A0A087XR15_POEFO Loading...

Glutamate decarboxylase 2

Catalyzes the production of GABA.

AlphaFold DB , UniProt , Accession A0A087XR15, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 586 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.9	Very low	25.1	Very low	240 Å²	240	137.6 Å²	137.6	100%	1.182	81%	0.814	S	S	*	*				0	86	0	-60.2	178.8	-158	0	0	105.6
2	A	24.3	Very low	25.1	Very low	94 Å²	94	141.1 Å²	141.1	78%	0.777	82%	0.816	S	S	*	*				43.1	117.6	67.6	0	0	0	0	0	109.4
3	S	24.7	Very low	25.2	Very low	103 Å²	103	141.8 Å²	141.8	72%	0.72	82%	0.815	S	S	*	*				178.1	132.2	50.6	50.6	0	0	0	0	107.8
4	H	27	Very low	25.2	Very low	197 Å²	197	139.1 Å²	139.1	91%	0.912	82%	0.818	S	S	*	*				91.1	139.8	93.3	-82.5	-66.4	0	0	0	118.5
5	G	23.5	Very low	25.1	Very low	66 Å²	66	135.2 Å²	135.2	68%	0.68	82%	0.819	S	S	*	*			trans	118.7	103	150.4	0	0	0	0	0	112.7
6	F	24	Very low	25.1	Very low	191 Å²	191	132.9 Å²	132.9	84%	0.838	82%	0.819	S	S	*	*			cis	53.9	103.6	33.2	-109.9	-77.9	0	0	0	114.8
7	W	24.2	Very low	25.2	Very low	231 Å²	231	134.5 Å²	134.5	88%	0.875	82%	0.821	S	S	*	*			trans	-141.3	121.3	148.2	-84	97.4	0	0	0	109.9	L9	W7-L9 HydrophobicContact CE3-CD1 4.13Å; W7-L9 HydrophobicContact CE3-CG 4.43Å; W7-L9 HydrophobicContact CZ3-CD1 3.8Å; W7-L9 HydrophobicContact CZ3-CG 4.37Å
8	S	22.5	Very low	25.2	Very low	96 Å²	96	134.8 Å²	134.8	67%	0.671	82%	0.824	S	S	*	*			trans	-128	132.5	161.8	154.9	0	0	0	0	105.6
9	L	25.2	Very low	25.3	Very low	148 Å²	148	131.9 Å²	131.9	78%	0.775	82%	0.824	S	S	*	*			trans	-145.7	123.3	160.4	-86.8	170.4	0	0	0	108.5	W7	W7-L9 HydrophobicContact CE3-CD1 4.13Å; W7-L9 HydrophobicContact CE3-CG 4.43Å; W7-L9 HydrophobicContact CZ3-CD1 3.8Å; W7-L9 HydrophobicContact CZ3-CG 4.37Å
10	G	21.7	Very low	25.3	Very low	75 Å²	75	131.3 Å²	131.3	77%	0.773	82%	0.824	S	S	*	*			trans	-76.8	-177.2	158.3	0	0	0	0	0	110.7
11	G	22.6	Very low	25.3	Very low	73 Å²	73	134.6 Å²	134.6	75%	0.753	83%	0.829	S	S	*	*			cis	-176.7	168.3	-0.2	0	0	0	0	0	109.1
12	E	25.9	Very low	24.8	Very low	179 Å²	179	127.9 Å²	127.9	84%	0.836	81%	0.806	S	S	*	*			trans	79.8	120.5	159.5	-63.8	-167.4	168.2	0	0	124.1
13	N	26.3	Very low	25	Very low	150 Å²	150	129.5 Å²	129.5	80%	0.802	81%	0.809	S	S	*	*			trans	67.6	109.6	138.1	-70.1	-22.2	0	0	0	122.8
14	A	25.3	Very low	25.4	Very low	104 Å²	104	129.2 Å²	129.2	86%	0.86	81%	0.807	S	S	*	*				176	139.4	111.1	0	0	0	0	0	110.3
15	G	23.1	Very low	25.6	Very low	81 Å²	81	125 Å²	125	84%	0.835	80%	0.795	S	S	*	*			trans	-73.8	159.6	-166.1	0	0	0	0	0	117.2
16	A	25.1	Very low	25.9	Very low	99 Å²	99	127 Å²	127	82%	0.818	80%	0.796	S	S	*	*			trans	-161.3	127.4	144.3	0	0	0	0	0	109.3
17	N	26.3	Very low	26.3	Very low	159 Å²	159	127.7 Å²	127.7	85%	0.85	79%	0.793	S	S	*	*			trans	-59.5	132	174	-156.3	7.1	0	0	0	110.9
18	T	25.4	Very low	26.6	Very low	141 Å²	141	119.9 Å²	119.9	87%	0.865	78%	0.778	S	S	*	*			trans	-172.1	125.5	146	31.4	0	0	0	0	109.5
19	G	27.9	Very low	27.1	Very low	80 Å²	80	125.8 Å²	125.8	83%	0.825	79%	0.785	S	S	*	*			trans	-72.1	149.4	-168.5	0	0	0	0	0	114.8
20	S	24.8	Very low	27.5	Very low	119 Å²	119	122.6 Å²	122.6	83%	0.832	78%	0.775	S	S	*	*			trans	-144.9	114.7	148.6	58.2	0	0	0	0	108.4
21	Q	26.5	Very low	27.9	Very low	200 Å²	200	125.9 Å²	125.9	94%	0.935	77%	0.77	S	S	*	*			trans	-76.5	124.2	173	-73.9	-178.8	-12.9	0	0	108.8
22	S	25.3	Very low	28.3	Very low	100 Å²	100	124.6 Å²	124.6	70%	0.699	75%	0.752	S	S	*	*			trans	-79.4	128.9	165.1	143.7	0	0	0	0	109.2
23	P	27.4	Very low	28.6	Very low	127 Å²	127	119.2 Å²	119.2	83%	0.825	74%	0.738	S	S	*	*			trans	-95	103.6	173.6	33.7	-25.4	0	0	0	110.1
24	S	32.8	Very low	28.8	Very low	97 Å²	97	116.1 Å²	116.1	68%	0.678	73%	0.734	S	S	*	*			trans	-139.8	98	159.6	63.9	0	0	0	0	109.1
25	T	31.1	Very low	29.1	Very low	109 Å²	109	119 Å²	119	67%	0.669	73%	0.729	S	S	*	*			trans	-151.7	143.3	165.5	9.4	0	0	0	0	111.1	R27	T25-R27 PolarHBondContact O-N 2.96Å
26	P	30.7	Very low	29.4	Very low	108 Å²	108	123.6 Å²	123.6	70%	0.701	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.8	-8	-178.7	-21.9	32.9	0	0	0	115.7	A28 W29	P26-A28 PolarHBondContact O-N 3.08Å; P26-W29 PolarHBondContact O-N 2.9Å
27	R	31.2	Very low	29.8	Very low	205 Å²	205	127 Å²	127	77%	0.774	73%	0.73	S	S	*	*	H	α-helix	trans	-62.4	-26.8	179.9	-112	176.1	177.3	165.4	-0.2	114.1	T25 W29 C30 Q31	T25-R27 PolarHBondContact O-N 2.96Å; R27-W29 VanDerWaalsContact C-N 3.29Å; R27-W29 PolarHBondContact O-N 3.41Å; R27-C30 PolarHBondContact O-N 2.98Å; R27-Q31 PolarHBondContact O-N 3.29Å
28	A	32.1	Very low	30.4	Very low	67 Å²	67	124.9 Å²	124.9	55%	0.554	73%	0.727	S	S	*	*	H	α-helix	trans	-69.6	-25	-179.7	0	0	0	0	0	113.1	P26 A32	P26-A28 PolarHBondContact O-N 3.08Å; A28-A32 WeakPolarHBondContact O-CB 3.36Å; A28-A32 PolarHBondContact O-N 3.47Å; A28-A32 VanDerWaalsContact O-N 3.16Å
29	W	31.5	Very low	30.7	Very low	221 Å²	221	121.1 Å²	121.1	84%	0.837	72%	0.717	S	S	*	*	H	α-helix	trans	-76	-38.7	175.7	-84.7	65.6	0	0	0	112.1	P26 R27 Q31 A32 A33	P26-W29 PolarHBondContact O-N 2.9Å; R27-W29 VanDerWaalsContact C-N 3.29Å; R27-W29 PolarHBondContact O-N 3.41Å; W29-Q31 PolarHBondContact O-N 3.48Å; W29-A32 PolarHBondContact O-N 3.46Å; W29-A33 WeakPolarHBondContact O-CB 3.44Å; W29-A33 PolarHBondContact O-N 3.17Å
30	C	33.9	Very low	31.1	Very low	81 Å²	81	120.9 Å²	120.9	55%	0.547	71%	0.714	S	S	.	*	H	α-helix	trans	-66.2	-37.7	178.4	-61.7	0	0	0	0	112.6	R27 A34	R27-C30 PolarHBondContact O-N 2.98Å; C30-A34 PolarHBondContact O-N 2.6Å
31	Q	30.4	Very low	31.4	Very low	143 Å²	143	121.9 Å²	121.9	67%	0.668	71%	0.709	S	S	*	*	H	α-helix	trans	-78.2	-31.1	176.2	-80.4	178.9	-28.2	0	0	113.2	R27 W29 Q35	R27-Q31 PolarHBondContact O-N 3.29Å; W29-Q31 PolarHBondContact O-N 3.48Å; Q31-Q35 PolarHBondContact O-N 2.98Å
32	A	32.1	Very low	31.7	Very low	47 Å²	47	115.3 Å²	115.3	39%	0.388	70%	0.695	S	S	.	*	H	α-helix	trans	-70.9	-34.6	174.7	0	0	0	0	0	112.5	A28 W29 Q35 K36	A28-A32 WeakPolarHBondContact O-CB 3.36Å; A28-A32 PolarHBondContact O-N 3.47Å; A28-A32 VanDerWaalsContact O-N 3.16Å; W29-A32 PolarHBondContact O-N 3.46Å; A32-Q35 PolarHBondContact O-N 3.45Å; A32-K36 WeakPolarHBondContact O-CB 3.2Å; A32-K36 PolarHBondContact O-N 3.38Å
33	A	31.3	Very low	32.1	Very low	65 Å²	65	114.6 Å²	114.6	54%	0.537	69%	0.69	S	S	.	*	H	α-helix	trans	-67.4	-36.4	175.3	0	0	0	0	0	112.4	W29 Q35	W29-A33 WeakPolarHBondContact O-CB 3.44Å; W29-A33 PolarHBondContact O-N 3.17Å; A33-Q35 VanDerWaalsContact C-N 3.35Å; A33-Q35 PolarHBondContact O-N 3.18Å
34	A	30.9	Very low	32.3	Very low	86 Å²	86	116.6 Å²	116.6	71%	0.711	69%	0.686	S	S	*	*	H	α-helix	trans	-76.1	-16.2	178.1	0	0	0	0	0	114.5	C30	C30-A34 PolarHBondContact O-N 2.6Å
35	Q	30.6	Very low	32.3	Very low	164 Å²	164	117.2 Å²	117.2	77%	0.766	68%	0.681	S	S	*	*	H	α-helix	trans	-116.3	1.1	-176.8	-75.7	-173.8	-19.5	0	0	115.3	Q31 A32 A33	Q31-Q35 PolarHBondContact O-N 2.98Å; A32-Q35 PolarHBondContact O-N 3.45Å; A33-Q35 VanDerWaalsContact C-N 3.35Å; A33-Q35 PolarHBondContact O-N 3.18Å
36	K	31	Very low	32.3	Very low	178 Å²	178	120.2 Å²	120.2	77%	0.774	68%	0.681	S	S	*	*			trans	-120.8	24.7	-178.2	-86.8	-175.3	171.4	-179.9	0	116.4	A32	A32-K36 WeakPolarHBondContact O-CB 3.2Å; A32-K36 PolarHBondContact O-N 3.38Å
37	L	32.9	Very low	32.3	Very low	171 Å²	171	121.7 Å²	121.7	90%	0.895	68%	0.679	S	S	*	*			trans	-101.7	29.6	169.6	-77.9	165.7	0	0	0	113.6
38	S	38.6	Very low	32.4	Very low	113 Å²	113	114.8 Å²	114.8	79%	0.79	67%	0.666	S	S	*	*	S	Bend	trans	-122.1	70.8	167.1	52.9	0	0	0	0	110.3
39	G	31.8	Very low	32.5	Very low	63 Å²	63	118.3 Å²	118.3	65%	0.649	68%	0.675	S	S	*	*	S	Bend	trans	-178.8	94.2	176.2	0	0	0	0	0	112.3	I41	G39-I41 PolarHBondContact O-N 2.66Å
40	G	35.8	Very low	32.7	Very low	75 Å²	75	113.5 Å²	113.5	77%	0.773	66%	0.664	S	S	*	*			trans	-62.6	122.8	-175.9	0	0	0	0	0	113.8
41	I	32.2	Very low	32.8	Very low	139 Å²	139	116.2 Å²	116.2	71%	0.713	67%	0.673	S	S	*	*			trans	-103.7	4	156.3	-63.7	165	0	0	0	110.2	G39	G39-I41 PolarHBondContact O-N 2.66Å
42	G	33.1	Very low	32.8	Very low	63 Å²	63	116 Å²	116	65%	0.649	68%	0.682	S	S	*	*	H	α-helix	trans	-73.9	-25.7	-179.2	0	0	0	0	0	115.7
43	S	32.1	Very low	32.9	Very low	85 Å²	85	116.9 Å²	116.9	59%	0.594	70%	0.695	S	S	*	*	H	α-helix	trans	-84	-26	-174.9	66.5	0	0	0	0	114.5
44	K	31.5	Very low	32.8	Very low	169 Å²	169	123.4 Å²	123.4	74%	0.735	72%	0.715	S	S	*	*	H	α-helix	trans	-81.5	-17.6	-177.9	-71.9	-171.4	175.6	-175.8	0	114.2
45	L	33.8	Very low	32.7	Very low	109 Å²	109	123.1 Å²	123.1	57%	0.571	72%	0.72	S	S	*	*	H	α-helix	trans	-83	-28.3	174.8	-94.5	149.6	0	0	0	112.4	A48 L49	L45-A48 PolarHBondContact O-N 3.18Å; L45-L49 PolarHBondContact O-N 3.26Å
46	Y	30.7	Very low	32.6	Very low	172 Å²	172	124 Å²	124	68%	0.675	72%	0.724	S	S	*	*	H	α-helix	trans	-70	-38.9	177.6	-161.6	-99.8	0	0	0	112.2	L50	Y46-L50 HydrophobicContact CD1-CD1 4.04Å; Y46-L50 HydrophobicContact CE1-CD1 3.85Å
47	E	30	Very low	32.5	Very low	139 Å²	139	124.3 Å²	124.3	65%	0.65	73%	0.726	S	S	*	*	H	α-helix	trans	-73.4	-30.2	174.3	-78.8	-177	156.3	0	0	113.4	L50	E47-L50 PolarHBondContact O-N 3.21Å
48	A	33.7	Very low	32.5	Very low	61 Å²	61	121.1 Å²	121.1	50%	0.504	72%	0.715	S	S	.	*	H	α-helix	trans	-74.5	-26.2	179.3	0	0	0	0	0	113.2	L45	L45-A48 PolarHBondContact O-N 3.18Å
49	L	35.3	Very low	32	Very low	141 Å²	141	121.9 Å²	121.9	74%	0.738	72%	0.715	S	S	*	*	H	α-helix	trans	-81.2	-17	175.6	-79.2	162	0	0	0	113.3	L45	L45-L49 PolarHBondContact O-N 3.26Å
50	L	35	Very low	31.8	Very low	119 Å²	119	127.6 Å²	127.6	62%	0.623	73%	0.725	S	S	*	*	H	α-helix	trans	-94.1	-15.5	179.7	-73	168.2	0	0	0	114	Y46 E47	Y46-L50 HydrophobicContact CD1-CD1 4.04Å; Y46-L50 HydrophobicContact CE1-CD1 3.85Å; E47-L50 PolarHBondContact O-N 3.21Å
51	N	34.9	Very low	31.9	Very low	138 Å²	138	129.3 Å²	129.3	74%	0.738	72%	0.722	S	S	*	*			trans	-117.9	57.4	-175.6	-77.1	-26.6	0	0	0	113.1
52	V	31.7	Very low	31.6	Very low	139 Å²	139	127.5 Å²	127.5	84%	0.842	73%	0.728	S	S	*	*			trans	-108.3	87.8	161.9	-174.4	0	0	0	0	108.4
53	G	32.9	Very low	31.3	Very low	65 Å²	65	129.2 Å²	129.2	67%	0.67	74%	0.737	S	S	*	*			trans	161.1	77.3	173.9	0	0	0	0	0	111.9
54	E	29.6	Very low	31.2	Very low	203 Å²	203	135.2 Å²	135.2	95%	0.949	75%	0.752	S	S	*	*			trans	-179	142.9	139.5	-99.2	171	-164.2	0	0	110.8
55	G	28.8	Very low	31.1	Very low	80 Å²	80	136.4 Å²	136.4	83%	0.825	76%	0.76	S	S	*	*			trans	-83.7	174.1	-163.5	0	0	0	0	0	116.9
56	E	29.6	Very low	30.9	Very low	181 Å²	181	136.3 Å²	136.3	85%	0.846	77%	0.766	S	S	*	*			trans	-65.9	148	-170.7	-58.4	177.1	140.7	0	0	117.3
57	K	27.7	Very low	31.1	Very low	186 Å²	186	134.2 Å²	134.2	81%	0.809	77%	0.773	S	S	*	*				145.4	163.2	125.2	-81.6	-171.6	177.7	177.2	0	113.9
58	P	32.8	Very low	31	Very low	104 Å²	104	137 Å²	137	68%	0.675	79%	0.786	S	S	*	*				-133.3	158.8	-73.1	34.7	-13.3	0	0	0	115.9
59	T	28.2	Very low	30.8	Very low	129 Å²	129	140.6 Å²	140.6	79%	0.791	80%	0.802	S	S	*	*			trans	49.6	138.8	148.7	54.2	0	0	0	0	121
60	E	27.4	Very low	30.5	Very low	182 Å²	182	138.6 Å²	138.6	85%	0.85	81%	0.806	S	S	*	*			cis	-176.8	-167.6	42.3	-134.5	-170.5	-156.2	0	0	111.2
61	P	38.6	Very low	30.1	Very low	111 Å²	111	138 Å²	138	72%	0.721	82%	0.818	S	S	*	*				-122.6	162.6	-125.5	40.8	-21.5	0	0	0	117.7
62	A	26.3	Very low	30	Very low	101 Å²	101	134.8 Å²	134.8	84%	0.835	82%	0.818	S	S	*	*			trans	-178.5	153.7	158.8	0	0	0	0	0	109.2
63	A	27.4	Very low	29.7	Very low	100 Å²	100	134 Å²	134	83%	0.826	82%	0.819	S	S	*	*			cis	-165.3	150.5	-16.3	0	0	0	0	0	105.2
64	K	30.1	Very low	29.7	Very low	211 Å²	211	136.6 Å²	136.6	92%	0.917	83%	0.825	S	S	*	*			trans	-79.2	140	176.9	-77.6	176.4	174	176.4	0	111.8
65	Q	28.2	Very low	30	Very low	194 Å²	194	131 Å²	131	91%	0.907	82%	0.822	S	S	*	*			trans	-160.9	163.5	148.5	-104.2	-165.9	10.5	0	0	111.9
66	P	30.7	Very low	30.4	Very low	107 Å²	107	130.6 Å²	130.6	70%	0.695	81%	0.806	S	S	*	*				-106.8	-177.6	-126.6	44.8	-37.9	0	0	0	114.3
67	P	33.6	Very low	31	Very low	127 Å²	127	130.3 Å²	130.3	83%	0.825	81%	0.81	S	S	*	*			trans	-86.7	141.4	-161.1	34.9	-30.3	0	0	0	112.7
68	Q	28.4	Very low	31.6	Very low	197 Å²	197	130 Å²	130	92%	0.921	81%	0.809	S	S	*	*			trans	-126.1	137.4	165.6	-79.3	-173.9	-7	0	0	111
69	T	28.8	Very low	31.7	Very low	138 Å²	138	130.7 Å²	130.7	85%	0.847	82%	0.816	S	S	*	*			trans	-84.3	145.2	-176.4	41.9	0	0	0	0	113.2
70	A	29.2	Very low	32.1	Very low	98 Å²	98	129.3 Å²	129.3	81%	0.81	81%	0.81	S	S	*	*			trans	74.8	127.3	143.4	0	0	0	0	0	121.5
71	A	28.2	Very low	32.5	Very low	106 Å²	106	126.6 Å²	126.6	88%	0.876	81%	0.806	S	S	*	*			trans	79.4	113.2	145.7	0	0	0	0	0	120
72	G	30.9	Very low	32.3	Very low	72 Å²	72	126.7 Å²	126.7	74%	0.742	81%	0.808	S	S	*	*			trans	121	117.6	130	0	0	0	0	0	118.4
73	S	26.7	Very low	32.8	Very low	123 Å²	123	126.8 Å²	126.8	86%	0.86	80%	0.799	S	S	*	*			trans	92.2	106.2	152.4	87	0	0	0	0	118.4
74	C	33.3	Very low	33.4	Very low	118 Å²	118	131.8 Å²	131.8	80%	0.797	80%	0.802	S	S	*	*			trans	-80.4	109.3	160.1	177.1	0	0	0	0	108	C76	C74-C76 VanDerWaalsContact C-N 3.34Å; C74-C76 PolarHBondContact O-N 3.01Å
75	G	36	Very low	33.9	Very low	86 Å²	86	125.3 Å²	125.3	89%	0.887	80%	0.795	S	S	*	*			trans	-83.4	68.4	175.2	0	0	0	0	0	112.5
76	C	37.2	Very low	34.7	Very low	71 Å²	71	120.1 Å²	120.1	48%	0.48	78%	0.776	S	S	.	*			trans	-132.1	109.1	177	149.3	0	0	0	0	109.8	C74 K78	C74-C76 VanDerWaalsContact C-N 3.34Å; C74-C76 PolarHBondContact O-N 3.01Å; C76-K78 VanDerWaalsContact C-N 3.32Å; C76-K78 PolarHBondContact O-N 3.32Å
77	N	41.4	Very low	36.1	Very low	176 Å²	176	123.2 Å²	123.2	94%	0.941	79%	0.787	S	S	*	*			trans	-96.4	45.9	178.7	-135.2	15.3	0	0	0	111.6
78	K	40.5	Very low	37.9	Very low	180 Å²	180	118.7 Å²	118.7	78%	0.783	76%	0.757	S	S	*	*	S	Bend	trans	-130.1	137.6	169.7	-74.8	-176.1	177.2	-179.7	0	108.2	C76 C80	C76-K78 VanDerWaalsContact C-N 3.32Å; C76-K78 PolarHBondContact O-N 3.32Å; K78-C80 PolarHBondContact O-N 2.85Å
79	S	34.5	Very low	40.5	Very low	118 Å²	118	111.8 Å²	111.8	83%	0.825	74%	0.739	S	S	*	*			trans	-60	100	-179.7	56.5	0	0	0	0	110.1	T81	S79-T81 PolarHBondContact O-N 3.22Å
80	C	35.8	Very low	43.7	Very low	100 Å²	100	106.1 Å²	106.1	68%	0.676	70%	0.702	S	S	*	*			trans	-86.1	97.9	175.5	-159.1	0	0	0	0	107.7	K78 C82	K78-C80 PolarHBondContact O-N 2.85Å; C80-C82 PolarHBondContact O-N 2.92Å; C80-C82 VanDerWaalsContact O-N 3.09Å
81	T	37.5	Very low	46.8	Very low	124 Å²	124	104.6 Å²	104.6	76%	0.761	69%	0.686	S	S	*	*			trans	-81.7	68	170	42.6	0	0	0	0	109.6	S79 T83	S79-T81 PolarHBondContact O-N 3.22Å; T81-T83 VanDerWaalsContact C-N 3.28Å; T81-T83 PolarHBondContact O-N 3.06Å
82	C	33.2	Very low	50	Low	113 Å²	113	105.5 Å²	105.5	76%	0.764	68%	0.676	S	S	*	*			trans	-83.7	80.4	158.6	-68.6	0	0	0	0	107.4	C80 K84	C80-C82 PolarHBondContact O-N 2.92Å; C80-C82 VanDerWaalsContact O-N 3.09Å; C82-K84 PolarHBondContact O-N 3.4Å
83	T	36.7	Very low	53.1	Low	103 Å²	103	103.2 Å²	103.2	63%	0.632	65%	0.646	S	S	*	*			trans	-71	113.7	170.9	24.1	0	0	0	0	109.3	T81 G85	T81-T83 VanDerWaalsContact C-N 3.28Å; T81-T83 PolarHBondContact O-N 3.06Å; T83-G85 PolarHBondContact O-N 3.09Å
84	K	39.5	Very low	56.5	Low	206 Å²	206	101.2 Å²	101.2	90%	0.896	62%	0.62	S	S	*	*	S	Bend	trans	-54.9	123.9	149.3	-77.6	177.5	172.3	179.8	0	107.5	C82	C82-K84 PolarHBondContact O-N 3.4Å
85	G	41.4	Very low	59.6	Low	74 Å²	74	99.5 Å²	99.5	76%	0.763	61%	0.61	S	S	*	*			trans	48.1	84	164.4	0	0	0	0	0	115.5	T83 D87	T83-G85 PolarHBondContact O-N 3.09Å; G85-D87 PolarHBondContact O-N 3.31Å
86	T	45.9	Very low	62.5	Low	86 Å²	86	100.7 Å²	100.7	53%	0.528	60%	0.6	S	S	.	*			trans	-66.8	110.4	151.7	41.9	0	0	0	0	107.1	V88	T86-V88 VanDerWaalsContact C-N 3.31Å; T86-V88 PolarHBondContact O-N 3.49Å
87	D	60.2	Low	65.4	Low	172 Å²	172	99.3 Å²	99.3	92%	0.92	59%	0.588	S	S	*	*			trans	-59.7	94.9	166.4	-121.8	-12.5	0	0	0	107.1	G85 G89	G85-D87 PolarHBondContact O-N 3.31Å; D87-G89 PolarHBondContact O-N 3.29Å
88	V	69.8	Low	68.1	Low	32 Å²	32	92 Å²	92	19%	0.194	55%	0.549	C	S	.	.			trans	-79.8	103.8	174.1	-179.3	0	0	0	0	106.1	T86 F90 L93 T110	T86-V88 VanDerWaalsContact C-N 3.31Å; T86-V88 PolarHBondContact O-N 3.49Å; V88-F90 HydrophobicContact CG1-CE1 4.2Å; V88-L93 HydrophobicContact CG1-CD1 3.51Å; V88-T110 HydrophobicContact CB-CG2 4.36Å
89	G	84.5	Confident	70.9	Confident	52 Å²	52	87.3 Å²	87.3	54%	0.536	53%	0.532	S	S	.	.			trans	-68.6	129	172	0	0	0	0	0	110.6	D87 L93	D87-G89 PolarHBondContact O-N 3.29Å; G89-L93 WeakPolarHBondContact O-CD1 3.45Å; G89-L93 WeakPolarHBondContact O-CG 3.29Å
90	F	94.9	Very high	73.9	Confident	19 Å²	19	88 Å²	88	8%	0.083	53%	0.534	C	S	.	.			trans	-93	-4.2	179.1	-66	-65.5	0	0	0	114.1	V88 D92 L93 T110 F111 E114 L157 D158 L161	V88-F90 HydrophobicContact CG1-CE1 4.2Å; F90-D92 PolarHBondContact O-N 2.97Å; F90-L93 HydrophobicContact CD1-CD1 3.99Å; F90-L93 HydrophobicContact CE1-CD1 4.39Å; F90-L93 PolarHBondContact O-N 2.89Å; F90-T110 HydrophobicContact CE2-CG2 4.35Å; F90-T110 HydrophobicContact CZ-CG2 3.8Å; F90-F111 HydrophobicContact CE1-CB 3.81Å; F90-F111 HydrophobicContact CE1-CD2 4.34Å; F90-F111 HydrophobicContact CZ-CB 4.16Å; F90-E114 HydrophobicContact CE2-CG 3.83Å; F90-E114 HydrophobicContact CZ-CG 4.36Å; F90-L157 HydrophobicContact CB-CB 3.99Å; F90-L157 HydrophobicContact CD1-CB 3.84Å; F90-L157 HydrophobicContact CD1-CD1 3.99Å; F90-L157 HydrophobicContact CE1-CD1 4.41Å; F90-L157 HydrophobicContact CG-CB 4.25Å; F90-D158 HydrophobicContact CB-CB 3.92Å; F90-D158 PolarHBondContact O-N 3.02Å; F90-L161 HydrophobicContact CD2-CD1 3.83Å; F90-L161 HydrophobicContact CE2-CD1 4.18Å; F90-L161 HydrophobicContact CG-CD1 4.32Å
91	S	94.4	Very high	76.8	Confident	65 Å²	65	84.6 Å²	84.6	46%	0.455	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-24.1	-177.5	53.6	0	0	0	0	114.1	T156	S91-T156 WeakPolarHBondContact O-CG2 3.48Å
92	D	95.3	Very high	79.5	Confident	126 Å²	126	87.3 Å²	87.3	67%	0.674	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.8	13.1	-178.2	-57.1	-65.7	0	0	0	112.1	F90	F90-D92 PolarHBondContact O-N 2.97Å
93	L	97.2	Very high	82.4	Confident	23 Å²	23	86.9 Å²	86.9	12%	0.12	51%	0.512	C	S	.	.			trans	-105.8	144.9	177.6	-65.3	-178.3	0	0	0	110.7	V88 G89 F90 D97 K107 T156 L157	V88-L93 HydrophobicContact CG1-CD1 3.51Å; G89-L93 WeakPolarHBondContact O-CD1 3.45Å; G89-L93 WeakPolarHBondContact O-CG 3.29Å; F90-L93 HydrophobicContact CD1-CD1 3.99Å; F90-L93 HydrophobicContact CE1-CD1 4.39Å; F90-L93 PolarHBondContact O-N 2.89Å; L93-D97 HydrophobicContact CD2-CB 4.17Å; L93-K107 HydrophobicContact CD1-CD 4.3Å; L93-K107 HydrophobicContact CD1-CG 4.21Å; L93-K107 HydrophobicContact CD2-CD 4.07Å; L93-T156 CarbonylContact O-C 3.5Å; L93-T156 WeakPolarHBondContact O-CA 3.43Å; L93-L157 HydrophobicContact CB-CB 4.47Å; L93-L157 HydrophobicContact CB-CD1 3.81Å; L93-L157 HydrophobicContact CB-CG 4.19Å; L93-L157 PolarHBondContact O-N 2.93Å
94	Y	97.9	Very high	85.2	Confident	81 Å²	81	82 Å²	82	32%	0.318	48%	0.482	S	S	.	.			trans	-125.3	171.1	-179.4	-59.6	-89.6	0	0	0	110.9	T96 D97 P154 T156	Y94-T96 PolarHBondContact O-N 2.6Å; Y94-T96 VanDerWaalsContact O-N 3.14Å; Y94-D97 PolarHBondContact N-OD2 3.4Å; Y94-D97 WeakPolarHBondContact O-CB 3.32Å; Y94-D97 PolarHBondContact O-N 3.17Å; Y94-P154 HydrophobicContact CD1-CB 3.97Å; Y94-P154 HydrophobicContact CD1-CG 3.78Å; Y94-P154 HydrophobicContact CE1-CG 4.13Å; Y94-T156 HydrophobicContact CE1-CG2 3.96Å
95	S	97.4	Very high	88	Confident	82 Å²	82	76.6 Å²	76.6	57%	0.573	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-56.5	-30	176.7	63	0	0	0	0	113.3	D97 L98	S95-D97 PolarHBondContact O-N 2.98Å; S95-L98 WeakPolarHBondContact O-CB 3.42Å; S95-L98 PolarHBondContact O-N 3.28Å
96	T	97.8	Very high	90.6	Very high	112 Å²	112	77.1 Å²	77.1	69%	0.687	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-71.1	-15.5	177.4	49.1	0	0	0	0	114	Y94 A101	Y94-T96 PolarHBondContact O-N 2.6Å; Y94-T96 VanDerWaalsContact O-N 3.14Å; T96-A101 WeakPolarHBondContact O-CB 3.3Å
97	D	97.8	Very high	93	Very high	42 Å²	42	74.7 Å²	74.7	23%	0.225	43%	0.433	C	S	.	.	G	3₁₀ helix	trans	-86.8	-9.6	175.5	-60.9	-65.6	0	0	0	112.6	L93 Y94 S95 G104 K107	L93-D97 HydrophobicContact CD2-CB 4.17Å; Y94-D97 PolarHBondContact N-OD2 3.4Å; Y94-D97 WeakPolarHBondContact O-CB 3.32Å; Y94-D97 PolarHBondContact O-N 3.17Å; S95-D97 PolarHBondContact O-N 2.98Å; D97-G104 VanDerWaalsContact O-CA 3.26Å; D97-G104 WeakPolarHBondContact O-CA 3.45Å; D97-K107 HydrophobicContact CB-CD 4Å; D97-K107 WeakPolarHBondContact O-CD 3.42Å
98	L	98.1	Very high	94.8	Very high	23 Å²	23	67.2 Å²	67.2	12%	0.12	39%	0.394	C	S	.	.	S	Bend	trans	-84.4	170.9	175.2	-55.8	-172.4	0	0	0	110.6	S95 A101 K107 T108 F111 L157	S95-L98 WeakPolarHBondContact O-CB 3.42Å; S95-L98 PolarHBondContact O-N 3.28Å; L98-A101 WeakPolarHBondContact O-CB 3.43Å; L98-A101 PolarHBondContact O-N 3.15Å; L98-K107 HydrophobicContact CD2-CB 3.96Å; L98-T108 WeakPolarHBondContact CA-OG1 3.39Å; L98-F111 HydrophobicContact CD1-CD1 3.83Å; L98-F111 HydrophobicContact CD1-CE1 4.23Å; L98-F111 HydrophobicContact CD1-CG 4.32Å; L98-F111 HydrophobicContact CD2-CB 4.41Å; L98-L157 HydrophobicContact CD1-CD1 4.13Å; L98-L157 HydrophobicContact CD1-CD2 4.01Å; L98-L157 HydrophobicContact CD2-CD1 3.58Å; L98-L157 HydrophobicContact CG-CD1 3.96Å; L98-L157 HydrophobicContact CG-CD2 4.49Å
99	L	98	Very high	96.1	Very high	80 Å²	80	71.4 Å²	71.4	42%	0.419	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	132.8	171.9	-75.7	174.6	0	0	0	110	T108	L99-T108 HydrophobicContact CB-CG2 4.46Å; L99-T108 HydrophobicContact CD1-CG2 4.26Å; L99-T108 HydrophobicContact CG-CG2 4.47Å; L99-T108 PolarHBondContact N-OG1 3.31Å
100	P	97.9	Very high	96.8	Very high	134 Å²	134	71 Å²	71	87%	0.87	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	cis	-94.4	21.1	20	38	-37.9	0	0	0	116.4
101	A	97.4	Very high	96.9	Very high	27 Å²	27	71.2 Å²	71.2	22%	0.223	40%	0.401	C	S	.	.	S	Bend	trans	-57.8	145.6	173.5	0	0	0	0	0	112.3	T96 L98 D103 G104	T96-A101 WeakPolarHBondContact O-CB 3.3Å; L98-A101 WeakPolarHBondContact O-CB 3.43Å; L98-A101 PolarHBondContact O-N 3.15Å; A101-D103 VanDerWaalsContact C-N 3.26Å; A101-D103 PolarHBondContact O-N 3.32Å; A101-G104 PolarHBondContact O-N 2.84Å
102	L	94.6	Very high	97.1	Very high	182 Å²	182	72.4 Å²	72.4	95%	0.953	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-30.3	-172.9	-73.5	171.2	0	0	0	114.2
103	D	93.7	Very high	97.3	Very high	104 Å²	104	71.2 Å²	71.2	56%	0.556	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.1	20	177.1	70.8	-31.1	0	0	0	111.9	A101 K107	A101-D103 VanDerWaalsContact C-N 3.26Å; A101-D103 PolarHBondContact O-N 3.32Å; D103-K107 VanDerWaalsContact CG-NZ 3.34Å; D103-K107 IonicContact OD1-NZ 3.63Å; D103-K107 PolarHBondContact OD1-NZ 3.21Å; D103-K107 IonicContact OD2-NZ 2.64Å; D103-K107 PolarHBondContact OD2-NZ 3.44Å
104	G	96.3	Very high	97.3	Very high	0 Å²	0	73.2 Å²	73.2	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-81.7	-10.3	-172.1	0	0	0	0	0	115.3	D97 A101 K107 T108	D97-G104 VanDerWaalsContact O-CA 3.26Å; D97-G104 WeakPolarHBondContact O-CA 3.45Å; A101-G104 PolarHBondContact O-N 2.84Å; G104-K107 PolarHBondContact O-N 3.17Å; G104-T108 VanDerWaalsContact O-CB 3.24Å; G104-T108 WeakPolarHBondContact O-CB 3.21Å; G104-T108 PolarHBondContact O-N 3.21Å; G104-T108 PolarHBondContact O-OG1 2.97Å
105	D	96.6	Very high	97.3	Very high	92 Å²	92	70.9 Å²	70.9	49%	0.492	40%	0.395	S	S	.	.	H	α-helix	trans	-56.9	-59.1	-172.8	-70.2	-59.4	0	0	0	113	K107 T108 M109	D105-K107 PolarHBondContact O-N 3.24Å; D105-T108 PolarHBondContact O-N 3.11Å; D105-M109 WeakPolarHBondContact O-CG 3.44Å; D105-M109 PolarHBondContact O-N 3.07Å
106	T	96.6	Very high	97.4	Very high	85 Å²	85	69.3 Å²	69.3	52%	0.521	38%	0.382	S	S	.	.	H	α-helix	trans	-64.7	-42.7	-177.8	-55.5	0	0	0	0	111.2	T108 M109 T110	T106-T108 VanDerWaalsContact C-N 3.31Å; T106-T108 PolarHBondContact O-N 3.41Å; T106-M109 PolarHBondContact O-N 2.71Å; T106-T110 PolarHBondContact O-N 2.79Å; T106-T110 PolarHBondContact O-OG1 3.21Å; T106-T110 VanDerWaalsContact O-OG1 3.06Å
107	K	96.9	Very high	97.4	Very high	35 Å²	35	67.6 Å²	67.6	15%	0.152	37%	0.368	C	S	.	.	H	α-helix	trans	-59.5	-43.2	178.5	-60.1	172.6	-167.7	162	0	111	L93 D97 L98 D103 G104 D105 F111	L93-K107 HydrophobicContact CD1-CD 4.3Å; L93-K107 HydrophobicContact CD1-CG 4.21Å; L93-K107 HydrophobicContact CD2-CD 4.07Å; D97-K107 HydrophobicContact CB-CD 4Å; D97-K107 WeakPolarHBondContact O-CD 3.42Å; L98-K107 HydrophobicContact CD2-CB 3.96Å; D103-K107 VanDerWaalsContact CG-NZ 3.34Å; D103-K107 IonicContact OD1-NZ 3.63Å; D103-K107 PolarHBondContact OD1-NZ 3.21Å; D103-K107 IonicContact OD2-NZ 2.64Å; D103-K107 PolarHBondContact OD2-NZ 3.44Å; G104-K107 PolarHBondContact O-N 3.17Å; D105-K107 PolarHBondContact O-N 3.24Å; K107-F111 VanDerWaalsContact O-CB 3.26Å; K107-F111 WeakPolarHBondContact O-CB 3.48Å; K107-F111 PolarHBondContact O-N 3.2Å
108	T	98.1	Very high	97.5	Very high	15 Å²	15	66 Å²	66	9%	0.092	36%	0.36	C	S	.	.	H	α-helix	trans	-63.9	-49	177.6	-56.9	0	0	0	0	111.6	L98 L99 G104 D105 T106 T110 F111 L112	L98-T108 WeakPolarHBondContact CA-OG1 3.39Å; L99-T108 HydrophobicContact CB-CG2 4.46Å; L99-T108 HydrophobicContact CD1-CG2 4.26Å; L99-T108 HydrophobicContact CG-CG2 4.47Å; L99-T108 PolarHBondContact N-OG1 3.31Å; G104-T108 VanDerWaalsContact O-CB 3.24Å; G104-T108 WeakPolarHBondContact O-CB 3.21Å; G104-T108 PolarHBondContact O-N 3.21Å; G104-T108 PolarHBondContact O-OG1 2.97Å; D105-T108 PolarHBondContact O-N 3.11Å; T106-T108 VanDerWaalsContact C-N 3.31Å; T106-T108 PolarHBondContact O-N 3.41Å; T108-T110 PolarHBondContact O-N 2.9Å; T108-F111 PolarHBondContact O-N 3.43Å; T108-L112 HydrophobicContact CG2-CD1 3.88Å; T108-L112 HydrophobicContact CG2-CG 4.33Å; T108-L112 WeakPolarHBondContact O-CB 3.34Å; T108-L112 VanDerWaalsContact O-CG 3.3Å; T108-L112 WeakPolarHBondContact O-CG 3.22Å; T108-L112 PolarHBondContact O-N 2.99Å
109	M	97.8	Very high	97.5	Very high	120 Å²	120	67.4 Å²	67.4	59%	0.591	37%	0.367	S	S	*	.	H	α-helix	trans	-64.8	-41.6	-178	-66.5	-61.3	165.1	0	0	111.8	D105 T106 Q113	D105-M109 WeakPolarHBondContact O-CG 3.44Å; D105-M109 PolarHBondContact O-N 3.07Å; T106-M109 PolarHBondContact O-N 2.71Å; M109-Q113 WeakPolarHBondContact O-CB 3.28Å; M109-Q113 PolarHBondContact O-N 2.88Å
110	T	97.6	Very high	97.5	Very high	43 Å²	43	68 Å²	68	26%	0.264	37%	0.369	S	S	.	.	H	α-helix	trans	-66.9	-44.4	176.8	-53.6	0	0	0	0	111.3	V88 F90 T106 T108 L112 Q113 E114	V88-T110 HydrophobicContact CB-CG2 4.36Å; F90-T110 HydrophobicContact CE2-CG2 4.35Å; F90-T110 HydrophobicContact CZ-CG2 3.8Å; T106-T110 PolarHBondContact O-N 2.79Å; T106-T110 PolarHBondContact O-OG1 3.21Å; T106-T110 VanDerWaalsContact O-OG1 3.06Å; T108-T110 PolarHBondContact O-N 2.9Å; T110-L112 PolarHBondContact O-N 2.87Å; T110-Q113 PolarHBondContact O-N 2.82Å; T110-E114 PolarHBondContact O-N 3.08Å
111	F	98.3	Very high	97.5	Very high	25 Å²	25	64.2 Å²	64.2	11%	0.11	35%	0.348	C	S	.	.	H	α-helix	trans	-59.8	-47.1	176.9	174.2	-104.7	0	0	0	112.1	F90 L98 K107 T108 Q113 E114 V115 L157 I160 L161	F90-F111 HydrophobicContact CE1-CB 3.81Å; F90-F111 HydrophobicContact CE1-CD2 4.34Å; F90-F111 HydrophobicContact CZ-CB 4.16Å; L98-F111 HydrophobicContact CD1-CD1 3.83Å; L98-F111 HydrophobicContact CD1-CE1 4.23Å; L98-F111 HydrophobicContact CD1-CG 4.32Å; L98-F111 HydrophobicContact CD2-CB 4.41Å; K107-F111 VanDerWaalsContact O-CB 3.26Å; K107-F111 WeakPolarHBondContact O-CB 3.48Å; K107-F111 PolarHBondContact O-N 3.2Å; T108-F111 PolarHBondContact O-N 3.43Å; F111-Q113 VanDerWaalsContact C-N 3.3Å; F111-Q113 PolarHBondContact O-N 2.95Å; F111-E114 PolarHBondContact O-N 3.31Å; F111-V115 HydrophobicContact CE1-CG2 4.12Å; F111-V115 HydrophobicContact CE2-CG2 4.3Å; F111-V115 HydrophobicContact CZ-CG2 3.97Å; F111-V115 WeakPolarHBondContact O-CG2 3.41Å; F111-V115 PolarHBondContact O-N 3.44Å; F111-L157 HydrophobicContact CD2-CB 4.03Å; F111-L157 HydrophobicContact CD2-CD1 4.18Å; F111-L157 HydrophobicContact CD2-CD2 4.19Å; F111-L157 HydrophobicContact CD2-CG 4.36Å; F111-L157 HydrophobicContact CE2-CB 4.1Å; F111-L157 HydrophobicContact CE2-CD2 3.96Å; F111-L157 HydrophobicContact CE2-CG 4.47Å; F111-L157 HydrophobicContact CG-CD1 4.39Å; F111-L157 HydrophobicContact CZ-CD2 4.22Å; F111-I160 HydrophobicContact CE2-CB 4.5Å; F111-I160 HydrophobicContact CE2-CG2 4.26Å; F111-I160 HydrophobicContact CZ-CG2 3.88Å; F111-L161 HydrophobicContact CD2-CD1 4.47Å; F111-L161 HydrophobicContact CD2-CD2 4.12Å; F111-L161 HydrophobicContact CD2-CG 4.25Å; F111-L161 HydrophobicContact CE2-CD2 3.79Å; F111-L161 HydrophobicContact CE2-CG 3.91Å
112	L	98.4	Very high	97.6	Very high	89 Å²	89	64.8 Å²	64.8	47%	0.466	35%	0.345	S	S	.	.	H	α-helix	trans	-63.6	-36.7	177.8	-70	176.5	0	0	0	112	T108 T110 V115 V116	T108-L112 HydrophobicContact CG2-CD1 3.88Å; T108-L112 HydrophobicContact CG2-CG 4.33Å; T108-L112 WeakPolarHBondContact O-CB 3.34Å; T108-L112 VanDerWaalsContact O-CG 3.3Å; T108-L112 WeakPolarHBondContact O-CG 3.22Å; T108-L112 PolarHBondContact O-N 2.99Å; T110-L112 PolarHBondContact O-N 2.87Å; L112-V115 PolarHBondContact O-N 2.91Å; L112-V116 WeakPolarHBondContact O-CG2 3.41Å; L112-V116 PolarHBondContact O-N 3.38Å
113	Q	98.2	Very high	97.7	Very high	101 Å²	101	57 Å²	57	47%	0.472	30%	0.304	S	S	.	.	H	α-helix	trans	-64.2	-42.5	175.5	-174	60.1	57.8	0	0	111.7	M109 T110 F111 V115 V116 D117	M109-Q113 WeakPolarHBondContact O-CB 3.28Å; M109-Q113 PolarHBondContact O-N 2.88Å; T110-Q113 PolarHBondContact O-N 2.82Å; F111-Q113 VanDerWaalsContact C-N 3.3Å; F111-Q113 PolarHBondContact O-N 2.95Å; Q113-V115 VanDerWaalsContact C-N 3.33Å; Q113-V115 PolarHBondContact O-N 3.38Å; Q113-V116 CarbonylContact O-C 3.58Å; Q113-V116 WeakPolarHBondContact O-CB 3.25Å; Q113-V116 PolarHBondContact O-N 3.21Å; Q113-V116 VanDerWaalsContact O-N 3.13Å; Q113-D117 PolarHBondContact NE2-OD1 3.24Å; Q113-D117 VanDerWaalsContact O-CG 3.28Å; Q113-D117 PolarHBondContact O-N 2.9Å
114	E	98.4	Very high	97.9	Very high	65 Å²	65	56.6 Å²	56.6	30%	0.304	31%	0.305	S	S	.	.	H	α-helix	trans	-61.5	-41.2	175.1	-74.4	-62.4	147.5	0	0	112.2	F90 T110 F111 V116 D117 I118 L161 R165	F90-E114 HydrophobicContact CE2-CG 3.83Å; F90-E114 HydrophobicContact CZ-CG 4.36Å; T110-E114 PolarHBondContact O-N 3.08Å; F111-E114 PolarHBondContact O-N 3.31Å; E114-V116 VanDerWaalsContact C-N 3.34Å; E114-D117 PolarHBondContact O-N 3.47Å; E114-I118 WeakPolarHBondContact O-CG1 3.47Å; E114-I118 PolarHBondContact O-N 3.23Å; E114-L161 HydrophobicContact CB-CD1 3.97Å; E114-L161 HydrophobicContact CB-CD2 3.91Å; E114-L161 HydrophobicContact CG-CD1 4.36Å; E114-R165 IonicContact OE2-NH2 3.89Å
115	V	98.6	Very high	97.9	Very high	32 Å²	32	60.8 Å²	60.8	19%	0.194	33%	0.325	C	S	.	.	H	α-helix	trans	-60.7	-45.8	172.7	175	0	0	0	0	110.4	F111 L112 Q113 D117 I118 L119 L161	F111-V115 HydrophobicContact CE1-CG2 4.12Å; F111-V115 HydrophobicContact CE2-CG2 4.3Å; F111-V115 HydrophobicContact CZ-CG2 3.97Å; F111-V115 WeakPolarHBondContact O-CG2 3.41Å; F111-V115 PolarHBondContact O-N 3.44Å; L112-V115 PolarHBondContact O-N 2.91Å; Q113-V115 VanDerWaalsContact C-N 3.33Å; Q113-V115 PolarHBondContact O-N 3.38Å; V115-D117 VanDerWaalsContact C-N 3.31Å; V115-D117 PolarHBondContact O-N 3.12Å; V115-I118 WeakPolarHBondContact O-CB 3.42Å; V115-I118 PolarHBondContact O-N 3.13Å; V115-L119 HydrophobicContact CG1-CD1 4.34Å; V115-L119 WeakPolarHBondContact O-CG 3.49Å; V115-L119 PolarHBondContact O-N 3.4Å; V115-L161 HydrophobicContact CG2-CD2 3.62Å
116	V	98.6	Very high	98	Very high	50 Å²	50	56.4 Å²	56.4	30%	0.303	30%	0.301	S	S	.	.	H	α-helix	trans	-60.4	-40.8	176.8	168.4	0	0	0	0	111.3	L112 Q113 E114 I118 L119 M120	L112-V116 WeakPolarHBondContact O-CG2 3.41Å; L112-V116 PolarHBondContact O-N 3.38Å; Q113-V116 CarbonylContact O-C 3.58Å; Q113-V116 WeakPolarHBondContact O-CB 3.25Å; Q113-V116 PolarHBondContact O-N 3.21Å; Q113-V116 VanDerWaalsContact O-N 3.13Å; E114-V116 VanDerWaalsContact C-N 3.34Å; V116-I118 VanDerWaalsContact C-N 3.34Å; V116-I118 PolarHBondContact O-N 3.41Å; V116-L119 WeakPolarHBondContact O-CB 3.22Å; V116-L119 PolarHBondContact O-N 3.13Å; V116-L119 VanDerWaalsContact O-N 3.11Å; V116-M120 HydrophobicContact CG1-CG 4.06Å; V116-M120 VanDerWaalsContact O-CG 3.26Å; V116-M120 WeakPolarHBondContact O-CG 3.31Å; V116-M120 PolarHBondContact O-N 2.86Å
117	D	98.4	Very high	98	Very high	76 Å²	76	55.7 Å²	55.7	41%	0.406	29%	0.291	S	S	.	.	H	α-helix	trans	-65.2	-38.1	179.3	-69	-14.1	0	0	0	111.7	Q113 E114 V115 M120 A121	Q113-D117 PolarHBondContact NE2-OD1 3.24Å; Q113-D117 VanDerWaalsContact O-CG 3.28Å; Q113-D117 PolarHBondContact O-N 2.9Å; E114-D117 PolarHBondContact O-N 3.47Å; V115-D117 VanDerWaalsContact C-N 3.31Å; V115-D117 PolarHBondContact O-N 3.12Å; D117-M120 PolarHBondContact O-N 2.64Å; D117-A121 PolarHBondContact O-N 2.74Å
118	I	98.6	Very high	98.1	Very high	9 Å²	9	57.7 Å²	57.7	5%	0.046	30%	0.303	C	S	.	.	H	α-helix	trans	-58.3	-47.8	169.6	-67.9	162.7	0	0	0	110.8	E114 V115 V116 A121 Y122 L161 C164 R165 L168	E114-I118 WeakPolarHBondContact O-CG1 3.47Å; E114-I118 PolarHBondContact O-N 3.23Å; V115-I118 WeakPolarHBondContact O-CB 3.42Å; V115-I118 PolarHBondContact O-N 3.13Å; V116-I118 VanDerWaalsContact C-N 3.34Å; V116-I118 PolarHBondContact O-N 3.41Å; I118-A121 PolarHBondContact O-N 3.24Å; I118-Y122 PolarHBondContact O-N 2.89Å; I118-Y122 VanDerWaalsContact O-N 3.15Å; I118-L161 HydrophobicContact CD1-CB 4.33Å; I118-L161 HydrophobicContact CD1-CD2 3.89Å; I118-C164 HydrophobicContact CD1-CB 4.25Å; I118-R165 HydrophobicContact CD1-CG 3.76Å; I118-R165 HydrophobicContact CG1-CG 3.82Å; I118-R165 HydrophobicContact CG2-CG 4.05Å; I118-L168 HydrophobicContact CG2-CD1 3.78Å
119	L	98.6	Very high	98.1	Very high	52 Å²	52	60.5 Å²	60.5	27%	0.272	31%	0.312	S	S	.	.	H	α-helix	trans	-63.4	-43.5	179.6	-63.7	175.1	0	0	0	111.4	V115 V116 A121 Y122 I123 L168 W196	V115-L119 HydrophobicContact CG1-CD1 4.34Å; V115-L119 WeakPolarHBondContact O-CG 3.49Å; V115-L119 PolarHBondContact O-N 3.4Å; V116-L119 WeakPolarHBondContact O-CB 3.22Å; V116-L119 PolarHBondContact O-N 3.13Å; V116-L119 VanDerWaalsContact O-N 3.11Å; L119-A121 VanDerWaalsContact C-N 3.34Å; L119-A121 PolarHBondContact O-N 3.36Å; L119-Y122 PolarHBondContact O-N 3.48Å; L119-I123 WeakPolarHBondContact O-CD1 3.22Å; L119-I123 WeakPolarHBondContact O-CG1 3.42Å; L119-I123 PolarHBondContact O-N 3.46Å; L119-L168 HydrophobicContact CD2-CD1 3.97Å; L119-W196 HydrophobicContact CB-CZ2 4.48Å; L119-W196 HydrophobicContact CD1-CZ2 4.13Å
120	M	98.4	Very high	98	Very high	93 Å²	93	62.8 Å²	62.8	46%	0.458	32%	0.322	S	S	.	.	H	α-helix	trans	-63	-40.6	-179.9	-70.4	-61.3	-73.2	0	0	111.8	V116 D117 I123 V124 W196	V116-M120 HydrophobicContact CG1-CG 4.06Å; V116-M120 VanDerWaalsContact O-CG 3.26Å; V116-M120 WeakPolarHBondContact O-CG 3.31Å; V116-M120 PolarHBondContact O-N 2.86Å; D117-M120 PolarHBondContact O-N 2.64Å; M120-I123 PolarHBondContact O-N 3.33Å; M120-I123 HydrophobicContact SD-CD1 4.04Å; M120-V124 WeakPolarHBondContact O-CG2 3.39Å; M120-V124 PolarHBondContact O-N 2.66Å; M120-V124 VanDerWaalsContact O-N 3.15Å; M120-W196 HydrophobicContact SD-CH2 4.25Å
121	A	98.2	Very high	98	Very high	53 Å²	53	62.1 Å²	62.1	44%	0.438	32%	0.318	S	S	.	.	H	α-helix	trans	-59.9	-48.6	173	0	0	0	0	0	111.5	D117 I118 L119 I123 V124 E125	D117-A121 PolarHBondContact O-N 2.74Å; I118-A121 PolarHBondContact O-N 3.24Å; L119-A121 VanDerWaalsContact C-N 3.34Å; L119-A121 PolarHBondContact O-N 3.36Å; A121-I123 VanDerWaalsContact C-N 3.35Å; A121-I123 PolarHBondContact O-N 2.8Å; A121-V124 PolarHBondContact O-N 3.35Å; A121-E125 WeakPolarHBondContact O-CG 3.44Å; A121-E125 PolarHBondContact O-N 2.85Å; A121-E125 VanDerWaalsContact O-N 3.07Å
122	Y	98.4	Very high	98	Very high	39 Å²	39	65.6 Å²	65.6	15%	0.153	33%	0.333	C	S	.	.	H	α-helix	trans	-62	-39.1	178.1	-179.2	-96.7	0	0	0	113.1	I118 L119 E125 S126 L168 I172 K173	I118-Y122 PolarHBondContact O-N 2.89Å; I118-Y122 VanDerWaalsContact O-N 3.15Å; L119-Y122 PolarHBondContact O-N 3.48Å; Y122-E125 PolarHBondContact O-N 3.04Å; Y122-S126 WeakPolarHBondContact CE1-OG 3.38Å; Y122-S126 WeakPolarHBondContact O-CB 3.42Å; Y122-S126 PolarHBondContact O-N 3.45Å; Y122-S126 PolarHBondContact O-OG 3.34Å; Y122-L168 HydrophobicContact CD1-CD2 4.16Å; Y122-L168 HydrophobicContact CD2-CB 3.77Å; Y122-L168 HydrophobicContact CD2-CD1 4.49Å; Y122-L168 HydrophobicContact CD2-CD2 4.28Å; Y122-L168 HydrophobicContact CD2-CG 4.4Å; Y122-L168 HydrophobicContact CE1-CD2 4.21Å; Y122-L168 HydrophobicContact CE2-CB 4.09Å; Y122-L168 HydrophobicContact CE2-CD2 4.31Å; Y122-L168 VanDerWaalsContact CE2-O 3.31Å; Y122-L168 WeakPolarHBondContact CE2-O 3.36Å; Y122-L168 HydrophobicContact CG-CB 4.25Å; Y122-L168 HydrophobicContact CG-CD1 4.15Å; Y122-L168 HydrophobicContact CG-CD2 4.19Å; Y122-L168 HydrophobicContact CG-CG 4.44Å; Y122-I172 PolarHBondContact OH-O 3.46Å; Y122-K173 HydrophobicContact CE2-CG 3.88Å; Y122-K173 WeakPolarHBondContact OH-CA 3.31Å
123	I	98	Very high	98	Very high	20 Å²	20	61.4 Å²	61.4	10%	0.103	31%	0.311	C	S	.	.	H	α-helix	trans	-59.5	-49.5	176.8	-70.9	161.8	0	0	0	110	L119 M120 A121 S126 F127 L187 M189 L192 W196	L119-I123 WeakPolarHBondContact O-CD1 3.22Å; L119-I123 WeakPolarHBondContact O-CG1 3.42Å; L119-I123 PolarHBondContact O-N 3.46Å; M120-I123 PolarHBondContact O-N 3.33Å; M120-I123 HydrophobicContact SD-CD1 4.04Å; A121-I123 VanDerWaalsContact C-N 3.35Å; A121-I123 PolarHBondContact O-N 2.8Å; I123-S126 PolarHBondContact O-N 2.84Å; I123-F127 HydrophobicContact CG2-CE2 4.14Å; I123-F127 WeakPolarHBondContact O-CD2 3.3Å; I123-L187 HydrophobicContact CG1-CD2 4.26Å; I123-M189 HydrophobicContact CG2-CE 4.1Å; I123-M189 HydrophobicContact CG2-SD 3.96Å; I123-L192 HydrophobicContact CD1-CD2 3.51Å; I123-L192 HydrophobicContact CG1-CD2 4.11Å; I123-W196 HydrophobicContact CD1-CH2 4.27Å; I123-W196 HydrophobicContact CD1-CZ2 4.23Å
124	V	97.1	Very high	98	Very high	94 Å²	94	57.2 Å²	57.2	57%	0.57	29%	0.292	S	S	*	.	H	α-helix	trans	-61	-48.3	-179.8	172.6	0	0	0	0	110.9	M120 A121 S126 F127	M120-V124 WeakPolarHBondContact O-CG2 3.39Å; M120-V124 PolarHBondContact O-N 2.66Å; M120-V124 VanDerWaalsContact O-N 3.15Å; A121-V124 PolarHBondContact O-N 3.35Å; V124-S126 PolarHBondContact O-N 2.98Å; V124-F127 PolarHBondContact O-N 3.35Å
125	E	97	Very high	97.9	Very high	89 Å²	89	56.5 Å²	56.5	42%	0.416	29%	0.29	S	S	.	.	H	α-helix	trans	-58.6	-35.8	176.8	-73.9	-174.7	-164.9	0	0	112.6	A121 Y122 F127 D128 T131 K173	A121-E125 WeakPolarHBondContact O-CG 3.44Å; A121-E125 PolarHBondContact O-N 2.85Å; A121-E125 VanDerWaalsContact O-N 3.07Å; Y122-E125 PolarHBondContact O-N 3.04Å; E125-F127 PolarHBondContact O-N 2.95Å; E125-F127 VanDerWaalsContact O-N 3.14Å; E125-D128 PolarHBondContact O-N 3.46Å; E125-T131 HydrophobicContact CB-CG2 4.21Å; E125-T131 HydrophobicContact CG-CG2 4.48Å; E125-T131 PolarHBondContact O-OG1 3.42Å; E125-K173 IonicContact OE2-NZ 3.41Å; E125-K173 PolarHBondContact OE2-NZ 3.28Å
126	S	97.4	Very high	97.8	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-13.3	-176.1	-61.6	0	0	0	0	114.1	Y122 I123 V124 H176	Y122-S126 WeakPolarHBondContact CE1-OG 3.38Å; Y122-S126 WeakPolarHBondContact O-CB 3.42Å; Y122-S126 PolarHBondContact O-N 3.45Å; Y122-S126 PolarHBondContact O-OG 3.34Å; I123-S126 PolarHBondContact O-N 2.84Å; V124-S126 PolarHBondContact O-N 2.98Å; S126-H176 VanDerWaalsContact O-CA 3.22Å; S126-H176 WeakPolarHBondContact O-CA 3.1Å; S126-H176 PolarHBondContact O-N 2.95Å
127	F	97.3	Very high	97.7	Very high	69 Å²	69	57.7 Å²	57.7	30%	0.303	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-3.7	172.6	-65.4	-78.2	0	0	0	113.5	I123 V124 E125 A175 L187 M189 A566	I123-F127 HydrophobicContact CG2-CE2 4.14Å; I123-F127 WeakPolarHBondContact O-CD2 3.3Å; V124-F127 PolarHBondContact O-N 3.35Å; E125-F127 PolarHBondContact O-N 2.95Å; E125-F127 VanDerWaalsContact O-N 3.14Å; F127-A175 HydrophobicContact CZ-CB 4.3Å; F127-L187 HydrophobicContact CZ-CB 4.22Å; F127-M189 HydrophobicContact CE2-CE 3.45Å; F127-M189 VanDerWaalsContact CE2-CE 3.45Å; F127-M189 HydrophobicContact CZ-CE 3.48Å; F127-M189 VanDerWaalsContact CZ-CE 3.48Å; F127-A566 HydrophobicContact CD1-CB 4.11Å; F127-A566 HydrophobicContact CE1-CB 4.17Å
128	D	97.8	Very high	97.6	Very high	77 Å²	77	61 Å²	61	41%	0.412	30%	0.297	S	S	.	.			trans	-89.3	118.1	178.1	-173.3	-2.1	0	0	0	110.9	E125 E130 T131 H176	E125-D128 PolarHBondContact O-N 3.46Å; D128-E130 PolarHBondContact O-N 3.14Å; D128-E130 PolarHBondContact OD1-N 3.28Å; D128-T131 HydrophobicContact CB-CG2 3.95Å; D128-T131 PolarHBondContact O-N 3.38Å; D128-T131 VanDerWaalsContact O-N 3.13Å; D128-T131 PolarHBondContact O-OG1 2.88Å; D128-H176 PolarHBondContact O-NE2 3.47Å
129	R	98.1	Very high	97.4	Very high	74 Å²	74	65 Å²	65	28%	0.279	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-16.8	-177.5	-72.7	169.4	175.1	72.8	0.4	113.5	T131 P177 R178 A566 D571	R129-T131 VanDerWaalsContact C-N 3.26Å; R129-P177 HydrophobicContact CG-CB 4.48Å; R129-P177 HydrophobicContact CG-CG 4.24Å; R129-R178 PolarHBondContact O-NH1 3.1Å; R129-A566 PolarHBondContact NH2-O 3.07Å; R129-A566 VanDerWaalsContact NH2-O 3.07Å; R129-D571 IonicContact CZ-OD1 3.84Å; R129-D571 IonicContact CZ-OD2 2.77Å; R129-D571 IonicContact NE-OD1 2.68Å; R129-D571 PolarHBondContact NE-OD1 2.99Å; R129-D571 IonicContact NE-OD2 3.44Å; R129-D571 PolarHBondContact NE-OD2 3.39Å; R129-D571 IonicContact NH2-OD1 3.42Å; R129-D571 IonicContact NH2-OD2 3.61Å; R129-D571 PolarHBondContact NH2-OD2 3.29Å
130	E	96.9	Very high	97.2	Very high	168 Å²	168	68.2 Å²	68.2	79%	0.785	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-15.4	174.9	-59.6	-55.6	130.9	0	0	111.8	D128	D128-E130 PolarHBondContact O-N 3.14Å; D128-E130 PolarHBondContact OD1-N 3.28Å
131	T	97.8	Very high	96.9	Very high	30 Å²	30	67.9 Å²	67.9	18%	0.184	34%	0.338	C	S	.	.	S	Bend	trans	-83.3	152.5	175.9	74.9	0	0	0	0	111.5	E125 D128 R129 K173 H176	E125-T131 HydrophobicContact CB-CG2 4.21Å; E125-T131 HydrophobicContact CG-CG2 4.48Å; E125-T131 PolarHBondContact O-OG1 3.42Å; D128-T131 HydrophobicContact CB-CG2 3.95Å; D128-T131 PolarHBondContact O-N 3.38Å; D128-T131 VanDerWaalsContact O-N 3.13Å; D128-T131 PolarHBondContact O-OG1 2.88Å; R129-T131 VanDerWaalsContact C-N 3.26Å; T131-K173 PolarHBondContact OG1-NZ 3.32Å; T131-H176 PolarHBondContact O-NE2 3.16Å
132	K	98.1	Very high	96.7	Very high	98 Å²	98	67.6 Å²	67.6	43%	0.426	33%	0.329	S	S	.	.			trans	-69.4	138.6	173.7	-64.5	-172.8	-177.3	-177.8	0	110.7	I134 D135 K173 G542	K132-I134 PolarHBondContact O-N 3.48Å; K132-D135 HydrophobicContact CD-CB 4.5Å; K132-D135 IonicContact NZ-OD1 2.79Å; K132-D135 PolarHBondContact NZ-OD1 2.98Å; K132-K173 WeakPolarHBondContact O-CD 3.48Å; K132-G542 CarbonylContact C-O 3.5Å; K132-G542 WeakPolarHBondContact CA-O 3.28Å
133	V	98.3	Very high	96.4	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	35%	0.348	C	S	.	.	S	Bend	trans	-59.6	-38.1	167	176.7	0	0	0	0	111.3	I172 K173 H176 R178 Y179 G542 M545	V133-I172 HydrophobicContact CG1-CG2 4.41Å; V133-K173 PolarHBondContact O-N 2.82Å; V133-H176 HydrophobicContact CG2-CB 4.17Å; V133-H176 VanDerWaalsContact CG2-ND1 3.29Å; V133-H176 WeakPolarHBondContact CG2-ND1 3.18Å; V133-R178 HydrophobicContact CG2-CB 4.44Å; V133-Y179 HydrophobicContact CG1-CD2 3.8Å; V133-Y179 HydrophobicContact CG1-CG 4.48Å; V133-G542 PolarHBondContact N-O 3.3Å; V133-M545 HydrophobicContact CB-CG 4.48Å; V133-M545 HydrophobicContact CG1-CB 4.3Å; V133-M545 HydrophobicContact CG1-CG 3.75Å; V133-M545 HydrophobicContact CG1-SD 3.73Å
134	I	97.6	Very high	96	Very high	14 Å²	14	77.6 Å²	77.6	7%	0.072	38%	0.379	C	S	.	.			trans	-150.8	137.6	177.3	-171.5	-177	0	0	0	108.6	K132 F136 I172 G542 M545	K132-I134 PolarHBondContact O-N 3.48Å; I134-F136 HydrophobicContact CD1-CB 4.22Å; I134-F136 HydrophobicContact CD1-CD2 4.04Å; I134-F136 HydrophobicContact CG1-CB 4.47Å; I134-F136 HydrophobicContact CG2-CB 4.49Å; I134-I172 HydrophobicContact CB-CG1 4.26Å; I134-I172 HydrophobicContact CD1-CD1 4.05Å; I134-I172 HydrophobicContact CD1-CG1 3.64Å; I134-I172 HydrophobicContact CG1-CG1 3.89Å; I134-G542 WeakPolarHBondContact O-CA 3.48Å; I134-M545 HydrophobicContact CB-SD 4.24Å; I134-M545 HydrophobicContact CG2-CG 4.46Å; I134-M545 HydrophobicContact CG2-SD 3.82Å
135	D	96.9	Very high	95.6	Very high	49 Å²	49	77.5 Å²	77.5	26%	0.262	38%	0.375	S	S	.	.			trans	-92.3	93.1	159.7	-167.1	47.1	0	0	0	107.2	K132 H137	K132-D135 HydrophobicContact CD-CB 4.5Å; K132-D135 IonicContact NZ-OD1 2.79Å; K132-D135 PolarHBondContact NZ-OD1 2.98Å; D135-H137 PolarHBondContact O-CD2 3.31Å; D135-H137 VanDerWaalsContact O-CD2 3.25Å; D135-H137 IonicContact OD2-CD2 2.82Å; D135-H137 IonicContact OD2-CE1 3.5Å; D135-H137 IonicContact OD2-NE2 3.57Å; D135-H137 PolarHBondContact OD2-NE2 2.83Å
136	F	97.1	Very high	95	Very high	64 Å²	64	74.9 Å²	74.9	28%	0.281	36%	0.364	S	S	.	.			trans	-75.2	135.1	-170.8	178.8	-104.9	0	0	0	111.6	I134 Y138 M539	I134-F136 HydrophobicContact CD1-CB 4.22Å; I134-F136 HydrophobicContact CD1-CD2 4.04Å; I134-F136 HydrophobicContact CG1-CB 4.47Å; I134-F136 HydrophobicContact CG2-CB 4.49Å; F136-Y138 HydrophobicContact CE1-CD1 4.31Å; F136-Y138 HydrophobicContact CE1-CD2 4.23Å; F136-Y138 HydrophobicContact CE1-CE1 4.1Å; F136-Y138 HydrophobicContact CE1-CE2 4.02Å; F136-Y138 HydrophobicContact CE1-CG 4.37Å; F136-Y138 AromaticContact CE1-CZ 3.95Å; F136-Y138 HydrophobicContact CZ-CD1 4.17Å; F136-Y138 HydrophobicContact CZ-CE1 4.16Å; F136-Y138 HydrophobicContact CZ-CG 4.49Å; F136-M539 HydrophobicContact CB-CB 4.31Å; F136-M539 WeakPolarHBondContact CB-O 3.4Å; F136-M539 HydrophobicContact CD2-CB 4.5Å; F136-M539 HydrophobicContact CD2-CE 3.22Å; F136-M539 HydrophobicContact CE2-CE 3.17Å; F136-M539 HydrophobicContact CG-CB 4.2Å; F136-M539 HydrophobicContact CG-CE 3.96Å; F136-M539 HydrophobicContact CZ-CE 3.88Å
137	H	96.3	Very high	94.2	Very high	44 Å²	44	80.1 Å²	80.1	20%	0.204	39%	0.392	C	S	.	.			trans	-139.3	147	173.3	-68.7	-87.3	0	0	0	108.2	D135 E141 L142 Y170	D135-H137 PolarHBondContact O-CD2 3.31Å; D135-H137 VanDerWaalsContact O-CD2 3.25Å; D135-H137 IonicContact OD2-CD2 2.82Å; D135-H137 IonicContact OD2-CE1 3.5Å; D135-H137 IonicContact OD2-NE2 3.57Å; D135-H137 PolarHBondContact OD2-NE2 2.83Å; H137-E141 HydrophobicContact CB-CB 4.35Å; H137-L142 HydrophobicContact CB-CD1 4.11Å; H137-L142 HydrophobicContact CB-CD2 3.5Å; H137-L142 VanDerWaalsContact CB-CD2 3.5Å; H137-L142 HydrophobicContact CB-CG 3.44Å; H137-L142 VanDerWaalsContact CB-CG 3.44Å; H137-Y170 AromaticContact CD2-CD1 3.72Å; H137-Y170 AromaticContact CD2-CE1 3.79Å; H137-Y170 AromaticContact NE2-CD1 3.97Å; H137-Y170 AromaticContact NE2-CE1 3.61Å
138	Y	95.5	Very high	93.7	Very high	146 Å²	146	81.5 Å²	81.5	57%	0.573	40%	0.395	S	S	*	.			trans	-69.7	155.7	172.4	-71.2	-83.2	0	0	0	110.7	F136 N140 E141 L142	F136-Y138 HydrophobicContact CE1-CD1 4.31Å; F136-Y138 HydrophobicContact CE1-CD2 4.23Å; F136-Y138 HydrophobicContact CE1-CE1 4.1Å; F136-Y138 HydrophobicContact CE1-CE2 4.02Å; F136-Y138 HydrophobicContact CE1-CG 4.37Å; F136-Y138 AromaticContact CE1-CZ 3.95Å; F136-Y138 HydrophobicContact CZ-CD1 4.17Å; F136-Y138 HydrophobicContact CZ-CE1 4.16Å; F136-Y138 HydrophobicContact CZ-CG 4.49Å; Y138-N140 VanDerWaalsContact C-N 3.3Å; Y138-N140 PolarHBondContact O-N 2.82Å; Y138-E141 WeakPolarHBondContact CD2-OE2 3.17Å; Y138-E141 PolarHBondContact N-OE2 2.88Å; Y138-E141 WeakPolarHBondContact O-CB 3.02Å; Y138-E141 PolarHBondContact O-N 3.19Å; Y138-L142 PolarHBondContact O-N 3.2Å
139	P	94.9	Very high	93.5	Very high	92 Å²	92	84.7 Å²	84.7	60%	0.597	41%	0.408	S	S	*	.	H	α-helix	trans	-53.4	-43.8	-177.2	-28.9	35.8	0	0	0	113.9	E141 L142 L143	P139-E141 VanDerWaalsContact C-N 3.31Å; P139-E141 PolarHBondContact O-N 3.35Å; P139-L142 PolarHBondContact O-N 3.06Å; P139-L143 WeakPolarHBondContact O-CB 3.41Å; P139-L143 VanDerWaalsContact O-CG 3.31Å; P139-L143 WeakPolarHBondContact O-CG 3.45Å; P139-L143 PolarHBondContact O-N 2.88Å
140	N	93.3	Very high	93.3	Very high	119 Å²	119	89.2 Å²	89.2	64%	0.636	44%	0.436	S	S	*	.	H	α-helix	trans	-67.3	-32.1	179.6	-66.8	-13.1	0	0	0	112.6	Y138 Q144	Y138-N140 VanDerWaalsContact C-N 3.3Å; Y138-N140 PolarHBondContact O-N 2.82Å; N140-Q144 WeakPolarHBondContact O-CB 3.43Å; N140-Q144 VanDerWaalsContact O-CG 3.23Å; N140-Q144 WeakPolarHBondContact O-CG 3.43Å; N140-Q144 PolarHBondContact O-N 3.23Å; N140-Q144 VanDerWaalsContact O-N 3.16Å
141	E	93.4	Very high	93.2	Very high	86 Å²	86	87.9 Å²	87.9	40%	0.402	43%	0.43	S	S	.	.	H	α-helix	trans	-69.4	-46.2	176.1	-63.8	167.6	170.3	0	0	109.9	H137 Y138 P139 L143 Q144 L145	H137-E141 HydrophobicContact CB-CB 4.35Å; Y138-E141 WeakPolarHBondContact CD2-OE2 3.17Å; Y138-E141 PolarHBondContact N-OE2 2.88Å; Y138-E141 WeakPolarHBondContact O-CB 3.02Å; Y138-E141 PolarHBondContact O-N 3.19Å; P139-E141 VanDerWaalsContact C-N 3.31Å; P139-E141 PolarHBondContact O-N 3.35Å; E141-L143 VanDerWaalsContact C-N 3.33Å; E141-L143 PolarHBondContact O-N 2.99Å; E141-Q144 PolarHBondContact O-N 3.37Å; E141-Q144 VanDerWaalsContact O-N 3.13Å; E141-L145 WeakPolarHBondContact O-CB 3.34Å; E141-L145 VanDerWaalsContact O-CG 3.22Å; E141-L145 WeakPolarHBondContact O-CG 3.48Å; E141-L145 PolarHBondContact O-N 3.2Å
142	L	93	Very high	93.2	Very high	47 Å²	47	94.6 Å²	94.6	25%	0.246	47%	0.465	C	S	.	.	H	α-helix	trans	-62.8	-37.3	177.1	-73.4	177.3	0	0	0	113.5	H137 Y138 P139 Q144 L145 N146 W148 Y170	H137-L142 HydrophobicContact CB-CD1 4.11Å; H137-L142 HydrophobicContact CB-CD2 3.5Å; H137-L142 VanDerWaalsContact CB-CD2 3.5Å; H137-L142 HydrophobicContact CB-CG 3.44Å; H137-L142 VanDerWaalsContact CB-CG 3.44Å; Y138-L142 PolarHBondContact O-N 3.2Å; P139-L142 PolarHBondContact O-N 3.06Å; L142-Q144 VanDerWaalsContact C-N 3.3Å; L142-L145 PolarHBondContact O-N 3.28Å; L142-N146 PolarHBondContact O-N 3.39Å; L142-W148 PolarHBondContact O-NE1 3.39Å; L142-W148 VanDerWaalsContact O-NE1 3.13Å; L142-Y170 HydrophobicContact CD2-CD1 3.79Å; L142-Y170 HydrophobicContact CD2-CD2 4.27Å; L142-Y170 HydrophobicContact CD2-CE1 4.28Å; L142-Y170 HydrophobicContact CD2-CG 3.78Å
143	L	92.1	Very high	93.1	Very high	105 Å²	105	97.1 Å²	97.1	55%	0.55	48%	0.478	S	S	.	.	H	α-helix	trans	-67.6	-29.8	175.3	-73.1	171.9	0	0	0	112.5	P139 E141 N146	P139-L143 WeakPolarHBondContact O-CB 3.41Å; P139-L143 VanDerWaalsContact O-CG 3.31Å; P139-L143 WeakPolarHBondContact O-CG 3.45Å; P139-L143 PolarHBondContact O-N 2.88Å; E141-L143 VanDerWaalsContact C-N 3.33Å; E141-L143 PolarHBondContact O-N 2.99Å; L143-N146 VanDerWaalsContact O-O 3.08Å
144	Q	90.1	Very high	93.1	Very high	164 Å²	164	100.7 Å²	100.7	77%	0.766	50%	0.501	S	S	*	.	H	α-helix	trans	-83	-32	175.9	-73.1	173.4	5.3	0	0	112.7	N140 E141 L142	N140-Q144 WeakPolarHBondContact O-CB 3.43Å; N140-Q144 VanDerWaalsContact O-CG 3.23Å; N140-Q144 WeakPolarHBondContact O-CG 3.43Å; N140-Q144 PolarHBondContact O-N 3.23Å; N140-Q144 VanDerWaalsContact O-N 3.16Å; E141-Q144 PolarHBondContact O-N 3.37Å; E141-Q144 VanDerWaalsContact O-N 3.13Å; L142-Q144 VanDerWaalsContact C-N 3.3Å
145	L	88.9	Confident	93	Very high	92 Å²	92	102.3 Å²	102.3	48%	0.482	52%	0.517	S	S	.	.	H	α-helix	trans	-72.5	-29.3	-176.7	-77.4	169.8	0	0	0	113.7	E141 L142	E141-L145 WeakPolarHBondContact O-CB 3.34Å; E141-L145 VanDerWaalsContact O-CG 3.22Å; E141-L145 WeakPolarHBondContact O-CG 3.48Å; E141-L145 PolarHBondContact O-N 3.2Å; L142-L145 PolarHBondContact O-N 3.28Å
146	N	85.3	Confident	93	Very high	35 Å²	35	100.8 Å²	100.8	19%	0.187	51%	0.51	C	S	.	.	S	Bend	trans	-136.6	142.8	178.2	-44.7	-98.8	0	0	0	109.4	L142 L143 W148 Y170	L142-N146 PolarHBondContact O-N 3.39Å; L143-N146 VanDerWaalsContact O-O 3.08Å; N146-W148 HydrophobicContact CB-CD2 4.2Å; N146-W148 HydrophobicContact CB-CH2 4.37Å; N146-W148 HydrophobicContact CB-CZ2 3.63Å; N146-W148 PolarHBondContact O-N 2.99Å; N146-W148 VanDerWaalsContact O-N 3.1Å; N146-Y170 WeakPolarHBondContact ND2-CE2 3.34Å
147	N	80.6	Confident	93.1	Very high	110 Å²	110	98 Å²	98	59%	0.588	50%	0.497	S	S	*	.			trans	-78	94.6	174.2	-177.4	22.5	0	0	0	109.9	E149	N147-E149 VanDerWaalsContact C-N 3.35Å; N147-E149 WeakPolarHBondContact OD1-CB 3.2Å; N147-E149 PolarHBondContact OD1-N 3.39Å
148	W	86.4	Confident	93.1	Very high	98 Å²	98	99.1 Å²	99.1	37%	0.371	51%	0.505	S	S	.	.			trans	-90.8	1.9	176.1	-55.2	106.5	0	0	0	113.3	L142 N146 A166	L142-W148 PolarHBondContact O-NE1 3.39Å; L142-W148 VanDerWaalsContact O-NE1 3.13Å; N146-W148 HydrophobicContact CB-CD2 4.2Å; N146-W148 HydrophobicContact CB-CH2 4.37Å; N146-W148 HydrophobicContact CB-CZ2 3.63Å; N146-W148 PolarHBondContact O-N 2.99Å; N146-W148 VanDerWaalsContact O-N 3.1Å; W148-A166 HydrophobicContact CH2-CB 4.07Å
149	E	92.1	Very high	93.1	Very high	143 Å²	143	95.6 Å²	95.6	67%	0.668	50%	0.496	S	S	*	.			trans	-70.6	143.6	-179.2	-65.4	-65.1	157.1	0	0	111	N147	N147-E149 VanDerWaalsContact C-N 3.35Å; N147-E149 WeakPolarHBondContact OD1-CB 3.2Å; N147-E149 PolarHBondContact OD1-N 3.39Å
150	L	95.3	Very high	93.2	Very high	169 Å²	169	94.4 Å²	94.4	89%	0.885	48%	0.484	S	S	*	.			trans	-83.9	142.8	175.4	-58.4	177.7	0	0	0	109.9
151	Q	94.8	Very high	93.4	Very high	141 Å²	141	89 Å²	89	66%	0.659	46%	0.455	S	S	*	.			trans	-126.2	158.8	-179	-60.7	-172	-5.6	0	0	111
152	D	97.5	Very high	93.5	Very high	171 Å²	171	89.2 Å²	89.2	91%	0.914	46%	0.458	S	S	*	.	S	Bend	trans	-70	-36.6	175.7	-69.4	-28.1	0	0	0	111.7
153	E	96.8	Very high	93.6	Very high	150 Å²	150	89.4 Å²	89.4	70%	0.701	46%	0.463	S	S	*	.	S	Bend	trans	-82.2	141.7	178.1	-63.8	-61.3	157.5	0	0	111.2
154	P	96.7	Very high	93.9	Very high	75 Å²	75	86.3 Å²	86.3	49%	0.487	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-71.4	142.4	178.9	31.1	-35.1	0	0	0	111.2	Y94	Y94-P154 HydrophobicContact CD1-CB 3.97Å; Y94-P154 HydrophobicContact CD1-CG 3.78Å; Y94-P154 HydrophobicContact CE1-CG 4.13Å
155	A	96.1	Very high	94.2	Very high	48 Å²	48	84.4 Å²	84.4	40%	0.397	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-76.2	153.2	167.4	0	0	0	0	0	110.7	D159 I160	A155-D159 HydrophobicContact CB-CB 3.93Å; A155-I160 HydrophobicContact CB-CD1 4.19Å
156	T	97.5	Very high	94.5	Very high	18 Å²	18	80.6 Å²	80.6	11%	0.11	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-70.3	158.8	174.9	69.1	0	0	0	0	110.2	S91 L93 Y94 D158 D159 I160	S91-T156 WeakPolarHBondContact O-CG2 3.48Å; L93-T156 CarbonylContact O-C 3.5Å; L93-T156 WeakPolarHBondContact O-CA 3.43Å; Y94-T156 HydrophobicContact CE1-CG2 3.96Å; T156-D158 PolarHBondContact O-N 2.92Å; T156-D159 PolarHBondContact N-OD2 3.01Å; T156-D159 WeakPolarHBondContact O-CB 3.42Å; T156-D159 PolarHBondContact O-N 3.47Å; T156-D159 VanDerWaalsContact O-N 3.13Å; T156-D159 PolarHBondContact OG1-N 3.11Å; T156-D159 PolarHBondContact OG1-OD2 2.8Å; T156-I160 WeakPolarHBondContact O-CG1 3.42Å; T156-I160 PolarHBondContact O-N 3.1Å
157	L	97.8	Very high	95.1	Very high	4 Å²	4	82.5 Å²	82.5	2%	0.021	43%	0.431	C	S	.	.	H	α-helix	trans	-62.4	-27.2	176.3	-67.5	-177.6	0	0	0	112	F90 L93 L98 F111 I160 L161	F90-L157 HydrophobicContact CB-CB 3.99Å; F90-L157 HydrophobicContact CD1-CB 3.84Å; F90-L157 HydrophobicContact CD1-CD1 3.99Å; F90-L157 HydrophobicContact CE1-CD1 4.41Å; F90-L157 HydrophobicContact CG-CB 4.25Å; L93-L157 HydrophobicContact CB-CB 4.47Å; L93-L157 HydrophobicContact CB-CD1 3.81Å; L93-L157 HydrophobicContact CB-CG 4.19Å; L93-L157 PolarHBondContact O-N 2.93Å; L98-L157 HydrophobicContact CD1-CD1 4.13Å; L98-L157 HydrophobicContact CD1-CD2 4.01Å; L98-L157 HydrophobicContact CD2-CD1 3.58Å; L98-L157 HydrophobicContact CG-CD1 3.96Å; L98-L157 HydrophobicContact CG-CD2 4.49Å; F111-L157 HydrophobicContact CD2-CB 4.03Å; F111-L157 HydrophobicContact CD2-CD1 4.18Å; F111-L157 HydrophobicContact CD2-CD2 4.19Å; F111-L157 HydrophobicContact CD2-CG 4.36Å; F111-L157 HydrophobicContact CE2-CB 4.1Å; F111-L157 HydrophobicContact CE2-CD2 3.96Å; F111-L157 HydrophobicContact CE2-CG 4.47Å; F111-L157 HydrophobicContact CG-CD1 4.39Å; F111-L157 HydrophobicContact CZ-CD2 4.22Å; L157-I160 PolarHBondContact O-N 3.4Å; L157-L161 WeakPolarHBondContact O-CG 3.28Å; L157-L161 PolarHBondContact O-N 2.86Å
158	D	97.1	Very high	95.9	Very high	69 Å²	69	79 Å²	79	37%	0.369	41%	0.412	S	S	.	.	H	α-helix	trans	-66.5	-44.7	173.2	-165.1	48.4	0	0	0	111.4	F90 T156 I160 L161 I162	F90-D158 HydrophobicContact CB-CB 3.92Å; F90-D158 PolarHBondContact O-N 3.02Å; T156-D158 PolarHBondContact O-N 2.92Å; D158-I160 PolarHBondContact O-N 2.96Å; D158-L161 PolarHBondContact O-N 3.23Å; D158-L161 VanDerWaalsContact O-N 3.1Å; D158-I162 WeakPolarHBondContact O-CG1 3.46Å; D158-I162 PolarHBondContact O-N 3.23Å
159	D	95.4	Very high	96.3	Very high	72 Å²	72	80.6 Å²	80.6	39%	0.385	42%	0.422	S	S	.	.	H	α-helix	trans	-60.3	-36.1	173.9	-63.7	-48.5	0	0	0	112	A155 T156 I162 S163	A155-D159 HydrophobicContact CB-CB 3.93Å; T156-D159 PolarHBondContact N-OD2 3.01Å; T156-D159 WeakPolarHBondContact O-CB 3.42Å; T156-D159 PolarHBondContact O-N 3.47Å; T156-D159 VanDerWaalsContact O-N 3.13Å; T156-D159 PolarHBondContact OG1-N 3.11Å; T156-D159 PolarHBondContact OG1-OD2 2.8Å; D159-I162 PolarHBondContact O-N 2.92Å; D159-S163 WeakPolarHBondContact O-CB 3.42Å; D159-S163 PolarHBondContact O-N 2.64Å; D159-S163 PolarHBondContact O-OG 3.43Å
160	I	96.8	Very high	96.5	Very high	66 Å²	66	75.8 Å²	75.8	34%	0.338	40%	0.397	S	S	.	.	H	α-helix	trans	-64.8	-45.4	173.8	-60.9	-56.5	0	0	0	110.9	F111 A155 T156 L157 D158 I162 S163 C164	F111-I160 HydrophobicContact CE2-CB 4.5Å; F111-I160 HydrophobicContact CE2-CG2 4.26Å; F111-I160 HydrophobicContact CZ-CG2 3.88Å; A155-I160 HydrophobicContact CB-CD1 4.19Å; T156-I160 WeakPolarHBondContact O-CG1 3.42Å; T156-I160 PolarHBondContact O-N 3.1Å; L157-I160 PolarHBondContact O-N 3.4Å; D158-I160 PolarHBondContact O-N 2.96Å; I160-I162 VanDerWaalsContact C-N 3.34Å; I160-I162 PolarHBondContact O-N 2.98Å; I160-S163 WeakPolarHBondContact O-CB 3.24Å; I160-S163 PolarHBondContact O-N 2.97Å; I160-S163 VanDerWaalsContact O-N 3.17Å; I160-C164 PolarHBondContact O-N 3.32Å; I160-C164 PolarHBondContact O-SG 2.88Å; I160-C164 VanDerWaalsContact O-SG 3.33Å
161	L	97.3	Very high	96.6	Very high	5 Å²	5	69.2 Å²	69.2	3%	0.026	37%	0.368	C	S	.	.	H	α-helix	trans	-63.4	-39.7	176.7	-68	173.7	0	0	0	111.8	F90 F111 E114 V115 I118 L157 D158 S163 C164 R165	F90-L161 HydrophobicContact CD2-CD1 3.83Å; F90-L161 HydrophobicContact CE2-CD1 4.18Å; F90-L161 HydrophobicContact CG-CD1 4.32Å; F111-L161 HydrophobicContact CD2-CD1 4.47Å; F111-L161 HydrophobicContact CD2-CD2 4.12Å; F111-L161 HydrophobicContact CD2-CG 4.25Å; F111-L161 HydrophobicContact CE2-CD2 3.79Å; F111-L161 HydrophobicContact CE2-CG 3.91Å; E114-L161 HydrophobicContact CB-CD1 3.97Å; E114-L161 HydrophobicContact CB-CD2 3.91Å; E114-L161 HydrophobicContact CG-CD1 4.36Å; V115-L161 HydrophobicContact CG2-CD2 3.62Å; I118-L161 HydrophobicContact CD1-CB 4.33Å; I118-L161 HydrophobicContact CD1-CD2 3.89Å; L157-L161 WeakPolarHBondContact O-CG 3.28Å; L157-L161 PolarHBondContact O-N 2.86Å; D158-L161 PolarHBondContact O-N 3.23Å; D158-L161 VanDerWaalsContact O-N 3.1Å; L161-S163 VanDerWaalsContact C-N 3.32Å; L161-S163 PolarHBondContact O-N 2.82Å; L161-C164 PolarHBondContact O-N 3.01Å; L161-R165 WeakPolarHBondContact O-CG 3.38Å; L161-R165 PolarHBondContact O-N 3.44Å
162	I	95.6	Very high	96.7	Very high	91 Å²	91	65.4 Å²	65.4	47%	0.467	35%	0.351	S	S	.	.	H	α-helix	trans	-59.4	-45.5	172.6	-69.2	167.2	0	0	0	110.2	D158 D159 I160 C164 R165 A166	D158-I162 WeakPolarHBondContact O-CG1 3.46Å; D158-I162 PolarHBondContact O-N 3.23Å; D159-I162 PolarHBondContact O-N 2.92Å; I160-I162 VanDerWaalsContact C-N 3.34Å; I160-I162 PolarHBondContact O-N 2.98Å; I162-C164 PolarHBondContact O-N 3.11Å; I162-R165 PolarHBondContact O-N 3.48Å; I162-A166 WeakPolarHBondContact O-CB 3.25Å; I162-A166 PolarHBondContact O-N 2.86Å
163	S	95.9	Very high	96.8	Very high	51 Å²	51	58.2 Å²	58.2	36%	0.357	31%	0.312	S	S	.	.	H	α-helix	trans	-60.8	-43.8	177.2	-60.6	0	0	0	0	111.6	D159 I160 L161 R165 A166 T167	D159-S163 WeakPolarHBondContact O-CB 3.42Å; D159-S163 PolarHBondContact O-N 2.64Å; D159-S163 PolarHBondContact O-OG 3.43Å; I160-S163 WeakPolarHBondContact O-CB 3.24Å; I160-S163 PolarHBondContact O-N 2.97Å; I160-S163 VanDerWaalsContact O-N 3.17Å; L161-S163 VanDerWaalsContact C-N 3.32Å; L161-S163 PolarHBondContact O-N 2.82Å; S163-R165 PolarHBondContact O-N 3.06Å; S163-A166 PolarHBondContact O-N 2.78Å; S163-T167 WeakPolarHBondContact O-CB 3.44Å; S163-T167 PolarHBondContact O-N 3.45Å; S163-T167 PolarHBondContact O-OG1 2.86Å
164	C	97.3	Very high	96.9	Very high	41 Å²	41	54.1 Å²	54.1	28%	0.277	30%	0.297	S	S	.	.	H	α-helix	trans	-58.2	-45.6	174.9	-68.7	0	0	0	0	112.5	I118 I160 L161 I162 T167 L168	I118-C164 HydrophobicContact CD1-CB 4.25Å; I160-C164 PolarHBondContact O-N 3.32Å; I160-C164 PolarHBondContact O-SG 2.88Å; I160-C164 VanDerWaalsContact O-SG 3.33Å; L161-C164 PolarHBondContact O-N 3.01Å; I162-C164 PolarHBondContact O-N 3.11Å; C164-T167 PolarHBondContact O-N 3.02Å; C164-L168 PolarHBondContact O-N 3.38Å
165	R	97.1	Very high	96.9	Very high	124 Å²	124	50.7 Å²	50.7	47%	0.468	28%	0.275	S	S	.	.	H	α-helix	trans	-63.3	-44.7	176.8	-67	177.8	-160.2	-84.4	-1.8	111.2	E114 I118 L161 I162 S163 L168 K169	E114-R165 IonicContact OE2-NH2 3.89Å; I118-R165 HydrophobicContact CD1-CG 3.76Å; I118-R165 HydrophobicContact CG1-CG 3.82Å; I118-R165 HydrophobicContact CG2-CG 4.05Å; L161-R165 WeakPolarHBondContact O-CG 3.38Å; L161-R165 PolarHBondContact O-N 3.44Å; I162-R165 PolarHBondContact O-N 3.48Å; S163-R165 PolarHBondContact O-N 3.06Å; R165-L168 PolarHBondContact O-N 3.04Å; R165-K169 VanDerWaalsContact O-CB 3.29Å; R165-K169 WeakPolarHBondContact O-CB 3.33Å; R165-K169 PolarHBondContact O-N 3.23Å
166	A	95.9	Very high	97	Very high	12 Å²	12	48.5 Å²	48.5	10%	0.099	26%	0.257	C	S	.	.	H	α-helix	trans	-62.3	-45.4	178.3	0	0	0	0	0	111.8	W148 I162 S163 L168 K169 Y170	W148-A166 HydrophobicContact CH2-CB 4.07Å; I162-A166 WeakPolarHBondContact O-CB 3.25Å; I162-A166 PolarHBondContact O-N 2.86Å; S163-A166 PolarHBondContact O-N 2.78Å; A166-L168 PolarHBondContact O-N 2.81Å; A166-K169 PolarHBondContact O-N 3.48Å; A166-Y170 WeakPolarHBondContact O-CD2 3.39Å; A166-Y170 PolarHBondContact O-N 3.21Å
167	T	96.9	Very high	97.1	Very high	75 Å²	75	47.7 Å²	47.7	46%	0.46	25%	0.252	S	S	.	.	H	α-helix	trans	-56.3	-48.6	177.1	-61.3	0	0	0	0	111.4	S163 C164 A171	S163-T167 WeakPolarHBondContact O-CB 3.44Å; S163-T167 PolarHBondContact O-N 3.45Å; S163-T167 PolarHBondContact O-OG1 2.86Å; C164-T167 PolarHBondContact O-N 3.02Å; T167-A171 WeakPolarHBondContact O-CB 3.47Å; T167-A171 PolarHBondContact O-N 2.96Å
168	L	97.6	Very high	97.1	Very high	37 Å²	37	49.3 Å²	49.3	19%	0.194	26%	0.257	C	S	.	.	H	α-helix	trans	-71.7	-34	-179.3	-69.4	175.2	0	0	0	113.2	I118 L119 Y122 C164 R165 A166 Y170 A171	I118-L168 HydrophobicContact CG2-CD1 3.78Å; L119-L168 HydrophobicContact CD2-CD1 3.97Å; Y122-L168 HydrophobicContact CD1-CD2 4.16Å; Y122-L168 HydrophobicContact CD2-CB 3.77Å; Y122-L168 HydrophobicContact CD2-CD1 4.49Å; Y122-L168 HydrophobicContact CD2-CD2 4.28Å; Y122-L168 HydrophobicContact CD2-CG 4.4Å; Y122-L168 HydrophobicContact CE1-CD2 4.21Å; Y122-L168 HydrophobicContact CE2-CB 4.09Å; Y122-L168 HydrophobicContact CE2-CD2 4.31Å; Y122-L168 VanDerWaalsContact CE2-O 3.31Å; Y122-L168 WeakPolarHBondContact CE2-O 3.36Å; Y122-L168 HydrophobicContact CG-CB 4.25Å; Y122-L168 HydrophobicContact CG-CD1 4.15Å; Y122-L168 HydrophobicContact CG-CD2 4.19Å; Y122-L168 HydrophobicContact CG-CG 4.44Å; C164-L168 PolarHBondContact O-N 3.38Å; R165-L168 PolarHBondContact O-N 3.04Å; A166-L168 PolarHBondContact O-N 2.81Å; L168-Y170 VanDerWaalsContact C-N 3.28Å; L168-Y170 PolarHBondContact O-N 2.85Å; L168-A171 PolarHBondContact O-N 3.26Å
169	K	95.9	Very high	97.2	Very high	131 Å²	131	46.6 Å²	46.6	57%	0.57	24%	0.242	S	C	*	.	H	α-helix	trans	-57.8	-41.2	175.9	179.2	-177	176.4	-168.9	0	112	R165 A166	R165-K169 VanDerWaalsContact O-CB 3.29Å; R165-K169 WeakPolarHBondContact O-CB 3.33Å; R165-K169 PolarHBondContact O-N 3.23Å; A166-K169 PolarHBondContact O-N 3.48Å
170	Y	96.3	Very high	97.4	Very high	41 Å²	41	43.2 Å²	43.2	16%	0.161	22%	0.224	C	C	.	.	H	α-helix	trans	-96.3	-2	-178.8	-58.6	-62.8	0	0	0	113.4	H137 L142 N146 A166 L168	H137-Y170 AromaticContact CD2-CD1 3.72Å; H137-Y170 AromaticContact CD2-CE1 3.79Å; H137-Y170 AromaticContact NE2-CD1 3.97Å; H137-Y170 AromaticContact NE2-CE1 3.61Å; L142-Y170 HydrophobicContact CD2-CD1 3.79Å; L142-Y170 HydrophobicContact CD2-CD2 4.27Å; L142-Y170 HydrophobicContact CD2-CE1 4.28Å; L142-Y170 HydrophobicContact CD2-CG 3.78Å; N146-Y170 WeakPolarHBondContact ND2-CE2 3.34Å; A166-Y170 WeakPolarHBondContact O-CD2 3.39Å; A166-Y170 PolarHBondContact O-N 3.21Å; L168-Y170 VanDerWaalsContact C-N 3.28Å; L168-Y170 PolarHBondContact O-N 2.85Å
171	A	96.7	Very high	97.4	Very high	32 Å²	32	41.1 Å²	41.1	26%	0.264	21%	0.214	S	C	.	.	S	Bend	trans	-73.9	145.7	174.2	0	0	0	0	0	111.5	T167 L168 K173	T167-A171 WeakPolarHBondContact O-CB 3.47Å; T167-A171 PolarHBondContact O-N 2.96Å; L168-A171 PolarHBondContact O-N 3.26Å; A171-K173 PolarHBondContact O-N 3.11Å
172	I	97.6	Very high	97.5	Very high	60 Å²	60	45.2 Å²	45.2	31%	0.308	23%	0.233	S	C	.	.			trans	-67.1	127.8	169.7	-60.8	175.3	0	0	0	108.8	Y122 V133 I134 T174 Y179 M545	Y122-I172 PolarHBondContact OH-O 3.46Å; V133-I172 HydrophobicContact CG1-CG2 4.41Å; I134-I172 HydrophobicContact CB-CG1 4.26Å; I134-I172 HydrophobicContact CD1-CD1 4.05Å; I134-I172 HydrophobicContact CD1-CG1 3.64Å; I134-I172 HydrophobicContact CG1-CG1 3.89Å; I172-T174 VanDerWaalsContact C-N 3.3Å; I172-T174 HydrophobicContact CG2-CG2 4.21Å; I172-T174 PolarHBondContact O-N 3.49Å; I172-Y179 HydrophobicContact CG2-CD2 3.92Å; I172-Y179 HydrophobicContact CG2-CE2 3.56Å; I172-M545 HydrophobicContact CD1-CE 4.32Å; I172-M545 HydrophobicContact CG2-SD 4.15Å
173	K	98.4	Very high	97.6	Very high	21 Å²	21	41.6 Å²	41.6	9%	0.091	21%	0.214	C	C	.	.			trans	-75.7	80	173.2	-66.5	-178.9	178.5	172.8	0	110.2	Y122 E125 T131 K132 V133 A171 A175 H176	Y122-K173 HydrophobicContact CE2-CG 3.88Å; Y122-K173 WeakPolarHBondContact OH-CA 3.31Å; E125-K173 IonicContact OE2-NZ 3.41Å; E125-K173 PolarHBondContact OE2-NZ 3.28Å; T131-K173 PolarHBondContact OG1-NZ 3.32Å; K132-K173 WeakPolarHBondContact O-CD 3.48Å; V133-K173 PolarHBondContact O-N 2.82Å; A171-K173 PolarHBondContact O-N 3.11Å; K173-A175 PolarHBondContact O-N 3.11Å; K173-A175 VanDerWaalsContact O-N 3.13Å; K173-H176 HydrophobicContact CB-CB 4.07Å; K173-H176 WeakPolarHBondContact O-CB 3.5Å; K173-H176 PolarHBondContact O-N 2.88Å
174	T	98.1	Very high	97.7	Very high	64 Å²	64	40.4 Å²	40.4	39%	0.393	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-16.7	-178.2	56.8	0	0	0	0	113.8	I172 H176 Y179 G186	I172-T174 VanDerWaalsContact C-N 3.3Å; I172-T174 HydrophobicContact CG2-CG2 4.21Å; I172-T174 PolarHBondContact O-N 3.49Å; T174-H176 VanDerWaalsContact C-N 3.34Å; T174-Y179 HydrophobicContact CG2-CD1 4.49Å; T174-Y179 HydrophobicContact CG2-CE1 3.92Å; T174-Y179 WeakPolarHBondContact O-CD1 3.16Å; T174-G186 PolarHBondContact O-N 2.76Å
175	A	97.9	Very high	97.7	Very high	3 Å²	3	38.8 Å²	38.8	3%	0.025	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-15.2	173.3	0	0	0	0	0	113.7	F127 K173 L187 N564	F127-A175 HydrophobicContact CZ-CB 4.3Å; K173-A175 PolarHBondContact O-N 3.11Å; K173-A175 VanDerWaalsContact O-N 3.13Å; A175-L187 HydrophobicContact CB-CB 3.38Å; A175-L187 HydrophobicContact CB-CD2 4.27Å; A175-L187 HydrophobicContact CB-CG 4.48Å; A175-N564 PolarHBondContact O-ND2 3.05Å
176	H	98.8	Very high	97.7	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	18%	0.179	C	C	.	.	S	Bend	trans	-57.9	134.4	-173.3	-168.4	-89	0	0	0	111.2	S126 D128 T131 V133 K173 T174 R178 Y179 N564	S126-H176 VanDerWaalsContact O-CA 3.22Å; S126-H176 WeakPolarHBondContact O-CA 3.1Å; S126-H176 PolarHBondContact O-N 2.95Å; D128-H176 PolarHBondContact O-NE2 3.47Å; T131-H176 PolarHBondContact O-NE2 3.16Å; V133-H176 HydrophobicContact CG2-CB 4.17Å; V133-H176 VanDerWaalsContact CG2-ND1 3.29Å; V133-H176 WeakPolarHBondContact CG2-ND1 3.18Å; K173-H176 HydrophobicContact CB-CB 4.07Å; K173-H176 WeakPolarHBondContact O-CB 3.5Å; K173-H176 PolarHBondContact O-N 2.88Å; T174-H176 VanDerWaalsContact C-N 3.34Å; H176-R178 WeakPolarHBondContact ND1-CB 3.45Å; H176-R178 PolarHBondContact ND1-N 3.35Å; H176-R178 PolarHBondContact O-N 3.49Å; H176-Y179 WeakPolarHBondContact O-CB 3.4Å; H176-Y179 PolarHBondContact O-N 2.85Å; H176-N564 PolarHBondContact O-ND2 2.94Å; H176-N564 VanDerWaalsContact O-ND2 3.08Å
177	P	98.6	Very high	97.8	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.006	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-27.5	-178.2	-27.7	35	0	0	0	114.1	R129 F180 A566 D571	R129-P177 HydrophobicContact CG-CB 4.48Å; R129-P177 HydrophobicContact CG-CG 4.24Å; P177-F180 WeakPolarHBondContact O-CE1 3.35Å; P177-F180 WeakPolarHBondContact O-CZ 3.17Å; P177-A566 HydrophobicContact CB-CB 4.5Å; P177-A566 HydrophobicContact CG-CB 4.12Å; P177-D571 WeakPolarHBondContact CB-OD2 3.49Å
178	R	98.6	Very high	97.9	Very high	38 Å²	38	32.4 Å²	32.4	14%	0.143	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	16.4	178.6	-54.2	172.5	178.8	164.2	-6.8	114.3	R129 V133 H176 F180 T544 M545 D571 F574	R129-R178 PolarHBondContact O-NH1 3.1Å; V133-R178 HydrophobicContact CG2-CB 4.44Å; H176-R178 WeakPolarHBondContact ND1-CB 3.45Å; H176-R178 PolarHBondContact ND1-N 3.35Å; H176-R178 PolarHBondContact O-N 3.49Å; R178-F180 HydrophobicContact CB-CE2 4.25Å; R178-T544 WeakPolarHBondContact O-CA 3.16Å; R178-T544 PolarHBondContact O-OG1 2.89Å; R178-M545 PolarHBondContact O-N 2.86Å; R178-D571 HydrophobicContact CG-CB 4.26Å; R178-D571 IonicContact NE-OD1 2.87Å; R178-D571 PolarHBondContact NE-OD1 2.71Å; R178-F574 VanDerWaalsContact CD-CD1 3.48Å; R178-F574 HydrophobicContact CG-CD1 4.32Å
179	Y	98.7	Very high	97.9	Very high	13 Å²	13	34.8 Å²	34.8	5%	0.051	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	106.2	171.8	-178.6	-104.1	0	0	0	110.8	V133 I172 T174 H176 N181 Q182 T185 M545	V133-Y179 HydrophobicContact CG1-CD2 3.8Å; V133-Y179 HydrophobicContact CG1-CG 4.48Å; I172-Y179 HydrophobicContact CG2-CD2 3.92Å; I172-Y179 HydrophobicContact CG2-CE2 3.56Å; T174-Y179 HydrophobicContact CG2-CD1 4.49Å; T174-Y179 HydrophobicContact CG2-CE1 3.92Å; T174-Y179 WeakPolarHBondContact O-CD1 3.16Å; H176-Y179 WeakPolarHBondContact O-CB 3.4Å; H176-Y179 PolarHBondContact O-N 2.85Å; Y179-N181 HydrophobicContact CD2-CB 4.23Å; Y179-N181 HydrophobicContact CE2-CB 3.59Å; Y179-Q182 HydrophobicContact CE1-CB 4.36Å; Y179-Q182 HydrophobicContact CE1-CG 4.42Å; Y179-Q182 WeakPolarHBondContact OH-CG 3.45Å; Y179-T185 HydrophobicContact CD1-CG2 3.62Å; Y179-T185 HydrophobicContact CE1-CG2 3.83Å; Y179-M545 HydrophobicContact CD2-CB 4.04Å; Y179-M545 HydrophobicContact CD2-SD 4.16Å; Y179-M545 HydrophobicContact CE2-CB 4.35Å; Y179-M545 HydrophobicContact CE2-SD 4.05Å
180	F	98.5	Very high	98.1	Very high	1 Å²	1	30.7 Å²	30.7	0%	0.004	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	20	-176.1	-52.9	-69.4	0	0	0	112.8	P177 R178 M545 M560 V561 A567 D571 I572 L575	P177-F180 WeakPolarHBondContact O-CE1 3.35Å; P177-F180 WeakPolarHBondContact O-CZ 3.17Å; R178-F180 HydrophobicContact CB-CE2 4.25Å; F180-M545 CarbonylContact C-O 3.48Å; F180-M545 VanDerWaalsContact CA-O 3.29Å; F180-M545 WeakPolarHBondContact CA-O 3.42Å; F180-M545 PolarHBondContact N-O 3.48Å; F180-M560 HydrophobicContact CB-CE 3.64Å; F180-M560 HydrophobicContact CB-SD 3.44Å; F180-M560 WeakPolarHBondContact CB-SD 3.34Å; F180-M560 HydrophobicContact CD1-CE 3.65Å; F180-M560 HydrophobicContact CD2-CE 3.71Å; F180-M560 HydrophobicContact CD2-SD 4.05Å; F180-M560 HydrophobicContact CE1-CE 4.17Å; F180-M560 HydrophobicContact CE2-CE 4.2Å; F180-M560 HydrophobicContact CG-CE 3.39Å; F180-M560 HydrophobicContact CG-SD 3.82Å; F180-M560 HydrophobicContact CZ-CE 4.41Å; F180-V561 VanDerWaalsContact O-CG2 3.32Å; F180-V561 WeakPolarHBondContact O-CG2 3.47Å; F180-A567 HydrophobicContact CE1-CB 4.08Å; F180-D571 HydrophobicContact CZ-CB 4.19Å; F180-I572 HydrophobicContact CE1-CD1 4.43Å; F180-I572 HydrophobicContact CZ-CD1 4.31Å; F180-L575 HydrophobicContact CD2-CD1 4.25Å; F180-L575 HydrophobicContact CD2-CD2 4.5Å
181	N	98.1	Very high	98.2	Very high	22 Å²	22	28.7 Å²	28.7	12%	0.118	16%	0.158	C	C	.	.	S	Bend	trans	-79.7	-30	-169.2	-165.6	82.3	0	0	0	113.1	Y179 K535 M545 V546 S547 R559	Y179-N181 HydrophobicContact CD2-CB 4.23Å; Y179-N181 HydrophobicContact CE2-CB 3.59Å; N181-K535 PolarHBondContact OD1-NZ 3.09Å; N181-M545 HydrophobicContact CB-CB 4.08Å; N181-M545 PolarHBondContact N-O 3.37Å; N181-V546 PolarHBondContact OD1-O 3.14Å; N181-S547 WeakPolarHBondContact O-CB 3.35Å; N181-S547 PolarHBondContact O-OG 3.45Å; N181-R559 PolarHBondContact O-NH2 3.22Å
182	Q	98.1	Very high	98.3	Very high	91 Å²	91	28.6 Å²	28.6	43%	0.425	15%	0.152	S	C	.	.	S	Bend	trans	-126.4	161.8	-171.2	-60	-61.6	-8.2	0	0	111.6	Y179 S184 T185 V561	Y179-Q182 HydrophobicContact CE1-CB 4.36Å; Y179-Q182 HydrophobicContact CE1-CG 4.42Å; Y179-Q182 WeakPolarHBondContact OH-CG 3.45Å; Q182-S184 PolarHBondContact O-N 3.39Å; Q182-T185 WeakPolarHBondContact O-CG2 3.2Å; Q182-V561 WeakPolarHBondContact O-CG2 3.24Å
183	L	98.2	Very high	98.3	Very high	15 Å²	15	28 Å²	28	8%	0.079	16%	0.156	C	C	.	.	S	Bend	trans	-69.2	-24.7	174.4	-60.3	175.7	0	0	0	112.4	T340 W368 K397 V561 S563	L183-T340 HydrophobicContact CD1-CG2 4.19Å; L183-W368 HydrophobicContact CB-CD2 4.49Å; L183-W368 HydrophobicContact CB-CE3 4.18Å; L183-W368 HydrophobicContact CB-CH2 4.39Å; L183-W368 HydrophobicContact CB-CZ3 4.12Å; L183-W368 HydrophobicContact CD1-CB 4.47Å; L183-W368 HydrophobicContact CD1-CD2 4.33Å; L183-W368 HydrophobicContact CD1-CG 4.27Å; L183-W368 HydrophobicContact CD2-CD2 3.95Å; L183-W368 HydrophobicContact CD2-CE3 4.41Å; L183-W368 HydrophobicContact CD2-CG 4.4Å; L183-W368 HydrophobicContact CD2-CH2 4.15Å; L183-W368 HydrophobicContact CD2-CZ2 3.68Å; L183-W368 HydrophobicContact CD2-CZ3 4.49Å; L183-W368 WeakPolarHBondContact O-CZ3 3.37Å; L183-K397 HydrophobicContact CB-CD 4.06Å; L183-K397 HydrophobicContact CB-CG 4.35Å; L183-K397 HydrophobicContact CD1-CD 4.15Å; L183-V561 HydrophobicContact CD2-CB 4.24Å; L183-V561 HydrophobicContact CD2-CG1 3.75Å; L183-S563 WeakPolarHBondContact O-CB 3.33Å; L183-S563 PolarHBondContact O-OG 3.4Å
184	S	98.3	Very high	98.3	Very high	26 Å²	26	27 Å²	27	18%	0.182	15%	0.152	C	C	.	.	S	Bend	trans	-101.4	113.7	174.7	-67.1	0	0	0	0	108.9	Q182 H396	Q182-S184 PolarHBondContact O-N 3.39Å; S184-H396 WeakPolarHBondContact CB-O 3.5Å; S184-H396 PolarHBondContact OG-O 3.03Å
185	T	98.1	Very high	98.3	Very high	7 Å²	7	25.5 Å²	25.5	4%	0.043	14%	0.141	C	C	.	.			trans	-144.9	166.7	-179.1	64.7	0	0	0	0	109.7	Y179 Q182 S563 N564	Y179-T185 HydrophobicContact CD1-CG2 3.62Å; Y179-T185 HydrophobicContact CE1-CG2 3.83Å; Q182-T185 WeakPolarHBondContact O-CG2 3.2Å; T185-S563 VanDerWaalsContact OG1-C 3.32Å; T185-S563 PolarHBondContact OG1-OG 2.64Å; T185-N564 WeakPolarHBondContact OG1-CA 3.42Å; T185-N564 WeakPolarHBondContact OG1-CB 3.26Å; T185-N564 PolarHBondContact OG1-N 3.04Å
186	G	97.1	Very high	98.4	Very high	14 Å²	14	29.8 Å²	29.8	14%	0.144	16%	0.157	C	C	.	.			trans	84.4	172.4	-177.7	0	0	0	0	0	112.7	T174 N564	T174-G186 PolarHBondContact O-N 2.76Å; G186-N564 WeakPolarHBondContact CA-OD1 3.47Å
187	L	97.7	Very high	98.4	Very high	45 Å²	45	33.7 Å²	33.7	24%	0.236	18%	0.177	C	C	.	.			trans	-140.9	110.4	174.1	179.2	64.8	0	0	0	107.9	I123 F127 A175 M189 L192	I123-L187 HydrophobicContact CG1-CD2 4.26Å; F127-L187 HydrophobicContact CZ-CB 4.22Å; A175-L187 HydrophobicContact CB-CB 3.38Å; A175-L187 HydrophobicContact CB-CD2 4.27Å; A175-L187 HydrophobicContact CB-CG 4.48Å; L187-M189 HydrophobicContact CB-CE 4.26Å; L187-M189 HydrophobicContact CD2-CE 3.91Å; L187-M189 HydrophobicContact CG-CE 3.75Å; L187-M189 VanDerWaalsContact O-CE 3.31Å; L187-M189 WeakPolarHBondContact O-CE 3.5Å; L187-L192 HydrophobicContact CD1-CB 4.24Å; L187-L192 HydrophobicContact CD1-CD1 4.37Å; L187-L192 HydrophobicContact CD1-CD2 4.38Å; L187-L192 HydrophobicContact CD2-CD2 4.27Å; L187-L192 HydrophobicContact CG-CD2 4.5Å
188	D	98.5	Very high	98.4	Very high	18 Å²	18	33.9 Å²	33.9	10%	0.096	18%	0.178	C	C	.	.			trans	-84.6	125.1	176.7	-170.9	-85.3	0	0	0	110.1	V190 G191 L192 M459 K463	D188-V190 VanDerWaalsContact C-N 3.3Å; D188-V190 PolarHBondContact O-N 3.43Å; D188-V190 WeakPolarHBondContact OD1-CA 3.48Å; D188-V190 WeakPolarHBondContact OD1-CB 3.21Å; D188-V190 PolarHBondContact OD1-N 2.95Å; D188-G191 PolarHBondContact O-N 2.77Å; D188-G191 PolarHBondContact OD1-N 2.77Å; D188-L192 WeakPolarHBondContact O-CB 3.41Å; D188-L192 PolarHBondContact O-N 3.36Å; D188-M459 HydrophobicContact CB-CE 3.74Å; D188-M459 HydrophobicContact CB-SD 4.22Å; D188-K463 WeakPolarHBondContact OD2-CE 3.43Å; D188-K463 IonicContact OD2-NZ 3.43Å; D188-K463 PolarHBondContact OD2-NZ 3.26Å
189	M	98.4	Very high	98.4	Very high	86 Å²	86	35.9 Å²	35.9	42%	0.424	20%	0.199	S	C	.	.	H	α-helix	trans	-64.7	-33.7	-176.2	-63.1	-59	110.7	0	0	112.9	I123 F127 L187 A193	I123-M189 HydrophobicContact CG2-CE 4.1Å; I123-M189 HydrophobicContact CG2-SD 3.96Å; F127-M189 HydrophobicContact CE2-CE 3.45Å; F127-M189 VanDerWaalsContact CE2-CE 3.45Å; F127-M189 HydrophobicContact CZ-CE 3.48Å; F127-M189 VanDerWaalsContact CZ-CE 3.48Å; L187-M189 HydrophobicContact CB-CE 4.26Å; L187-M189 HydrophobicContact CD2-CE 3.91Å; L187-M189 HydrophobicContact CG-CE 3.75Å; L187-M189 VanDerWaalsContact O-CE 3.31Å; L187-M189 WeakPolarHBondContact O-CE 3.5Å; M189-A193 WeakPolarHBondContact O-CB 3.35Å; M189-A193 PolarHBondContact O-N 3.08Å
190	V	98.7	Very high	98.4	Very high	45 Å²	45	41.2 Å²	41.2	27%	0.273	23%	0.232	S	C	.	.	H	α-helix	trans	-74.5	-39.8	176.9	179.1	0	0	0	0	109.8	D188 A193 A194 L458 M459 A462	D188-V190 VanDerWaalsContact C-N 3.3Å; D188-V190 PolarHBondContact O-N 3.43Å; D188-V190 WeakPolarHBondContact OD1-CA 3.48Å; D188-V190 WeakPolarHBondContact OD1-CB 3.21Å; D188-V190 PolarHBondContact OD1-N 2.95Å; V190-A193 PolarHBondContact O-N 3.17Å; V190-A194 WeakPolarHBondContact O-CB 3.45Å; V190-A194 PolarHBondContact O-N 3.26Å; V190-L458 HydrophobicContact CG1-CB 4.14Å; V190-L458 HydrophobicContact CG1-CD2 3.78Å; V190-L458 HydrophobicContact CG1-CG 3.58Å; V190-M459 HydrophobicContact CB-CG 4.15Å; V190-M459 HydrophobicContact CG1-CG 4.14Å; V190-A462 HydrophobicContact CB-CB 4.4Å; V190-A462 HydrophobicContact CG1-CB 3.97Å; V190-A462 HydrophobicContact CG2-CB 3.87Å
191	G	98.6	Very high	98.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-58.1	-46.1	171.9	0	0	0	0	0	112.5	D188 A194 D195 M459	D188-G191 PolarHBondContact O-N 2.77Å; D188-G191 PolarHBondContact OD1-N 2.77Å; G191-A194 WeakPolarHBondContact O-CB 3.39Å; G191-A194 PolarHBondContact O-N 3.47Å; G191-D195 PolarHBondContact O-N 2.73Å; G191-M459 VanDerWaalsContact CA-SD 3.54Å
192	L	98.7	Very high	98.4	Very high	30 Å²	30	49.4 Å²	49.4	16%	0.157	28%	0.283	C	S	.	.	H	α-helix	trans	-63	-48.4	178.4	179.1	62.8	0	0	0	111.9	I123 L187 D188 A194 D195 W196	I123-L192 HydrophobicContact CD1-CD2 3.51Å; I123-L192 HydrophobicContact CG1-CD2 4.11Å; L187-L192 HydrophobicContact CD1-CB 4.24Å; L187-L192 HydrophobicContact CD1-CD1 4.37Å; L187-L192 HydrophobicContact CD1-CD2 4.38Å; L187-L192 HydrophobicContact CD2-CD2 4.27Å; L187-L192 HydrophobicContact CG-CD2 4.5Å; D188-L192 WeakPolarHBondContact O-CB 3.41Å; D188-L192 PolarHBondContact O-N 3.36Å; L192-A194 PolarHBondContact O-N 3.21Å; L192-D195 PolarHBondContact O-N 2.64Å; L192-D195 VanDerWaalsContact O-N 3.1Å; L192-W196 HydrophobicContact CD1-CZ2 4.29Å; L192-W196 HydrophobicContact CD2-CH2 4.4Å; L192-W196 HydrophobicContact CD2-CZ2 3.86Å; L192-W196 HydrophobicContact CG-CD2 4.48Å; L192-W196 HydrophobicContact CG-CZ2 3.96Å; L192-W196 PolarHBondContact O-N 3.14Å
193	A	98.8	Very high	98.4	Very high	46 Å²	46	47.1 Å²	47.1	38%	0.38	28%	0.275	S	S	.	.	H	α-helix	trans	-59.4	-35.1	176.2	0	0	0	0	0	111.9	M189 V190 W196 L197	M189-A193 WeakPolarHBondContact O-CB 3.35Å; M189-A193 PolarHBondContact O-N 3.08Å; V190-A193 PolarHBondContact O-N 3.17Å; A193-W196 PolarHBondContact O-N 3.17Å; A193-L197 PolarHBondContact O-N 2.78Å
194	A	98.7	Very high	98.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-69.4	-37.4	175.2	0	0	0	0	0	113.1	V190 G191 L192 L197 T198 F454 K455 L458	V190-A194 WeakPolarHBondContact O-CB 3.45Å; V190-A194 PolarHBondContact O-N 3.26Å; G191-A194 WeakPolarHBondContact O-CB 3.39Å; G191-A194 PolarHBondContact O-N 3.47Å; L192-A194 PolarHBondContact O-N 3.21Å; A194-L197 PolarHBondContact O-N 2.95Å; A194-T198 VanDerWaalsContact O-CB 3.27Å; A194-T198 WeakPolarHBondContact O-CB 3.42Å; A194-T198 PolarHBondContact O-N 3Å; A194-T198 PolarHBondContact O-OG1 3.02Å; A194-F454 HydrophobicContact CB-CD1 3.67Å; A194-F454 HydrophobicContact CB-CE1 3.87Å; A194-K455 HydrophobicContact CB-CB 3.71Å; A194-L458 HydrophobicContact CB-CB 4.29Å; A194-L458 HydrophobicContact CB-CD2 3.86Å
195	D	98.3	Very high	98.4	Very high	33 Å²	33	47 Å²	47	18%	0.176	27%	0.273	C	S	.	.	H	α-helix	trans	-66.2	-38.3	173.6	-86.7	-22.9	0	0	0	111.6	G191 L192 T198 S199 P402 K455	G191-D195 PolarHBondContact O-N 2.73Å; L192-D195 PolarHBondContact O-N 2.64Å; L192-D195 VanDerWaalsContact O-N 3.1Å; D195-T198 PolarHBondContact O-N 3.02Å; D195-S199 WeakPolarHBondContact O-CB 3.48Å; D195-S199 PolarHBondContact O-N 3.26Å; D195-S199 PolarHBondContact O-OG 3.01Å; D195-P402 WeakPolarHBondContact OD2-CB 3.37Å; D195-K455 VanDerWaalsContact OD1-CD 3.29Å; D195-K455 WeakPolarHBondContact OD1-CD 3.44Å; D195-K455 WeakPolarHBondContact OD1-CE 3.5Å; D195-K455 IonicContact OD1-NZ 2.86Å; D195-K455 PolarHBondContact OD1-NZ 2.95Å; D195-K455 IonicContact OD2-NZ 2.73Å
196	W	98.7	Very high	98.4	Very high	94 Å²	94	48.5 Å²	48.5	36%	0.356	28%	0.279	S	S	.	.	H	α-helix	trans	-59.5	-50.2	172.2	-65.6	-10	0	0	0	111	L119 M120 I123 L192 A193 T198 S199 T200	L119-W196 HydrophobicContact CB-CZ2 4.48Å; L119-W196 HydrophobicContact CD1-CZ2 4.13Å; M120-W196 HydrophobicContact SD-CH2 4.25Å; I123-W196 HydrophobicContact CD1-CH2 4.27Å; I123-W196 HydrophobicContact CD1-CZ2 4.23Å; L192-W196 HydrophobicContact CD1-CZ2 4.29Å; L192-W196 HydrophobicContact CD2-CH2 4.4Å; L192-W196 HydrophobicContact CD2-CZ2 3.86Å; L192-W196 HydrophobicContact CG-CD2 4.48Å; L192-W196 HydrophobicContact CG-CZ2 3.96Å; L192-W196 PolarHBondContact O-N 3.14Å; A193-W196 PolarHBondContact O-N 3.17Å; W196-T198 VanDerWaalsContact C-N 3.33Å; W196-T198 PolarHBondContact O-N 3.29Å; W196-S199 PolarHBondContact O-N 2.83Å; W196-T200 PolarHBondContact O-N 3.01Å; W196-T200 PolarHBondContact O-OG1 3Å
197	L	98.8	Very high	98.4	Very high	82 Å²	82	48 Å²	48	43%	0.429	27%	0.273	S	S	.	.	H	α-helix	trans	-60.5	-43.6	177.2	-173.7	154.6	0	0	0	112	A193 A194 S199 T200 A201 F214 F454	A193-L197 PolarHBondContact O-N 2.78Å; A194-L197 PolarHBondContact O-N 2.95Å; L197-S199 VanDerWaalsContact C-N 3.32Å; L197-S199 PolarHBondContact O-N 2.87Å; L197-T200 WeakPolarHBondContact O-CB 3.47Å; L197-T200 PolarHBondContact O-N 3.35Å; L197-A201 PolarHBondContact O-N 2.95Å; L197-F214 HydrophobicContact CD2-CZ 4.45Å; L197-F454 HydrophobicContact CB-CE1 3.95Å; L197-F454 HydrophobicContact CD1-CE1 3.72Å; L197-F454 HydrophobicContact CD1-CZ 3.8Å; L197-F454 HydrophobicContact CD2-CD1 3.9Å; L197-F454 HydrophobicContact CD2-CE1 3.54Å; L197-F454 HydrophobicContact CD2-CZ 3.92Å; L197-F454 HydrophobicContact CG-CE1 3.93Å; L197-F454 HydrophobicContact CG-CZ 4.39Å
198	T	98.7	Very high	98.4	Very high	5 Å²	5	49.3 Å²	49.3	3%	0.031	28%	0.275	C	S	.	.	H	α-helix	trans	-62.1	-42.7	-179.9	-59.7	0	0	0	0	111.1	A194 D195 W196 A201 N202 V451	A194-T198 VanDerWaalsContact O-CB 3.27Å; A194-T198 WeakPolarHBondContact O-CB 3.42Å; A194-T198 PolarHBondContact O-N 3Å; A194-T198 PolarHBondContact O-OG1 3.02Å; D195-T198 PolarHBondContact O-N 3.02Å; W196-T198 VanDerWaalsContact C-N 3.33Å; W196-T198 PolarHBondContact O-N 3.29Å; T198-A201 PolarHBondContact O-N 3.47Å; T198-N202 PolarHBondContact O-N 3.46Å; T198-V451 HydrophobicContact CG2-CB 3.67Å; T198-V451 HydrophobicContact CG2-CG1 4.07Å; T198-V451 WeakPolarHBondContact CG2-O 3.49Å
199	S	98.6	Very high	98.4	Very high	81 Å²	81	53.8 Å²	53.8	57%	0.566	30%	0.295	S	S	*	.	H	α-helix	trans	-66	-38.4	176.9	-56	0	0	0	0	111.6	D195 W196 L197 A201 N202	D195-S199 WeakPolarHBondContact O-CB 3.48Å; D195-S199 PolarHBondContact O-N 3.26Å; D195-S199 PolarHBondContact O-OG 3.01Å; W196-S199 PolarHBondContact O-N 2.83Å; L197-S199 VanDerWaalsContact C-N 3.32Å; L197-S199 PolarHBondContact O-N 2.87Å; S199-A201 VanDerWaalsContact C-N 3.32Å; S199-A201 PolarHBondContact O-N 2.93Å; S199-N202 PolarHBondContact O-N 2.75Å
200	T	98.7	Very high	98.4	Very high	124 Å²	124	52.4 Å²	52.4	76%	0.761	29%	0.292	S	S	*	.	H	α-helix	trans	-63.4	-37.2	172.5	-55.3	0	0	0	0	112.1	W196 L197	W196-T200 PolarHBondContact O-N 3.01Å; W196-T200 PolarHBondContact O-OG1 3Å; L197-T200 WeakPolarHBondContact O-CB 3.47Å; L197-T200 PolarHBondContact O-N 3.35Å
201	A	98.6	Very high	98.4	Very high	48 Å²	48	50.4 Å²	50.4	40%	0.397	28%	0.28	S	S	.	.	H	α-helix	trans	-73.8	-30.6	179.6	0	0	0	0	0	113.5	L197 T198 S199 T203 F214	L197-A201 PolarHBondContact O-N 2.95Å; T198-A201 PolarHBondContact O-N 3.47Å; S199-A201 VanDerWaalsContact C-N 3.32Å; S199-A201 PolarHBondContact O-N 2.93Å; A201-T203 VanDerWaalsContact C-N 3.28Å; A201-T203 PolarHBondContact O-N 3.45Å; A201-F214 HydrophobicContact CB-CE2 4.09Å; A201-F214 HydrophobicContact CB-CZ 4.04Å
202	N	98.5	Very high	98.4	Very high	147 Å²	147	52.7 Å²	52.7	79%	0.786	30%	0.295	S	S	*	.			trans	39.1	48.8	173.5	-166	28	0	0	0	115.3	T198 S199	T198-N202 PolarHBondContact O-N 3.46Å; S199-N202 PolarHBondContact O-N 2.75Å
203	T	98.5	Very high	98.4	Very high	43 Å²	43	55.7 Å²	55.7	26%	0.264	31%	0.314	S	S	.	.			trans	-112.6	179.6	179.6	-166.7	0	0	0	0	112.3	A201 V210 A211 F214 V451	A201-T203 VanDerWaalsContact C-N 3.28Å; A201-T203 PolarHBondContact O-N 3.45Å; T203-V210 PolarHBondContact OG1-O 3.03Å; T203-A211 HydrophobicContact CG2-CB 3.9Å; T203-F214 HydrophobicContact CG2-CD2 3.58Å; T203-F214 HydrophobicContact CG2-CE2 3.57Å; T203-V451 HydrophobicContact CG2-CG2 4.07Å
204	N	98.6	Very high	98.4	Very high	40 Å²	40	54.5 Å²	54.5	21%	0.214	30%	0.3	C	S	.	.			trans	-121.5	143.7	-172.7	-149.8	-63	0	0	0	113.2	F206 V210 A211 G448 R449	N204-F206 VanDerWaalsContact C-N 3.35Å; N204-F206 HydrophobicContact CB-CD1 3.67Å; N204-F206 HydrophobicContact CB-CE1 3.39Å; N204-F206 HydrophobicContact CB-CG 4.33Å; N204-F206 HydrophobicContact CB-CZ 3.86Å; N204-F206 PolarHBondContact O-N 3.08Å; N204-F206 WeakPolarHBondContact OD1-CD1 3.47Å; N204-V210 HydrophobicContact CB-CG2 4.36Å; N204-V210 WeakPolarHBondContact O-CG2 2.98Å; N204-A211 WeakPolarHBondContact O-CB 3.21Å; N204-G448 VanDerWaalsContact ND2-CA 3.31Å; N204-G448 WeakPolarHBondContact ND2-CA 3.4Å; N204-G448 WeakPolarHBondContact OD1-CA 3.35Å; N204-R449 PolarHBondContact OD1-N 2.96Å; N204-R449 PolarHBondContact OD1-O 2.86Å
205	M	98.4	Very high	98.4	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	8.6	-175.4	-70.5	-65.8	-63.4	0	0	115.5	A211 F214 V215 E218 T440 R449 V451 I453	M205-A211 HydrophobicContact SD-CB 4.5Å; M205-F214 HydrophobicContact CE-CB 4.32Å; M205-F214 HydrophobicContact SD-CB 3.48Å; M205-F214 WeakPolarHBondContact SD-CB 3.32Å; M205-V215 HydrophobicContact CE-CG2 4.36Å; M205-E218 HydrophobicContact CE-CB 3.85Å; M205-E218 HydrophobicContact CE-CG 4.36Å; M205-E218 WeakPolarHBondContact CE-OE2 3.27Å; M205-T440 PolarHBondContact O-OG1 3.26Å; M205-R449 HydrophobicContact CB-CB 4.11Å; M205-R449 HydrophobicContact CB-CG 4.19Å; M205-R449 PolarHBondContact N-O 3.46Å; M205-R449 PolarHBondContact O-NH2 3.26Å; M205-V451 HydrophobicContact CG-CB 4.29Å; M205-V451 HydrophobicContact CG-CG2 3.8Å; M205-V451 HydrophobicContact SD-CB 4.3Å; M205-V451 HydrophobicContact SD-CG1 4.21Å; M205-V451 HydrophobicContact SD-CG2 3.83Å; M205-I453 HydrophobicContact CE-CG2 4.12Å; M205-I453 HydrophobicContact SD-CG2 4.35Å
206	F	96.4	Very high	98.4	Very high	38 Å²	38	56.2 Å²	56.2	17%	0.167	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-30.8	-174.1	51.1	-125.3	0	0	0	114.6	N204 V210 L427 T440 G441	N204-F206 VanDerWaalsContact C-N 3.35Å; N204-F206 HydrophobicContact CB-CD1 3.67Å; N204-F206 HydrophobicContact CB-CE1 3.39Å; N204-F206 HydrophobicContact CB-CG 4.33Å; N204-F206 HydrophobicContact CB-CZ 3.86Å; N204-F206 PolarHBondContact O-N 3.08Å; N204-F206 WeakPolarHBondContact OD1-CD1 3.47Å; F206-V210 HydrophobicContact CD2-CG2 4.01Å; F206-V210 HydrophobicContact CE2-CB 4.36Å; F206-V210 HydrophobicContact CE2-CG1 4.05Å; F206-V210 HydrophobicContact CE2-CG2 3.36Å; F206-V210 HydrophobicContact CZ-CG1 4.46Å; F206-V210 HydrophobicContact CZ-CG2 3.83Å; F206-L427 HydrophobicContact CB-CD2 4.23Å; F206-L427 HydrophobicContact CD1-CD1 4.35Å; F206-L427 HydrophobicContact CD1-CD2 4.41Å; F206-L427 HydrophobicContact CD2-CD1 3.66Å; F206-L427 HydrophobicContact CD2-CG 4.37Å; F206-L427 HydrophobicContact CE1-CD1 4.35Å; F206-L427 HydrophobicContact CE2-CD1 3.67Å; F206-L427 HydrophobicContact CG-CD1 4.06Å; F206-L427 HydrophobicContact CG-CD2 4.18Å; F206-L427 HydrophobicContact CZ-CD1 4.04Å; F206-T440 PolarHBondContact O-N 3.07Å; F206-G441 WeakPolarHBondContact O-CA 3.44Å; F206-G441 PolarHBondContact O-N 2.87Å
207	T	98.2	Very high	98.4	Very high	3 Å²	3	52.7 Å²	52.7	2%	0.018	30%	0.297	C	S	.	.			trans	-143.5	150.5	-173.3	58.6	0	0	0	0	110.1	E209 A211 L427 F428 D439	T207-E209 PolarHBondContact O-N 3.01Å; T207-A211 PolarHBondContact O-N 3.08Å; T207-L427 HydrophobicContact CG2-CD1 4.39Å; T207-L427 HydrophobicContact CG2-CG 4.49Å; T207-F428 HydrophobicContact CG2-CD1 4.5Å; T207-F428 HydrophobicContact CG2-CE1 4.46Å; T207-D439 VanDerWaalsContact CA-OD1 3.26Å; T207-D439 WeakPolarHBondContact CA-OD1 3.29Å; T207-D439 VanDerWaalsContact CB-OD1 3.3Å; T207-D439 WeakPolarHBondContact CB-OD1 3.29Å; T207-D439 HydrophobicContact CG2-CB 4.27Å; T207-D439 WeakPolarHBondContact CG2-OD2 3.41Å
208	Y	98.3	Very high	98.4	Very high	73 Å²	73	49 Å²	49	29%	0.286	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-36.4	170.8	179.5	-97.2	0	0	0	112.2	V210 A211 P212 V215 L216 Y434 D439	Y208-V210 VanDerWaalsContact C-N 3.34Å; Y208-V210 PolarHBondContact O-N 3.06Å; Y208-A211 CarbonylContact O-C 3.54Å; Y208-A211 PolarHBondContact O-N 3.07Å; Y208-P212 HydrophobicContact CD1-CB 4.3Å; Y208-P212 HydrophobicContact CD2-CB 3.97Å; Y208-P212 HydrophobicContact CE1-CB 3.92Å; Y208-P212 HydrophobicContact CE2-CB 3.54Å; Y208-P212 WeakPolarHBondContact CE2-O 3.25Å; Y208-P212 HydrophobicContact CG-CB 4.32Å; Y208-P212 WeakPolarHBondContact O-CA 3.14Å; Y208-P212 WeakPolarHBondContact O-CB 3.26Å; Y208-P212 WeakPolarHBondContact O-CD 3.21Å; Y208-V215 HydrophobicContact CD2-CB 4.45Å; Y208-V215 HydrophobicContact CD2-CG1 4.31Å; Y208-L216 HydrophobicContact CE2-CD1 4.04Å; Y208-L216 HydrophobicContact CE2-CD2 4.4Å; Y208-L216 HydrophobicContact CE2-CG 4.02Å; Y208-Y434 HydrophobicContact CD1-CD1 4.4Å; Y208-Y434 AromaticContact CD1-CD2 3.87Å; Y208-Y434 HydrophobicContact CD1-CD2 3.87Å; Y208-Y434 HydrophobicContact CD1-CE1 4.49Å; Y208-Y434 HydrophobicContact CD1-CE2 4.01Å; Y208-Y434 HydrophobicContact CD1-CG 4.1Å; Y208-Y434 HydrophobicContact CG-CD2 4.38Å; Y208-Y434 HydrophobicContact CG-CE2 4.25Å; Y208-D439 PolarHBondContact N-OD1 3.01Å
209	E	98	Very high	98.4	Very high	111 Å²	111	54.5 Å²	54.5	52%	0.519	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-45.3	-177.8	-168.4	174.4	134	0	0	114.3	T207 K432 Y434	T207-E209 PolarHBondContact O-N 3.01Å; E209-K432 IonicContact OE2-NZ 3.94Å; E209-Y434 HydrophobicContact CB-CE1 3.96Å; E209-Y434 HydrophobicContact CG-CE1 4.47Å; E209-Y434 PolarHBondContact N-OH 2.84Å
210	V	97.6	Very high	98.4	Very high	58 Å²	58	54 Å²	54	35%	0.352	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-15.4	-176.2	-52.9	0	0	0	0	113.6	T203 N204 F206 Y208	T203-V210 PolarHBondContact OG1-O 3.03Å; N204-V210 HydrophobicContact CB-CG2 4.36Å; N204-V210 WeakPolarHBondContact O-CG2 2.98Å; F206-V210 HydrophobicContact CD2-CG2 4.01Å; F206-V210 HydrophobicContact CE2-CB 4.36Å; F206-V210 HydrophobicContact CE2-CG1 4.05Å; F206-V210 HydrophobicContact CE2-CG2 3.36Å; F206-V210 HydrophobicContact CZ-CG1 4.46Å; F206-V210 HydrophobicContact CZ-CG2 3.83Å; Y208-V210 VanDerWaalsContact C-N 3.34Å; Y208-V210 PolarHBondContact O-N 3.06Å
211	A	98.4	Very high	98.4	Very high	2 Å²	2	48.4 Å²	48.4	2%	0.017	26%	0.258	C	S	.	.			trans	-140.8	52	-177.2	0	0	0	0	0	113.1	T203 N204 M205 T207 Y208 V213 F214 V215	T203-A211 HydrophobicContact CG2-CB 3.9Å; N204-A211 WeakPolarHBondContact O-CB 3.21Å; M205-A211 HydrophobicContact SD-CB 4.5Å; T207-A211 PolarHBondContact O-N 3.08Å; Y208-A211 CarbonylContact O-C 3.54Å; Y208-A211 PolarHBondContact O-N 3.07Å; A211-V213 VanDerWaalsContact C-N 3.34Å; A211-V213 PolarHBondContact O-N 3.31Å; A211-F214 HydrophobicContact CB-CB 4.37Å; A211-F214 HydrophobicContact CB-CD2 4.2Å; A211-F214 PolarHBondContact O-N 3.45Å; A211-F214 VanDerWaalsContact O-N 3.17Å; A211-V215 HydrophobicContact CB-CG2 4.4Å; A211-V215 WeakPolarHBondContact O-CB 3.47Å; A211-V215 WeakPolarHBondContact O-CG2 3.41Å; A211-V215 PolarHBondContact O-N 3.01Å
212	P	98.3	Very high	98.4	Very high	49 Å²	49	46.3 Å²	46.3	32%	0.318	24%	0.24	S	C	.	.	H	α-helix	trans	-62	-41.8	-166.5	23.1	-33.6	0	0	0	112.5	Y208 L216	Y208-P212 HydrophobicContact CD1-CB 4.3Å; Y208-P212 HydrophobicContact CD2-CB 3.97Å; Y208-P212 HydrophobicContact CE1-CB 3.92Å; Y208-P212 HydrophobicContact CE2-CB 3.54Å; Y208-P212 WeakPolarHBondContact CE2-O 3.25Å; Y208-P212 HydrophobicContact CG-CB 4.32Å; Y208-P212 WeakPolarHBondContact O-CA 3.14Å; Y208-P212 WeakPolarHBondContact O-CB 3.26Å; Y208-P212 WeakPolarHBondContact O-CD 3.21Å; P212-L216 WeakPolarHBondContact O-CG 3.43Å; P212-L216 PolarHBondContact O-N 2.98Å
213	V	98.7	Very high	98.4	Very high	92 Å²	92	42.9 Å²	42.9	56%	0.558	22%	0.218	S	C	*	.	H	α-helix	trans	-65.9	-51.9	177	176.5	0	0	0	0	110.4	A211 V215 L216 L217	A211-V213 VanDerWaalsContact C-N 3.34Å; A211-V213 PolarHBondContact O-N 3.31Å; V213-V215 PolarHBondContact O-N 2.84Å; V213-L216 PolarHBondContact O-N 3.33Å; V213-L217 HydrophobicContact CG1-CD1 4.07Å; V213-L217 HydrophobicContact CG1-CG 4.16Å; V213-L217 WeakPolarHBondContact O-CG 3.35Å; V213-L217 PolarHBondContact O-N 2.94Å
214	F	98.8	Very high	98.4	Very high	21 Å²	21	44.9 Å²	44.9	9%	0.092	22%	0.223	C	C	.	.	H	α-helix	trans	-66.3	-36.3	-173.1	-56.6	-56.2	0	0	0	112.9	L197 A201 T203 M205 A211 L216 L217 E218 V451 I453 F454	L197-F214 HydrophobicContact CD2-CZ 4.45Å; A201-F214 HydrophobicContact CB-CE2 4.09Å; A201-F214 HydrophobicContact CB-CZ 4.04Å; T203-F214 HydrophobicContact CG2-CD2 3.58Å; T203-F214 HydrophobicContact CG2-CE2 3.57Å; M205-F214 HydrophobicContact CE-CB 4.32Å; M205-F214 HydrophobicContact SD-CB 3.48Å; M205-F214 WeakPolarHBondContact SD-CB 3.32Å; A211-F214 HydrophobicContact CB-CB 4.37Å; A211-F214 HydrophobicContact CB-CD2 4.2Å; A211-F214 PolarHBondContact O-N 3.45Å; A211-F214 VanDerWaalsContact O-N 3.17Å; F214-L216 PolarHBondContact O-N 3.23Å; F214-L217 PolarHBondContact O-N 2.76Å; F214-E218 WeakPolarHBondContact O-CB 3.34Å; F214-E218 PolarHBondContact O-N 3.14Å; F214-V451 HydrophobicContact CB-CG1 3.83Å; F214-V451 HydrophobicContact CB-CG2 4.49Å; F214-V451 HydrophobicContact CD1-CG1 3.55Å; F214-V451 HydrophobicContact CD2-CG1 3.93Å; F214-V451 HydrophobicContact CD2-CG2 3.94Å; F214-V451 HydrophobicContact CE1-CG1 4.03Å; F214-V451 HydrophobicContact CE2-CG1 4.37Å; F214-V451 HydrophobicContact CE2-CG2 4.41Å; F214-V451 HydrophobicContact CG-CG1 3.49Å; F214-V451 VanDerWaalsContact CG-CG1 3.49Å; F214-V451 HydrophobicContact CG-CG2 4.25Å; F214-V451 HydrophobicContact CZ-CG1 4.41Å; F214-I453 HydrophobicContact CB-CG2 4.21Å; F214-F454 HydrophobicContact CD1-CB 4Å; F214-F454 HydrophobicContact CD1-CD2 4.21Å; F214-F454 HydrophobicContact CD1-CG 4.35Å; F214-F454 HydrophobicContact CE1-CB 3.84Å; F214-F454 AromaticContact CE1-CD2 3.8Å; F214-F454 HydrophobicContact CE1-CD2 3.8Å; F214-F454 AromaticContact CE1-CG 3.83Å; F214-F454 HydrophobicContact CE1-CG 3.83Å
215	V	98.8	Very high	98.4	Very high	5 Å²	5	43 Å²	43	3%	0.03	21%	0.213	C	C	.	.	H	α-helix	trans	-59.1	-46.2	172.8	166.3	0	0	0	0	111.2	M205 Y208 A211 V213 E218 Y219 Y438	M205-V215 HydrophobicContact CE-CG2 4.36Å; Y208-V215 HydrophobicContact CD2-CB 4.45Å; Y208-V215 HydrophobicContact CD2-CG1 4.31Å; A211-V215 HydrophobicContact CB-CG2 4.4Å; A211-V215 WeakPolarHBondContact O-CB 3.47Å; A211-V215 WeakPolarHBondContact O-CG2 3.41Å; A211-V215 PolarHBondContact O-N 3.01Å; V213-V215 PolarHBondContact O-N 2.84Å; V215-E218 PolarHBondContact O-N 2.95Å; V215-Y219 PolarHBondContact O-N 2.98Å; V215-Y438 VanDerWaalsContact CG1-O 3.25Å; V215-Y438 WeakPolarHBondContact CG1-O 3.38Å
216	L	98.8	Very high	98.5	Very high	64 Å²	64	43.7 Å²	43.7	34%	0.335	22%	0.216	S	C	.	.	H	α-helix	trans	-67	-38.8	177.6	-66.3	177.5	0	0	0	112.1	Y208 P212 V213 F214 E218 Y219 V220 Y438	Y208-L216 HydrophobicContact CE2-CD1 4.04Å; Y208-L216 HydrophobicContact CE2-CD2 4.4Å; Y208-L216 HydrophobicContact CE2-CG 4.02Å; P212-L216 WeakPolarHBondContact O-CG 3.43Å; P212-L216 PolarHBondContact O-N 2.98Å; V213-L216 PolarHBondContact O-N 3.33Å; F214-L216 PolarHBondContact O-N 3.23Å; L216-E218 VanDerWaalsContact C-N 3.28Å; L216-E218 PolarHBondContact O-N 3.26Å; L216-Y219 WeakPolarHBondContact O-CB 3.29Å; L216-Y219 PolarHBondContact O-N 2.7Å; L216-V220 WeakPolarHBondContact O-CG2 3.4Å; L216-V220 PolarHBondContact O-N 3.49Å; L216-Y438 HydrophobicContact CD2-CD1 3.9Å; L216-Y438 HydrophobicContact CD2-CE1 3.67Å
217	L	98.8	Very high	98.6	Very high	20 Å²	20	45.3 Å²	45.3	11%	0.105	22%	0.224	C	C	.	.	H	α-helix	trans	-62.7	-36.2	174.8	-65.2	-170.8	0	0	0	112.1	V213 F214 V220 T221 I453 F454 W457	V213-L217 HydrophobicContact CG1-CD1 4.07Å; V213-L217 HydrophobicContact CG1-CG 4.16Å; V213-L217 WeakPolarHBondContact O-CG 3.35Å; V213-L217 PolarHBondContact O-N 2.94Å; F214-L217 PolarHBondContact O-N 2.76Å; L217-V220 WeakPolarHBondContact O-CG2 3.23Å; L217-T221 VanDerWaalsContact O-CB 3.26Å; L217-T221 WeakPolarHBondContact O-CB 3.27Å; L217-T221 PolarHBondContact O-N 3.08Å; L217-T221 VanDerWaalsContact O-N 3.11Å; L217-T221 PolarHBondContact O-OG1 3.26Å; L217-I453 HydrophobicContact CB-CG1 4.04Å; L217-F454 HydrophobicContact CD1-CD2 3.73Å; L217-F454 HydrophobicContact CD1-CE2 4.27Å; L217-W457 HydrophobicContact CB-CG 4.36Å; L217-W457 HydrophobicContact CD1-CD2 3.88Å; L217-W457 HydrophobicContact CD1-CE3 3.92Å; L217-W457 HydrophobicContact CD1-CG 4.13Å; L217-W457 HydrophobicContact CD1-CZ3 4.46Å; L217-W457 HydrophobicContact CD2-CD2 3.81Å; L217-W457 VanDerWaalsContact CD2-CE2 3.49Å; L217-W457 HydrophobicContact CD2-CE3 4.46Å; L217-W457 HydrophobicContact CD2-CG 4.05Å; L217-W457 HydrophobicContact CD2-CZ2 3.89Å; L217-W457 HydrophobicContact CG-CD2 4.36Å; L217-W457 HydrophobicContact CG-CG 4.4Å
218	E	98.8	Very high	98.6	Very high	4 Å²	4	46 Å²	46	2%	0.019	23%	0.227	C	C	.	.	H	α-helix	trans	-68.8	-45.3	176.8	-179.1	165.6	109.3	0	0	110.5	M205 F214 V215 L216 V220 T221 L222 F240 R449 I453	M205-E218 HydrophobicContact CE-CB 3.85Å; M205-E218 HydrophobicContact CE-CG 4.36Å; M205-E218 WeakPolarHBondContact CE-OE2 3.27Å; F214-E218 WeakPolarHBondContact O-CB 3.34Å; F214-E218 PolarHBondContact O-N 3.14Å; V215-E218 PolarHBondContact O-N 2.95Å; L216-E218 VanDerWaalsContact C-N 3.28Å; L216-E218 PolarHBondContact O-N 3.26Å; E218-V220 PolarHBondContact O-N 2.8Å; E218-T221 PolarHBondContact O-N 2.98Å; E218-L222 HydrophobicContact CG-CD1 3.56Å; E218-L222 HydrophobicContact CG-CG 4.13Å; E218-L222 WeakPolarHBondContact O-CB 3.4Å; E218-L222 VanDerWaalsContact O-CG 3.24Å; E218-L222 WeakPolarHBondContact O-CG 3.48Å; E218-L222 PolarHBondContact O-N 3.41Å; E218-F240 HydrophobicContact CG-CD2 3.73Å; E218-F240 HydrophobicContact CG-CE2 4.02Å; E218-F240 VanDerWaalsContact OE2-CD2 3.24Å; E218-F240 WeakPolarHBondContact OE2-CD2 3.18Å; E218-R449 IonicContact OE1-CZ 3.63Å; E218-R449 IonicContact OE1-NH1 3.71Å; E218-R449 PolarHBondContact OE1-NH1 3.45Å; E218-R449 IonicContact OE1-NH2 3.81Å; E218-R449 PolarHBondContact OE1-NH2 3.44Å; E218-R449 IonicContact OE2-CZ 2.83Å; E218-R449 IonicContact OE2-NH1 2.69Å; E218-R449 PolarHBondContact OE2-NH1 3.26Å; E218-R449 IonicContact OE2-NH2 2.82Å; E218-I453 HydrophobicContact CB-CB 4.17Å; E218-I453 HydrophobicContact CB-CG1 4.02Å; E218-I453 HydrophobicContact CB-CG2 4.22Å
219	Y	98.4	Very high	98.6	Very high	122 Å²	122	42.7 Å²	42.7	48%	0.478	21%	0.214	S	C	.	.	H	α-helix	trans	-54.9	-53.1	175.3	174.9	-94.7	0	0	0	112.4	V215 L216 T221 K223	V215-Y219 PolarHBondContact O-N 2.98Å; L216-Y219 WeakPolarHBondContact O-CB 3.29Å; L216-Y219 PolarHBondContact O-N 2.7Å; Y219-T221 PolarHBondContact O-N 3.2Å; Y219-K223 WeakPolarHBondContact O-CB 3.09Å; Y219-K223 PolarHBondContact O-N 2.87Å
220	V	98.4	Very high	98.6	Very high	70 Å²	70	39.4 Å²	39.4	42%	0.424	21%	0.211	S	C	.	.	H	α-helix	trans	-68.5	-36.5	-176.5	-60.3	0	0	0	0	112.4	L216 L217 E218 K224	L216-V220 WeakPolarHBondContact O-CG2 3.4Å; L216-V220 PolarHBondContact O-N 3.49Å; L217-V220 WeakPolarHBondContact O-CG2 3.23Å; E218-V220 PolarHBondContact O-N 2.8Å; V220-K224 PolarHBondContact O-N 2.93Å
221	T	98.9	Very high	98.7	Very high	6 Å²	6	37.1 Å²	37.1	4%	0.037	20%	0.196	C	C	.	.	H	α-helix	trans	-71.7	-44.6	179.9	-57.7	0	0	0	0	111.6	L217 E218 Y219 K223 K224 M225 I453 L456 W460	L217-T221 VanDerWaalsContact O-CB 3.26Å; L217-T221 WeakPolarHBondContact O-CB 3.27Å; L217-T221 PolarHBondContact O-N 3.08Å; L217-T221 VanDerWaalsContact O-N 3.11Å; L217-T221 PolarHBondContact O-OG1 3.26Å; E218-T221 PolarHBondContact O-N 2.98Å; Y219-T221 PolarHBondContact O-N 3.2Å; T221-K223 VanDerWaalsContact C-N 3.32Å; T221-K223 PolarHBondContact O-N 3.4Å; T221-K224 WeakPolarHBondContact O-CB 3.41Å; T221-K224 PolarHBondContact O-N 3.39Å; T221-K224 VanDerWaalsContact O-N 3.1Å; T221-M225 HydrophobicContact CG2-SD 4.26Å; T221-M225 WeakPolarHBondContact O-CG 3.3Å; T221-M225 PolarHBondContact O-N 2.91Å; T221-I453 VanDerWaalsContact CB-CD1 3.47Å; T221-I453 HydrophobicContact CG2-CD1 3.67Å; T221-I453 WeakPolarHBondContact OG1-CD1 3.43Å; T221-L456 HydrophobicContact CG2-CD2 3.69Å; T221-L456 HydrophobicContact CG2-CG 4.16Å; T221-W460 HydrophobicContact CG2-CE3 4.15Å; T221-W460 HydrophobicContact CG2-CZ3 4.02Å
222	L	98.9	Very high	98.5	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.021	22%	0.221	C	C	.	.	H	α-helix	trans	-62.7	-40.7	176	-70.3	171	0	0	0	111.2	E218 K224 M225 R226 G238 F240 A407 L409	E218-L222 HydrophobicContact CG-CD1 3.56Å; E218-L222 HydrophobicContact CG-CG 4.13Å; E218-L222 WeakPolarHBondContact O-CB 3.4Å; E218-L222 VanDerWaalsContact O-CG 3.24Å; E218-L222 WeakPolarHBondContact O-CG 3.48Å; E218-L222 PolarHBondContact O-N 3.41Å; L222-K224 VanDerWaalsContact C-N 3.3Å; L222-K224 PolarHBondContact O-N 3.28Å; L222-M225 HydrophobicContact CD2-SD 4.41Å; L222-M225 PolarHBondContact O-N 3.38Å; L222-R226 WeakPolarHBondContact O-CG 3.45Å; L222-R226 PolarHBondContact O-N 2.82Å; L222-G238 WeakPolarHBondContact CD1-O 3.45Å; L222-F240 HydrophobicContact CD1-CE2 4.48Å; L222-F240 HydrophobicContact CD2-CD2 4.08Å; L222-F240 HydrophobicContact CD2-CE2 3.64Å; L222-F240 HydrophobicContact CD2-CZ 4.29Å; L222-F240 HydrophobicContact CG-CD2 4.34Å; L222-F240 HydrophobicContact CG-CE2 3.86Å; L222-A407 HydrophobicContact CD2-CB 3.9Å; L222-L409 HydrophobicContact CB-CD2 4.34Å; L222-L409 HydrophobicContact CD2-CD2 3.61Å
223	K	98.8	Very high	98.3	Very high	75 Å²	75	44.4 Å²	44.4	33%	0.326	24%	0.238	S	C	.	.	H	α-helix	trans	-55.7	-47.1	171.2	-177.5	-179.6	176.2	178.6	0	111	Y219 T221 M225 R226 E227 D233	Y219-K223 WeakPolarHBondContact O-CB 3.09Å; Y219-K223 PolarHBondContact O-N 2.87Å; T221-K223 VanDerWaalsContact C-N 3.32Å; T221-K223 PolarHBondContact O-N 3.4Å; K223-M225 VanDerWaalsContact C-N 3.34Å; K223-M225 PolarHBondContact O-N 3.03Å; K223-R226 VanDerWaalsContact CA-NH2 3.34Å; K223-R226 PolarHBondContact O-N 3Å; K223-E227 WeakPolarHBondContact O-CG 3.3Å; K223-E227 PolarHBondContact O-N 2.86Å; K223-D233 VanDerWaalsContact CE-O 3.24Å; K223-D233 WeakPolarHBondContact CE-O 3.49Å
224	K	98.8	Very high	98.2	Very high	86 Å²	86	40.1 Å²	40.1	37%	0.374	21%	0.212	S	C	.	.	H	α-helix	trans	-62.3	-39.9	178.9	-170.3	54.8	173.7	-178.2	0	113	V220 T221 L222 R226 E227 I228 W460	V220-K224 PolarHBondContact O-N 2.93Å; T221-K224 WeakPolarHBondContact O-CB 3.41Å; T221-K224 PolarHBondContact O-N 3.39Å; T221-K224 VanDerWaalsContact O-N 3.1Å; L222-K224 VanDerWaalsContact C-N 3.3Å; L222-K224 PolarHBondContact O-N 3.28Å; K224-R226 VanDerWaalsContact C-N 3.34Å; K224-E227 WeakPolarHBondContact CD-OE2 3.33Å; K224-E227 IonicContact NZ-OE2 2.72Å; K224-E227 PolarHBondContact NZ-OE2 2.83Å; K224-E227 WeakPolarHBondContact O-CB 3.18Å; K224-E227 PolarHBondContact O-N 2.98Å; K224-I228 HydrophobicContact CG-CD1 4.23Å; K224-I228 WeakPolarHBondContact O-CG1 3.34Å; K224-I228 PolarHBondContact O-N 3.22Å; K224-I228 VanDerWaalsContact O-N 3.08Å; K224-W460 HydrophobicContact CG-CH2 4.03Å; K224-W460 HydrophobicContact CG-CZ2 3.88Å
225	M	98.9	Very high	98.1	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-63.7	-39.3	176	-66.1	172.1	79.5	0	0	111.6	T221 L222 K223 I228 I229 F240 W393 P395 A407 L409 L456 W460	T221-M225 HydrophobicContact CG2-SD 4.26Å; T221-M225 WeakPolarHBondContact O-CG 3.3Å; T221-M225 PolarHBondContact O-N 2.91Å; L222-M225 HydrophobicContact CD2-SD 4.41Å; L222-M225 PolarHBondContact O-N 3.38Å; K223-M225 VanDerWaalsContact C-N 3.34Å; K223-M225 PolarHBondContact O-N 3.03Å; M225-I228 PolarHBondContact O-N 3.17Å; M225-I229 WeakPolarHBondContact O-CG1 3.36Å; M225-I229 PolarHBondContact O-N 2.86Å; M225-F240 HydrophobicContact SD-CZ 4.32Å; M225-W393 HydrophobicContact CB-CE3 4.17Å; M225-W393 HydrophobicContact CB-CZ3 3.92Å; M225-W393 HydrophobicContact CE-CB 4.07Å; M225-W393 HydrophobicContact CE-CD2 3.51Å; M225-W393 HydrophobicContact CE-CE3 3.37Å; M225-W393 HydrophobicContact CE-CG 3.86Å; M225-W393 HydrophobicContact CE-CZ3 3.99Å; M225-W393 HydrophobicContact CG-CE3 4.26Å; M225-W393 HydrophobicContact CG-CZ3 3.99Å; M225-P395 HydrophobicContact CE-CG 4.16Å; M225-A407 HydrophobicContact CE-CB 3.75Å; M225-A407 HydrophobicContact SD-CB 4.2Å; M225-L409 HydrophobicContact CB-CD1 3.8Å; M225-L409 HydrophobicContact CB-CD2 4.24Å; M225-L409 HydrophobicContact CE-CD1 4.31Å; M225-L456 HydrophobicContact SD-CD2 4.4Å; M225-W460 HydrophobicContact CG-CH2 4.13Å; M225-W460 HydrophobicContact CG-CZ3 4.02Å
226	R	98.9	Very high	98.1	Very high	13 Å²	13	46.9 Å²	46.9	5%	0.049	24%	0.238	C	C	.	.	H	α-helix	trans	-66.4	-38.8	174.8	-66.7	-174.3	-58	-99.4	2.2	112.8	L222 K223 K224 I228 I229 G230 W231 G234 G236 D237 L409	L222-R226 WeakPolarHBondContact O-CG 3.45Å; L222-R226 PolarHBondContact O-N 2.82Å; K223-R226 VanDerWaalsContact CA-NH2 3.34Å; K223-R226 PolarHBondContact O-N 3Å; K224-R226 VanDerWaalsContact C-N 3.34Å; R226-I228 VanDerWaalsContact C-N 3.29Å; R226-I228 PolarHBondContact O-N 2.85Å; R226-I229 PolarHBondContact O-N 2.95Å; R226-G230 PolarHBondContact O-N 2.99Å; R226-G230 VanDerWaalsContact O-N 3.15Å; R226-W231 HydrophobicContact CB-CB 4.48Å; R226-W231 HydrophobicContact CB-CE3 3.86Å; R226-W231 HydrophobicContact CG-CE3 3.58Å; R226-W231 HydrophobicContact CG-CZ3 3.75Å; R226-W231 PolarHBondContact O-N 3.06Å; R226-G234 PolarHBondContact NE-O 3.18Å; R226-G234 PolarHBondContact NH2-O 3.42Å; R226-G236 PolarHBondContact NE-O 3.49Å; R226-G236 PolarHBondContact NH2-O 3.38Å; R226-D237 PolarHBondContact NH1-O 2.94Å; R226-L409 HydrophobicContact CG-CB 4.42Å; R226-L409 HydrophobicContact CG-CD2 3.93Å
227	E	98.6	Very high	98	Very high	72 Å²	72	44.8 Å²	44.8	34%	0.336	23%	0.228	S	C	.	.	H	α-helix	trans	-58.9	-42.4	171.9	-69.5	171.9	-172.2	0	0	111.3	K223 K224 G230	K223-E227 WeakPolarHBondContact O-CG 3.3Å; K223-E227 PolarHBondContact O-N 2.86Å; K224-E227 WeakPolarHBondContact CD-OE2 3.33Å; K224-E227 IonicContact NZ-OE2 2.72Å; K224-E227 PolarHBondContact NZ-OE2 2.83Å; K224-E227 WeakPolarHBondContact O-CB 3.18Å; K224-E227 PolarHBondContact O-N 2.98Å; E227-G230 WeakPolarHBondContact O-CA 3.46Å; E227-G230 PolarHBondContact O-N 3.23Å
228	I	98.7	Very high	98	Very high	18 Å²	18	43.8 Å²	43.8	9%	0.092	22%	0.223	C	C	.	.	H	α-helix	trans	-67.2	-38.2	-179.7	-73.3	167.1	0	0	0	112	K224 M225 R226 G230 L373 M374 R379 W393 W460	K224-I228 HydrophobicContact CG-CD1 4.23Å; K224-I228 WeakPolarHBondContact O-CG1 3.34Å; K224-I228 PolarHBondContact O-N 3.22Å; K224-I228 VanDerWaalsContact O-N 3.08Å; M225-I228 PolarHBondContact O-N 3.17Å; R226-I228 VanDerWaalsContact C-N 3.29Å; R226-I228 PolarHBondContact O-N 2.85Å; I228-G230 PolarHBondContact O-N 3.37Å; I228-L373 HydrophobicContact CG2-CB 3.52Å; I228-L373 HydrophobicContact CG2-CD1 4.4Å; I228-M374 HydrophobicContact CD1-SD 3.77Å; I228-R379 PolarHBondContact O-NH2 3.47Å; I228-W393 HydrophobicContact CG2-CH2 4.07Å; I228-W393 HydrophobicContact CG2-CZ3 4.21Å; I228-W460 HydrophobicContact CD1-CH2 3.7Å; I228-W460 HydrophobicContact CD1-CZ2 3.52Å
229	I	98.8	Very high	98	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.015	22%	0.222	C	C	.	.	H	α-helix	trans	-60	-29.5	170.3	-74.1	169.1	0	0	0	111.5	M225 R226 W231 L373 V385 E386 V391 L409	M225-I229 WeakPolarHBondContact O-CG1 3.36Å; M225-I229 PolarHBondContact O-N 2.86Å; R226-I229 PolarHBondContact O-N 2.95Å; I229-W231 HydrophobicContact CG2-CD2 4.18Å; I229-W231 HydrophobicContact CG2-CG 4.23Å; I229-W231 HydrophobicContact CG2-CZ2 4.33Å; I229-L373 HydrophobicContact CG1-CD1 3.9Å; I229-V385 HydrophobicContact CG2-CG1 4.36Å; I229-V385 HydrophobicContact CG2-CG2 4.33Å; I229-E386 WeakPolarHBondContact O-CB 3.35Å; I229-V391 HydrophobicContact CD1-CB 3.89Å; I229-V391 HydrophobicContact CD1-CG1 4.06Å; I229-V391 HydrophobicContact CD1-CG2 3.92Å; I229-L409 HydrophobicContact CD1-CB 4.27Å; I229-L409 HydrophobicContact CD1-CD1 3.34Å; I229-L409 HydrophobicContact CD1-CG 4.41Å
230	G	98.4	Very high	98	Very high	43 Å²	43	37.9 Å²	37.9	44%	0.443	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	102.7	17.7	-178.8	0	0	0	0	0	114	R226 E227 I228	R226-G230 PolarHBondContact O-N 2.99Å; R226-G230 VanDerWaalsContact O-N 3.15Å; E227-G230 WeakPolarHBondContact O-CA 3.46Å; E227-G230 PolarHBondContact O-N 3.23Å; I228-G230 PolarHBondContact O-N 3.37Å
231	W	98.6	Very high	98	Very high	9 Å²	9	34.6 Å²	34.6	3%	0.034	18%	0.179	C	C	.	.			trans	-78.7	130.4	170.4	-64.6	-15	0	0	0	110.4	R226 I229 D233 G234 E386 V391 L409 V410 R411	R226-W231 HydrophobicContact CB-CB 4.48Å; R226-W231 HydrophobicContact CB-CE3 3.86Å; R226-W231 HydrophobicContact CG-CE3 3.58Å; R226-W231 HydrophobicContact CG-CZ3 3.75Å; R226-W231 PolarHBondContact O-N 3.06Å; I229-W231 HydrophobicContact CG2-CD2 4.18Å; I229-W231 HydrophobicContact CG2-CG 4.23Å; I229-W231 HydrophobicContact CG2-CZ2 4.33Å; W231-D233 PolarHBondContact O-N 3.18Å; W231-G234 PolarHBondContact O-N 3.25Å; W231-E386 PolarHBondContact NE1-O 2.85Å; W231-E386 VanDerWaalsContact NE1-O 3.08Å; W231-V391 HydrophobicContact CZ2-CG2 4.24Å; W231-L409 HydrophobicContact CH2-CB 4.14Å; W231-L409 HydrophobicContact CZ3-CB 4.07Å; W231-V410 VanDerWaalsContact CH2-C 3.48Å; W231-V410 WeakPolarHBondContact CZ3-O 3.25Å; W231-R411 HydrophobicContact CD2-CB 4.31Å; W231-R411 HydrophobicContact CD2-CG 4.11Å; W231-R411 HydrophobicContact CE3-CB 4.41Å; W231-R411 HydrophobicContact CG-CG 4.49Å; W231-R411 HydrophobicContact CH2-CB 3.91Å; W231-R411 VanDerWaalsContact CH2-N 3.32Å; W231-R411 HydrophobicContact CZ2-CB 3.74Å; W231-R411 HydrophobicContact CZ2-CG 4.28Å; W231-R411 HydrophobicContact CZ3-CB 4.23Å
232	S	95.3	Very high	98	Very high	77 Å²	77	36.2 Å²	36.2	54%	0.538	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-52.8	125.1	-172.8	-50.5	0	0	0	0	112	G234 R235	S232-G234 PolarHBondContact O-N 3.28Å; S232-R235 WeakPolarHBondContact O-CB 3.45Å; S232-R235 WeakPolarHBondContact O-CG 3.11Å; S232-R235 PolarHBondContact O-N 2.95Å
233	D	94.1	Very high	98	Very high	128 Å²	128	36.4 Å²	36.4	68%	0.684	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	55.1	19.3	-179.8	-49.4	-50.5	0	0	0	114.7	K223 W231 R235	K223-D233 VanDerWaalsContact CE-O 3.24Å; K223-D233 WeakPolarHBondContact CE-O 3.49Å; W231-D233 PolarHBondContact O-N 3.18Å; D233-R235 PolarHBondContact O-N 3.23Å
234	G	95.4	Very high	98	Very high	2 Å²	2	33.1 Å²	33.1	2%	0.021	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	64.7	23.3	-173.5	0	0	0	0	0	113.5	R226 W231 S232	R226-G234 PolarHBondContact NE-O 3.18Å; R226-G234 PolarHBondContact NH2-O 3.42Å; W231-G234 PolarHBondContact O-N 3.25Å; S232-G234 PolarHBondContact O-N 3.28Å
235	R	97	Very high	98	Very high	161 Å²	161	30.9 Å²	30.9	61%	0.608	18%	0.178	S	C	*	.			trans	-63.3	154.1	172.9	-70.8	-166.3	-65.1	163	-2.4	111.7	S232 D233	S232-R235 WeakPolarHBondContact O-CB 3.45Å; S232-R235 WeakPolarHBondContact O-CG 3.11Å; S232-R235 PolarHBondContact O-N 2.95Å; D233-R235 PolarHBondContact O-N 3.23Å
236	G	97.9	Very high	98	Very high	6 Å²	6	33.4 Å²	33.4	6%	0.062	19%	0.191	C	C	.	.	S	Bend	trans	116.1	-179.4	-171.7	0	0	0	0	0	112.3	R226 V410 E413	R226-G236 PolarHBondContact NE-O 3.49Å; R226-G236 PolarHBondContact NH2-O 3.38Å; G236-V410 CarbonylContact C-O 3.53Å; G236-V410 WeakPolarHBondContact CA-O 2.97Å; G236-E413 PolarHBondContact N-OE1 3.36Å
237	D	98.3	Very high	98	Very high	20 Å²	20	32.8 Å²	32.8	11%	0.107	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	175.3	-176.1	-156.2	-7.6	0	0	0	110.9	R226 V410 K443	R226-D237 PolarHBondContact NH1-O 2.94Å; D237-V410 HydrophobicContact CB-CB 4.41Å; D237-V410 PolarHBondContact N-O 2.79Å; D237-V410 PolarHBondContact O-N 2.85Å; D237-K443 IonicContact OD1-NZ 2.64Å; D237-K443 PolarHBondContact OD1-NZ 3.19Å
238	G	98.5	Very high	98	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.2	166.8	171.9	0	0	0	0	0	112.6	L222 L408 K443	L222-G238 WeakPolarHBondContact CD1-O 3.45Å; G238-L408 CarbonylContact C-O 3.51Å; G238-L408 WeakPolarHBondContact CA-O 3.24Å; G238-K443 WeakPolarHBondContact O-CE 3.36Å; G238-K443 PolarHBondContact O-NZ 2.97Å
239	I	98.7	Very high	98	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	149.7	175.6	-157.4	170.7	0	0	0	110	A407 L408 M416 K443 A444	I239-A407 WeakPolarHBondContact O-CA 3.35Å; I239-L408 PolarHBondContact N-O 2.86Å; I239-L408 PolarHBondContact O-N 3.43Å; I239-M416 HydrophobicContact CB-CE 4.23Å; I239-M416 HydrophobicContact CG2-CE 3.55Å; I239-K443 HydrophobicContact CD1-CG 4.34Å; I239-A444 HydrophobicContact CD1-CB 3.47Å; I239-A444 VanDerWaalsContact CD1-CB 3.47Å
240	F	98.8	Very high	98	Very high	2 Å²	2	30 Å²	30	1%	0.009	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	141.3	164.6	-76	-96.3	0	0	0	110.6	E218 L222 M225 C405 S406 A407 D452 I453 L456	E218-F240 HydrophobicContact CG-CD2 3.73Å; E218-F240 HydrophobicContact CG-CE2 4.02Å; E218-F240 VanDerWaalsContact OE2-CD2 3.24Å; E218-F240 WeakPolarHBondContact OE2-CD2 3.18Å; L222-F240 HydrophobicContact CD1-CE2 4.48Å; L222-F240 HydrophobicContact CD2-CD2 4.08Å; L222-F240 HydrophobicContact CD2-CE2 3.64Å; L222-F240 HydrophobicContact CD2-CZ 4.29Å; L222-F240 HydrophobicContact CG-CD2 4.34Å; L222-F240 HydrophobicContact CG-CE2 3.86Å; M225-F240 HydrophobicContact SD-CZ 4.32Å; F240-C405 VanDerWaalsContact CE1-SG 3.59Å; F240-S406 CarbonylContact C-O 3.53Å; F240-S406 WeakPolarHBondContact CA-O 3.48Å; F240-S406 WeakPolarHBondContact CD1-O 3.26Å; F240-A407 HydrophobicContact CD1-CB 4.41Å; F240-A407 HydrophobicContact CE1-CB 4.18Å; F240-A407 HydrophobicContact CZ-CB 4.31Å; F240-D452 HydrophobicContact CD1-CB 4.37Å; F240-I453 HydrophobicContact CE2-CD1 3.62Å; F240-I453 HydrophobicContact CZ-CD1 3.77Å; F240-L456 HydrophobicContact CE1-CD2 3.91Å; F240-L456 HydrophobicContact CZ-CD2 3.67Å
241	S	98.3	Very high	98	Very high	1 Å²	1	28 Å²	28	1%	0.007	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	157.2	-178.8	92.7	0	0	0	0	111	G243 S247 S406	S241-G243 PolarHBondContact O-N 3.32Å; S241-G243 PolarHBondContact OG-O 2.8Å; S241-G243 VanDerWaalsContact OG-O 3.11Å; S241-S247 PolarHBondContact OG-N 2.94Å; S241-S247 PolarHBondContact OG-OG 2.98Å; S241-S406 PolarHBondContact N-O 3.05Å
242	P	98.3	Very high	98	Very high	40 Å²	40	27.6 Å²	27.6	26%	0.26	15%	0.153	S	C	.	.	S	Bend	trans	-76.9	62	-177.3	32.3	-37.4	0	0	0	111.3	I246 Q404	P242-I246 HydrophobicContact CG-CB 4.42Å; P242-I246 HydrophobicContact CG-CG1 4.19Å; P242-I246 HydrophobicContact CG-CG2 4.38Å; P242-Q404 VanDerWaalsContact CB-OE1 3.29Å; P242-Q404 PolarHBondContact O-NE2 3.45Å; P242-Q404 VanDerWaalsContact O-NE2 3.15Å
243	G	98.3	Very high	98.2	Very high	8 Å²	8	24.5 Å²	24.5	8%	0.082	13%	0.131	C	C	.	.	S	Bend	trans	103.7	148.4	178.8	0	0	0	0	0	114.4	S241 A245 I246 S247	S241-G243 PolarHBondContact O-N 3.32Å; S241-G243 PolarHBondContact OG-O 2.8Å; S241-G243 VanDerWaalsContact OG-O 3.11Å; G243-A245 PolarHBondContact O-N 2.92Å; G243-I246 PolarHBondContact O-N 3.16Å; G243-S247 PolarHBondContact O-N 3.09Å
244	G	98.6	Very high	98.4	Very high	6 Å²	6	18.4 Å²	18.4	6%	0.062	10%	0.098	C	C	.	.	H	α-helix	trans	-60.6	-19.4	-176.3	0	0	0	0	0	115	I246 S247 N248 N394 S406	G244-I246 VanDerWaalsContact C-N 3.32Å; G244-S247 PolarHBondContact O-N 3.14Å; G244-N248 VanDerWaalsContact O-CG 3.32Å; G244-N248 PolarHBondContact O-N 3.34Å; G244-N248 PolarHBondContact O-OD1 3.23Å; G244-N394 WeakPolarHBondContact CA-OD1 3.37Å; G244-N394 PolarHBondContact N-ND2 3.1Å; G244-S406 VanDerWaalsContact CA-OG 3.27Å; G244-S406 WeakPolarHBondContact CA-OG 3.25Å; G244-S406 PolarHBondContact N-OG 3.17Å
245	A	98.8	Very high	98.6	Very high	39 Å²	39	18.4 Å²	18.4	32%	0.322	10%	0.098	S	C	.	.	H	α-helix	trans	-63	-40.1	171.5	0	0	0	0	0	112.1	G243 M249	G243-A245 PolarHBondContact O-N 2.92Å; A245-M249 PolarHBondContact O-N 3.29Å; A245-M249 VanDerWaalsContact O-N 3.14Å
246	I	98.8	Very high	98.7	Very high	53 Å²	53	12.2 Å²	12.2	27%	0.272	7%	0.074	S	C	.	.	H	α-helix	trans	-74.5	-38.1	175.9	-60.2	-58.8	0	0	0	110.2	P242 G243 G244 N248 M249 Y250	P242-I246 HydrophobicContact CG-CB 4.42Å; P242-I246 HydrophobicContact CG-CG1 4.19Å; P242-I246 HydrophobicContact CG-CG2 4.38Å; G243-I246 PolarHBondContact O-N 3.16Å; G244-I246 VanDerWaalsContact C-N 3.32Å; I246-N248 VanDerWaalsContact C-N 3.34Å; I246-N248 PolarHBondContact O-N 3.06Å; I246-M249 HydrophobicContact CD1-CE 3.82Å; I246-M249 HydrophobicContact CG2-CE 4.28Å; I246-M249 WeakPolarHBondContact O-CB 3.45Å; I246-M249 PolarHBondContact O-N 3.01Å; I246-M249 VanDerWaalsContact O-N 3.09Å; I246-Y250 HydrophobicContact CG2-CD2 3.84Å; I246-Y250 HydrophobicContact CG2-CE2 3.7Å; I246-Y250 VanDerWaalsContact O-CD2 3.3Å; I246-Y250 WeakPolarHBondContact O-CD2 3.32Å; I246-Y250 PolarHBondContact O-N 3.02Å
247	S	98.9	Very high	98.7	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-55.1	-47	171	-58.5	0	0	0	0	112.2	S241 G243 G244 M249 Y250 A251 T392 S406	S241-S247 PolarHBondContact OG-N 2.94Å; S241-S247 PolarHBondContact OG-OG 2.98Å; G243-S247 PolarHBondContact O-N 3.09Å; G244-S247 PolarHBondContact O-N 3.14Å; S247-M249 VanDerWaalsContact C-N 3.31Å; S247-M249 PolarHBondContact O-N 3.29Å; S247-Y250 WeakPolarHBondContact O-CB 3.19Å; S247-Y250 PolarHBondContact O-N 2.91Å; S247-A251 PolarHBondContact O-N 2.89Å; S247-T392 VanDerWaalsContact CB-OG1 3.3Å; S247-T392 WeakPolarHBondContact CB-OG1 3.32Å; S247-S406 PolarHBondContact OG-OG 3.49Å
248	N	98.9	Very high	98.7	Very high	3 Å²	3	17.3 Å²	17.3	2%	0.016	9%	0.094	C	C	.	.	H	α-helix	trans	-64.8	-35.2	176.5	-69.4	0.3	0	0	0	112.3	G244 I246 A251 M252 S285 I286 H363 D365 T392	G244-N248 VanDerWaalsContact O-CG 3.32Å; G244-N248 PolarHBondContact O-N 3.34Å; G244-N248 PolarHBondContact O-OD1 3.23Å; I246-N248 VanDerWaalsContact C-N 3.34Å; I246-N248 PolarHBondContact O-N 3.06Å; N248-A251 PolarHBondContact O-N 3.21Å; N248-M252 PolarHBondContact O-N 2.86Å; N248-M252 VanDerWaalsContact O-N 3.11Å; N248-S285 PolarHBondContact ND2-OG 2.76Å; N248-I286 HydrophobicContact CB-CD1 3.84Å; N248-H363 PolarHBondContact OD1-NE2 3.29Å; N248-D365 PolarHBondContact ND2-OD2 3.04Å; N248-T392 VanDerWaalsContact OD1-CB 3.27Å; N248-T392 WeakPolarHBondContact OD1-CB 3.49Å; N248-T392 PolarHBondContact OD1-OG1 3.41Å
249	M	98.9	Very high	98.7	Very high	33 Å²	33	20.1 Å²	20.1	16%	0.163	11%	0.108	C	C	.	.	H	α-helix	trans	-65.6	-43.3	174.4	-174.8	179	72.2	0	0	111.5	A245 I246 S247 A251 M252 L253 A292 L293 L445	A245-M249 PolarHBondContact O-N 3.29Å; A245-M249 VanDerWaalsContact O-N 3.14Å; I246-M249 HydrophobicContact CD1-CE 3.82Å; I246-M249 HydrophobicContact CG2-CE 4.28Å; I246-M249 WeakPolarHBondContact O-CB 3.45Å; I246-M249 PolarHBondContact O-N 3.01Å; I246-M249 VanDerWaalsContact O-N 3.09Å; S247-M249 VanDerWaalsContact C-N 3.31Å; S247-M249 PolarHBondContact O-N 3.29Å; M249-A251 VanDerWaalsContact C-N 3.34Å; M249-A251 PolarHBondContact O-N 3.23Å; M249-M252 PolarHBondContact O-N 2.93Å; M249-L253 WeakPolarHBondContact O-CB 3.41Å; M249-L253 PolarHBondContact O-N 3.35Å; M249-A292 HydrophobicContact SD-CB 4.2Å; M249-L293 HydrophobicContact CG-CD1 4.1Å; M249-L293 HydrophobicContact CG-CD2 4.28Å; M249-L293 HydrophobicContact CG-CG 4.1Å; M249-L445 HydrophobicContact CE-CD1 3.81Å
250	Y	98.8	Very high	98.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-58.2	-46.5	171.2	-85.7	-78.8	0	0	0	111.1	I246 S247 M252 L253 L254 L408 M416 A444 L445	I246-Y250 HydrophobicContact CG2-CD2 3.84Å; I246-Y250 HydrophobicContact CG2-CE2 3.7Å; I246-Y250 VanDerWaalsContact O-CD2 3.3Å; I246-Y250 WeakPolarHBondContact O-CD2 3.32Å; I246-Y250 PolarHBondContact O-N 3.02Å; S247-Y250 WeakPolarHBondContact O-CB 3.19Å; S247-Y250 PolarHBondContact O-N 2.91Å; Y250-M252 VanDerWaalsContact C-N 3.27Å; Y250-M252 PolarHBondContact O-N 3.16Å; Y250-L253 WeakPolarHBondContact O-CB 3.39Å; Y250-L253 PolarHBondContact O-N 2.73Å; Y250-L253 VanDerWaalsContact O-N 3.11Å; Y250-L254 WeakPolarHBondContact O-CB 3.35Å; Y250-L254 WeakPolarHBondContact O-CG 3.38Å; Y250-L254 PolarHBondContact O-N 2.82Å; Y250-L408 HydrophobicContact CG-CD2 4.08Å; Y250-M416 HydrophobicContact CD1-CE 4.12Å; Y250-M416 HydrophobicContact CE1-CE 4.35Å; Y250-A444 WeakPolarHBondContact OH-CA 3.46Å; Y250-L445 HydrophobicContact CD1-CD1 4.04Å; Y250-L445 HydrophobicContact CD1-CG 4.14Å; Y250-L445 HydrophobicContact CE1-CB 4.03Å; Y250-L445 HydrophobicContact CE1-CD1 3.84Å; Y250-L445 HydrophobicContact CE1-CG 3.54Å; Y250-L445 HydrophobicContact CE2-CD1 4.35Å; Y250-L445 HydrophobicContact CG-CD1 4.39Å; Y250-L445 PolarHBondContact OH-N 3.33Å
251	A	98.9	Very high	98.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-55.6	-43.9	179.4	0	0	0	0	0	112.1	S247 N248 M249 A255 F332 H363 S390 L408	S247-A251 PolarHBondContact O-N 2.89Å; N248-A251 PolarHBondContact O-N 3.21Å; M249-A251 VanDerWaalsContact C-N 3.34Å; M249-A251 PolarHBondContact O-N 3.23Å; A251-A255 WeakPolarHBondContact O-CB 3.4Å; A251-A255 PolarHBondContact O-N 2.91Å; A251-F332 HydrophobicContact CB-CE2 4.08Å; A251-F332 HydrophobicContact CB-CZ 4.28Å; A251-H363 HydrophobicContact CB-CB 4.46Å; A251-H363 WeakPolarHBondContact CB-ND1 3.39Å; A251-S390 WeakPolarHBondContact CB-OG 3.35Å; A251-L408 HydrophobicContact CB-CD1 3.98Å
252	M	98.9	Very high	98.7	Very high	1 Å²	1	28 Å²	28	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-68.5	-40.3	176.4	-173	178.5	-68.5	0	0	112.5	N248 M249 Y250 A255 R256 A276 I286 A290 L293 I295 F331 F332	N248-M252 PolarHBondContact O-N 2.86Å; N248-M252 VanDerWaalsContact O-N 3.11Å; M249-M252 PolarHBondContact O-N 2.93Å; Y250-M252 VanDerWaalsContact C-N 3.27Å; Y250-M252 PolarHBondContact O-N 3.16Å; M252-A255 PolarHBondContact O-N 3.34Å; M252-R256 WeakPolarHBondContact O-CB 3.4Å; M252-R256 PolarHBondContact O-N 3.3Å; M252-A276 HydrophobicContact CE-CB 4.13Å; M252-I286 HydrophobicContact CE-CG2 3.69Å; M252-A290 HydrophobicContact CE-CB 4.2Å; M252-A290 HydrophobicContact SD-CB 3.83Å; M252-L293 HydrophobicContact CB-CD1 3.97Å; M252-L293 HydrophobicContact CG-CD1 3.9Å; M252-L293 HydrophobicContact SD-CD1 4.05Å; M252-I295 HydrophobicContact CG-CD1 3.95Å; M252-I295 HydrophobicContact SD-CD1 3.59Å; M252-I295 VanDerWaalsContact SD-CD1 3.59Å; M252-F331 HydrophobicContact CG-CE2 3.98Å; M252-F331 HydrophobicContact CG-CZ 3.81Å; M252-F331 HydrophobicContact SD-CZ 4.39Å; M252-F332 HydrophobicContact CB-CE1 4.42Å; M252-F332 HydrophobicContact CB-CE2 4.29Å; M252-F332 HydrophobicContact CB-CZ 4.23Å; M252-F332 HydrophobicContact CE-CD1 3.9Å; M252-F332 HydrophobicContact CE-CE1 3.85Å
253	L	98.9	Very high	98.7	Very high	12 Å²	12	26.4 Å²	26.4	6%	0.063	14%	0.139	C	C	.	.	H	α-helix	trans	-60	-46	175.3	170.7	62.6	0	0	0	111.5	M249 Y250 R256 F257 L293 N420 L445	M249-L253 WeakPolarHBondContact O-CB 3.41Å; M249-L253 PolarHBondContact O-N 3.35Å; Y250-L253 WeakPolarHBondContact O-CB 3.39Å; Y250-L253 PolarHBondContact O-N 2.73Å; Y250-L253 VanDerWaalsContact O-N 3.11Å; L253-R256 WeakPolarHBondContact O-CB 3.44Å; L253-R256 PolarHBondContact O-N 3.04Å; L253-F257 WeakPolarHBondContact O-CB 3.23Å; L253-F257 PolarHBondContact O-N 3.04Å; L253-L293 HydrophobicContact CB-CD1 4.15Å; L253-L293 HydrophobicContact CB-CD2 4.19Å; L253-L293 HydrophobicContact CD1-CD2 4.18Å; L253-N420 WeakPolarHBondContact CD2-OD1 3.23Å; L253-L445 HydrophobicContact CD2-CD1 3.93Å; L253-L445 HydrophobicContact CD2-CD2 3.75Å; L253-L445 HydrophobicContact CD2-CG 4.11Å
254	L	98.9	Very high	98.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-66.2	-41.4	178.9	-64.6	171.4	0	0	0	111.6	Y250 R256 F257 K258 L408 V410 L415 M416 C419	Y250-L254 WeakPolarHBondContact O-CB 3.35Å; Y250-L254 WeakPolarHBondContact O-CG 3.38Å; Y250-L254 PolarHBondContact O-N 2.82Å; L254-R256 VanDerWaalsContact C-N 3.31Å; L254-R256 PolarHBondContact O-N 3.48Å; L254-F257 PolarHBondContact O-N 3.15Å; L254-K258 WeakPolarHBondContact O-CB 3.37Å; L254-K258 PolarHBondContact O-N 3.12Å; L254-L408 HydrophobicContact CD1-CD2 3.84Å; L254-V410 HydrophobicContact CD1-CG1 4.34Å; L254-V410 HydrophobicContact CD1-CG2 3.55Å; L254-L415 HydrophobicContact CB-CD2 4.2Å; L254-L415 HydrophobicContact CD2-CG 4.23Å; L254-M416 HydrophobicContact CD1-CE 4.3Å; L254-M416 HydrophobicContact CD1-CG 3.86Å; L254-M416 HydrophobicContact CD1-SD 4.44Å; L254-M416 HydrophobicContact CD2-CB 4.34Å; L254-M416 HydrophobicContact CD2-CG 4.03Å; L254-C419 HydrophobicContact CD2-CB 3.66Å
255	A	98.9	Very high	98.7	Very high	2 Å²	2	37.4 Å²	37.4	2%	0.017	19%	0.186	C	C	.	.	H	α-helix	trans	-59.7	-43.6	174.4	0	0	0	0	0	111.7	A251 M252 M259 F331 F332 W361	A251-A255 WeakPolarHBondContact O-CB 3.4Å; A251-A255 PolarHBondContact O-N 2.91Å; M252-A255 PolarHBondContact O-N 3.34Å; A255-M259 PolarHBondContact O-N 3.3Å; A255-F331 HydrophobicContact CB-CD2 4.08Å; A255-F331 HydrophobicContact CB-CE2 4.21Å; A255-F332 HydrophobicContact CB-CB 4.4Å; A255-F332 HydrophobicContact CB-CD2 3.61Å; A255-F332 HydrophobicContact CB-CE2 4.39Å; A255-F332 HydrophobicContact CB-CG 4.46Å; A255-W361 HydrophobicContact CB-CB 3.55Å; A255-W361 HydrophobicContact CB-CD2 3.72Å; A255-W361 HydrophobicContact CB-CE3 4.22Å; A255-W361 HydrophobicContact CB-CG 3.42Å; A255-W361 VanDerWaalsContact CB-CG 3.42Å
256	R	98.8	Very high	98.7	Very high	31 Å²	31	42.2 Å²	42.2	12%	0.117	20%	0.199	C	C	.	.	H	α-helix	trans	-63.2	-50.6	175.2	-178.3	-174.2	73	179.7	1.3	111.3	M252 L253 L254 K258 M259 F260 M268 L274 L293 F331	M252-R256 WeakPolarHBondContact O-CB 3.4Å; M252-R256 PolarHBondContact O-N 3.3Å; L253-R256 WeakPolarHBondContact O-CB 3.44Å; L253-R256 PolarHBondContact O-N 3.04Å; L254-R256 VanDerWaalsContact C-N 3.31Å; L254-R256 PolarHBondContact O-N 3.48Å; R256-K258 VanDerWaalsContact C-N 3.31Å; R256-K258 PolarHBondContact O-N 3.33Å; R256-M259 PolarHBondContact O-N 2.98Å; R256-F260 PolarHBondContact O-N 3.07Å; R256-M268 VanDerWaalsContact CD-SD 3.52Å; R256-M268 PolarHBondContact NH1-SD 2.67Å; R256-M268 VanDerWaalsContact NH1-SD 3.38Å; R256-L274 HydrophobicContact CG-CD1 3.9Å; R256-L293 PolarHBondContact NH1-O 3.18Å; R256-F331 HydrophobicContact CB-CD2 4.38Å; R256-F331 HydrophobicContact CB-CE2 4.06Å
257	F	98.8	Very high	98.7	Very high	32 Å²	32	41 Å²	41	14%	0.14	20%	0.201	C	C	.	.	H	α-helix	trans	-61.5	-39.2	-179.5	178.7	-98.1	0	0	0	112	L253 L254 M259 F260 P261 K264 L415 S418 C419	L253-F257 WeakPolarHBondContact O-CB 3.23Å; L253-F257 PolarHBondContact O-N 3.04Å; L254-F257 PolarHBondContact O-N 3.15Å; F257-M259 VanDerWaalsContact C-N 3.32Å; F257-M259 PolarHBondContact O-N 2.85Å; F257-F260 CarbonylContact O-C 2.94Å; F257-P261 HydrophobicContact CD2-CB 4.21Å; F257-P261 HydrophobicContact CE2-CB 3.86Å; F257-P261 HydrophobicContact CZ-CB 4.1Å; F257-P261 VanDerWaalsContact O-CA 3.22Å; F257-P261 WeakPolarHBondContact O-CA 3.47Å; F257-P261 WeakPolarHBondContact O-CD 3.1Å; F257-K264 HydrophobicContact CD2-CB 4.21Å; F257-K264 HydrophobicContact CD2-CD 4.38Å; F257-K264 HydrophobicContact CE2-CB 4.15Å; F257-K264 HydrophobicContact CE2-CD 3.81Å; F257-L415 HydrophobicContact CD1-CD1 3.86Å; F257-L415 HydrophobicContact CE1-CD1 4.27Å; F257-S418 WeakPolarHBondContact CZ-O 3.18Å; F257-C419 HydrophobicContact CB-CB 4.1Å; F257-C419 VanDerWaalsContact CB-SG 3.58Å; F257-C419 HydrophobicContact CD1-CB 3.6Å; F257-C419 HydrophobicContact CD2-CB 4.29Å; F257-C419 HydrophobicContact CE1-CB 4.09Å; F257-C419 HydrophobicContact CG-CB 3.72Å
258	K	98.6	Very high	98.6	Very high	100 Å²	100	43.2 Å²	43.2	44%	0.435	21%	0.211	S	C	.	.	H	α-helix	trans	-64.1	-37.8	176.9	-174.5	165.4	-177.5	73.3	0	112.5	L254 R256 W361 E412 L415	L254-K258 WeakPolarHBondContact O-CB 3.37Å; L254-K258 PolarHBondContact O-N 3.12Å; R256-K258 VanDerWaalsContact C-N 3.31Å; R256-K258 PolarHBondContact O-N 3.33Å; K258-W361 HydrophobicContact CB-CZ3 4.45Å; K258-W361 HydrophobicContact CD-CE3 4.17Å; K258-W361 HydrophobicContact CD-CZ3 3.69Å; K258-E412 WeakPolarHBondContact CD-OE2 3.43Å; K258-E412 WeakPolarHBondContact CE-OE2 3.29Å; K258-E412 IonicContact NZ-OE1 2.71Å; K258-E412 PolarHBondContact NZ-OE1 2.83Å; K258-E412 IonicContact NZ-OE2 3.7Å; K258-E412 PolarHBondContact NZ-OE2 3.25Å; K258-L415 HydrophobicContact CB-CD1 4.1Å; K258-L415 HydrophobicContact CB-CD2 4.38Å; K258-L415 HydrophobicContact CD-CD2 4.26Å
259	M	98.5	Very high	98.6	Very high	59 Å²	59	48.7 Å²	48.7	29%	0.291	25%	0.25	S	C	.	.	H	α-helix	trans	-82.2	-37.4	-179.7	-169	173.7	-78.1	0	0	112.5	A255 R256 F257 V329 F331	A255-M259 PolarHBondContact O-N 3.3Å; R256-M259 PolarHBondContact O-N 2.98Å; F257-M259 VanDerWaalsContact C-N 3.32Å; F257-M259 PolarHBondContact O-N 2.85Å; M259-V329 HydrophobicContact SD-CG1 3.71Å; M259-F331 HydrophobicContact CE-CB 3.84Å; M259-F331 HydrophobicContact SD-CB 3.54Å; M259-F331 VanDerWaalsContact SD-CB 3.54Å
260	F	98.5	Very high	98.5	Very high	34 Å²	34	49.3 Å²	49.3	15%	0.149	26%	0.257	C	S	.	.			trans	-140.3	76.5	-176.1	-62.8	-73.8	0	0	0	110.8	R256 F257 E262 V263 V271 L274 V329	R256-F260 PolarHBondContact O-N 3.07Å; F257-F260 CarbonylContact O-C 2.94Å; F260-E262 WeakPolarHBondContact CA-OE2 3.49Å; F260-E262 PolarHBondContact O-N 2.81Å; F260-V263 HydrophobicContact CB-CG2 3.81Å; F260-V263 WeakPolarHBondContact O-CB 3.29Å; F260-V263 PolarHBondContact O-N 3.22Å; F260-V271 HydrophobicContact CB-CG1 3.75Å; F260-V271 HydrophobicContact CD1-CB 4.31Å; F260-V271 HydrophobicContact CD1-CG1 3.58Å; F260-V271 HydrophobicContact CD2-CG1 4.37Å; F260-V271 HydrophobicContact CE1-CG1 4.26Å; F260-V271 HydrophobicContact CG-CB 4.32Å; F260-V271 HydrophobicContact CG-CG1 3.64Å; F260-L274 HydrophobicContact CD2-CD1 4.2Å; F260-L274 HydrophobicContact CD2-CD2 3.8Å; F260-L274 HydrophobicContact CE2-CD2 3.37Å; F260-L274 HydrophobicContact CZ-CD2 4.27Å; F260-V329 HydrophobicContact CE2-CG1 4.02Å; F260-V329 HydrophobicContact CZ-CG1 4.18Å
261	P	98.3	Very high	98.5	Very high	67 Å²	67	50.2 Å²	50.2	44%	0.435	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-27.5	-178.7	24.9	-34.5	0	0	0	112.7	F257 V263 K264	F257-P261 HydrophobicContact CD2-CB 4.21Å; F257-P261 HydrophobicContact CE2-CB 3.86Å; F257-P261 HydrophobicContact CZ-CB 4.1Å; F257-P261 VanDerWaalsContact O-CA 3.22Å; F257-P261 WeakPolarHBondContact O-CA 3.47Å; F257-P261 WeakPolarHBondContact O-CD 3.1Å; P261-V263 PolarHBondContact O-N 2.95Å; P261-V263 VanDerWaalsContact O-N 3.17Å; P261-K264 VanDerWaalsContact O-CB 3.28Å; P261-K264 WeakPolarHBondContact O-CB 3.5Å; P261-K264 PolarHBondContact O-N 2.83Å; P261-K264 VanDerWaalsContact O-N 3.11Å
262	E	98.2	Very high	98.4	Very high	68 Å²	68	53.6 Å²	53.6	32%	0.318	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-22.6	178.8	68.5	-89.8	-141.2	0	0	113.6	F260 K264 E265 K266 V271	F260-E262 WeakPolarHBondContact CA-OE2 3.49Å; F260-E262 PolarHBondContact O-N 2.81Å; E262-K264 PolarHBondContact O-N 2.93Å; E262-E265 PolarHBondContact O-N 2.76Å; E262-E265 VanDerWaalsContact O-N 3.15Å; E262-K266 HydrophobicContact CB-CD 4.23Å; E262-K266 WeakPolarHBondContact O-CB 3.25Å; E262-K266 PolarHBondContact O-N 2.96Å; E262-V271 HydrophobicContact CG-CG1 4.42Å
263	V	98.7	Very high	98.4	Very high	7 Å²	7	58 Å²	58	4%	0.042	30%	0.304	C	S	.	.	H	α-helix	trans	-60.6	-28.8	176.4	173.2	0	0	0	0	111.3	F260 P261 E265 G267 M268 V271	F260-V263 HydrophobicContact CB-CG2 3.81Å; F260-V263 WeakPolarHBondContact O-CB 3.29Å; F260-V263 PolarHBondContact O-N 3.22Å; P261-V263 PolarHBondContact O-N 2.95Å; P261-V263 VanDerWaalsContact O-N 3.17Å; V263-E265 PolarHBondContact O-N 2.99Å; V263-G267 VanDerWaalsContact O-CA 3.29Å; V263-G267 WeakPolarHBondContact O-CA 3.44Å; V263-G267 PolarHBondContact O-N 3.27Å; V263-M268 HydrophobicContact CG1-CG 4.32Å; V263-M268 HydrophobicContact CG1-SD 3.69Å; V263-V271 HydrophobicContact CG2-CB 4.33Å; V263-V271 HydrophobicContact CG2-CG1 3.52Å; V263-V271 HydrophobicContact CG2-CG2 3.8Å
264	K	98.3	Very high	98.3	Very high	71 Å²	71	57.5 Å²	57.5	31%	0.309	30%	0.302	S	S	.	.	H	α-helix	trans	-56.3	-40.1	177.2	-175.2	178.2	-179.5	178.5	0	111.8	F257 P261 E262 S418 C419 Q421	F257-K264 HydrophobicContact CD2-CB 4.21Å; F257-K264 HydrophobicContact CD2-CD 4.38Å; F257-K264 HydrophobicContact CE2-CB 4.15Å; F257-K264 HydrophobicContact CE2-CD 3.81Å; P261-K264 VanDerWaalsContact O-CB 3.28Å; P261-K264 WeakPolarHBondContact O-CB 3.5Å; P261-K264 PolarHBondContact O-N 2.83Å; P261-K264 VanDerWaalsContact O-N 3.11Å; E262-K264 PolarHBondContact O-N 2.93Å; K264-S418 PolarHBondContact NZ-O 3.36Å; K264-C419 WeakPolarHBondContact CD-O 3.49Å; K264-C419 WeakPolarHBondContact CE-O 3.32Å; K264-C419 PolarHBondContact NZ-O 3.45Å; K264-Q421 PolarHBondContact NZ-O 3.13Å
265	E	98.1	Very high	98.3	Very high	173 Å²	173	57.6 Å²	57.6	81%	0.808	30%	0.302	S	S	*	.	H	α-helix	trans	-101.5	-40.3	-176.9	-64.9	178.6	179.9	0	0	112.5	E262 V263	E262-E265 PolarHBondContact O-N 2.76Å; E262-E265 VanDerWaalsContact O-N 3.15Å; V263-E265 PolarHBondContact O-N 2.99Å
266	K	98.5	Very high	98.3	Very high	140 Å²	140	57.5 Å²	57.5	61%	0.609	30%	0.301	S	S	*	.	H	α-helix	trans	-95.6	-9.2	-171.6	-57.4	-177.7	-175.2	172.8	0	113.8	E262	E262-K266 HydrophobicContact CB-CD 4.23Å; E262-K266 WeakPolarHBondContact O-CB 3.25Å; E262-K266 PolarHBondContact O-N 2.96Å
267	G	98.4	Very high	98.3	Very high	29 Å²	29	56 Å²	56	30%	0.299	30%	0.296	S	S	.	.			trans	74.2	175	-177.7	0	0	0	0	0	114.4	V263 S269 S270	V263-G267 VanDerWaalsContact O-CA 3.29Å; V263-G267 WeakPolarHBondContact O-CA 3.44Å; V263-G267 PolarHBondContact O-N 3.27Å; G267-S269 PolarHBondContact O-N 2.67Å; G267-S270 WeakPolarHBondContact O-CB 3.49Å; G267-S270 PolarHBondContact O-N 3.47Å; G267-S270 PolarHBondContact O-OG 3.01Å
268	M	98.2	Very high	98.4	Very high	45 Å²	45	54.6 Å²	54.6	22%	0.222	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-63.8	-22.3	-175.3	-72.3	-62	-55.7	0	0	114.1	R256 V263 S270 V271 L274 I295	R256-M268 VanDerWaalsContact CD-SD 3.52Å; R256-M268 PolarHBondContact NH1-SD 2.67Å; R256-M268 VanDerWaalsContact NH1-SD 3.38Å; V263-M268 HydrophobicContact CG1-CG 4.32Å; V263-M268 HydrophobicContact CG1-SD 3.69Å; M268-S270 PolarHBondContact O-N 3.11Å; M268-V271 HydrophobicContact CE-CG2 4.2Å; M268-V271 VanDerWaalsContact O-CG2 3.32Å; M268-V271 WeakPolarHBondContact O-CG2 3.47Å; M268-V271 PolarHBondContact O-N 3.07Å; M268-L274 HydrophobicContact CE-CD1 3.99Å; M268-L274 HydrophobicContact CE-CG 4.19Å; M268-I295 HydrophobicContact CE-CG1 3.92Å; M268-I295 HydrophobicContact SD-CG1 4.38Å
269	S	97.6	Very high	98.4	Very high	118 Å²	118	49.8 Å²	49.8	83%	0.825	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-67.7	-15.2	177.2	51.5	0	0	0	0	113.3	G267 V271	G267-S269 PolarHBondContact O-N 2.67Å; S269-V271 VanDerWaalsContact C-N 3.3Å
270	S	97.9	Very high	98.3	Very high	46 Å²	46	51.7 Å²	51.7	32%	0.322	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-80.2	-7.6	179	66.3	0	0	0	0	114.4	G267 M268	G267-S270 WeakPolarHBondContact O-CB 3.49Å; G267-S270 PolarHBondContact O-N 3.47Å; G267-S270 PolarHBondContact O-OG 3.01Å; M268-S270 PolarHBondContact O-N 3.11Å
271	V	98	Very high	98.3	Very high	20 Å²	20	51.9 Å²	51.9	12%	0.121	28%	0.278	C	S	.	.	S	Bend	trans	-128.5	160.2	-174.1	-62.5	0	0	0	0	112.2	F260 E262 V263 M268 S269 L274	F260-V271 HydrophobicContact CB-CG1 3.75Å; F260-V271 HydrophobicContact CD1-CB 4.31Å; F260-V271 HydrophobicContact CD1-CG1 3.58Å; F260-V271 HydrophobicContact CD2-CG1 4.37Å; F260-V271 HydrophobicContact CE1-CG1 4.26Å; F260-V271 HydrophobicContact CG-CB 4.32Å; F260-V271 HydrophobicContact CG-CG1 3.64Å; E262-V271 HydrophobicContact CG-CG1 4.42Å; V263-V271 HydrophobicContact CG2-CB 4.33Å; V263-V271 HydrophobicContact CG2-CG1 3.52Å; V263-V271 HydrophobicContact CG2-CG2 3.8Å; M268-V271 HydrophobicContact CE-CG2 4.2Å; M268-V271 VanDerWaalsContact O-CG2 3.32Å; M268-V271 WeakPolarHBondContact O-CG2 3.47Å; M268-V271 PolarHBondContact O-N 3.07Å; S269-V271 VanDerWaalsContact C-N 3.3Å; V271-L274 HydrophobicContact CG2-CG 4.37Å
272	P	97.1	Very high	98.3	Very high	71 Å²	71	49.8 Å²	49.8	46%	0.461	27%	0.265	S	S	.	.			trans	-62.4	170.8	171.7	-20.7	33.5	0	0	0	112.7	L274 V329	P272-L274 PolarHBondContact O-N 3.22Å; P272-V329 HydrophobicContact CB-CG2 3.92Å; P272-V329 HydrophobicContact CG-CG2 4.26Å
273	K	98.1	Very high	98.3	Very high	92 Å²	92	48.7 Å²	48.7	40%	0.4	26%	0.26	S	S	.	.			trans	-63.3	109.6	175.7	-171.9	171.2	-175.1	172.1	0	110.7	S299 F328 V329	K273-S299 WeakPolarHBondContact CE-OG 3.4Å; K273-F328 HydrophobicContact CB-CD1 3.85Å; K273-F328 HydrophobicContact CB-CE1 4.3Å; K273-F328 HydrophobicContact CB-CG 4.43Å; K273-F328 HydrophobicContact CD-CD1 3.99Å; K273-F328 HydrophobicContact CD-CE1 3.76Å; K273-F328 HydrophobicContact CD-CE2 4.35Å; K273-F328 HydrophobicContact CD-CG 4.41Å; K273-F328 HydrophobicContact CD-CZ 3.95Å; K273-F328 HydrophobicContact CG-CD1 4.21Å; K273-F328 HydrophobicContact CG-CE1 4.46Å; K273-F328 HydrophobicContact CG-CG 4.49Å; K273-F328 WeakPolarHBondContact O-CA 3.39Å; K273-V329 PolarHBondContact O-N 3.39Å
274	L	98.8	Very high	98.3	Very high	3 Å²	3	54.9 Å²	54.9	2%	0.016	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	145.6	175.5	-55	-168.7	0	0	0	110.9	R256 F260 M268 V271 P272 S299 V329 F331	R256-L274 HydrophobicContact CG-CD1 3.9Å; F260-L274 HydrophobicContact CD2-CD1 4.2Å; F260-L274 HydrophobicContact CD2-CD2 3.8Å; F260-L274 HydrophobicContact CE2-CD2 3.37Å; F260-L274 HydrophobicContact CZ-CD2 4.27Å; M268-L274 HydrophobicContact CE-CD1 3.99Å; M268-L274 HydrophobicContact CE-CG 4.19Å; V271-L274 HydrophobicContact CG2-CG 4.37Å; P272-L274 PolarHBondContact O-N 3.22Å; L274-S299 VanDerWaalsContact O-CB 3.3Å; L274-S299 WeakPolarHBondContact O-CB 3.26Å; L274-V329 CarbonylContact C-O 3.58Å; L274-V329 WeakPolarHBondContact CA-O 3.37Å; L274-V329 HydrophobicContact CD2-CB 3.89Å; L274-V329 HydrophobicContact CD2-CG1 4.16Å; L274-F331 HydrophobicContact CB-CD1 3.62Å; L274-F331 HydrophobicContact CB-CE1 3.78Å; L274-F331 HydrophobicContact CB-CG 4.38Å; L274-F331 HydrophobicContact CD1-CD1 4.35Å; L274-F331 HydrophobicContact CD1-CG 4.38Å; L274-F331 HydrophobicContact CG-CD1 4.49Å
275	V	98.8	Very high	98.3	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.012	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	129.3	179.1	176.7	0	0	0	0	111	F277 S299 I301 A323 F328 V329 P330 F331	V275-F277 HydrophobicContact CB-CE2 4.47Å; V275-F277 HydrophobicContact CB-CZ 4.34Å; V275-F277 HydrophobicContact CG1-CE1 3.92Å; V275-F277 HydrophobicContact CG1-CE2 3.9Å; V275-F277 HydrophobicContact CG1-CZ 3.53Å; V275-S299 WeakPolarHBondContact CA-O 3.49Å; V275-I301 HydrophobicContact CG1-CB 4.48Å; V275-I301 HydrophobicContact CG1-CD1 3.47Å; V275-I301 VanDerWaalsContact CG1-CD1 3.47Å; V275-I301 HydrophobicContact CG1-CG1 3.72Å; V275-A323 HydrophobicContact CG1-CB 4.35Å; V275-F328 HydrophobicContact CG2-CB 3.62Å; V275-F328 HydrophobicContact CG2-CD2 3.87Å; V275-F328 HydrophobicContact CG2-CG 4.06Å; V275-V329 PolarHBondContact N-O 3.17Å; V275-P330 WeakPolarHBondContact O-CA 3.41Å; V275-F331 WeakPolarHBondContact O-CD1 3.33Å; V275-F331 PolarHBondContact O-N 2.93Å; V275-F331 VanDerWaalsContact O-N 3.08Å
276	A	98.9	Very high	98.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	151.9	174.3	0	0	0	0	0	110.6	M252 S299 V300 I301 F331 F332	M252-A276 HydrophobicContact CE-CB 4.13Å; A276-S299 PolarHBondContact N-O 3.13Å; A276-V300 HydrophobicContact CB-CG2 4.43Å; A276-V300 CarbonylContact O-C 3.46Å; A276-V300 WeakPolarHBondContact O-CA 3.41Å; A276-I301 PolarHBondContact O-N 2.81Å; A276-F331 HydrophobicContact CB-CE1 3.91Å; A276-F331 HydrophobicContact CB-CZ 4.25Å; A276-F332 CarbonylContact C-O 3.57Å; A276-F332 VanDerWaalsContact CA-O 3.28Å; A276-F332 WeakPolarHBondContact CA-O 3.46Å; A276-F332 HydrophobicContact CB-CB 4.17Å; A276-F332 HydrophobicContact CB-CD1 4.03Å
277	F	98.9	Very high	98.3	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	141.5	179.2	-51.1	-93.5	0	0	0	110.5	V275 I301 I303 L316 R319 I320 A323 P330 F332 V333 S334	V275-F277 HydrophobicContact CB-CE2 4.47Å; V275-F277 HydrophobicContact CB-CZ 4.34Å; V275-F277 HydrophobicContact CG1-CE1 3.92Å; V275-F277 HydrophobicContact CG1-CE2 3.9Å; V275-F277 HydrophobicContact CG1-CZ 3.53Å; F277-I301 WeakPolarHBondContact CA-O 3.47Å; F277-I301 HydrophobicContact CD1-CB 3.83Å; F277-I301 HydrophobicContact CD1-CG2 4.16Å; F277-I301 HydrophobicContact CE1-CB 4.08Å; F277-I301 HydrophobicContact CE1-CD1 3.89Å; F277-I301 HydrophobicContact CE1-CG1 4.44Å; F277-I301 HydrophobicContact CE1-CG2 4.38Å; F277-I303 HydrophobicContact CB-CD1 4.18Å; F277-I303 HydrophobicContact CB-CG1 4.14Å; F277-I303 HydrophobicContact CD1-CD1 3.81Å; F277-I303 HydrophobicContact CG-CD1 4.44Å; F277-L316 HydrophobicContact CB-CD1 3.7Å; F277-L316 HydrophobicContact CD1-CD1 4.32Å; F277-L316 HydrophobicContact CG-CD1 3.95Å; F277-R319 HydrophobicContact CD1-CB 4.13Å; F277-R319 HydrophobicContact CE1-CB 3.91Å; F277-I320 HydrophobicContact CD1-CG1 4.48Å; F277-I320 HydrophobicContact CD2-CG1 4.16Å; F277-I320 HydrophobicContact CE1-CG1 4.1Å; F277-I320 HydrophobicContact CE2-CG1 3.82Å; F277-I320 HydrophobicContact CG-CG1 4.49Å; F277-I320 HydrophobicContact CZ-CB 4.42Å; F277-I320 HydrophobicContact CZ-CG1 3.76Å; F277-A323 HydrophobicContact CZ-CB 4.04Å; F277-P330 HydrophobicContact CE2-CB 3.7Å; F277-P330 HydrophobicContact CE2-CG 4.22Å; F277-P330 HydrophobicContact CZ-CB 4.18Å; F277-P330 HydrophobicContact CZ-CG 4.2Å; F277-F332 PolarHBondContact N-O 2.93Å; F277-V333 HydrophobicContact CB-CG2 4.21Å; F277-V333 HydrophobicContact CD2-CG2 4.16Å; F277-V333 WeakPolarHBondContact O-CA 3.45Å; F277-S334 PolarHBondContact O-N 2.95Å
278	T	98.9	Very high	98.3	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.006	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	157.5	177.7	-167.7	0	0	0	0	109.7	S282 I286 V300 I301 C302 I303 S334	T278-S282 VanDerWaalsContact CG2-OG 3.25Å; T278-S282 WeakPolarHBondContact CG2-OG 3.36Å; T278-S282 WeakPolarHBondContact OG1-CB 3.28Å; T278-S282 PolarHBondContact OG1-OG 3.25Å; T278-I286 HydrophobicContact CG2-CB 4.31Å; T278-I286 HydrophobicContact CG2-CG2 4.02Å; T278-V300 HydrophobicContact CG2-CG1 3.77Å; T278-I301 PolarHBondContact N-O 2.88Å; T278-C302 CarbonylContact O-C 3.44Å; T278-C302 VanDerWaalsContact O-CA 3.31Å; T278-C302 WeakPolarHBondContact O-CA 3.01Å; T278-I303 PolarHBondContact O-N 3.18Å; T278-S334 PolarHBondContact OG1-O 3.05Å
279	S	98.7	Very high	98.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	145.1	174.1	176.7	0	0	0	0	111.1	H281 S282	S279-H281 PolarHBondContact O-N 3Å; S279-H281 PolarHBondContact OG-N 3.15Å; S279-H281 VanDerWaalsContact OG-N 3.14Å; S279-S282 WeakPolarHBondContact O-CB 3.43Å; S279-S282 PolarHBondContact O-N 2.98Å; S279-S282 PolarHBondContact O-OG 3.44Å
280	E	97.9	Very high	98.4	Very high	98 Å²	98	38.8 Å²	38.8	46%	0.458	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-19.5	169.2	69	-170.7	169.2	0	0	113.1	C302 I303 A305	E280-C302 HydrophobicContact CB-CB 4.04Å; E280-I303 PolarHBondContact N-O 3.02Å; E280-A305 HydrophobicContact CG-CB 4.04Å; E280-A305 PolarHBondContact OE1-N 3.41Å
281	H	98.1	Very high	98.5	Very high	39 Å²	39	39.1 Å²	39.1	18%	0.181	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	6.4	174.7	-63	170.1	0	0	0	114	S279 G309 T339 Q551	S279-H281 PolarHBondContact O-N 3Å; S279-H281 PolarHBondContact OG-N 3.15Å; S279-H281 VanDerWaalsContact OG-N 3.14Å; H281-G309 WeakPolarHBondContact ND1-CA 3.27Å; H281-T339 HydrophobicContact CB-CG2 4.26Å; H281-Q551 PolarHBondContact CD2-NE2 3.28Å; H281-Q551 PolarHBondContact CE1-NE2 2.99Å; H281-Q551 VanDerWaalsContact CE1-NE2 3.29Å; H281-Q551 PolarHBondContact ND1-NE2 2.84Å; H281-Q551 PolarHBondContact NE2-NE2 3.49Å
282	S	97.8	Very high	98.5	Very high	23 Å²	23	41.7 Å²	41.7	16%	0.161	22%	0.22	C	C	.	.	S	Bend	trans	-67.2	166.2	176.4	65.5	0	0	0	0	112.3	T278 S279 T336	T278-S282 VanDerWaalsContact CG2-OG 3.25Å; T278-S282 WeakPolarHBondContact CG2-OG 3.36Å; T278-S282 WeakPolarHBondContact OG1-CB 3.28Å; T278-S282 PolarHBondContact OG1-OG 3.25Å; S279-S282 WeakPolarHBondContact O-CB 3.43Å; S279-S282 PolarHBondContact O-N 2.98Å; S279-S282 PolarHBondContact O-OG 3.44Å; S282-T336 WeakPolarHBondContact CB-OG1 3.39Å
283	H	98.6	Very high	98.6	Very high	45 Å²	45	39.4 Å²	39.4	21%	0.208	20%	0.203	C	C	.	.			trans	-67	138	177	-170.1	-98.2	0	0	0	111.2	S285 I286	H283-S285 WeakPolarHBondContact ND1-CB 3.34Å; H283-S285 PolarHBondContact ND1-N 2.86Å; H283-S285 VanDerWaalsContact ND1-N 3.17Å; H283-S285 PolarHBondContact ND1-OG 3.31Å; H283-S285 PolarHBondContact O-N 2.84Å; H283-I286 PolarHBondContact O-N 3.14Å
284	F	97.9	Very high	98.6	Very high	136 Å²	136	37.4 Å²	37.4	60%	0.596	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-15.9	-177.6	73.6	-86.3	0	0	0	114	I286 K287 K288	F284-I286 PolarHBondContact O-N 3.26Å; F284-K287 PolarHBondContact O-N 3.05Å; F284-K288 HydrophobicContact CE2-CD 4.24Å; F284-K288 PolarHBondContact O-N 3.06Å; F284-K288 VanDerWaalsContact O-N 3.08Å
285	S	98.8	Very high	98.6	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.007	21%	0.211	C	C	.	.	H	α-helix	trans	-59.2	-26.2	177.8	58.6	0	0	0	0	113.5	N248 H283 K288 G289	N248-S285 PolarHBondContact ND2-OG 2.76Å; H283-S285 WeakPolarHBondContact ND1-CB 3.34Å; H283-S285 PolarHBondContact ND1-N 2.86Å; H283-S285 VanDerWaalsContact ND1-N 3.17Å; H283-S285 PolarHBondContact ND1-OG 3.31Å; H283-S285 PolarHBondContact O-N 2.84Å; S285-K288 PolarHBondContact O-N 3.02Å; S285-G289 PolarHBondContact O-N 3.07Å
286	I	98.8	Very high	98.6	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-63.9	-46.6	176.3	-55.6	-57.8	0	0	0	110.6	N248 M252 T278 H283 F284 G289 A290 V300 F332 S334	N248-I286 HydrophobicContact CB-CD1 3.84Å; M252-I286 HydrophobicContact CE-CG2 3.69Å; T278-I286 HydrophobicContact CG2-CB 4.31Å; T278-I286 HydrophobicContact CG2-CG2 4.02Å; H283-I286 PolarHBondContact O-N 3.14Å; F284-I286 PolarHBondContact O-N 3.26Å; I286-G289 PolarHBondContact O-N 2.85Å; I286-A290 PolarHBondContact O-N 3.24Å; I286-V300 HydrophobicContact CG2-CG1 3.99Å; I286-F332 HydrophobicContact CD1-CE1 4.44Å; I286-F332 HydrophobicContact CG2-CE1 4.47Å; I286-S334 WeakPolarHBondContact CD1-OG 3.38Å
287	K	98.7	Very high	98.5	Very high	91 Å²	91	42.8 Å²	42.8	40%	0.396	25%	0.248	S	C	.	.	H	α-helix	trans	-65.9	-41	174.5	-72.4	-170.5	176.6	-178.8	0	111.8	F284 A290 A291 T297 V300 C302	F284-K287 PolarHBondContact O-N 3.05Å; K287-A290 PolarHBondContact O-N 3.03Å; K287-A291 PolarHBondContact O-N 3.16Å; K287-T297 HydrophobicContact CB-CG2 4.43Å; K287-V300 HydrophobicContact CG-CB 4.04Å; K287-V300 HydrophobicContact CG-CG1 3.88Å; K287-V300 HydrophobicContact CG-CG2 4.44Å; K287-C302 WeakPolarHBondContact CE-SG 3.48Å; K287-C302 PolarHBondContact NZ-SG 2.99Å
288	K	98.8	Very high	98.5	Very high	141 Å²	141	50.6 Å²	50.6	61%	0.613	28%	0.284	S	S	*	.	H	α-helix	trans	-61.9	-43.5	177.1	-168.7	176.2	-179.4	178.8	0	111.8	F284 S285 A291 A292	F284-K288 HydrophobicContact CE2-CD 4.24Å; F284-K288 PolarHBondContact O-N 3.06Å; F284-K288 VanDerWaalsContact O-N 3.08Å; S285-K288 PolarHBondContact O-N 3.02Å; K288-A291 PolarHBondContact O-N 3.15Å; K288-A292 WeakPolarHBondContact O-CB 3Å; K288-A292 PolarHBondContact O-N 3.26Å
289	G	98.7	Very high	98.5	Very high	4 Å²	4	50.9 Å²	50.9	4%	0.041	29%	0.286	C	S	.	.	H	α-helix	trans	-63.2	-46.3	176.1	0	0	0	0	0	111.8	S285 I286 A291 A292 L293	S285-G289 PolarHBondContact O-N 3.07Å; I286-G289 PolarHBondContact O-N 2.85Å; G289-A291 VanDerWaalsContact C-N 3.31Å; G289-A291 PolarHBondContact O-N 3.24Å; G289-A292 PolarHBondContact O-N 3.44Å; G289-L293 WeakPolarHBondContact O-CB 3.45Å; G289-L293 VanDerWaalsContact O-CG 3.24Å; G289-L293 WeakPolarHBondContact O-CG 3.27Å; G289-L293 PolarHBondContact O-N 2.92Å
290	A	98.8	Very high	98.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-60.5	-39.5	176.1	0	0	0	0	0	112.9	M252 I286 K287 G294 I295 G296 V300	M252-A290 HydrophobicContact CE-CB 4.2Å; M252-A290 HydrophobicContact SD-CB 3.83Å; I286-A290 PolarHBondContact O-N 3.24Å; K287-A290 PolarHBondContact O-N 3.03Å; A290-G294 PolarHBondContact O-N 2.74Å; A290-I295 HydrophobicContact CB-CB 4.18Å; A290-I295 HydrophobicContact CB-CG2 4.34Å; A290-I295 WeakPolarHBondContact O-CB 3.26Å; A290-I295 PolarHBondContact O-N 3.37Å; A290-G296 PolarHBondContact O-N 3.28Å; A290-G296 VanDerWaalsContact O-N 3.13Å; A290-V300 HydrophobicContact CB-CG2 3.23Å
291	A	98.8	Very high	98.5	Very high	53 Å²	53	48.6 Å²	48.6	44%	0.438	28%	0.277	S	S	.	.	H	α-helix	trans	-62.5	-50.2	174.1	0	0	0	0	0	111.4	K287 K288 G289 L293 G294 T297	K287-A291 PolarHBondContact O-N 3.16Å; K288-A291 PolarHBondContact O-N 3.15Å; G289-A291 VanDerWaalsContact C-N 3.31Å; G289-A291 PolarHBondContact O-N 3.24Å; A291-L293 VanDerWaalsContact C-N 3.31Å; A291-L293 PolarHBondContact O-N 3.18Å; A291-G294 PolarHBondContact O-N 3.37Å; A291-T297 HydrophobicContact CB-CG2 3.96Å
292	A	98.7	Very high	98.5	Very high	74 Å²	74	48.7 Å²	48.7	61%	0.612	28%	0.281	S	S	*	.	H	α-helix	trans	-63.5	-34.9	-179.3	0	0	0	0	0	113.1	M249 K288 G289 G294	M249-A292 HydrophobicContact SD-CB 4.2Å; K288-A292 WeakPolarHBondContact O-CB 3Å; K288-A292 PolarHBondContact O-N 3.26Å; G289-A292 PolarHBondContact O-N 3.44Å; A292-G294 VanDerWaalsContact C-N 3.26Å; A292-G294 PolarHBondContact O-N 2.69Å
293	L	98.7	Very high	98.6	Very high	23 Å²	23	47.6 Å²	47.6	12%	0.12	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	1.5	179.9	-67	175	0	0	0	113.8	M249 M252 L253 R256 G289 A291 I295	M249-L293 HydrophobicContact CG-CD1 4.1Å; M249-L293 HydrophobicContact CG-CD2 4.28Å; M249-L293 HydrophobicContact CG-CG 4.1Å; M252-L293 HydrophobicContact CB-CD1 3.97Å; M252-L293 HydrophobicContact CG-CD1 3.9Å; M252-L293 HydrophobicContact SD-CD1 4.05Å; L253-L293 HydrophobicContact CB-CD1 4.15Å; L253-L293 HydrophobicContact CB-CD2 4.19Å; L253-L293 HydrophobicContact CD1-CD2 4.18Å; R256-L293 PolarHBondContact NH1-O 3.18Å; G289-L293 WeakPolarHBondContact O-CB 3.45Å; G289-L293 VanDerWaalsContact O-CG 3.24Å; G289-L293 WeakPolarHBondContact O-CG 3.27Å; G289-L293 PolarHBondContact O-N 2.92Å; A291-L293 VanDerWaalsContact C-N 3.31Å; A291-L293 PolarHBondContact O-N 3.18Å; L293-I295 VanDerWaalsContact C-N 3.33Å; L293-I295 HydrophobicContact CB-CD1 3.95Å; L293-I295 HydrophobicContact CB-CG1 4.36Å; L293-I295 HydrophobicContact CD1-CD1 4.32Å
294	G	98.4	Very high	98.6	Very high	50 Å²	50	50.8 Å²	50.8	52%	0.515	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.6	17	-179.8	0	0	0	0	0	114.7	A290 A291 A292	A290-G294 PolarHBondContact O-N 2.74Å; A291-G294 PolarHBondContact O-N 3.37Å; A292-G294 VanDerWaalsContact C-N 3.26Å; A292-G294 PolarHBondContact O-N 2.69Å
295	I	98.5	Very high	98.6	Very high	13 Å²	13	45 Å²	45	7%	0.067	26%	0.264	C	S	.	.	S	Bend	trans	-84.1	-31.6	177	-64.3	157.9	0	0	0	111	M252 M268 A290 L293 S299 F331	M252-I295 HydrophobicContact CG-CD1 3.95Å; M252-I295 HydrophobicContact SD-CD1 3.59Å; M252-I295 VanDerWaalsContact SD-CD1 3.59Å; M268-I295 HydrophobicContact CE-CG1 3.92Å; M268-I295 HydrophobicContact SD-CG1 4.38Å; A290-I295 HydrophobicContact CB-CB 4.18Å; A290-I295 HydrophobicContact CB-CG2 4.34Å; A290-I295 WeakPolarHBondContact O-CB 3.26Å; A290-I295 PolarHBondContact O-N 3.37Å; L293-I295 VanDerWaalsContact C-N 3.33Å; L293-I295 HydrophobicContact CB-CD1 3.95Å; L293-I295 HydrophobicContact CB-CG1 4.36Å; L293-I295 HydrophobicContact CD1-CD1 4.32Å; I295-S299 VanDerWaalsContact O-CB 3.28Å; I295-S299 WeakPolarHBondContact O-CB 3.36Å; I295-S299 PolarHBondContact O-OG 2.79Å; I295-F331 HydrophobicContact CD1-CE1 4.47Å; I295-F331 HydrophobicContact CD1-CZ 3.75Å
296	G	98.4	Very high	98.5	Very high	30 Å²	30	48 Å²	48	31%	0.309	28%	0.28	S	S	.	.			trans	87.4	146	-179.8	0	0	0	0	0	113.4	A290 E298 S299	A290-G296 PolarHBondContact O-N 3.28Å; A290-G296 VanDerWaalsContact O-N 3.13Å; G296-E298 PolarHBondContact O-N 2.99Å; G296-S299 WeakPolarHBondContact O-CB 3.41Å; G296-S299 PolarHBondContact O-N 3.33Å
297	T	98.6	Very high	98.3	Very high	76 Å²	76	55 Å²	55	47%	0.466	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-70.7	-29.5	-176.2	51.6	0	0	0	0	113.3	K287 A291 S299 V300	K287-T297 HydrophobicContact CB-CG2 4.43Å; A291-T297 HydrophobicContact CB-CG2 3.96Å; T297-S299 PolarHBondContact O-N 3.04Å; T297-V300 PolarHBondContact O-N 3.45Å; T297-V300 VanDerWaalsContact O-N 3.12Å
298	E	98.1	Very high	98.2	Very high	164 Å²	164	52.5 Å²	52.5	77%	0.766	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-66.5	-23.2	173.8	-64.1	-174	171.7	0	0	113.1	G296 V300	G296-E298 PolarHBondContact O-N 2.99Å; E298-V300 PolarHBondContact O-N 3.47Å
299	S	98.4	Very high	98.1	Very high	6 Å²	6	45.8 Å²	45.8	4%	0.042	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-82	-0.9	175.8	-57.3	0	0	0	0	112.4	K273 L274 V275 A276 I295 G296 T297	K273-S299 WeakPolarHBondContact CE-OG 3.4Å; L274-S299 VanDerWaalsContact O-CB 3.3Å; L274-S299 WeakPolarHBondContact O-CB 3.26Å; V275-S299 WeakPolarHBondContact CA-O 3.49Å; A276-S299 PolarHBondContact N-O 3.13Å; I295-S299 VanDerWaalsContact O-CB 3.28Å; I295-S299 WeakPolarHBondContact O-CB 3.36Å; I295-S299 PolarHBondContact O-OG 2.79Å; G296-S299 WeakPolarHBondContact O-CB 3.41Å; G296-S299 PolarHBondContact O-N 3.33Å; T297-S299 PolarHBondContact O-N 3.04Å
300	V	98.8	Very high	98.1	Very high	7 Å²	7	48.3 Å²	48.3	4%	0.042	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	98.2	171.4	-175.3	0	0	0	0	108.9	A276 T278 I286 K287 A290 T297 E298 C302	A276-V300 HydrophobicContact CB-CG2 4.43Å; A276-V300 CarbonylContact O-C 3.46Å; A276-V300 WeakPolarHBondContact O-CA 3.41Å; T278-V300 HydrophobicContact CG2-CG1 3.77Å; I286-V300 HydrophobicContact CG2-CG1 3.99Å; K287-V300 HydrophobicContact CG-CB 4.04Å; K287-V300 HydrophobicContact CG-CG1 3.88Å; K287-V300 HydrophobicContact CG-CG2 4.44Å; A290-V300 HydrophobicContact CB-CG2 3.23Å; T297-V300 PolarHBondContact O-N 3.45Å; T297-V300 VanDerWaalsContact O-N 3.12Å; E298-V300 PolarHBondContact O-N 3.47Å; V300-C302 PolarHBondContact O-N 3.35Å
301	I	98.8	Very high	98.1	Very high	43 Å²	43	48.5 Å²	48.5	22%	0.221	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	117.6	-179.5	-60.9	-178.2	0	0	0	109.2	V275 A276 F277 T278 I303 R319	V275-I301 HydrophobicContact CG1-CB 4.48Å; V275-I301 HydrophobicContact CG1-CD1 3.47Å; V275-I301 VanDerWaalsContact CG1-CD1 3.47Å; V275-I301 HydrophobicContact CG1-CG1 3.72Å; A276-I301 PolarHBondContact O-N 2.81Å; F277-I301 WeakPolarHBondContact CA-O 3.47Å; F277-I301 HydrophobicContact CD1-CB 3.83Å; F277-I301 HydrophobicContact CD1-CG2 4.16Å; F277-I301 HydrophobicContact CE1-CB 4.08Å; F277-I301 HydrophobicContact CE1-CD1 3.89Å; F277-I301 HydrophobicContact CE1-CG1 4.44Å; F277-I301 HydrophobicContact CE1-CG2 4.38Å; T278-I301 PolarHBondContact N-O 2.88Å; I301-I303 HydrophobicContact CG2-CD1 4.32Å; I301-R319 HydrophobicContact CG2-CB 4.24Å; I301-R319 HydrophobicContact CG2-CG 4.1Å
302	C	98.6	Very high	98.1	Very high	42 Å²	42	48.8 Å²	48.8	28%	0.284	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	125.6	171.6	-66.7	0	0	0	0	110.2	T278 E280 K287 V300	T278-C302 CarbonylContact O-C 3.44Å; T278-C302 VanDerWaalsContact O-CA 3.31Å; T278-C302 WeakPolarHBondContact O-CA 3.01Å; E280-C302 HydrophobicContact CB-CB 4.04Å; K287-C302 WeakPolarHBondContact CE-SG 3.48Å; K287-C302 PolarHBondContact NZ-SG 2.99Å; V300-C302 PolarHBondContact O-N 3.35Å
303	I	98.8	Very high	98.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	139.5	174.3	-53.1	-52.5	0	0	0	108.9	F277 T278 E280 I301 L311 D315 L316 R319	F277-I303 HydrophobicContact CB-CD1 4.18Å; F277-I303 HydrophobicContact CB-CG1 4.14Å; F277-I303 HydrophobicContact CD1-CD1 3.81Å; F277-I303 HydrophobicContact CG-CD1 4.44Å; T278-I303 PolarHBondContact O-N 3.18Å; E280-I303 PolarHBondContact N-O 3.02Å; I301-I303 HydrophobicContact CG2-CD1 4.32Å; I303-L311 HydrophobicContact CB-CD1 3.78Å; I303-L311 HydrophobicContact CB-CG 3.94Å; I303-L311 HydrophobicContact CG1-CD1 4.06Å; I303-L311 HydrophobicContact CG2-CD1 4Å; I303-L311 HydrophobicContact CG2-CD2 3.97Å; I303-L311 HydrophobicContact CG2-CG 3.63Å; I303-D315 HydrophobicContact CG2-CB 3.84Å; I303-D315 WeakPolarHBondContact CG2-OD2 3.5Å; I303-L316 HydrophobicContact CD1-CB 4.4Å; I303-L316 HydrophobicContact CD1-CD1 4.03Å; I303-L316 HydrophobicContact CG1-CB 4.29Å; I303-L316 HydrophobicContact CG1-CD1 3.97Å; I303-L316 HydrophobicContact CG2-CB 4.06Å; I303-R319 HydrophobicContact CD1-CB 3.73Å; I303-R319 HydrophobicContact CD1-CG 3.7Å
304	K	98.6	Very high	98.1	Very high	111 Å²	111	49.2 Å²	49.2	48%	0.483	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-57.8	143	177.5	-68.9	-176.5	175.7	-172.8	0	111.6	I312 D315	K304-I312 HydrophobicContact CB-CD1 4.1Å; K304-I312 PolarHBondContact O-N 3.22Å; K304-D315 HydrophobicContact CB-CB 4.31Å; K304-D315 WeakPolarHBondContact CG-OD2 3.17Å; K304-D315 PolarHBondContact N-OD2 2.74Å
305	A	98.1	Very high	98.1	Very high	14 Å²	14	47.3 Å²	47.3	12%	0.116	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-102.2	154	169.1	0	0	0	0	0	111.4	E280 K310	E280-A305 HydrophobicContact CG-CB 4.04Å; E280-A305 PolarHBondContact OE1-N 3.41Å; A305-K310 CarbonylContact C-O 3.5Å; A305-K310 WeakPolarHBondContact CA-O 3.47Å
306	D	97	Very high	98.1	Very high	64 Å²	64	46.7 Å²	46.7	34%	0.342	26%	0.26	S	S	.	.			trans	-74.6	178.6	168.4	70	15.5	0	0	0	111.4	C308 G309 K310 I312	D306-C308 PolarHBondContact O-N 3.25Å; D306-C308 VanDerWaalsContact OD1-C 3.28Å; D306-C308 WeakPolarHBondContact OD1-CA 3.27Å; D306-C308 WeakPolarHBondContact OD1-CB 3.28Å; D306-C308 PolarHBondContact OD1-N 2.91Å; D306-G309 WeakPolarHBondContact O-CA 3.39Å; D306-G309 PolarHBondContact O-N 3.08Å; D306-G309 PolarHBondContact OD1-N 3.42Å; D306-K310 PolarHBondContact N-O 3.35Å; D306-K310 PolarHBondContact OD1-N 3.1Å; D306-I312 HydrophobicContact CB-CD1 4.49Å; D306-I312 HydrophobicContact CB-CG1 4.25Å
307	E	94.9	Very high	98.1	Very high	149 Å²	149	47.8 Å²	47.8	70%	0.696	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-27.6	-179.3	-64.6	-178.4	164.2	0	0	113.1	G309 F496	E307-G309 PolarHBondContact O-N 3.02Å; E307-F496 WeakPolarHBondContact O-CB 3.07Å
308	C	95.3	Very high	98.2	Very high	39 Å²	39	48.4 Å²	48.4	26%	0.264	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	0.7	173.6	-71.3	0	0	0	0	112.9	D306 A344	D306-C308 PolarHBondContact O-N 3.25Å; D306-C308 VanDerWaalsContact OD1-C 3.28Å; D306-C308 WeakPolarHBondContact OD1-CA 3.27Å; D306-C308 WeakPolarHBondContact OD1-CB 3.28Å; D306-C308 PolarHBondContact OD1-N 2.91Å; C308-A344 WeakPolarHBondContact O-CB 3.37Å
309	G	97	Very high	98.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.228	C	C	.	.	S	Bend	trans	80.7	18.3	177	0	0	0	0	0	115.3	H281 D306 E307	H281-G309 WeakPolarHBondContact ND1-CA 3.27Å; D306-G309 WeakPolarHBondContact O-CA 3.39Å; D306-G309 PolarHBondContact O-N 3.08Å; D306-G309 PolarHBondContact OD1-N 3.42Å; E307-G309 PolarHBondContact O-N 3.02Å
310	K	98.4	Very high	98.2	Very high	57 Å²	57	43.9 Å²	43.9	25%	0.248	23%	0.226	C	C	.	.			trans	-92.1	140.5	176.6	-52.3	176.9	-180	171.7	0	111.3	A305 D306 I312 A344 F345 Q501	A305-K310 CarbonylContact C-O 3.5Å; A305-K310 WeakPolarHBondContact CA-O 3.47Å; D306-K310 PolarHBondContact N-O 3.35Å; D306-K310 PolarHBondContact OD1-N 3.1Å; K310-I312 PolarHBondContact O-N 3.44Å; K310-A344 HydrophobicContact CG-CB 4.33Å; K310-F345 WeakPolarHBondContact CD-O 3.37Å; K310-F345 WeakPolarHBondContact CG-O 3.33Å; K310-Q501 VanDerWaalsContact CE-CD 3.47Å; K310-Q501 VanDerWaalsContact CE-OE1 3.29Å; K310-Q501 VanDerWaalsContact NZ-NE2 3.11Å
311	L	98.5	Very high	98.2	Very high	3 Å²	3	46.8 Å²	46.8	2%	0.016	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-54.6	134	173.6	-175.6	150.4	0	0	0	111.6	I303 P313 L316 D346 P347 I351	I303-L311 HydrophobicContact CB-CD1 3.78Å; I303-L311 HydrophobicContact CB-CG 3.94Å; I303-L311 HydrophobicContact CG1-CD1 4.06Å; I303-L311 HydrophobicContact CG2-CD1 4Å; I303-L311 HydrophobicContact CG2-CD2 3.97Å; I303-L311 HydrophobicContact CG2-CG 3.63Å; L311-P313 WeakPolarHBondContact O-CD 3.14Å; L311-L316 HydrophobicContact CD2-CB 4.06Å; L311-L316 HydrophobicContact CD2-CD2 4.33Å; L311-D346 HydrophobicContact CB-CB 4.21Å; L311-D346 VanDerWaalsContact CB-CG 3.47Å; L311-D346 VanDerWaalsContact CB-OD1 3.27Å; L311-D346 WeakPolarHBondContact CB-OD1 3.14Å; L311-D346 PolarHBondContact N-OD1 3.04Å; L311-P347 WeakPolarHBondContact O-CD 3.33Å; L311-P347 WeakPolarHBondContact O-CG 3.24Å; L311-I351 HydrophobicContact CB-CD1 4.4Å; L311-I351 HydrophobicContact CD1-CD1 4.44Å; L311-I351 HydrophobicContact CD2-CD1 3.78Å; L311-I351 HydrophobicContact CD2-CG1 3.91Å; L311-I351 HydrophobicContact CG-CD1 4.44Å
312	I	98.9	Very high	98.2	Very high	59 Å²	59	47.8 Å²	47.8	30%	0.303	25%	0.245	S	C	.	.			trans	-88.1	112.2	176.9	-60.4	172.6	0	0	0	109.9	K304 D306 K310 A314 D315 L316	K304-I312 HydrophobicContact CB-CD1 4.1Å; K304-I312 PolarHBondContact O-N 3.22Å; D306-I312 HydrophobicContact CB-CD1 4.49Å; D306-I312 HydrophobicContact CB-CG1 4.25Å; K310-I312 PolarHBondContact O-N 3.44Å; I312-A314 VanDerWaalsContact C-N 3.33Å; I312-A314 HydrophobicContact CG2-CB 4.34Å; I312-A314 PolarHBondContact O-N 3.28Å; I312-D315 HydrophobicContact CB-CB 4.14Å; I312-D315 HydrophobicContact CG2-CB 4.22Å; I312-D315 WeakPolarHBondContact O-CB 3.39Å; I312-D315 PolarHBondContact O-N 3.42Å; I312-L316 PolarHBondContact O-N 2.76Å
313	P	98.8	Very high	98.2	Very high	34 Å²	34	45.9 Å²	45.9	22%	0.221	23%	0.232	C	C	.	.	H	α-helix	trans	-60.8	-36.8	-175.7	-27.4	37.5	0	0	0	114.3	L311 D315 L316 E317 P347 A350 I354	L311-P313 WeakPolarHBondContact O-CD 3.14Å; P313-D315 VanDerWaalsContact C-N 3.25Å; P313-D315 PolarHBondContact O-N 3.41Å; P313-L316 WeakPolarHBondContact O-CB 3.38Å; P313-L316 PolarHBondContact O-N 3.38Å; P313-E317 PolarHBondContact O-N 3.08Å; P313-P347 HydrophobicContact CG-CB 4.45Å; P313-P347 HydrophobicContact CG-CG 3.56Å; P313-A350 HydrophobicContact CB-CB 4.08Å; P313-A350 HydrophobicContact CG-CB 3.81Å; P313-I354 HydrophobicContact CB-CD1 3.76Å; P313-I354 VanDerWaalsContact O-CD1 3.25Å; P313-I354 WeakPolarHBondContact O-CD1 3.39Å
314	A	98.8	Very high	98.2	Very high	72 Å²	72	51.1 Å²	51.1	60%	0.595	26%	0.255	S	S	*	.	H	α-helix	trans	-62.4	-34.3	177.1	0	0	0	0	0	112.2	I312 R318	I312-A314 VanDerWaalsContact C-N 3.33Å; I312-A314 HydrophobicContact CG2-CB 4.34Å; I312-A314 PolarHBondContact O-N 3.28Å; A314-R318 WeakPolarHBondContact O-CB 3.5Å; A314-R318 PolarHBondContact O-N 3Å; A314-R318 VanDerWaalsContact O-N 3.13Å
315	D	98.9	Very high	98.2	Very high	10 Å²	10	53.7 Å²	53.7	5%	0.053	27%	0.268	C	S	.	.	H	α-helix	trans	-70.8	-40.8	175.4	-165.8	63.3	0	0	0	111.2	I303 K304 I312 P313 R318 R319	I303-D315 HydrophobicContact CG2-CB 3.84Å; I303-D315 WeakPolarHBondContact CG2-OD2 3.5Å; K304-D315 HydrophobicContact CB-CB 4.31Å; K304-D315 WeakPolarHBondContact CG-OD2 3.17Å; K304-D315 PolarHBondContact N-OD2 2.74Å; I312-D315 HydrophobicContact CB-CB 4.14Å; I312-D315 HydrophobicContact CG2-CB 4.22Å; I312-D315 WeakPolarHBondContact O-CB 3.39Å; I312-D315 PolarHBondContact O-N 3.42Å; P313-D315 VanDerWaalsContact C-N 3.25Å; P313-D315 PolarHBondContact O-N 3.41Å; D315-R318 PolarHBondContact O-N 3.32Å; D315-R318 IonicContact OD1-CZ 3.84Å; D315-R318 IonicContact OD1-NE 2.6Å; D315-R318 PolarHBondContact OD1-NE 3.12Å; D315-R318 IonicContact OD1-NH2 3.4Å; D315-R318 PolarHBondContact OD1-NH2 2.85Å; D315-R319 WeakPolarHBondContact O-CB 3.5Å; D315-R319 WeakPolarHBondContact O-CG 3.41Å; D315-R319 PolarHBondContact O-N 2.93Å
316	L	98.9	Very high	98.2	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-57.2	-51.4	173.8	172	64.6	0	0	0	111.8	F277 I303 L311 I312 P313 R318 R319 I320 V333 I351 I354	F277-L316 HydrophobicContact CB-CD1 3.7Å; F277-L316 HydrophobicContact CD1-CD1 4.32Å; F277-L316 HydrophobicContact CG-CD1 3.95Å; I303-L316 HydrophobicContact CD1-CB 4.4Å; I303-L316 HydrophobicContact CD1-CD1 4.03Å; I303-L316 HydrophobicContact CG1-CB 4.29Å; I303-L316 HydrophobicContact CG1-CD1 3.97Å; I303-L316 HydrophobicContact CG2-CB 4.06Å; L311-L316 HydrophobicContact CD2-CB 4.06Å; L311-L316 HydrophobicContact CD2-CD2 4.33Å; I312-L316 PolarHBondContact O-N 2.76Å; P313-L316 WeakPolarHBondContact O-CB 3.38Å; P313-L316 PolarHBondContact O-N 3.38Å; L316-R318 VanDerWaalsContact C-N 3.34Å; L316-R318 PolarHBondContact O-N 3.19Å; L316-R319 PolarHBondContact O-N 2.91Å; L316-I320 HydrophobicContact CD1-CD1 3.84Å; L316-I320 HydrophobicContact CD1-CG1 4.19Å; L316-I320 HydrophobicContact CG-CD1 3.98Å; L316-I320 WeakPolarHBondContact O-CG1 3.44Å; L316-I320 PolarHBondContact O-N 3.17Å; L316-V333 HydrophobicContact CD1-CG1 4.28Å; L316-V333 HydrophobicContact CD1-CG2 4.03Å; L316-V333 HydrophobicContact CD2-CG1 4.08Å; L316-I351 HydrophobicContact CD2-CB 4.42Å; L316-I351 HydrophobicContact CD2-CG1 4.25Å; L316-I351 HydrophobicContact CD2-CG2 3.88Å; L316-I354 HydrophobicContact CD2-CB 4.48Å; L316-I354 HydrophobicContact CD2-CD1 4.22Å; L316-I354 HydrophobicContact CD2-CG2 4.18Å; L316-I354 HydrophobicContact CG-CG2 4.21Å
317	E	98.9	Very high	98.2	Very high	53 Å²	53	59.6 Å²	59.6	25%	0.248	30%	0.304	C	S	.	.	H	α-helix	trans	-60.5	-44.8	180	178.3	162.1	-139.2	0	0	111.6	P313 R319 I320 L321 I354 K357 Y358	P313-E317 PolarHBondContact O-N 3.08Å; E317-R319 PolarHBondContact O-N 3.09Å; E317-I320 PolarHBondContact O-N 2.96Å; E317-L321 HydrophobicContact CG-CD1 4.36Å; E317-L321 WeakPolarHBondContact O-CG 3.28Å; E317-L321 PolarHBondContact O-N 3.1Å; E317-L321 VanDerWaalsContact O-N 3.09Å; E317-I354 HydrophobicContact CB-CD1 4.12Å; E317-I354 HydrophobicContact CB-CG1 4.39Å; E317-I354 HydrophobicContact CB-CG2 4.29Å; E317-K357 IonicContact OE1-NZ 2.89Å; E317-K357 PolarHBondContact OE1-NZ 3.26Å; E317-Y358 HydrophobicContact CG-CE2 3.79Å; E317-Y358 VanDerWaalsContact OE1-CE2 3.31Å; E317-Y358 WeakPolarHBondContact OE1-CE2 3.2Å; E317-Y358 PolarHBondContact OE1-OH 3.32Å
318	R	98.8	Very high	98.4	Very high	90 Å²	90	55.5 Å²	55.5	34%	0.34	28%	0.284	S	S	.	.	H	α-helix	trans	-57.4	-46.5	175.1	-176.5	-175.1	65.7	85.2	-2.4	111.8	A314 D315 L316 L321 E322	A314-R318 WeakPolarHBondContact O-CB 3.5Å; A314-R318 PolarHBondContact O-N 3Å; A314-R318 VanDerWaalsContact O-N 3.13Å; D315-R318 PolarHBondContact O-N 3.32Å; D315-R318 IonicContact OD1-CZ 3.84Å; D315-R318 IonicContact OD1-NE 2.6Å; D315-R318 PolarHBondContact OD1-NE 3.12Å; D315-R318 IonicContact OD1-NH2 3.4Å; D315-R318 PolarHBondContact OD1-NH2 2.85Å; L316-R318 VanDerWaalsContact C-N 3.34Å; L316-R318 PolarHBondContact O-N 3.19Å; R318-L321 PolarHBondContact O-N 2.99Å; R318-E322 IonicContact CZ-OE1 3.97Å; R318-E322 VanDerWaalsContact NH1-CD 3.33Å; R318-E322 IonicContact NH1-OE1 3.01Å; R318-E322 PolarHBondContact NH1-OE1 3.07Å; R318-E322 IonicContact NH1-OE2 3.16Å; R318-E322 PolarHBondContact NH1-OE2 2.75Å; R318-E322 WeakPolarHBondContact O-CG 3.44Å; R318-E322 PolarHBondContact O-N 3.39Å
319	R	98.8	Very high	98.6	Very high	74 Å²	74	55.3 Å²	55.3	28%	0.279	28%	0.282	S	S	.	.	H	α-helix	trans	-66.8	-34.8	-179.6	-70.9	-61.2	-165.8	-171.9	7.4	113	F277 I301 I303 D315 L316 E317 E322 A323	F277-R319 HydrophobicContact CD1-CB 4.13Å; F277-R319 HydrophobicContact CE1-CB 3.91Å; I301-R319 HydrophobicContact CG2-CB 4.24Å; I301-R319 HydrophobicContact CG2-CG 4.1Å; I303-R319 HydrophobicContact CD1-CB 3.73Å; I303-R319 HydrophobicContact CD1-CG 3.7Å; D315-R319 WeakPolarHBondContact O-CB 3.5Å; D315-R319 WeakPolarHBondContact O-CG 3.41Å; D315-R319 PolarHBondContact O-N 2.93Å; L316-R319 PolarHBondContact O-N 2.91Å; E317-R319 PolarHBondContact O-N 3.09Å; R319-E322 WeakPolarHBondContact CD-OE2 3.28Å; R319-E322 IonicContact CZ-OE2 2.79Å; R319-E322 IonicContact NH1-OE2 4Å; R319-E322 PolarHBondContact NH1-OE2 3.35Å; R319-A323 WeakPolarHBondContact O-CB 3.15Å; R319-A323 PolarHBondContact O-N 2.98Å
320	I	98.9	Very high	98.6	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62.3	-48.4	172.9	-74.1	169.7	0	0	0	110.2	F277 L316 E317 E322 A323 K324 P330 I354 Y358	F277-I320 HydrophobicContact CD1-CG1 4.48Å; F277-I320 HydrophobicContact CD2-CG1 4.16Å; F277-I320 HydrophobicContact CE1-CG1 4.1Å; F277-I320 HydrophobicContact CE2-CG1 3.82Å; F277-I320 HydrophobicContact CG-CG1 4.49Å; F277-I320 HydrophobicContact CZ-CB 4.42Å; F277-I320 HydrophobicContact CZ-CG1 3.76Å; L316-I320 HydrophobicContact CD1-CD1 3.84Å; L316-I320 HydrophobicContact CD1-CG1 4.19Å; L316-I320 HydrophobicContact CG-CD1 3.98Å; L316-I320 WeakPolarHBondContact O-CG1 3.44Å; L316-I320 PolarHBondContact O-N 3.17Å; E317-I320 PolarHBondContact O-N 2.96Å; I320-E322 PolarHBondContact O-N 3.09Å; I320-A323 PolarHBondContact O-N 3.19Å; I320-K324 HydrophobicContact CG2-CD 4.38Å; I320-K324 WeakPolarHBondContact O-CG 3.45Å; I320-K324 PolarHBondContact O-N 3.14Å; I320-P330 HydrophobicContact CG2-CB 4.3Å; I320-P330 HydrophobicContact CG2-CG 4.05Å; I320-I354 HydrophobicContact CD1-CG2 3.66Å; I320-Y358 HydrophobicContact CD1-CD2 4.37Å; I320-Y358 HydrophobicContact CG2-CD1 4.12Å; I320-Y358 HydrophobicContact CG2-CD2 4Å; I320-Y358 HydrophobicContact CG2-CG 3.77Å
321	L	98.8	Very high	98.7	Very high	68 Å²	68	53.2 Å²	53.2	36%	0.356	27%	0.274	S	S	.	.	H	α-helix	trans	-61.6	-44.5	178.3	-68.2	170.5	0	0	0	111.5	E317 R318 A323 K324 H325 Y358	E317-L321 HydrophobicContact CG-CD1 4.36Å; E317-L321 WeakPolarHBondContact O-CG 3.28Å; E317-L321 PolarHBondContact O-N 3.1Å; E317-L321 VanDerWaalsContact O-N 3.09Å; R318-L321 PolarHBondContact O-N 2.99Å; L321-A323 VanDerWaalsContact C-N 3.34Å; L321-A323 PolarHBondContact O-N 3.15Å; L321-K324 PolarHBondContact O-N 3.14Å; L321-H325 PolarHBondContact O-CD2 3.26Å; L321-H325 PolarHBondContact O-N 2.72Å; L321-Y358 HydrophobicContact CD2-CE1 3.78Å; L321-Y358 HydrophobicContact CG-CE1 4.5Å
322	E	98.8	Very high	98.7	Very high	64 Å²	64	53 Å²	53	30%	0.299	27%	0.273	S	S	.	.	H	α-helix	trans	-57.6	-43.4	175.2	-76.7	175.6	-175.1	0	0	112.8	R318 R319 I320 H325 K326	R318-E322 IonicContact CZ-OE1 3.97Å; R318-E322 VanDerWaalsContact NH1-CD 3.33Å; R318-E322 IonicContact NH1-OE1 3.01Å; R318-E322 PolarHBondContact NH1-OE1 3.07Å; R318-E322 IonicContact NH1-OE2 3.16Å; R318-E322 PolarHBondContact NH1-OE2 2.75Å; R318-E322 WeakPolarHBondContact O-CG 3.44Å; R318-E322 PolarHBondContact O-N 3.39Å; R319-E322 WeakPolarHBondContact CD-OE2 3.28Å; R319-E322 IonicContact CZ-OE2 2.79Å; R319-E322 IonicContact NH1-OE2 4Å; R319-E322 PolarHBondContact NH1-OE2 3.35Å; I320-E322 PolarHBondContact O-N 3.09Å; E322-H325 PolarHBondContact O-N 2.8Å; E322-K326 WeakPolarHBondContact O-CG 3.48Å; E322-K326 PolarHBondContact O-N 3.47Å
323	A	98.6	Very high	98.7	Very high	2 Å²	2	50.2 Å²	50.2	2%	0.017	26%	0.258	C	S	.	.	H	α-helix	trans	-62.8	-44.8	177.1	0	0	0	0	0	111.2	V275 F277 R319 I320 L321 H325 K326 G327 F328 P330	V275-A323 HydrophobicContact CG1-CB 4.35Å; F277-A323 HydrophobicContact CZ-CB 4.04Å; R319-A323 WeakPolarHBondContact O-CB 3.15Å; R319-A323 PolarHBondContact O-N 2.98Å; I320-A323 PolarHBondContact O-N 3.19Å; L321-A323 VanDerWaalsContact C-N 3.34Å; L321-A323 PolarHBondContact O-N 3.15Å; A323-H325 PolarHBondContact O-N 3.49Å; A323-K326 PolarHBondContact O-N 3.04Å; A323-K326 VanDerWaalsContact O-N 3.17Å; A323-G327 PolarHBondContact O-N 3.37Å; A323-F328 HydrophobicContact CB-CB 4.35Å; A323-F328 WeakPolarHBondContact O-CB 3.44Å; A323-F328 PolarHBondContact O-N 2.95Å; A323-P330 HydrophobicContact CB-CG 4.15Å
324	K	98.5	Very high	98.7	Very high	110 Å²	110	48.6 Å²	48.6	48%	0.478	25%	0.248	S	C	.	.	H	α-helix	trans	-63	-41.3	176.8	-66.4	-176.5	74.3	160.9	0	112.1	I320 L321 K326 G327 P330	I320-K324 HydrophobicContact CG2-CD 4.38Å; I320-K324 WeakPolarHBondContact O-CG 3.45Å; I320-K324 PolarHBondContact O-N 3.14Å; L321-K324 PolarHBondContact O-N 3.14Å; K324-K326 PolarHBondContact O-N 3.22Å; K324-G327 PolarHBondContact O-N 3.4Å; K324-P330 HydrophobicContact CD-CG 4.28Å; K324-P330 HydrophobicContact CG-CG 3.67Å
325	H	98.3	Very high	98.7	Very high	166 Å²	166	45.2 Å²	45.2	77%	0.769	22%	0.22	S	C	*	.	H	α-helix	trans	-61.9	-28.8	176	-79.6	-62.8	0	0	0	113.2	L321 E322 A323 G327	L321-H325 PolarHBondContact O-CD2 3.26Å; L321-H325 PolarHBondContact O-N 2.72Å; E322-H325 PolarHBondContact O-N 2.8Å; A323-H325 PolarHBondContact O-N 3.49Å; H325-G327 PolarHBondContact O-N 2.91Å
326	K	98.1	Very high	98.7	Very high	147 Å²	147	44.9 Å²	44.9	64%	0.639	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.6	2.8	173.5	-69	176.7	179.8	-179.7	0	113.8	E322 A323 K324 F328	E322-K326 WeakPolarHBondContact O-CG 3.48Å; E322-K326 PolarHBondContact O-N 3.47Å; A323-K326 PolarHBondContact O-N 3.04Å; A323-K326 VanDerWaalsContact O-N 3.17Å; K324-K326 PolarHBondContact O-N 3.22Å; K326-F328 VanDerWaalsContact C-N 3.26Å; K326-F328 HydrophobicContact CB-CD1 4.37Å; K326-F328 HydrophobicContact CB-CD2 3.98Å; K326-F328 HydrophobicContact CB-CE1 4.31Å; K326-F328 HydrophobicContact CB-CE2 3.93Å; K326-F328 HydrophobicContact CB-CG 4.2Å; K326-F328 HydrophobicContact CB-CZ 4.09Å; K326-F328 HydrophobicContact CD-CD2 4.41Å; K326-F328 HydrophobicContact CD-CE2 3.9Å; K326-F328 HydrophobicContact CD-CZ 4.44Å; K326-F328 PolarHBondContact O-N 3.31Å
327	G	97.9	Very high	98.7	Very high	55 Å²	55	44.9 Å²	44.9	57%	0.567	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.5	13.2	-175	0	0	0	0	0	114	A323 K324 H325	A323-G327 PolarHBondContact O-N 3.37Å; K324-G327 PolarHBondContact O-N 3.4Å; H325-G327 PolarHBondContact O-N 2.91Å
328	F	98.6	Very high	98.7	Very high	63 Å²	63	42.6 Å²	42.6	28%	0.276	21%	0.208	S	C	.	.			trans	-85.2	160.8	174.2	-53.7	-22.5	0	0	0	110.8	K273 V275 A323 K326 P330	K273-F328 HydrophobicContact CB-CD1 3.85Å; K273-F328 HydrophobicContact CB-CE1 4.3Å; K273-F328 HydrophobicContact CB-CG 4.43Å; K273-F328 HydrophobicContact CD-CD1 3.99Å; K273-F328 HydrophobicContact CD-CE1 3.76Å; K273-F328 HydrophobicContact CD-CE2 4.35Å; K273-F328 HydrophobicContact CD-CG 4.41Å; K273-F328 HydrophobicContact CD-CZ 3.95Å; K273-F328 HydrophobicContact CG-CD1 4.21Å; K273-F328 HydrophobicContact CG-CE1 4.46Å; K273-F328 HydrophobicContact CG-CG 4.49Å; K273-F328 WeakPolarHBondContact O-CA 3.39Å; V275-F328 HydrophobicContact CG2-CB 3.62Å; V275-F328 HydrophobicContact CG2-CD2 3.87Å; V275-F328 HydrophobicContact CG2-CG 4.06Å; A323-F328 HydrophobicContact CB-CB 4.35Å; A323-F328 WeakPolarHBondContact O-CB 3.44Å; A323-F328 PolarHBondContact O-N 2.95Å; K326-F328 VanDerWaalsContact C-N 3.26Å; K326-F328 HydrophobicContact CB-CD1 4.37Å; K326-F328 HydrophobicContact CB-CD2 3.98Å; K326-F328 HydrophobicContact CB-CE1 4.31Å; K326-F328 HydrophobicContact CB-CE2 3.93Å; K326-F328 HydrophobicContact CB-CG 4.2Å; K326-F328 HydrophobicContact CB-CZ 4.09Å; K326-F328 HydrophobicContact CD-CD2 4.41Å; K326-F328 HydrophobicContact CD-CE2 3.9Å; K326-F328 HydrophobicContact CD-CZ 4.44Å; K326-F328 PolarHBondContact O-N 3.31Å; F328-P330 VanDerWaalsContact O-CD 3.3Å; F328-P330 WeakPolarHBondContact O-CD 3.16Å
329	V	98.8	Very high	98.7	Very high	35 Å²	35	38.3 Å²	38.3	21%	0.212	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	102.2	-176.3	-177.9	0	0	0	0	110.6	M259 F260 P272 K273 L274 V275 F331	M259-V329 HydrophobicContact SD-CG1 3.71Å; F260-V329 HydrophobicContact CE2-CG1 4.02Å; F260-V329 HydrophobicContact CZ-CG1 4.18Å; P272-V329 HydrophobicContact CB-CG2 3.92Å; P272-V329 HydrophobicContact CG-CG2 4.26Å; K273-V329 PolarHBondContact O-N 3.39Å; L274-V329 CarbonylContact C-O 3.58Å; L274-V329 WeakPolarHBondContact CA-O 3.37Å; L274-V329 HydrophobicContact CD2-CB 3.89Å; L274-V329 HydrophobicContact CD2-CG1 4.16Å; V275-V329 PolarHBondContact N-O 3.17Å; V329-F331 PolarHBondContact O-N 3.01Å
330	P	98.8	Very high	98.7	Very high	12 Å²	12	36.7 Å²	36.7	8%	0.078	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57	122.4	165.8	-28.2	38.5	0	0	0	111	V275 F277 I320 A323 K324 F328 V360	V275-P330 WeakPolarHBondContact O-CA 3.41Å; F277-P330 HydrophobicContact CE2-CB 3.7Å; F277-P330 HydrophobicContact CE2-CG 4.22Å; F277-P330 HydrophobicContact CZ-CB 4.18Å; F277-P330 HydrophobicContact CZ-CG 4.2Å; I320-P330 HydrophobicContact CG2-CB 4.3Å; I320-P330 HydrophobicContact CG2-CG 4.05Å; A323-P330 HydrophobicContact CB-CG 4.15Å; K324-P330 HydrophobicContact CD-CG 4.28Å; K324-P330 HydrophobicContact CG-CG 3.67Å; F328-P330 VanDerWaalsContact O-CD 3.3Å; F328-P330 WeakPolarHBondContact O-CD 3.16Å; P330-V360 HydrophobicContact CB-CG2 3.85Å
331	F	98.9	Very high	98.6	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	-21.6	-179	83	-74.8	0	0	0	114.7	M252 A255 R256 M259 L274 V275 A276 I295 V329 W361	M252-F331 HydrophobicContact CG-CE2 3.98Å; M252-F331 HydrophobicContact CG-CZ 3.81Å; M252-F331 HydrophobicContact SD-CZ 4.39Å; A255-F331 HydrophobicContact CB-CD2 4.08Å; A255-F331 HydrophobicContact CB-CE2 4.21Å; R256-F331 HydrophobicContact CB-CD2 4.38Å; R256-F331 HydrophobicContact CB-CE2 4.06Å; M259-F331 HydrophobicContact CE-CB 3.84Å; M259-F331 HydrophobicContact SD-CB 3.54Å; M259-F331 VanDerWaalsContact SD-CB 3.54Å; L274-F331 HydrophobicContact CB-CD1 3.62Å; L274-F331 HydrophobicContact CB-CE1 3.78Å; L274-F331 HydrophobicContact CB-CG 4.38Å; L274-F331 HydrophobicContact CD1-CD1 4.35Å; L274-F331 HydrophobicContact CD1-CG 4.38Å; L274-F331 HydrophobicContact CG-CD1 4.49Å; V275-F331 WeakPolarHBondContact O-CD1 3.33Å; V275-F331 PolarHBondContact O-N 2.93Å; V275-F331 VanDerWaalsContact O-N 3.08Å; A276-F331 HydrophobicContact CB-CE1 3.91Å; A276-F331 HydrophobicContact CB-CZ 4.25Å; I295-F331 HydrophobicContact CD1-CE1 4.47Å; I295-F331 HydrophobicContact CD1-CZ 3.75Å; V329-F331 PolarHBondContact O-N 3.01Å; F331-W361 WeakPolarHBondContact O-CB 3.38Å; F331-W361 PolarHBondContact O-N 2.89Å
332	F	98.9	Very high	98.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	132.9	-173.4	-178	-98.6	0	0	0	112.6	A251 M252 A255 A276 F277 I286 V360 W361 H363	A251-F332 HydrophobicContact CB-CE2 4.08Å; A251-F332 HydrophobicContact CB-CZ 4.28Å; M252-F332 HydrophobicContact CB-CE1 4.42Å; M252-F332 HydrophobicContact CB-CE2 4.29Å; M252-F332 HydrophobicContact CB-CZ 4.23Å; M252-F332 HydrophobicContact CE-CD1 3.9Å; M252-F332 HydrophobicContact CE-CE1 3.85Å; A255-F332 HydrophobicContact CB-CB 4.4Å; A255-F332 HydrophobicContact CB-CD2 3.61Å; A255-F332 HydrophobicContact CB-CE2 4.39Å; A255-F332 HydrophobicContact CB-CG 4.46Å; A276-F332 CarbonylContact C-O 3.57Å; A276-F332 VanDerWaalsContact CA-O 3.28Å; A276-F332 WeakPolarHBondContact CA-O 3.46Å; A276-F332 HydrophobicContact CB-CB 4.17Å; A276-F332 HydrophobicContact CB-CD1 4.03Å; F277-F332 PolarHBondContact N-O 2.93Å; I286-F332 HydrophobicContact CD1-CE1 4.44Å; I286-F332 HydrophobicContact CG2-CE1 4.47Å; F332-V360 VanDerWaalsContact N-CG1 3.3Å; F332-W361 HydrophobicContact CD2-CB 4.33Å; F332-W361 AromaticContact CD2-CD1 3.57Å; F332-W361 HydrophobicContact CD2-CG 4.18Å; F332-W361 AromaticContact CE2-CD1 3.72Å; F332-H363 HydrophobicContact CD2-CB 4.44Å; F332-H363 HydrophobicContact CE2-CB 3.48Å; F332-H363 VanDerWaalsContact CE2-CB 3.48Å; F332-H363 HydrophobicContact CZ-CB 3.57Å; F332-H363 AromaticContact CZ-CD2 3.81Å; F332-H363 AromaticContact CZ-CG 3.85Å
333	V	98.9	Very high	98.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	125.8	168	179.1	0	0	0	0	108.7	F277 L316 I351 V360 W361 H363	F277-V333 HydrophobicContact CB-CG2 4.21Å; F277-V333 HydrophobicContact CD2-CG2 4.16Å; F277-V333 WeakPolarHBondContact O-CA 3.45Å; L316-V333 HydrophobicContact CD1-CG1 4.28Å; L316-V333 HydrophobicContact CD1-CG2 4.03Å; L316-V333 HydrophobicContact CD2-CG1 4.08Å; V333-I351 HydrophobicContact CG1-CG2 3.76Å; V333-V360 HydrophobicContact CG2-CB 4.49Å; V333-V360 HydrophobicContact CG2-CG1 3.77Å; V333-W361 PolarHBondContact N-O 3.16Å; V333-H363 PolarHBondContact O-N 3.22Å
334	S	98.9	Very high	98.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	107.4	169.7	-178.9	0	0	0	0	110	F277 T278 I286 H363	F277-S334 PolarHBondContact O-N 2.95Å; T278-S334 PolarHBondContact OG1-O 3.05Å; I286-S334 WeakPolarHBondContact CD1-OG 3.38Å; S334-H363 WeakPolarHBondContact CA-O 3.5Å
335	A	98.9	Very high	98.6	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	137.8	167.7	0	0	0	0	0	109.8	D346 L348 I351 F362 H363 V364 D365	A335-D346 HydrophobicContact CB-CB 4.11Å; A335-L348 HydrophobicContact CB-CD2 3.6Å; A335-I351 HydrophobicContact CB-CD1 3.73Å; A335-I351 HydrophobicContact CB-CG2 4.31Å; A335-F362 HydrophobicContact CB-CE2 3.71Å; A335-F362 HydrophobicContact CB-CZ 4.45Å; A335-H363 PolarHBondContact N-O 3.5Å; A335-V364 CarbonylContact O-C 3.51Å; A335-V364 WeakPolarHBondContact O-CA 3.21Å; A335-D365 PolarHBondContact O-N 3.5Å
336	T	98.9	Very high	98.7	Very high	4 Å²	4	19.2 Å²	19.2	3%	0.025	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	122	-177.9	-48.5	0	0	0	0	110.5	S282 T339 D346	S282-T336 WeakPolarHBondContact CB-OG1 3.39Å; T336-T339 HydrophobicContact CG2-CG2 3.82Å; T336-D346 PolarHBondContact N-OD2 2.94Å; T336-D346 WeakPolarHBondContact O-CB 3.24Å; T336-D346 PolarHBondContact O-N 3.4Å
337	A	98.8	Very high	98.7	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	10%	0.095	C	C	.	.	B	Isolated β-bridge	trans	-100	88.6	171.3	0	0	0	0	0	109	F345 V364 D365 G369 L382	A337-F345 HydrophobicContact CB-CD1 3.91Å; A337-F345 HydrophobicContact CB-CE1 4.06Å; A337-V364 HydrophobicContact CB-CG1 3.79Å; A337-D365 PolarHBondContact N-O 2.65Å; A337-G369 WeakPolarHBondContact O-CA 3.39Å; A337-G369 PolarHBondContact O-N 2.87Å; A337-L382 HydrophobicContact CB-CD2 3.71Å; A337-L382 HydrophobicContact CB-CG 4.13Å
338	G	98.6	Very high	98.7	Very high	4 Å²	4	12 Å²	12	4%	0.041	7%	0.069	C	C	.	.	S	Bend	trans	94.1	84.2	-173.9	0	0	0	0	0	111.9	A344	G338-A344 CarbonylContact C-O 3.54Å; G338-A344 WeakPolarHBondContact CA-O 3.48Å; G338-A344 PolarHBondContact N-O 3.02Å
339	T	98.8	Very high	98.8	Very high	1 Å²	1	13 Å²	13	1%	0.006	8%	0.076	C	C	.	.			trans	-62.9	151.6	175.6	60.3	0	0	0	0	111.9	H281 T336 V341 G343 A344	H281-T339 HydrophobicContact CB-CG2 4.26Å; T336-T339 HydrophobicContact CG2-CG2 3.82Å; T339-V341 PolarHBondContact O-N 3.06Å; T339-G343 WeakPolarHBondContact O-CA 3.41Å; T339-G343 PolarHBondContact O-N 3.31Å; T339-G343 PolarHBondContact OG1-N 3.5Å; T339-A344 HydrophobicContact CG2-CB 4.19Å; T339-A344 PolarHBondContact N-O 3.15Å; T339-A344 PolarHBondContact OG1-N 2.82Å
340	T	98.3	Very high	98.8	Very high	39 Å²	39	13 Å²	13	24%	0.239	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-31.2	-174	-66.7	0	0	0	0	112.9	L183 N504 R559	L183-T340 HydrophobicContact CD1-CG2 4.19Å; T340-N504 PolarHBondContact O-ND2 3.05Å; T340-N504 VanDerWaalsContact O-ND2 3.14Å; T340-R559 VanDerWaalsContact CG2-NH1 3.33Å; T340-R559 VanDerWaalsContact O-CD 3.28Å; T340-R559 WeakPolarHBondContact O-CD 3.24Å; T340-R559 PolarHBondContact O-NH1 3.4Å
341	V	98.4	Very high	98.8	Very high	28 Å²	28	12.5 Å²	12.5	17%	0.17	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-68.7	-175.5	-179.4	0	0	0	0	111.2	T339 G343 N504 C506 Q549 F557 R559	T339-V341 PolarHBondContact O-N 3.06Å; V341-G343 VanDerWaalsContact C-N 3.35Å; V341-G343 PolarHBondContact O-N 2.73Å; V341-N504 WeakPolarHBondContact O-CB 3.49Å; V341-N504 PolarHBondContact O-ND2 2.91Å; V341-C506 PolarHBondContact O-SG 3.45Å; V341-Q549 HydrophobicContact CG2-CG 4.41Å; V341-F557 HydrophobicContact CG1-CE2 3.62Å; V341-F557 HydrophobicContact CG1-CZ 3.69Å; V341-R559 WeakPolarHBondContact O-CD 3.26Å; V341-R559 WeakPolarHBondContact O-CG 3.3Å
342	Y	98.6	Very high	98.8	Very high	2 Å²	2	12.6 Å²	12.6	1%	0.008	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-14.9	-177.4	-69	-1.2	0	0	0	114	A344 V495 F496 N504 C506 K554 F557	Y342-A344 PolarHBondContact O-N 3.2Å; Y342-V495 HydrophobicContact CE1-CG1 3.75Å; Y342-V495 WeakPolarHBondContact OH-CG1 3.48Å; Y342-F496 HydrophobicContact CD1-CD1 4.02Å; Y342-F496 HydrophobicContact CD1-CE1 4Å; Y342-F496 AromaticContact CD2-CD1 3.81Å; Y342-F496 HydrophobicContact CD2-CD1 3.81Å; Y342-F496 HydrophobicContact CD2-CE1 4.04Å; Y342-F496 HydrophobicContact CD2-CG 4.34Å; Y342-F496 HydrophobicContact CE1-CD1 4.06Å; Y342-F496 HydrophobicContact CE1-CE1 4.48Å; Y342-F496 HydrophobicContact CE2-CB 4.29Å; Y342-F496 AromaticContact CE2-CD1 3.82Å; Y342-F496 HydrophobicContact CE2-CD1 3.82Å; Y342-F496 HydrophobicContact CE2-CE1 4.5Å; Y342-F496 HydrophobicContact CE2-CG 4.21Å; Y342-F496 AromaticContact CG-CD1 3.94Å; Y342-F496 HydrophobicContact CG-CD1 3.94Å; Y342-F496 AromaticContact CG-CE1 3.8Å; Y342-F496 HydrophobicContact CG-CE1 3.8Å; Y342-F496 AromaticContact CZ-CD1 3.97Å; Y342-N504 WeakPolarHBondContact O-CB 3.25Å; Y342-C506 HydrophobicContact CD1-CB 4.34Å; Y342-C506 HydrophobicContact CE1-CB 4.47Å; Y342-K554 WeakPolarHBondContact OH-CD 3.35Å; Y342-K554 WeakPolarHBondContact OH-CE 3.5Å; Y342-F557 HydrophobicContact CE1-CE2 4.33Å; Y342-F557 AromaticContact CE1-CZ 3.99Å; Y342-F557 HydrophobicContact CE1-CZ 3.99Å
343	G	98.6	Very high	98.8	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.098	C	C	.	.			trans	66.5	26.9	-170.4	0	0	0	0	0	112.5	T339 V341 F345	T339-G343 WeakPolarHBondContact O-CA 3.41Å; T339-G343 PolarHBondContact O-N 3.31Å; T339-G343 PolarHBondContact OG1-N 3.5Å; V341-G343 VanDerWaalsContact C-N 3.35Å; V341-G343 PolarHBondContact O-N 2.73Å; G343-F345 WeakPolarHBondContact O-CD2 3.4Å; G343-F345 WeakPolarHBondContact O-CE2 3.48Å
344	A	98.7	Very high	98.8	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.008	10%	0.101	C	C	.	.			trans	-75.7	149.6	-176.6	0	0	0	0	0	111.9	C308 K310 G338 T339 Y342	C308-A344 WeakPolarHBondContact O-CB 3.37Å; K310-A344 HydrophobicContact CG-CB 4.33Å; G338-A344 CarbonylContact C-O 3.54Å; G338-A344 WeakPolarHBondContact CA-O 3.48Å; G338-A344 PolarHBondContact N-O 3.02Å; T339-A344 HydrophobicContact CG2-CB 4.19Å; T339-A344 PolarHBondContact N-O 3.15Å; T339-A344 PolarHBondContact OG1-N 2.82Å; Y342-A344 PolarHBondContact O-N 3.2Å
345	F	98.9	Very high	98.8	Very high	10 Å²	10	17.3 Å²	17.3	4%	0.044	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-113	118.4	177.2	-71.6	-100.6	0	0	0	110.4	K310 A337 G343 L372 K381 L382 Q501 H502	K310-F345 WeakPolarHBondContact CD-O 3.37Å; K310-F345 WeakPolarHBondContact CG-O 3.33Å; A337-F345 HydrophobicContact CB-CD1 3.91Å; A337-F345 HydrophobicContact CB-CE1 4.06Å; G343-F345 WeakPolarHBondContact O-CD2 3.4Å; G343-F345 WeakPolarHBondContact O-CE2 3.48Å; F345-L372 HydrophobicContact CE2-CD2 4.36Å; F345-L372 HydrophobicContact CZ-CD2 3.79Å; F345-K381 HydrophobicContact CD1-CB 3.95Å; F345-K381 VanDerWaalsContact CD1-O 3.28Å; F345-K381 WeakPolarHBondContact CD1-O 3.46Å; F345-K381 HydrophobicContact CD2-CB 4.26Å; F345-K381 HydrophobicContact CD2-CD 4.49Å; F345-K381 HydrophobicContact CE1-CB 4.08Å; F345-K381 HydrophobicContact CE2-CB 4.38Å; F345-K381 HydrophobicContact CE2-CD 4.18Å; F345-K381 HydrophobicContact CG-CB 4.05Å; F345-K381 HydrophobicContact CZ-CB 4.29Å; F345-K381 HydrophobicContact CZ-CD 4.48Å; F345-L382 HydrophobicContact CD1-CD1 4.36Å; F345-L382 HydrophobicContact CD1-CG 4.14Å; F345-L382 HydrophobicContact CE1-CD1 3.73Å; F345-L382 HydrophobicContact CE1-CD2 4.49Å; F345-L382 HydrophobicContact CE1-CG 3.87Å; F345-Q501 HydrophobicContact CD2-CB 3.8Å; F345-Q501 HydrophobicContact CE2-CB 4.2Å; F345-H502 HydrophobicContact CE2-CB 4.3Å; F345-H502 AromaticContact CZ-CD2 3.83Å
346	D	98.9	Very high	98.8	Very high	3 Å²	3	23.8 Å²	23.8	2%	0.016	13%	0.13	C	C	.	.			trans	-65	147.1	175.4	-73.5	-18	0	0	0	111.2	L311 A335 T336 L348 I351	L311-D346 HydrophobicContact CB-CB 4.21Å; L311-D346 VanDerWaalsContact CB-CG 3.47Å; L311-D346 VanDerWaalsContact CB-OD1 3.27Å; L311-D346 WeakPolarHBondContact CB-OD1 3.14Å; L311-D346 PolarHBondContact N-OD1 3.04Å; A335-D346 HydrophobicContact CB-CB 4.11Å; T336-D346 PolarHBondContact N-OD2 2.94Å; T336-D346 WeakPolarHBondContact O-CB 3.24Å; T336-D346 PolarHBondContact O-N 3.4Å; D346-L348 HydrophobicContact CB-CD2 4.42Å; D346-L348 WeakPolarHBondContact O-CD2 3.34Å; D346-L348 WeakPolarHBondContact O-CG 3.47Å; D346-L348 PolarHBondContact O-N 3.24Å; D346-I351 HydrophobicContact CB-CD1 3.77Å
347	P	98.7	Very high	98.7	Very high	46 Å²	46	30.2 Å²	30.2	30%	0.299	16%	0.158	S	C	.	.			trans	-73.6	83	-178.5	30.7	-37.2	0	0	0	112.1	L311 P313 I349 A350 I351	L311-P347 WeakPolarHBondContact O-CD 3.33Å; L311-P347 WeakPolarHBondContact O-CG 3.24Å; P313-P347 HydrophobicContact CG-CB 4.45Å; P313-P347 HydrophobicContact CG-CG 3.56Å; P347-I349 VanDerWaalsContact C-N 3.35Å; P347-I349 PolarHBondContact O-N 3.03Å; P347-A350 PolarHBondContact O-N 3.26Å; P347-I351 HydrophobicContact CG-CD1 4.31Å; P347-I351 HydrophobicContact CG-CG1 4.48Å; P347-I351 WeakPolarHBondContact O-CG1 3.29Å; P347-I351 PolarHBondContact O-N 3.17Å; P347-I351 VanDerWaalsContact O-N 3.1Å
348	L	98.9	Very high	98.7	Very high	5 Å²	5	32 Å²	32	3%	0.026	17%	0.165	C	C	.	.	H	α-helix	trans	-58.5	-38.4	-169.2	-55	-173.1	0	0	0	114.2	A335 D346 I351 S352 F362 V364 L382 V385	A335-L348 HydrophobicContact CB-CD2 3.6Å; D346-L348 HydrophobicContact CB-CD2 4.42Å; D346-L348 WeakPolarHBondContact O-CD2 3.34Å; D346-L348 WeakPolarHBondContact O-CG 3.47Å; D346-L348 PolarHBondContact O-N 3.24Å; L348-I351 PolarHBondContact O-N 3.13Å; L348-S352 WeakPolarHBondContact O-CB 3.31Å; L348-S352 PolarHBondContact O-N 3.39Å; L348-F362 HydrophobicContact CB-CZ 4.09Å; L348-F362 HydrophobicContact CD2-CZ 4.22Å; L348-V364 HydrophobicContact CD1-CG1 4.15Å; L348-V364 HydrophobicContact CD1-CG2 4.17Å; L348-V364 HydrophobicContact CD2-CG1 4.34Å; L348-V364 HydrophobicContact CD2-CG2 4.1Å; L348-L382 HydrophobicContact CD1-CB 4.49Å; L348-V385 HydrophobicContact CD1-CB 3.97Å
349	I	98.9	Very high	98.7	Very high	84 Å²	84	38.1 Å²	38.1	43%	0.431	20%	0.197	S	C	.	.	H	α-helix	trans	-59.3	-54.2	178.4	-64.2	177	0	0	0	110.7	P347 I351 S352 D353 D383 R387	P347-I349 VanDerWaalsContact C-N 3.35Å; P347-I349 PolarHBondContact O-N 3.03Å; I349-I351 PolarHBondContact O-N 2.81Å; I349-S352 WeakPolarHBondContact O-CB 3.39Å; I349-S352 PolarHBondContact O-N 2.94Å; I349-D353 PolarHBondContact O-N 3.03Å; I349-D383 HydrophobicContact CD1-CB 4.38Å; I349-R387 PolarHBondContact O-NH1 3.13Å
350	A	98.9	Very high	98.7	Very high	35 Å²	35	38.5 Å²	38.5	29%	0.289	20%	0.199	S	C	.	.	H	α-helix	trans	-64	-41.1	-178.5	0	0	0	0	0	111.8	P313 P347 S352 D353 I354	P313-A350 HydrophobicContact CB-CB 4.08Å; P313-A350 HydrophobicContact CG-CB 3.81Å; P347-A350 PolarHBondContact O-N 3.26Å; A350-S352 VanDerWaalsContact C-N 3.33Å; A350-S352 PolarHBondContact O-N 3.31Å; A350-D353 PolarHBondContact O-N 3.26Å; A350-I354 WeakPolarHBondContact O-CG1 3.19Å; A350-I354 PolarHBondContact O-N 3.47Å; A350-I354 VanDerWaalsContact O-N 3.16Å
351	I	98.9	Very high	98.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.7	-43.2	175.8	-65.9	168.1	0	0	0	110.5	L311 L316 V333 A335 D346 P347 L348 I349 D353 I354 C355 F362	L311-I351 HydrophobicContact CB-CD1 4.4Å; L311-I351 HydrophobicContact CD1-CD1 4.44Å; L311-I351 HydrophobicContact CD2-CD1 3.78Å; L311-I351 HydrophobicContact CD2-CG1 3.91Å; L311-I351 HydrophobicContact CG-CD1 4.44Å; L316-I351 HydrophobicContact CD2-CB 4.42Å; L316-I351 HydrophobicContact CD2-CG1 4.25Å; L316-I351 HydrophobicContact CD2-CG2 3.88Å; V333-I351 HydrophobicContact CG1-CG2 3.76Å; A335-I351 HydrophobicContact CB-CD1 3.73Å; A335-I351 HydrophobicContact CB-CG2 4.31Å; D346-I351 HydrophobicContact CB-CD1 3.77Å; P347-I351 HydrophobicContact CG-CD1 4.31Å; P347-I351 HydrophobicContact CG-CG1 4.48Å; P347-I351 WeakPolarHBondContact O-CG1 3.29Å; P347-I351 PolarHBondContact O-N 3.17Å; P347-I351 VanDerWaalsContact O-N 3.1Å; L348-I351 PolarHBondContact O-N 3.13Å; I349-I351 PolarHBondContact O-N 2.81Å; I351-D353 VanDerWaalsContact C-N 3.34Å; I351-D353 PolarHBondContact O-N 3.39Å; I351-I354 PolarHBondContact O-N 3.49Å; I351-C355 PolarHBondContact O-N 3.3Å; I351-C355 PolarHBondContact O-SG 3.11Å; I351-F362 HydrophobicContact CB-CE2 4.26Å; I351-F362 HydrophobicContact CG2-CD2 3.91Å; I351-F362 HydrophobicContact CG2-CE2 3.62Å; I351-F362 HydrophobicContact CG2-CZ 4.48Å
352	S	98.9	Very high	98.8	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.014	18%	0.183	C	C	.	.	H	α-helix	trans	-64.2	-37.2	177.6	-176.7	0	0	0	0	112.3	L348 I349 A350 I354 C355 K356 R387	L348-S352 WeakPolarHBondContact O-CB 3.31Å; L348-S352 PolarHBondContact O-N 3.39Å; I349-S352 WeakPolarHBondContact O-CB 3.39Å; I349-S352 PolarHBondContact O-N 2.94Å; A350-S352 VanDerWaalsContact C-N 3.33Å; A350-S352 PolarHBondContact O-N 3.31Å; S352-I354 VanDerWaalsContact C-N 3.34Å; S352-C355 PolarHBondContact O-N 3.43Å; S352-K356 WeakPolarHBondContact O-CB 3.46Å; S352-K356 WeakPolarHBondContact O-CG 3.31Å; S352-K356 PolarHBondContact O-N 3.41Å; S352-R387 VanDerWaalsContact C-NH2 3.33Å; S352-R387 VanDerWaalsContact CB-CZ 3.45Å; S352-R387 VanDerWaalsContact CB-NE 3.3Å; S352-R387 VanDerWaalsContact CB-NH2 3.35Å; S352-R387 WeakPolarHBondContact OG-CB 3.44Å; S352-R387 VanDerWaalsContact OG-CZ 3.25Å; S352-R387 PolarHBondContact OG-NE 3.1Å; S352-R387 PolarHBondContact OG-NH2 3.31Å
353	D	98.9	Very high	98.8	Very high	82 Å²	82	36 Å²	36	44%	0.439	18%	0.182	S	C	.	.	H	α-helix	trans	-61.1	-44	175	-68.1	-28.7	0	0	0	111.2	I349 A350 I351 K356 K357 R387	I349-D353 PolarHBondContact O-N 3.03Å; A350-D353 PolarHBondContact O-N 3.26Å; I351-D353 VanDerWaalsContact C-N 3.34Å; I351-D353 PolarHBondContact O-N 3.39Å; D353-K356 PolarHBondContact O-N 2.94Å; D353-K357 WeakPolarHBondContact O-CB 3.19Å; D353-K357 PolarHBondContact O-N 2.76Å; D353-R387 IonicContact OD1-CZ 2.64Å; D353-R387 IonicContact OD1-NH1 2.66Å; D353-R387 PolarHBondContact OD1-NH1 3.04Å; D353-R387 IonicContact OD1-NH2 3.33Å; D353-R387 PolarHBondContact OD1-NH2 3.17Å; D353-R387 IonicContact OD2-NH1 2.74Å
354	I	98.9	Very high	98.8	Very high	14 Å²	14	36 Å²	36	7%	0.072	18%	0.182	C	C	.	.	H	α-helix	trans	-63.1	-48.1	175	-65.1	165.4	0	0	0	110.6	P313 L316 E317 I320 A350 I351 S352 K356 K357 Y358	P313-I354 HydrophobicContact CB-CD1 3.76Å; P313-I354 VanDerWaalsContact O-CD1 3.25Å; P313-I354 WeakPolarHBondContact O-CD1 3.39Å; L316-I354 HydrophobicContact CD2-CB 4.48Å; L316-I354 HydrophobicContact CD2-CD1 4.22Å; L316-I354 HydrophobicContact CD2-CG2 4.18Å; L316-I354 HydrophobicContact CG-CG2 4.21Å; E317-I354 HydrophobicContact CB-CD1 4.12Å; E317-I354 HydrophobicContact CB-CG1 4.39Å; E317-I354 HydrophobicContact CB-CG2 4.29Å; I320-I354 HydrophobicContact CD1-CG2 3.66Å; A350-I354 WeakPolarHBondContact O-CG1 3.19Å; A350-I354 PolarHBondContact O-N 3.47Å; A350-I354 VanDerWaalsContact O-N 3.16Å; I351-I354 PolarHBondContact O-N 3.49Å; S352-I354 VanDerWaalsContact C-N 3.34Å; I354-K356 VanDerWaalsContact C-N 3.31Å; I354-K356 PolarHBondContact O-N 3.17Å; I354-K357 PolarHBondContact O-N 3.36Å; I354-K357 VanDerWaalsContact O-N 3.17Å; I354-Y358 HydrophobicContact CG2-CD2 3.79Å; I354-Y358 HydrophobicContact CG2-CE2 4.02Å; I354-Y358 VanDerWaalsContact O-CD2 3.25Å; I354-Y358 WeakPolarHBondContact O-CD2 3.39Å; I354-Y358 PolarHBondContact O-N 2.85Å; I354-Y358 VanDerWaalsContact O-N 3.07Å
355	C	98.9	Very high	98.8	Very high	4 Å²	4	36.3 Å²	36.3	3%	0.027	18%	0.184	C	C	.	.	H	α-helix	trans	-58.6	-42.7	179.8	-67.9	0	0	0	0	111.7	I351 S352 N359 V360 F362	I351-C355 PolarHBondContact O-N 3.3Å; I351-C355 PolarHBondContact O-SG 3.11Å; S352-C355 PolarHBondContact O-N 3.43Å; C355-N359 WeakPolarHBondContact O-CA 3.34Å; C355-N359 PolarHBondContact O-N 2.88Å; C355-V360 WeakPolarHBondContact CB-O 3.19Å; C355-V360 PolarHBondContact O-N 3.04Å; C355-F362 HydrophobicContact CB-CB 3.88Å; C355-F362 HydrophobicContact CB-CG 4.48Å
356	K	98.7	Very high	98.8	Very high	135 Å²	135	35.9 Å²	35.9	59%	0.587	18%	0.182	S	C	*	.	H	α-helix	trans	-63.5	-46.9	174.5	-74.1	177.1	-177.2	173.4	0	112	S352 D353 I354 Y358 N359 R387	S352-K356 WeakPolarHBondContact O-CB 3.46Å; S352-K356 WeakPolarHBondContact O-CG 3.31Å; S352-K356 PolarHBondContact O-N 3.41Å; D353-K356 PolarHBondContact O-N 2.94Å; I354-K356 VanDerWaalsContact C-N 3.31Å; I354-K356 PolarHBondContact O-N 3.17Å; K356-Y358 VanDerWaalsContact C-N 3.25Å; K356-Y358 PolarHBondContact O-N 2.64Å; K356-N359 PolarHBondContact O-N 2.91Å; K356-R387 VanDerWaalsContact NZ-NH2 3.16Å
357	K	98.8	Very high	98.8	Very high	139 Å²	139	35.9 Å²	35.9	60%	0.604	18%	0.183	S	C	*	.	H	α-helix	trans	-56.8	-38.2	-179.8	179.1	178.2	175.6	-175.7	0	112.6	E317 D353 I354	E317-K357 IonicContact OE1-NZ 2.89Å; E317-K357 PolarHBondContact OE1-NZ 3.26Å; D353-K357 WeakPolarHBondContact O-CB 3.19Å; D353-K357 PolarHBondContact O-N 2.76Å; I354-K357 PolarHBondContact O-N 3.36Å; I354-K357 VanDerWaalsContact O-N 3.17Å
358	Y	98.7	Very high	98.8	Very high	39 Å²	39	33.9 Å²	33.9	15%	0.153	17%	0.169	C	C	.	.	H	α-helix	trans	-104.6	5.4	-176.1	-62.5	-70.5	0	0	0	114.5	E317 I320 L321 I354 K356	E317-Y358 HydrophobicContact CG-CE2 3.79Å; E317-Y358 VanDerWaalsContact OE1-CE2 3.31Å; E317-Y358 WeakPolarHBondContact OE1-CE2 3.2Å; E317-Y358 PolarHBondContact OE1-OH 3.32Å; I320-Y358 HydrophobicContact CD1-CD2 4.37Å; I320-Y358 HydrophobicContact CG2-CD1 4.12Å; I320-Y358 HydrophobicContact CG2-CD2 4Å; I320-Y358 HydrophobicContact CG2-CG 3.77Å; L321-Y358 HydrophobicContact CD2-CE1 3.78Å; L321-Y358 HydrophobicContact CG-CE1 4.5Å; I354-Y358 HydrophobicContact CG2-CD2 3.79Å; I354-Y358 HydrophobicContact CG2-CE2 4.02Å; I354-Y358 VanDerWaalsContact O-CD2 3.25Å; I354-Y358 WeakPolarHBondContact O-CD2 3.39Å; I354-Y358 PolarHBondContact O-N 2.85Å; I354-Y358 VanDerWaalsContact O-N 3.07Å; K356-Y358 VanDerWaalsContact C-N 3.25Å; K356-Y358 PolarHBondContact O-N 2.64Å
359	N	98.4	Very high	98.8	Very high	132 Å²	132	33.6 Å²	33.6	71%	0.706	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	53	52.8	-176.5	-168.5	41.3	0	0	0	113.3	C355 K356	C355-N359 WeakPolarHBondContact O-CA 3.34Å; C355-N359 PolarHBondContact O-N 2.88Å; K356-N359 PolarHBondContact O-N 2.91Å
360	V	98.8	Very high	98.8	Very high	8 Å²	8	29.7 Å²	29.7	5%	0.048	15%	0.148	C	C	.	.			trans	-111.7	139.4	179.6	-171.3	0	0	0	0	109.1	P330 F332 V333 C355 F362	P330-V360 HydrophobicContact CB-CG2 3.85Å; F332-V360 VanDerWaalsContact N-CG1 3.3Å; V333-V360 HydrophobicContact CG2-CB 4.49Å; V333-V360 HydrophobicContact CG2-CG1 3.77Å; C355-V360 WeakPolarHBondContact CB-O 3.19Å; C355-V360 PolarHBondContact O-N 3.04Å; V360-F362 PolarHBondContact O-N 3.3Å
361	W	98.9	Very high	98.8	Very high	16 Å²	16	28 Å²	28	6%	0.061	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	128.1	178.3	-178	-79.4	0	0	0	111	A255 K258 F331 F332 V333 N389 S390 V410 L415	A255-W361 HydrophobicContact CB-CB 3.55Å; A255-W361 HydrophobicContact CB-CD2 3.72Å; A255-W361 HydrophobicContact CB-CE3 4.22Å; A255-W361 HydrophobicContact CB-CG 3.42Å; A255-W361 VanDerWaalsContact CB-CG 3.42Å; K258-W361 HydrophobicContact CB-CZ3 4.45Å; K258-W361 HydrophobicContact CD-CE3 4.17Å; K258-W361 HydrophobicContact CD-CZ3 3.69Å; F331-W361 WeakPolarHBondContact O-CB 3.38Å; F331-W361 PolarHBondContact O-N 2.89Å; F332-W361 HydrophobicContact CD2-CB 4.33Å; F332-W361 AromaticContact CD2-CD1 3.57Å; F332-W361 HydrophobicContact CD2-CG 4.18Å; F332-W361 AromaticContact CE2-CD1 3.72Å; V333-W361 PolarHBondContact N-O 3.16Å; W361-N389 HydrophobicContact CD2-CB 3.52Å; W361-N389 HydrophobicContact CE3-CB 3.84Å; W361-N389 HydrophobicContact CG-CB 4.12Å; W361-N389 HydrophobicContact CH2-CB 3.76Å; W361-N389 HydrophobicContact CZ2-CB 3.44Å; W361-N389 VanDerWaalsContact CZ2-CB 3.44Å; W361-N389 HydrophobicContact CZ3-CB 3.94Å; W361-S390 PolarHBondContact NE1-OG 2.97Å; W361-V410 HydrophobicContact CH2-CG1 4.15Å; W361-V410 HydrophobicContact CZ2-CG1 4.43Å; W361-L415 HydrophobicContact CH2-CD2 3.56Å; W361-L415 HydrophobicContact CZ3-CD2 3.74Å
362	F	98.9	Very high	98.8	Very high	2 Å²	2	28 Å²	28	1%	0.009	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	107.5	178.3	179.3	-140.4	0	0	0	111	A335 L348 I351 C355 V360 V364 A388 N389 S390	A335-F362 HydrophobicContact CB-CE2 3.71Å; A335-F362 HydrophobicContact CB-CZ 4.45Å; L348-F362 HydrophobicContact CB-CZ 4.09Å; L348-F362 HydrophobicContact CD2-CZ 4.22Å; I351-F362 HydrophobicContact CB-CE2 4.26Å; I351-F362 HydrophobicContact CG2-CD2 3.91Å; I351-F362 HydrophobicContact CG2-CE2 3.62Å; I351-F362 HydrophobicContact CG2-CZ 4.48Å; C355-F362 HydrophobicContact CB-CB 3.88Å; C355-F362 HydrophobicContact CB-CG 4.48Å; V360-F362 PolarHBondContact O-N 3.3Å; F362-V364 HydrophobicContact CE1-CG2 4.07Å; F362-V364 HydrophobicContact CE2-CG2 3.95Å; F362-V364 HydrophobicContact CZ-CG2 3.56Å; F362-A388 HydrophobicContact CD1-CB 4.1Å; F362-A388 HydrophobicContact CE1-CB 4.12Å; F362-N389 PolarHBondContact N-OD1 2.86Å; F362-N389 WeakPolarHBondContact O-CB 3.15Å; F362-N389 PolarHBondContact O-N 3.47Å; F362-S390 PolarHBondContact O-N 3.03Å
363	H	98.9	Very high	98.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	138.9	173.5	177.2	61.9	0	0	0	111.1	N248 A251 F332 V333 S334 A335 S390 T392	N248-H363 PolarHBondContact OD1-NE2 3.29Å; A251-H363 HydrophobicContact CB-CB 4.46Å; A251-H363 WeakPolarHBondContact CB-ND1 3.39Å; F332-H363 HydrophobicContact CD2-CB 4.44Å; F332-H363 HydrophobicContact CE2-CB 3.48Å; F332-H363 VanDerWaalsContact CE2-CB 3.48Å; F332-H363 HydrophobicContact CZ-CB 3.57Å; F332-H363 AromaticContact CZ-CD2 3.81Å; F332-H363 AromaticContact CZ-CG 3.85Å; V333-H363 PolarHBondContact O-N 3.22Å; S334-H363 WeakPolarHBondContact CA-O 3.5Å; A335-H363 PolarHBondContact N-O 3.5Å; H363-S390 WeakPolarHBondContact CA-O 3.17Å; H363-S390 PolarHBondContact ND1-O 2.93Å; H363-S390 VanDerWaalsContact ND1-O 3.14Å; H363-S390 PolarHBondContact ND1-OG 3.5Å; H363-T392 PolarHBondContact CE1-N 3.4Å; H363-T392 PolarHBondContact CE1-OG1 3.31Å; H363-T392 VanDerWaalsContact CE1-OG1 3.26Å; H363-T392 PolarHBondContact NE2-OG1 3.01Å
364	V	99	Very high	98.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	112.2	169.8	179.9	0	0	0	0	109.5	A335 A337 L348 F362 G366 V385 A388 S390 V391 T392	A335-V364 CarbonylContact O-C 3.51Å; A335-V364 WeakPolarHBondContact O-CA 3.21Å; A337-V364 HydrophobicContact CB-CG1 3.79Å; L348-V364 HydrophobicContact CD1-CG1 4.15Å; L348-V364 HydrophobicContact CD1-CG2 4.17Å; L348-V364 HydrophobicContact CD2-CG1 4.34Å; L348-V364 HydrophobicContact CD2-CG2 4.1Å; F362-V364 HydrophobicContact CE1-CG2 4.07Å; F362-V364 HydrophobicContact CE2-CG2 3.95Å; F362-V364 HydrophobicContact CZ-CG2 3.56Å; V364-G366 VanDerWaalsContact C-N 3.34Å; V364-G366 PolarHBondContact O-N 3.15Å; V364-G366 VanDerWaalsContact O-N 3.08Å; V364-V385 HydrophobicContact CB-CG2 4.35Å; V364-V385 HydrophobicContact CG1-CG2 4.22Å; V364-V385 HydrophobicContact CG2-CG2 4.36Å; V364-A388 HydrophobicContact CB-CB 4.43Å; V364-A388 HydrophobicContact CG2-CB 3.75Å; V364-S390 PolarHBondContact N-O 3.22Å; V364-V391 HydrophobicContact CB-CG2 4.34Å; V364-V391 WeakPolarHBondContact O-CA 3.15Å; V364-T392 PolarHBondContact O-N 2.53Å
365	D	98.9	Very high	98.8	Very high	6 Å²	6	24 Å²	24	3%	0.032	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	87.8	166.5	-176	-4.3	0	0	0	108.9	N248 A335 A337 A367	N248-D365 PolarHBondContact ND2-OD2 3.04Å; A335-D365 PolarHBondContact O-N 3.5Å; A337-D365 PolarHBondContact N-O 2.65Å; D365-A367 VanDerWaalsContact C-N 3.34Å; D365-A367 WeakPolarHBondContact OD1-CB 3.49Å; D365-A367 PolarHBondContact OD1-N 2.73Å
366	G	98.8	Very high	98.8	Very high	1 Å²	1	32 Å²	32	1%	0.01	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	25	170.8	0	0	0	0	0	112.4	V364 W368 G370 T392	V364-G366 VanDerWaalsContact C-N 3.34Å; V364-G366 PolarHBondContact O-N 3.15Å; V364-G366 VanDerWaalsContact O-N 3.08Å; G366-W368 PolarHBondContact O-N 2.9Å; G366-W368 VanDerWaalsContact O-N 3.13Å; G366-G370 WeakPolarHBondContact O-CA 3.31Å; G366-G370 PolarHBondContact O-N 3.11Å; G366-T392 CarbonylContact C-O 3.41Å; G366-T392 WeakPolarHBondContact CA-O 3.34Å; G366-T392 PolarHBondContact N-O 3.48Å
367	A	98.9	Very high	98.8	Very high	4 Å²	4	32.1 Å²	32.1	3%	0.033	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-40.6	-177.2	0	0	0	0	0	111.4	D365 T392 N394 K397	D365-A367 VanDerWaalsContact C-N 3.34Å; D365-A367 WeakPolarHBondContact OD1-CB 3.49Å; D365-A367 PolarHBondContact OD1-N 2.73Å; A367-T392 HydrophobicContact CB-CG2 3.85Å; A367-T392 PolarHBondContact N-O 3.39Å; A367-N394 WeakPolarHBondContact O-CB 3.48Å; A367-N394 PolarHBondContact O-N 2.67Å; A367-K397 WeakPolarHBondContact O-CD 3.29Å
368	W	98.8	Very high	98.8	Very high	3 Å²	3	26.3 Å²	26.3	1%	0.011	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-62.9	176.5	177.6	-140.5	0	0	0	112.5	L183 G366 G370 K397 M398 H502 T503 N504	L183-W368 HydrophobicContact CB-CD2 4.49Å; L183-W368 HydrophobicContact CB-CE3 4.18Å; L183-W368 HydrophobicContact CB-CH2 4.39Å; L183-W368 HydrophobicContact CB-CZ3 4.12Å; L183-W368 HydrophobicContact CD1-CB 4.47Å; L183-W368 HydrophobicContact CD1-CD2 4.33Å; L183-W368 HydrophobicContact CD1-CG 4.27Å; L183-W368 HydrophobicContact CD2-CD2 3.95Å; L183-W368 HydrophobicContact CD2-CE3 4.41Å; L183-W368 HydrophobicContact CD2-CG 4.4Å; L183-W368 HydrophobicContact CD2-CH2 4.15Å; L183-W368 HydrophobicContact CD2-CZ2 3.68Å; L183-W368 HydrophobicContact CD2-CZ3 4.49Å; L183-W368 WeakPolarHBondContact O-CZ3 3.37Å; G366-W368 PolarHBondContact O-N 2.9Å; G366-W368 VanDerWaalsContact O-N 3.13Å; W368-G370 VanDerWaalsContact C-N 3.35Å; W368-G370 PolarHBondContact O-N 3.26Å; W368-K397 HydrophobicContact CB-CD 4.26Å; W368-K397 HydrophobicContact CE3-CB 3.51Å; W368-K397 HydrophobicContact CE3-CD 3.93Å; W368-K397 HydrophobicContact CE3-CG 4.35Å; W368-K397 HydrophobicContact CZ3-CB 3.67Å; W368-M398 HydrophobicContact CE3-CB 4.07Å; W368-M398 HydrophobicContact CH2-CB 4.41Å; W368-M398 HydrophobicContact CH2-SD 3.73Å; W368-M398 HydrophobicContact CZ2-SD 4.47Å; W368-M398 HydrophobicContact CZ3-CB 3.68Å; W368-M398 HydrophobicContact CZ3-CG 4.39Å; W368-M398 HydrophobicContact CZ3-SD 3.96Å; W368-H502 AromaticContact CD2-CE1 3.68Å; W368-H502 AromaticContact CD2-NE2 3.89Å; W368-H502 AromaticContact CE2-CE1 3.11Å; W368-H502 AromaticContact CE2-CG 3.9Å; W368-H502 AromaticContact CE2-ND1 3.23Å; W368-H502 AromaticContact CE2-NE2 3.67Å; W368-H502 AromaticContact CH2-CE1 3.68Å; W368-H502 AromaticContact CZ2-CE1 3.15Å; W368-H502 WeakPolarHBondContact CZ2-CE1 3.43Å; W368-H502 AromaticContact CZ2-ND1 3.2Å; W368-H502 WeakPolarHBondContact CZ2-ND1 3.35Å; W368-H502 AromaticContact NE1-CD2 3.74Å; W368-H502 AromaticContact NE1-CE1 3.49Å; W368-H502 PolarHBondContact NE1-CE1 3.38Å; W368-H502 AromaticContact NE1-CG 3.46Å; W368-H502 AromaticContact NE1-ND1 3.26Å; W368-H502 PolarHBondContact NE1-ND1 3.19Å; W368-H502 AromaticContact NE1-NE2 3.77Å; W368-T503 VanDerWaalsContact CZ2-OG1 3.31Å; W368-T503 WeakPolarHBondContact CZ2-OG1 3.21Å; W368-N504 PolarHBondContact NE1-OD1 2.8Å
369	G	98.7	Very high	98.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-79.9	-7.3	-172.4	0	0	0	0	0	115.4	A337 S371 L372	A337-G369 WeakPolarHBondContact O-CA 3.39Å; A337-G369 PolarHBondContact O-N 2.87Å; G369-S371 PolarHBondContact O-N 3.45Å; G369-S371 VanDerWaalsContact O-N 3.17Å; G369-L372 WeakPolarHBondContact O-CB 3.4Å; G369-L372 PolarHBondContact O-N 3.37Å
370	G	98.8	Very high	98.8	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.01	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-57.2	-32.5	179.8	0	0	0	0	0	113	G366 W368 L372 L373	G366-G370 WeakPolarHBondContact O-CA 3.31Å; G366-G370 PolarHBondContact O-N 3.11Å; W368-G370 VanDerWaalsContact C-N 3.35Å; W368-G370 PolarHBondContact O-N 3.26Å; G370-L372 PolarHBondContact O-N 3.25Å; G370-L373 VanDerWaalsContact O-CB 3.31Å; G370-L373 WeakPolarHBondContact O-CB 3.15Å; G370-L373 VanDerWaalsContact O-CG 3.29Å; G370-L373 WeakPolarHBondContact O-CG 3.2Å; G370-L373 PolarHBondContact O-N 3.3Å; G370-L373 VanDerWaalsContact O-N 3.09Å
371	S	98.7	Very high	98.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-64.1	-22	177.5	-58	0	0	0	0	113.6	G369 L373 M374 W393 M399 I472	G369-S371 PolarHBondContact O-N 3.45Å; G369-S371 VanDerWaalsContact O-N 3.17Å; S371-L373 PolarHBondContact O-N 3.27Å; S371-L373 VanDerWaalsContact O-N 3.1Å; S371-M374 VanDerWaalsContact O-CB 3.26Å; S371-M374 WeakPolarHBondContact O-CB 3.31Å; S371-M374 VanDerWaalsContact O-CG 3.24Å; S371-M374 WeakPolarHBondContact O-CG 3.43Å; S371-M374 PolarHBondContact O-N 3.03Å; S371-W393 PolarHBondContact OG-NE1 3.33Å; S371-M399 WeakPolarHBondContact OG-CG 3.44Å; S371-I472 VanDerWaalsContact O-CD1 3.25Å; S371-I472 WeakPolarHBondContact O-CD1 3.49Å
372	L	98.8	Very high	98.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-63.7	-15.4	175.3	-89.5	58.2	0	0	0	112.7	F345 G369 G370 M374 S375 H378 R379 K381 L382 M398 I472 L476 H502	F345-L372 HydrophobicContact CE2-CD2 4.36Å; F345-L372 HydrophobicContact CZ-CD2 3.79Å; G369-L372 WeakPolarHBondContact O-CB 3.4Å; G369-L372 PolarHBondContact O-N 3.37Å; G370-L372 PolarHBondContact O-N 3.25Å; L372-M374 PolarHBondContact O-N 2.7Å; L372-S375 PolarHBondContact O-N 2.71Å; L372-H378 HydrophobicContact CD2-CB 4.17Å; L372-H378 HydrophobicContact CG-CB 4.17Å; L372-R379 WeakPolarHBondContact O-CA 3.49Å; L372-R379 PolarHBondContact O-N 3.2Å; L372-K381 HydrophobicContact CD2-CD 3.84Å; L372-L382 HydrophobicContact CB-CD1 3.86Å; L372-M398 HydrophobicContact CD1-CG 4.4Å; L372-I472 HydrophobicContact CD1-CG2 3.99Å; L372-I472 HydrophobicContact CG-CG2 4.31Å; L372-L476 HydrophobicContact CD1-CD1 4.32Å; L372-L476 HydrophobicContact CD2-CD1 4.12Å; L372-L476 HydrophobicContact CG-CD1 4.05Å; L372-H502 VanDerWaalsContact CD1-NE2 3.29Å; L372-H502 WeakPolarHBondContact CD1-NE2 3.49Å
373	L	98.9	Very high	98.7	Very high	7 Å²	7	34.9 Å²	34.9	4%	0.037	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-61	-21.8	169.8	-66.7	171	0	0	0	113.4	I228 I229 G370 S371 S375 R379 L382 V385	I228-L373 HydrophobicContact CG2-CB 3.52Å; I228-L373 HydrophobicContact CG2-CD1 4.4Å; I229-L373 HydrophobicContact CG1-CD1 3.9Å; G370-L373 VanDerWaalsContact O-CB 3.31Å; G370-L373 WeakPolarHBondContact O-CB 3.15Å; G370-L373 VanDerWaalsContact O-CG 3.29Å; G370-L373 WeakPolarHBondContact O-CG 3.2Å; G370-L373 PolarHBondContact O-N 3.3Å; G370-L373 VanDerWaalsContact O-N 3.09Å; S371-L373 PolarHBondContact O-N 3.27Å; S371-L373 VanDerWaalsContact O-N 3.1Å; L373-S375 VanDerWaalsContact C-N 3.29Å; L373-R379 HydrophobicContact CD2-CB 4.44Å; L373-L382 HydrophobicContact CD1-CD2 4.35Å; L373-L382 HydrophobicContact CD2-CB 3.91Å; L373-L382 HydrophobicContact CD2-CD1 4.37Å; L373-L382 HydrophobicContact CD2-CD2 4.31Å; L373-L382 HydrophobicContact CD2-CG 4.42Å; L373-L382 HydrophobicContact CG-CD1 4.4Å; L373-L382 HydrophobicContact CG-CD2 4.06Å; L373-V385 HydrophobicContact CD2-CG1 4.09Å
374	M	98.6	Very high	98.7	Very high	6 Å²	6	34.9 Å²	34.9	3%	0.03	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-72.4	-24	175	-56.8	-68.6	-87.7	0	0	112.1	I228 S371 L372 W393 M399 W460 T465 F468 E469 I472	I228-M374 HydrophobicContact CD1-SD 3.77Å; S371-M374 VanDerWaalsContact O-CB 3.26Å; S371-M374 WeakPolarHBondContact O-CB 3.31Å; S371-M374 VanDerWaalsContact O-CG 3.24Å; S371-M374 WeakPolarHBondContact O-CG 3.43Å; S371-M374 PolarHBondContact O-N 3.03Å; L372-M374 PolarHBondContact O-N 2.7Å; M374-W393 HydrophobicContact CG-CH2 4.21Å; M374-W393 HydrophobicContact CG-CZ2 3.94Å; M374-W393 HydrophobicContact SD-CH2 3.84Å; M374-W393 HydrophobicContact SD-CZ2 4.07Å; M374-M399 HydrophobicContact CE-CE 3.87Å; M374-M399 HydrophobicContact CG-SD 4.44Å; M374-W460 HydrophobicContact CE-CD2 4.47Å; M374-W460 HydrophobicContact CE-CH2 4.06Å; M374-W460 HydrophobicContact CE-CZ2 3.49Å; M374-W460 VanDerWaalsContact CE-CZ2 3.49Å; M374-W460 HydrophobicContact SD-CH2 4.2Å; M374-W460 HydrophobicContact SD-CZ2 3.92Å; M374-T465 HydrophobicContact CE-CG2 4.1Å; M374-T465 HydrophobicContact SD-CG2 4.3Å; M374-F468 HydrophobicContact CB-CB 4.48Å; M374-F468 HydrophobicContact CE-CB 3.65Å; M374-F468 HydrophobicContact CE-CD2 3.45Å; M374-F468 VanDerWaalsContact CE-CD2 3.45Å; M374-F468 HydrophobicContact CE-CE2 4.33Å; M374-F468 HydrophobicContact CE-CG 3.85Å; M374-E469 WeakPolarHBondContact O-CB 3.33Å; M374-I472 HydrophobicContact CB-CD1 3.72Å; M374-I472 HydrophobicContact CG-CD1 4.14Å
375	S	98.7	Very high	98.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	15%	0.145	C	C	.	.			trans	-94.6	122	-178.4	167.1	0	0	0	0	111.6	L372 L373 R377 H378 R379 D473	L372-S375 PolarHBondContact O-N 2.71Å; L373-S375 VanDerWaalsContact C-N 3.29Å; S375-R377 PolarHBondContact O-N 3.13Å; S375-R377 PolarHBondContact OG-N 3.43Å; S375-H378 PolarHBondContact O-N 2.79Å; S375-H378 PolarHBondContact OG-CD2 3.02Å; S375-H378 PolarHBondContact OG-N 3.45Å; S375-H378 VanDerWaalsContact OG-N 3.15Å; S375-R379 WeakPolarHBondContact O-CB 3.24Å; S375-R379 WeakPolarHBondContact O-CG 3.25Å; S375-R379 PolarHBondContact O-N 2.92Å; S375-D473 WeakPolarHBondContact CB-OD1 3.21Å; S375-D473 PolarHBondContact OG-OD1 3.48Å
376	R	98.6	Very high	98.7	Very high	172 Å²	172	38.3 Å²	38.3	65%	0.649	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-30.7	173.5	-73	174.1	-100.6	-147.1	-5.5	112.5	E469	R376-E469 WeakPolarHBondContact CB-OE1 3.19Å; R376-E469 VanDerWaalsContact CG-OE1 3.25Å; R376-E469 WeakPolarHBondContact CG-OE1 3.35Å; R376-E469 IonicContact CZ-OE1 2.9Å; R376-E469 IonicContact CZ-OE2 3.86Å; R376-E469 PolarHBondContact N-OE1 3.3Å; R376-E469 IonicContact NE-OE1 3.74Å; R376-E469 PolarHBondContact NE-OE1 2.83Å; R376-E469 IonicContact NE-OE2 3.92Å; R376-E469 PolarHBondContact NE-OE2 2.69Å; R376-E469 VanDerWaalsContact NE-OE2 3.16Å; R376-E469 IonicContact NH2-OE2 3.64Å; R376-E469 PolarHBondContact NH2-OE2 2.95Å
377	R	98.4	Very high	98.7	Very high	138 Å²	138	40.2 Å²	40.2	52%	0.521	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-29.1	179.1	-175.6	178	169.9	-171.9	-8.1	112.8	S375 W380 E480	S375-R377 PolarHBondContact O-N 3.13Å; S375-R377 PolarHBondContact OG-N 3.43Å; R377-W380 PolarHBondContact O-NE1 3.3Å; R377-W380 VanDerWaalsContact O-NE1 3.07Å; R377-E480 IonicContact NH2-OE2 2.88Å
378	H	98.6	Very high	98.7	Very high	18 Å²	18	40 Å²	40	8%	0.083	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.4	-11.4	-169.2	-62.1	-62.2	0	0	0	115.5	L372 S375 W380 K381 D473 L476	L372-H378 HydrophobicContact CD2-CB 4.17Å; L372-H378 HydrophobicContact CG-CB 4.17Å; S375-H378 PolarHBondContact O-N 2.79Å; S375-H378 PolarHBondContact OG-CD2 3.02Å; S375-H378 PolarHBondContact OG-N 3.45Å; S375-H378 VanDerWaalsContact OG-N 3.15Å; H378-W380 PolarHBondContact O-N 2.93Å; H378-W380 VanDerWaalsContact O-N 3.08Å; H378-K381 PolarHBondContact ND1-NZ 2.97Å; H378-K381 WeakPolarHBondContact O-CB 3.49Å; H378-K381 PolarHBondContact O-N 3.04Å; H378-K381 VanDerWaalsContact O-N 3.15Å; H378-D473 IonicContact CD2-OD1 3.51Å; H378-D473 PolarHBondContact CD2-OD1 3.38Å; H378-D473 VanDerWaalsContact CD2-OD1 3.29Å; H378-D473 IonicContact NE2-OD1 2.67Å; H378-L476 HydrophobicContact CB-CD1 4.04Å; H378-L476 WeakPolarHBondContact CD2-CD1 3.31Å
379	R	98.6	Very high	98.7	Very high	103 Å²	103	42.3 Å²	42.3	39%	0.389	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-55.9	-27.2	-179.5	64.1	178.4	-66.6	149.3	6	114.7	I228 L372 L373 S375 K381 L382	I228-R379 PolarHBondContact O-NH2 3.47Å; L372-R379 WeakPolarHBondContact O-CA 3.49Å; L372-R379 PolarHBondContact O-N 3.2Å; L373-R379 HydrophobicContact CD2-CB 4.44Å; S375-R379 WeakPolarHBondContact O-CB 3.24Å; S375-R379 WeakPolarHBondContact O-CG 3.25Å; S375-R379 PolarHBondContact O-N 2.92Å; R379-K381 PolarHBondContact O-N 3.4Å; R379-K381 VanDerWaalsContact O-N 3.09Å; R379-L382 PolarHBondContact O-N 3.36Å
380	W	98.5	Very high	98.7	Very high	148 Å²	148	42.3 Å²	42.3	56%	0.561	18%	0.177	S	C	*	.	G	3₁₀ helix	trans	-59.2	-21.3	179.4	66.8	-94.8	0	0	0	113.6	R377 H378 L382 D383	R377-W380 PolarHBondContact O-NE1 3.3Å; R377-W380 VanDerWaalsContact O-NE1 3.07Å; H378-W380 PolarHBondContact O-N 2.93Å; H378-W380 VanDerWaalsContact O-N 3.08Å; W380-L382 PolarHBondContact O-N 2.81Å; W380-L382 VanDerWaalsContact O-N 3.13Å; W380-D383 WeakPolarHBondContact CA-OD1 3.5Å; W380-D383 WeakPolarHBondContact O-CB 3.24Å; W380-D383 PolarHBondContact O-N 3.18Å; W380-D383 VanDerWaalsContact O-N 3.07Å
381	K	98.6	Very high	98.7	Very high	32 Å²	32	42.4 Å²	42.4	14%	0.139	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-63.1	-16.3	173.7	-66.9	168.7	-178.8	169.5	0	112.9	F345 L372 H378 R379 Q501	F345-K381 HydrophobicContact CD1-CB 3.95Å; F345-K381 VanDerWaalsContact CD1-O 3.28Å; F345-K381 WeakPolarHBondContact CD1-O 3.46Å; F345-K381 HydrophobicContact CD2-CB 4.26Å; F345-K381 HydrophobicContact CD2-CD 4.49Å; F345-K381 HydrophobicContact CE1-CB 4.08Å; F345-K381 HydrophobicContact CE2-CB 4.38Å; F345-K381 HydrophobicContact CE2-CD 4.18Å; F345-K381 HydrophobicContact CG-CB 4.05Å; F345-K381 HydrophobicContact CZ-CB 4.29Å; F345-K381 HydrophobicContact CZ-CD 4.48Å; L372-K381 HydrophobicContact CD2-CD 3.84Å; H378-K381 PolarHBondContact ND1-NZ 2.97Å; H378-K381 WeakPolarHBondContact O-CB 3.49Å; H378-K381 PolarHBondContact O-N 3.04Å; H378-K381 VanDerWaalsContact O-N 3.15Å; R379-K381 PolarHBondContact O-N 3.4Å; R379-K381 VanDerWaalsContact O-N 3.09Å; K381-Q501 WeakPolarHBondContact CD-O 3.42Å; K381-Q501 WeakPolarHBondContact CE-O 3.38Å; K381-Q501 PolarHBondContact NZ-O 2.69Å
382	L	98.8	Very high	98.7	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.01	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-110	17.9	176.4	-62.3	94.6	0	0	0	112.6	A337 F345 L348 L372 L373 R379 W380 G384 V385	A337-L382 HydrophobicContact CB-CD2 3.71Å; A337-L382 HydrophobicContact CB-CG 4.13Å; F345-L382 HydrophobicContact CD1-CD1 4.36Å; F345-L382 HydrophobicContact CD1-CG 4.14Å; F345-L382 HydrophobicContact CE1-CD1 3.73Å; F345-L382 HydrophobicContact CE1-CD2 4.49Å; F345-L382 HydrophobicContact CE1-CG 3.87Å; L348-L382 HydrophobicContact CD1-CB 4.49Å; L372-L382 HydrophobicContact CB-CD1 3.86Å; L373-L382 HydrophobicContact CD1-CD2 4.35Å; L373-L382 HydrophobicContact CD2-CB 3.91Å; L373-L382 HydrophobicContact CD2-CD1 4.37Å; L373-L382 HydrophobicContact CD2-CD2 4.31Å; L373-L382 HydrophobicContact CD2-CG 4.42Å; L373-L382 HydrophobicContact CG-CD1 4.4Å; L373-L382 HydrophobicContact CG-CD2 4.06Å; R379-L382 PolarHBondContact O-N 3.36Å; W380-L382 PolarHBondContact O-N 2.81Å; W380-L382 VanDerWaalsContact O-N 3.13Å; L382-G384 PolarHBondContact O-N 3.14Å; L382-V385 HydrophobicContact CB-CB 4.33Å; L382-V385 HydrophobicContact CB-CG1 4.26Å; L382-V385 VanDerWaalsContact O-CB 3.26Å; L382-V385 WeakPolarHBondContact O-CB 3.42Å; L382-V385 VanDerWaalsContact O-CG1 3.27Å; L382-V385 WeakPolarHBondContact O-CG1 3.41Å; L382-V385 PolarHBondContact O-N 3.11Å
383	D	98.5	Very high	98.7	Very high	91 Å²	91	42.4 Å²	42.4	49%	0.487	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	126.7	177	-76.2	-14.5	0	0	0	110.9	I349 W380	I349-D383 HydrophobicContact CD1-CB 4.38Å; W380-D383 WeakPolarHBondContact CA-OD1 3.5Å; W380-D383 WeakPolarHBondContact O-CB 3.24Å; W380-D383 PolarHBondContact O-N 3.18Å; W380-D383 VanDerWaalsContact O-N 3.07Å
384	G	98.6	Very high	98.7	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.01	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.8	-7.3	-173.1	0	0	0	0	0	114.6	L382 E386 R387	L382-G384 PolarHBondContact O-N 3.14Å; G384-E386 VanDerWaalsContact C-OE2 3.23Å; G384-E386 WeakPolarHBondContact CA-OE1 3.2Å; G384-E386 VanDerWaalsContact CA-OE2 3.28Å; G384-E386 WeakPolarHBondContact CA-OE2 3.31Å; G384-E386 PolarHBondContact N-OE2 2.89Å; G384-E386 VanDerWaalsContact N-OE2 3.12Å; G384-E386 PolarHBondContact O-N 3.14Å; G384-R387 VanDerWaalsContact O-CB 3.27Å; G384-R387 WeakPolarHBondContact O-CB 3.4Å; G384-R387 PolarHBondContact O-N 3.32Å; G384-R387 VanDerWaalsContact O-N 3.08Å
385	V	98.9	Very high	98.7	Very high	4 Å²	4	42 Å²	42	2%	0.024	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-60.7	-31.9	177	68.2	0	0	0	0	112.7	I229 L348 V364 L373 L382 R387 A388 V391	I229-V385 HydrophobicContact CG2-CG1 4.36Å; I229-V385 HydrophobicContact CG2-CG2 4.33Å; L348-V385 HydrophobicContact CD1-CB 3.97Å; V364-V385 HydrophobicContact CB-CG2 4.35Å; V364-V385 HydrophobicContact CG1-CG2 4.22Å; V364-V385 HydrophobicContact CG2-CG2 4.36Å; L373-V385 HydrophobicContact CD2-CG1 4.09Å; L382-V385 HydrophobicContact CB-CB 4.33Å; L382-V385 HydrophobicContact CB-CG1 4.26Å; L382-V385 VanDerWaalsContact O-CB 3.26Å; L382-V385 WeakPolarHBondContact O-CB 3.42Å; L382-V385 VanDerWaalsContact O-CG1 3.27Å; L382-V385 WeakPolarHBondContact O-CG1 3.41Å; L382-V385 PolarHBondContact O-N 3.11Å; V385-R387 PolarHBondContact O-N 3.33Å; V385-A388 WeakPolarHBondContact O-CB 3.25Å; V385-A388 PolarHBondContact O-N 3.27Å; V385-V391 HydrophobicContact CG2-CG1 4.35Å; V385-V391 HydrophobicContact CG2-CG2 3.84Å
386	E	98.8	Very high	98.7	Very high	74 Å²	74	42.6 Å²	42.6	35%	0.346	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-61.4	-18.6	176.7	73.1	-68	160.5	0	0	112.7	I229 W231 G384 R411	I229-E386 WeakPolarHBondContact O-CB 3.35Å; W231-E386 PolarHBondContact NE1-O 2.85Å; W231-E386 VanDerWaalsContact NE1-O 3.08Å; G384-E386 VanDerWaalsContact C-OE2 3.23Å; G384-E386 WeakPolarHBondContact CA-OE1 3.2Å; G384-E386 VanDerWaalsContact CA-OE2 3.28Å; G384-E386 WeakPolarHBondContact CA-OE2 3.31Å; G384-E386 PolarHBondContact N-OE2 2.89Å; G384-E386 VanDerWaalsContact N-OE2 3.12Å; G384-E386 PolarHBondContact O-N 3.14Å; E386-R411 PolarHBondContact O-NH1 3.05Å
387	R	98.8	Very high	98.8	Very high	41 Å²	41	35.6 Å²	35.6	16%	0.155	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-85.4	-9.7	177.8	-52.6	171.4	48.7	162.5	2.4	113.2	I349 S352 D353 K356 G384 V385	I349-R387 PolarHBondContact O-NH1 3.13Å; S352-R387 VanDerWaalsContact C-NH2 3.33Å; S352-R387 VanDerWaalsContact CB-CZ 3.45Å; S352-R387 VanDerWaalsContact CB-NE 3.3Å; S352-R387 VanDerWaalsContact CB-NH2 3.35Å; S352-R387 WeakPolarHBondContact OG-CB 3.44Å; S352-R387 VanDerWaalsContact OG-CZ 3.25Å; S352-R387 PolarHBondContact OG-NE 3.1Å; S352-R387 PolarHBondContact OG-NH2 3.31Å; D353-R387 IonicContact OD1-CZ 2.64Å; D353-R387 IonicContact OD1-NH1 2.66Å; D353-R387 PolarHBondContact OD1-NH1 3.04Å; D353-R387 IonicContact OD1-NH2 3.33Å; D353-R387 PolarHBondContact OD1-NH2 3.17Å; D353-R387 IonicContact OD2-NH1 2.74Å; K356-R387 VanDerWaalsContact NZ-NH2 3.16Å; G384-R387 VanDerWaalsContact O-CB 3.27Å; G384-R387 WeakPolarHBondContact O-CB 3.4Å; G384-R387 PolarHBondContact O-N 3.32Å; G384-R387 VanDerWaalsContact O-N 3.08Å; V385-R387 PolarHBondContact O-N 3.33Å
388	A	98.9	Very high	98.7	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.128	C	C	.	.			trans	-65.9	148.5	-179.3	0	0	0	0	0	112.5	F362 V364 V385 V391 R411	F362-A388 HydrophobicContact CD1-CB 4.1Å; F362-A388 HydrophobicContact CE1-CB 4.12Å; V364-A388 HydrophobicContact CB-CB 4.43Å; V364-A388 HydrophobicContact CG2-CB 3.75Å; V385-A388 WeakPolarHBondContact O-CB 3.25Å; V385-A388 PolarHBondContact O-N 3.27Å; A388-V391 HydrophobicContact CB-CG2 3.89Å; A388-R411 WeakPolarHBondContact O-CD 3.47Å
389	N	98.9	Very high	98.7	Very high	51 Å²	51	28.1 Å²	28.1	27%	0.273	12%	0.124	S	C	.	.	S	Bend	trans	-79.9	-32.9	168.7	-61.5	106	0	0	0	111.1	W361 F362 R411	W361-N389 HydrophobicContact CD2-CB 3.52Å; W361-N389 HydrophobicContact CE3-CB 3.84Å; W361-N389 HydrophobicContact CG-CB 4.12Å; W361-N389 HydrophobicContact CH2-CB 3.76Å; W361-N389 HydrophobicContact CZ2-CB 3.44Å; W361-N389 VanDerWaalsContact CZ2-CB 3.44Å; W361-N389 HydrophobicContact CZ3-CB 3.94Å; F362-N389 PolarHBondContact N-OD1 2.86Å; F362-N389 WeakPolarHBondContact O-CB 3.15Å; F362-N389 PolarHBondContact O-N 3.47Å; N389-R411 PolarHBondContact O-N 3.27Å
390	S	98.9	Very high	98.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	155.3	170.4	56.2	0	0	0	0	113.1	A251 W361 F362 H363 V364 L409	A251-S390 WeakPolarHBondContact CB-OG 3.35Å; W361-S390 PolarHBondContact NE1-OG 2.97Å; F362-S390 PolarHBondContact O-N 3.03Å; H363-S390 WeakPolarHBondContact CA-O 3.17Å; H363-S390 PolarHBondContact ND1-O 2.93Å; H363-S390 VanDerWaalsContact ND1-O 3.14Å; H363-S390 PolarHBondContact ND1-OG 3.5Å; V364-S390 PolarHBondContact N-O 3.22Å; S390-L409 CarbonylContact C-O 3.36Å; S390-L409 WeakPolarHBondContact CA-O 3.26Å; S390-L409 VanDerWaalsContact CB-O 3.23Å; S390-L409 WeakPolarHBondContact CB-O 3.14Å
391	V	99	Very high	98.7	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.012	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	129.4	179.4	-175.6	0	0	0	0	109.7	I229 W231 V364 V385 A388 L409	I229-V391 HydrophobicContact CD1-CB 3.89Å; I229-V391 HydrophobicContact CD1-CG1 4.06Å; I229-V391 HydrophobicContact CD1-CG2 3.92Å; W231-V391 HydrophobicContact CZ2-CG2 4.24Å; V364-V391 HydrophobicContact CB-CG2 4.34Å; V364-V391 WeakPolarHBondContact O-CA 3.15Å; V385-V391 HydrophobicContact CG2-CG1 4.35Å; V385-V391 HydrophobicContact CG2-CG2 3.84Å; A388-V391 HydrophobicContact CB-CG2 3.89Å; V391-L409 HydrophobicContact CB-CB 4.49Å; V391-L409 PolarHBondContact N-O 2.64Å; V391-L409 PolarHBondContact O-N 3.41Å
392	T	98.9	Very high	98.7	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	135.9	165.2	-69.3	0	0	0	0	108.8	S247 N248 H363 V364 G366 A367 A407	S247-T392 VanDerWaalsContact CB-OG1 3.3Å; S247-T392 WeakPolarHBondContact CB-OG1 3.32Å; N248-T392 VanDerWaalsContact OD1-CB 3.27Å; N248-T392 WeakPolarHBondContact OD1-CB 3.49Å; N248-T392 PolarHBondContact OD1-OG1 3.41Å; H363-T392 PolarHBondContact CE1-N 3.4Å; H363-T392 PolarHBondContact CE1-OG1 3.31Å; H363-T392 VanDerWaalsContact CE1-OG1 3.26Å; H363-T392 PolarHBondContact NE2-OG1 3.01Å; V364-T392 PolarHBondContact O-N 2.53Å; G366-T392 CarbonylContact C-O 3.41Å; G366-T392 WeakPolarHBondContact CA-O 3.34Å; G366-T392 PolarHBondContact N-O 3.48Å; A367-T392 HydrophobicContact CB-CG2 3.85Å; A367-T392 PolarHBondContact N-O 3.39Å; T392-A407 WeakPolarHBondContact CA-O 3.47Å
393	W	98.9	Very high	98.7	Very high	1 Å²	1	21.4 Å²	21.4	0%	0.004	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	126.4	174.8	-178.1	2.2	0	0	0	110	M225 I228 S371 M374 P395 M399 A407 L409	M225-W393 HydrophobicContact CB-CE3 4.17Å; M225-W393 HydrophobicContact CB-CZ3 3.92Å; M225-W393 HydrophobicContact CE-CB 4.07Å; M225-W393 HydrophobicContact CE-CD2 3.51Å; M225-W393 HydrophobicContact CE-CE3 3.37Å; M225-W393 HydrophobicContact CE-CG 3.86Å; M225-W393 HydrophobicContact CE-CZ3 3.99Å; M225-W393 HydrophobicContact CG-CE3 4.26Å; M225-W393 HydrophobicContact CG-CZ3 3.99Å; I228-W393 HydrophobicContact CG2-CH2 4.07Å; I228-W393 HydrophobicContact CG2-CZ3 4.21Å; S371-W393 PolarHBondContact OG-NE1 3.33Å; M374-W393 HydrophobicContact CG-CH2 4.21Å; M374-W393 HydrophobicContact CG-CZ2 3.94Å; M374-W393 HydrophobicContact SD-CH2 3.84Å; M374-W393 HydrophobicContact SD-CZ2 4.07Å; W393-P395 WeakPolarHBondContact O-CD 3.39Å; W393-M399 HydrophobicContact CZ2-SD 3.7Å; W393-A407 PolarHBondContact N-O 2.82Å; W393-A407 PolarHBondContact O-N 2.7Å; W393-L409 HydrophobicContact CE3-CD1 4.4Å
394	N	98.9	Very high	98.7	Very high	4 Å²	4	21.1 Å²	21.1	2%	0.021	11%	0.105	C	C	.	.			trans	-108.6	97.5	175.9	-55.2	8.5	0	0	0	112	G244 A367 H396 K397 S406	G244-N394 WeakPolarHBondContact CA-OD1 3.37Å; G244-N394 PolarHBondContact N-ND2 3.1Å; A367-N394 WeakPolarHBondContact O-CB 3.48Å; A367-N394 PolarHBondContact O-N 2.67Å; N394-H396 PolarHBondContact ND2-CE1 3.13Å; N394-H396 PolarHBondContact ND2-NE2 3.4Å; N394-H396 PolarHBondContact O-N 2.64Å; N394-H396 VanDerWaalsContact O-N 3.14Å; N394-K397 HydrophobicContact CB-CD 4.27Å; N394-K397 HydrophobicContact CB-CG 4.08Å; N394-K397 PolarHBondContact O-N 3.16Å; N394-K397 VanDerWaalsContact O-N 3.14Å; N394-S406 WeakPolarHBondContact OD1-CB 3.47Å; N394-S406 PolarHBondContact OD1-OG 3.12Å
395	P	98.8	Very high	98.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-26.9	168.4	-29.5	36.7	0	0	0	113.9	M225 W393 K397 M399 S400 V401 C405 L456	M225-P395 HydrophobicContact CE-CG 4.16Å; W393-P395 WeakPolarHBondContact O-CD 3.39Å; P395-K397 PolarHBondContact O-N 3.02Å; P395-M399 HydrophobicContact CB-CB 4.4Å; P395-M399 HydrophobicContact CB-CE 4.41Å; P395-M399 HydrophobicContact CB-SD 3.97Å; P395-M399 HydrophobicContact CG-SD 4.26Å; P395-M399 CarbonylContact O-C 3.49Å; P395-M399 VanDerWaalsContact O-CB 3.32Å; P395-M399 WeakPolarHBondContact O-CB 3.26Å; P395-M399 PolarHBondContact O-N 3.41Å; P395-S400 PolarHBondContact O-N 3.5Å; P395-V401 HydrophobicContact CB-CB 4.2Å; P395-V401 HydrophobicContact CB-CG2 3.64Å; P395-V401 PolarHBondContact O-N 3.36Å; P395-C405 WeakPolarHBondContact CD-O 3.43Å; P395-L456 HydrophobicContact CB-CD1 3.91Å; P395-L456 HydrophobicContact CB-CD2 4.25Å; P395-L456 HydrophobicContact CG-CD1 4.24Å; P395-L456 HydrophobicContact CG-CD2 3.84Å
396	H	98.8	Very high	98.7	Very high	13 Å²	13	20.9 Å²	20.9	6%	0.06	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-1.3	177.8	67.4	-117.6	0	0	0	116.2	S184 N394 V401 L403 C405	S184-H396 WeakPolarHBondContact CB-O 3.5Å; S184-H396 PolarHBondContact OG-O 3.03Å; N394-H396 PolarHBondContact ND2-CE1 3.13Å; N394-H396 PolarHBondContact ND2-NE2 3.4Å; N394-H396 PolarHBondContact O-N 2.64Å; N394-H396 VanDerWaalsContact O-N 3.14Å; H396-V401 WeakPolarHBondContact CA-O 3.08Å; H396-V401 VanDerWaalsContact CB-O 3.23Å; H396-V401 WeakPolarHBondContact CB-O 3.25Å; H396-L403 HydrophobicContact CB-CD2 3.92Å; H396-L403 HydrophobicContact CB-CG 4.44Å; H396-L403 WeakPolarHBondContact CD2-CD2 3.18Å; H396-C405 HydrophobicContact CB-CB 4Å; H396-C405 PolarHBondContact N-O 2.9Å; H396-C405 PolarHBondContact ND1-N 2.99Å; H396-C405 PolarHBondContact ND1-O 3.18Å
397	K	98.7	Very high	98.7	Very high	24 Å²	24	17.4 Å²	17.4	10%	0.104	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-96.4	173.5	-59.8	-176	-178.3	167.6	0	109.5	L183 A367 W368 N394 P395 M399 S400	L183-K397 HydrophobicContact CB-CD 4.06Å; L183-K397 HydrophobicContact CB-CG 4.35Å; L183-K397 HydrophobicContact CD1-CD 4.15Å; A367-K397 WeakPolarHBondContact O-CD 3.29Å; W368-K397 HydrophobicContact CB-CD 4.26Å; W368-K397 HydrophobicContact CE3-CB 3.51Å; W368-K397 HydrophobicContact CE3-CD 3.93Å; W368-K397 HydrophobicContact CE3-CG 4.35Å; W368-K397 HydrophobicContact CZ3-CB 3.67Å; N394-K397 HydrophobicContact CB-CD 4.27Å; N394-K397 HydrophobicContact CB-CG 4.08Å; N394-K397 PolarHBondContact O-N 3.16Å; N394-K397 VanDerWaalsContact O-N 3.14Å; P395-K397 PolarHBondContact O-N 3.02Å; K397-M399 VanDerWaalsContact C-N 3.29Å; K397-M399 PolarHBondContact O-N 2.89Å; K397-S400 PolarHBondContact O-N 2.99Å
398	M	98.3	Very high	98.7	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-20.7	-169.5	-168	65.8	-162.3	0	0	114.1	W368 L372 S400 I472 C475 T503	W368-M398 HydrophobicContact CE3-CB 4.07Å; W368-M398 HydrophobicContact CH2-CB 4.41Å; W368-M398 HydrophobicContact CH2-SD 3.73Å; W368-M398 HydrophobicContact CZ2-SD 4.47Å; W368-M398 HydrophobicContact CZ3-CB 3.68Å; W368-M398 HydrophobicContact CZ3-CG 4.39Å; W368-M398 HydrophobicContact CZ3-SD 3.96Å; L372-M398 HydrophobicContact CD1-CG 4.4Å; M398-S400 VanDerWaalsContact C-N 3.3Å; M398-I472 HydrophobicContact CE-CB 4.33Å; M398-I472 HydrophobicContact CE-CG1 4.33Å; M398-I472 HydrophobicContact CE-CG2 4.19Å; M398-I472 HydrophobicContact CG-CG1 4.05Å; M398-C475 HydrophobicContact CE-CB 3.31Å; M398-T503 HydrophobicContact CE-CG2 3.93Å; M398-T503 HydrophobicContact SD-CG2 4.36Å
399	M	98.6	Very high	98.7	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	1.8	174.8	-61.8	166.9	63.7	0	0	112.3	S371 M374 W393 P395 K397 V401 L456 M459 F468 Q471 I472	S371-M399 WeakPolarHBondContact OG-CG 3.44Å; M374-M399 HydrophobicContact CE-CE 3.87Å; M374-M399 HydrophobicContact CG-SD 4.44Å; W393-M399 HydrophobicContact CZ2-SD 3.7Å; P395-M399 HydrophobicContact CB-CB 4.4Å; P395-M399 HydrophobicContact CB-CE 4.41Å; P395-M399 HydrophobicContact CB-SD 3.97Å; P395-M399 HydrophobicContact CG-SD 4.26Å; P395-M399 CarbonylContact O-C 3.49Å; P395-M399 VanDerWaalsContact O-CB 3.32Å; P395-M399 WeakPolarHBondContact O-CB 3.26Å; P395-M399 PolarHBondContact O-N 3.41Å; K397-M399 VanDerWaalsContact C-N 3.29Å; K397-M399 PolarHBondContact O-N 2.89Å; M399-V401 HydrophobicContact CB-CG2 4.29Å; M399-V401 PolarHBondContact O-N 3.04Å; M399-V401 VanDerWaalsContact O-N 3.13Å; M399-L456 HydrophobicContact CE-CD1 3.74Å; M399-M459 WeakPolarHBondContact O-CE 3.49Å; M399-F468 HydrophobicContact CB-CD1 4.03Å; M399-F468 HydrophobicContact CB-CE1 3.81Å; M399-F468 HydrophobicContact CE-CD1 4.03Å; M399-F468 HydrophobicContact CE-CD2 3.79Å; M399-F468 HydrophobicContact CE-CE1 3.86Å; M399-F468 HydrophobicContact CE-CE2 3.55Å; M399-F468 HydrophobicContact CE-CG 4.01Å; M399-F468 HydrophobicContact CE-CZ 3.61Å; M399-F468 HydrophobicContact CG-CD1 4.2Å; M399-F468 HydrophobicContact CG-CE1 4.38Å; M399-Q471 PolarHBondContact O-NE2 3.43Å; M399-I472 HydrophobicContact CG-CD1 4.46Å
400	S	97.5	Very high	98.7	Very high	7 Å²	7	13 Å²	13	5%	0.049	7%	0.066	C	C	.	.			trans	56.8	25	177.1	-43.9	0	0	0	0	114.6	P395 K397 M398 Q471 S563	P395-S400 PolarHBondContact O-N 3.5Å; K397-S400 PolarHBondContact O-N 2.99Å; M398-S400 VanDerWaalsContact C-N 3.3Å; S400-Q471 PolarHBondContact OG-NE2 3.4Å; S400-S563 PolarHBondContact OG-O 2.85Å
401	V	98.8	Very high	98.7	Very high	3 Å²	3	19 Å²	19	2%	0.018	9%	0.089	C	C	.	.	P	Polyproline II helix	trans	-65.3	136.6	172	-178.4	0	0	0	0	108.5	P395 H396 M399 C405 K455 L456 M459	P395-V401 HydrophobicContact CB-CB 4.2Å; P395-V401 HydrophobicContact CB-CG2 3.64Å; P395-V401 PolarHBondContact O-N 3.36Å; H396-V401 WeakPolarHBondContact CA-O 3.08Å; H396-V401 VanDerWaalsContact CB-O 3.23Å; H396-V401 WeakPolarHBondContact CB-O 3.25Å; M399-V401 HydrophobicContact CB-CG2 4.29Å; M399-V401 PolarHBondContact O-N 3.04Å; M399-V401 VanDerWaalsContact O-N 3.13Å; V401-C405 HydrophobicContact CB-CB 4.26Å; V401-C405 HydrophobicContact CG1-CB 3.66Å; V401-K455 HydrophobicContact CG1-CB 4.27Å; V401-K455 HydrophobicContact CG1-CD 3.67Å; V401-K455 HydrophobicContact CG1-CG 3.69Å; V401-L456 HydrophobicContact CG1-CB 4.42Å; V401-L456 HydrophobicContact CG2-CB 4.44Å; V401-L456 HydrophobicContact CG2-CD1 3.93Å; V401-M459 HydrophobicContact CB-CE 4.34Å; V401-M459 HydrophobicContact CB-SD 4.1Å; V401-M459 HydrophobicContact CG1-SD 4.15Å; V401-M459 HydrophobicContact CG2-CE 3.77Å; V401-M459 HydrophobicContact CG2-SD 3.79Å
402	P	98.4	Very high	98.6	Very high	20 Å²	20	22.4 Å²	22.4	13%	0.13	11%	0.105	C	C	.	.	P	Polyproline II helix	trans	-55.5	145.2	176.1	-30	36.9	0	0	0	113.3	D195 Q404 K455	D195-P402 WeakPolarHBondContact OD2-CB 3.37Å; P402-Q404 CarbonylContact O-C 3.5Å; P402-K455 HydrophobicContact CB-CD 4.04Å; P402-K455 HydrophobicContact CG-CD 4.39Å; P402-K455 WeakPolarHBondContact O-CD 3.36Å; P402-K455 WeakPolarHBondContact O-CE 3.23Å; P402-K455 PolarHBondContact O-NZ 3.38Å
403	L	98.4	Very high	98.6	Very high	113 Å²	113	28 Å²	28	59%	0.592	13%	0.131	S	C	*	.	S	Bend	trans	-66.2	143.9	179.7	-74.9	162.9	0	0	0	110.9	H396 K455	H396-L403 HydrophobicContact CB-CD2 3.92Å; H396-L403 HydrophobicContact CB-CG 4.44Å; H396-L403 WeakPolarHBondContact CD2-CD2 3.18Å; L403-K455 PolarHBondContact O-NZ 2.89Å
404	Q	98.3	Very high	98.5	Very high	86 Å²	86	29.6 Å²	29.6	40%	0.402	15%	0.148	S	C	.	.	P	Polyproline II helix	cis	-88.4	160.8	-15.1	-61.9	-175.8	-50.4	0	0	110.9	P242 P402 D452 K455	P242-Q404 VanDerWaalsContact CB-OE1 3.29Å; P242-Q404 PolarHBondContact O-NE2 3.45Å; P242-Q404 VanDerWaalsContact O-NE2 3.15Å; P402-Q404 CarbonylContact O-C 3.5Å; Q404-D452 VanDerWaalsContact O-CG 3.28Å; Q404-K455 WeakPolarHBondContact O-CE 3.5Å; Q404-K455 PolarHBondContact O-NZ 3.34Å; Q404-K455 VanDerWaalsContact O-NZ 3.11Å
405	C	98.8	Very high	98.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.149	C	C	.	.			trans	-169	93	173.1	-169.9	0	0	0	0	109	F240 P395 H396 V401	F240-C405 VanDerWaalsContact CE1-SG 3.59Å; P395-C405 WeakPolarHBondContact CD-O 3.43Å; H396-C405 HydrophobicContact CB-CB 4Å; H396-C405 PolarHBondContact N-O 2.9Å; H396-C405 PolarHBondContact ND1-N 2.99Å; H396-C405 PolarHBondContact ND1-O 3.18Å; V401-C405 HydrophobicContact CB-CB 4.26Å; V401-C405 HydrophobicContact CG1-CB 3.66Å
406	S	98.9	Very high	98.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	134.2	179.6	-179.7	0	0	0	0	109.5	F240 S241 G244 S247 N394	F240-S406 CarbonylContact C-O 3.53Å; F240-S406 WeakPolarHBondContact CA-O 3.48Å; F240-S406 WeakPolarHBondContact CD1-O 3.26Å; S241-S406 PolarHBondContact N-O 3.05Å; G244-S406 VanDerWaalsContact CA-OG 3.27Å; G244-S406 WeakPolarHBondContact CA-OG 3.25Å; G244-S406 PolarHBondContact N-OG 3.17Å; S247-S406 PolarHBondContact OG-OG 3.49Å; N394-S406 WeakPolarHBondContact OD1-CB 3.47Å; N394-S406 PolarHBondContact OD1-OG 3.12Å
407	A	98.9	Very high	98.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	139.2	174.9	0	0	0	0	0	110.3	L222 M225 I239 F240 T392 W393 L409	L222-A407 HydrophobicContact CD2-CB 3.9Å; M225-A407 HydrophobicContact CE-CB 3.75Å; M225-A407 HydrophobicContact SD-CB 4.2Å; I239-A407 WeakPolarHBondContact O-CA 3.35Å; F240-A407 HydrophobicContact CD1-CB 4.41Å; F240-A407 HydrophobicContact CE1-CB 4.18Å; F240-A407 HydrophobicContact CZ-CB 4.31Å; T392-A407 WeakPolarHBondContact CA-O 3.47Å; W393-A407 PolarHBondContact N-O 2.82Å; W393-A407 PolarHBondContact O-N 2.7Å; A407-L409 HydrophobicContact CB-CG 4.47Å
408	L	98.9	Very high	98.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	131.4	154.1	178.5	71.7	0	0	0	108.2	G238 I239 Y250 A251 L254 V410 M416	G238-L408 CarbonylContact C-O 3.51Å; G238-L408 WeakPolarHBondContact CA-O 3.24Å; I239-L408 PolarHBondContact N-O 2.86Å; I239-L408 PolarHBondContact O-N 3.43Å; Y250-L408 HydrophobicContact CG-CD2 4.08Å; A251-L408 HydrophobicContact CB-CD1 3.98Å; L254-L408 HydrophobicContact CD1-CD2 3.84Å; L408-V410 HydrophobicContact CD2-CG2 3.84Å; L408-V410 HydrophobicContact CG-CG2 3.91Å; L408-M416 HydrophobicContact CD2-CE 3.69Å; L408-M416 HydrophobicContact CD2-SD 4.36Å
409	L	98.9	Very high	98.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	133.6	175.8	-58.5	163.8	0	0	0	107.7	L222 M225 R226 I229 W231 S390 V391 W393 A407	L222-L409 HydrophobicContact CB-CD2 4.34Å; L222-L409 HydrophobicContact CD2-CD2 3.61Å; M225-L409 HydrophobicContact CB-CD1 3.8Å; M225-L409 HydrophobicContact CB-CD2 4.24Å; M225-L409 HydrophobicContact CE-CD1 4.31Å; R226-L409 HydrophobicContact CG-CB 4.42Å; R226-L409 HydrophobicContact CG-CD2 3.93Å; I229-L409 HydrophobicContact CD1-CB 4.27Å; I229-L409 HydrophobicContact CD1-CD1 3.34Å; I229-L409 HydrophobicContact CD1-CG 4.41Å; W231-L409 HydrophobicContact CH2-CB 4.14Å; W231-L409 HydrophobicContact CZ3-CB 4.07Å; S390-L409 CarbonylContact C-O 3.36Å; S390-L409 WeakPolarHBondContact CA-O 3.26Å; S390-L409 VanDerWaalsContact CB-O 3.23Å; S390-L409 WeakPolarHBondContact CB-O 3.14Å; V391-L409 HydrophobicContact CB-CB 4.49Å; V391-L409 PolarHBondContact N-O 2.64Å; V391-L409 PolarHBondContact O-N 3.41Å; W393-L409 HydrophobicContact CE3-CD1 4.4Å; A407-L409 HydrophobicContact CB-CG 4.47Å
410	V	98.9	Very high	98.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	131.5	-174.4	-176.4	0	0	0	0	108.6	W231 G236 D237 L254 W361 L408 E412 L415 M416	W231-V410 VanDerWaalsContact CH2-C 3.48Å; W231-V410 WeakPolarHBondContact CZ3-O 3.25Å; G236-V410 CarbonylContact C-O 3.53Å; G236-V410 WeakPolarHBondContact CA-O 2.97Å; D237-V410 HydrophobicContact CB-CB 4.41Å; D237-V410 PolarHBondContact N-O 2.79Å; D237-V410 PolarHBondContact O-N 2.85Å; L254-V410 HydrophobicContact CD1-CG1 4.34Å; L254-V410 HydrophobicContact CD1-CG2 3.55Å; W361-V410 HydrophobicContact CH2-CG1 4.15Å; W361-V410 HydrophobicContact CZ2-CG1 4.43Å; L408-V410 HydrophobicContact CD2-CG2 3.84Å; L408-V410 HydrophobicContact CG-CG2 3.91Å; V410-E412 VanDerWaalsContact C-N 3.31Å; V410-E412 PolarHBondContact O-N 2.86Å; V410-L415 HydrophobicContact CG1-CD2 4.37Å; V410-M416 HydrophobicContact CB-CG 4.42Å; V410-M416 HydrophobicContact CB-SD 4.36Å; V410-M416 HydrophobicContact CG2-CG 3.98Å; V410-M416 HydrophobicContact CG2-SD 3.66Å
411	R	98.3	Very high	98.3	Very high	126 Å²	126	36.3 Å²	36.3	48%	0.475	19%	0.186	S	C	.	.	S	Bend	trans	-71.9	-29.5	-173.4	-168.5	172.4	179.4	-178.8	3.2	113	W231 E386 A388 N389	W231-R411 HydrophobicContact CD2-CB 4.31Å; W231-R411 HydrophobicContact CD2-CG 4.11Å; W231-R411 HydrophobicContact CE3-CB 4.41Å; W231-R411 HydrophobicContact CG-CG 4.49Å; W231-R411 HydrophobicContact CH2-CB 3.91Å; W231-R411 VanDerWaalsContact CH2-N 3.32Å; W231-R411 HydrophobicContact CZ2-CB 3.74Å; W231-R411 HydrophobicContact CZ2-CG 4.28Å; W231-R411 HydrophobicContact CZ3-CB 4.23Å; E386-R411 PolarHBondContact O-NH1 3.05Å; A388-R411 WeakPolarHBondContact O-CD 3.47Å; N389-R411 PolarHBondContact O-N 3.27Å
412	E	98.2	Very high	98.3	Very high	73 Å²	73	42.5 Å²	42.5	34%	0.341	22%	0.216	S	C	.	.	S	Bend	trans	-95.7	122.3	-177.9	-175.1	173.4	160.8	0	0	111.1	K258 V410 L415	K258-E412 WeakPolarHBondContact CD-OE2 3.43Å; K258-E412 WeakPolarHBondContact CE-OE2 3.29Å; K258-E412 IonicContact NZ-OE1 2.71Å; K258-E412 PolarHBondContact NZ-OE1 2.83Å; K258-E412 IonicContact NZ-OE2 3.7Å; K258-E412 PolarHBondContact NZ-OE2 3.25Å; V410-E412 VanDerWaalsContact C-N 3.31Å; V410-E412 PolarHBondContact O-N 2.86Å; E412-L415 HydrophobicContact CB-CB 4.38Å; E412-L415 HydrophobicContact CG-CB 4.23Å
413	E	97.5	Very high	98.1	Very high	117 Å²	117	46.4 Å²	46.4	55%	0.547	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	145.3	177.4	-65.5	173.1	173	0	0	110.9	G236 L415	G236-E413 PolarHBondContact N-OE1 3.36Å; E413-L415 PolarHBondContact O-N 3.37Å; E413-L415 VanDerWaalsContact O-N 3.11Å
414	G	97.3	Very high	97.9	Very high	35 Å²	35	42.2 Å²	42.2	36%	0.361	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	-11.9	176.9	0	0	0	0	0	115.6	Q417 S418	G414-Q417 PolarHBondContact O-N 2.92Å; G414-S418 WeakPolarHBondContact O-CB 3.29Å; G414-S418 PolarHBondContact O-N 2.84Å; G414-S418 PolarHBondContact O-OG 3.41Å
415	L	98.4	Very high	97.7	Very high	10 Å²	10	43.3 Å²	43.3	5%	0.052	23%	0.23	C	C	.	.	H	α-helix	trans	-65	-41.3	178.1	-176.8	64.1	0	0	0	112	L254 F257 K258 W361 V410 E412 E413 C419	L254-L415 HydrophobicContact CB-CD2 4.2Å; L254-L415 HydrophobicContact CD2-CG 4.23Å; F257-L415 HydrophobicContact CD1-CD1 3.86Å; F257-L415 HydrophobicContact CE1-CD1 4.27Å; K258-L415 HydrophobicContact CB-CD1 4.1Å; K258-L415 HydrophobicContact CB-CD2 4.38Å; K258-L415 HydrophobicContact CD-CD2 4.26Å; W361-L415 HydrophobicContact CH2-CD2 3.56Å; W361-L415 HydrophobicContact CZ3-CD2 3.74Å; V410-L415 HydrophobicContact CG1-CD2 4.37Å; E412-L415 HydrophobicContact CB-CB 4.38Å; E412-L415 HydrophobicContact CG-CB 4.23Å; E413-L415 PolarHBondContact O-N 3.37Å; E413-L415 VanDerWaalsContact O-N 3.11Å; L415-C419 WeakPolarHBondContact O-CB 3.37Å; L415-C419 PolarHBondContact O-N 3.36Å
416	M	98.4	Very high	97.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-65	-44.8	178.7	-59.4	-165.2	70.4	0	0	111.6	I239 Y250 L254 L408 V410 C419 N420 K443	I239-M416 HydrophobicContact CB-CE 4.23Å; I239-M416 HydrophobicContact CG2-CE 3.55Å; Y250-M416 HydrophobicContact CD1-CE 4.12Å; Y250-M416 HydrophobicContact CE1-CE 4.35Å; L254-M416 HydrophobicContact CD1-CE 4.3Å; L254-M416 HydrophobicContact CD1-CG 3.86Å; L254-M416 HydrophobicContact CD1-SD 4.44Å; L254-M416 HydrophobicContact CD2-CB 4.34Å; L254-M416 HydrophobicContact CD2-CG 4.03Å; L408-M416 HydrophobicContact CD2-CE 3.69Å; L408-M416 HydrophobicContact CD2-SD 4.36Å; V410-M416 HydrophobicContact CB-CG 4.42Å; V410-M416 HydrophobicContact CB-SD 4.36Å; V410-M416 HydrophobicContact CG2-CG 3.98Å; V410-M416 HydrophobicContact CG2-SD 3.66Å; M416-C419 PolarHBondContact O-N 3.01Å; M416-N420 WeakPolarHBondContact O-CB 3.07Å; M416-N420 PolarHBondContact O-N 2.88Å; M416-N420 PolarHBondContact O-ND2 3.43Å; M416-K443 HydrophobicContact CB-CB 3.88Å; M416-K443 HydrophobicContact CB-CD 4.41Å
417	Q	98	Very high	97.2	Very high	56 Å²	56	52.1 Å²	52.1	26%	0.262	27%	0.266	S	S	.	.	H	α-helix	trans	-57.1	-57.1	175.1	-177.5	63.6	33.5	0	0	110.3	G414 C419 N420 Q421 K443	G414-Q417 PolarHBondContact O-N 2.92Å; Q417-C419 VanDerWaalsContact C-N 3.28Å; Q417-C419 PolarHBondContact O-N 3.41Å; Q417-N420 PolarHBondContact O-N 3.16Å; Q417-Q421 WeakPolarHBondContact O-CB 3.25Å; Q417-Q421 WeakPolarHBondContact O-CG 3.42Å; Q417-Q421 PolarHBondContact O-N 3.01Å; Q417-K443 HydrophobicContact CB-CB 4.16Å
418	S	98.1	Very high	97	Very high	52 Å²	52	53.3 Å²	53.3	36%	0.364	27%	0.271	S	S	.	.	H	α-helix	trans	-58.3	-40.4	-178.1	-57.2	0	0	0	0	112.8	F257 K264 G414	F257-S418 WeakPolarHBondContact CZ-O 3.18Å; K264-S418 PolarHBondContact NZ-O 3.36Å; G414-S418 WeakPolarHBondContact O-CB 3.29Å; G414-S418 PolarHBondContact O-N 2.84Å; G414-S418 PolarHBondContact O-OG 3.41Å
419	C	98.6	Very high	96.8	Very high	7 Å²	7	56.5 Å²	56.5	5%	0.047	29%	0.286	C	S	.	.	H	α-helix	trans	-64	-48.3	179.6	-179.4	0	0	0	0	112	L254 F257 K264 L415 M416 Q417	L254-C419 HydrophobicContact CD2-CB 3.66Å; F257-C419 HydrophobicContact CB-CB 4.1Å; F257-C419 VanDerWaalsContact CB-SG 3.58Å; F257-C419 HydrophobicContact CD1-CB 3.6Å; F257-C419 HydrophobicContact CD2-CB 4.29Å; F257-C419 HydrophobicContact CE1-CB 4.09Å; F257-C419 HydrophobicContact CG-CB 3.72Å; K264-C419 WeakPolarHBondContact CD-O 3.49Å; K264-C419 WeakPolarHBondContact CE-O 3.32Å; K264-C419 PolarHBondContact NZ-O 3.45Å; L415-C419 WeakPolarHBondContact O-CB 3.37Å; L415-C419 PolarHBondContact O-N 3.36Å; M416-C419 PolarHBondContact O-N 3.01Å; Q417-C419 VanDerWaalsContact C-N 3.28Å; Q417-C419 PolarHBondContact O-N 3.41Å
420	N	98.3	Very high	96.6	Very high	14 Å²	14	63.5 Å²	63.5	8%	0.075	32%	0.318	C	S	.	.	H	α-helix	trans	-100.5	-20.5	-165.1	-59	-34.9	0	0	0	113.7	L253 M416 Q417 M422 D442 K443	L253-N420 WeakPolarHBondContact CD2-OD1 3.23Å; M416-N420 WeakPolarHBondContact O-CB 3.07Å; M416-N420 PolarHBondContact O-N 2.88Å; M416-N420 PolarHBondContact O-ND2 3.43Å; Q417-N420 PolarHBondContact O-N 3.16Å; N420-M422 PolarHBondContact O-N 2.97Å; N420-D442 CarbonylContact C-O 3.6Å; N420-K443 PolarHBondContact ND2-O 3.33Å
421	Q	97.1	Very high	96.4	Very high	50 Å²	50	70.3 Å²	70.3	23%	0.234	36%	0.355	C	S	.	.			trans	-57.4	134.4	-172.2	65.2	-177.3	18.3	0	0	113.3	K264 Q417 H423 D442	K264-Q421 PolarHBondContact NZ-O 3.13Å; Q417-Q421 WeakPolarHBondContact O-CB 3.25Å; Q417-Q421 WeakPolarHBondContact O-CG 3.42Å; Q417-Q421 PolarHBondContact O-N 3.01Å; Q421-H423 VanDerWaalsContact CD-CE1 3.48Å; Q421-H423 PolarHBondContact NE2-NE2 3.35Å; Q421-H423 PolarHBondContact OE1-CE1 3.25Å; Q421-D442 VanDerWaalsContact CA-CG 3.43Å; Q421-D442 WeakPolarHBondContact CA-O 3.37Å; Q421-D442 WeakPolarHBondContact CA-OD1 3.46Å; Q421-D442 WeakPolarHBondContact CA-OD2 3.41Å; Q421-D442 HydrophobicContact CB-CB 4.42Å; Q421-D442 WeakPolarHBondContact CB-OD2 3.22Å; Q421-D442 PolarHBondContact N-O 2.97Å
422	M	97.1	Very high	96.2	Very high	133 Å²	133	65.9 Å²	65.9	66%	0.655	34%	0.339	S	S	*	.			trans	-120.4	-4.4	173.3	-66.7	-71.4	107.4	0	0	112.4	N420 A424 D442	N420-M422 PolarHBondContact O-N 2.97Å; M422-A424 VanDerWaalsContact C-N 3.3Å; M422-A424 PolarHBondContact O-N 3.44Å; M422-D442 PolarHBondContact N-OD1 3.38Å; M422-D442 PolarHBondContact N-OD2 3.42Å
423	H	94.3	Very high	96.1	Very high	103 Å²	103	70.9 Å²	70.9	48%	0.477	36%	0.362	S	S	.	.			trans	54.6	42.3	177.8	-59.2	-66.6	0	0	0	113.5	Q421 C425 D442	Q421-H423 VanDerWaalsContact CD-CE1 3.48Å; Q421-H423 PolarHBondContact NE2-NE2 3.35Å; Q421-H423 PolarHBondContact OE1-CE1 3.25Å; H423-C425 PolarHBondContact O-N 2.93Å; H423-D442 PolarHBondContact N-OD2 3.02Å; H423-D442 VanDerWaalsContact N-OD2 3.11Å; H423-D442 IonicContact ND1-OD2 3.38Å
424	A	94.6	Very high	96.1	Very high	24 Å²	24	67.1 Å²	67.1	20%	0.198	34%	0.343	C	S	.	.			trans	-63.1	106.5	179.9	0	0	0	0	0	111.2	M422 Y426 L427 F428	M422-A424 VanDerWaalsContact C-N 3.3Å; M422-A424 PolarHBondContact O-N 3.44Å; A424-Y426 HydrophobicContact CB-CD1 4.1Å; A424-Y426 HydrophobicContact CB-CE1 3.69Å; A424-Y426 PolarHBondContact O-N 3.02Å; A424-Y426 VanDerWaalsContact O-N 3.07Å; A424-L427 PolarHBondContact O-N 3.48Å; A424-F428 HydrophobicContact CB-CD2 4.2Å; A424-F428 HydrophobicContact CB-CE2 4.42Å; A424-F428 PolarHBondContact O-N 3.2Å
425	C	93.6	Very high	96	Very high	109 Å²	109	69.7 Å²	69.7	74%	0.736	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-21	-171.1	-53.4	0	0	0	0	114.5	H423 L427	H423-C425 PolarHBondContact O-N 2.93Å; C425-L427 VanDerWaalsContact C-N 3.3Å
426	Y	92.8	Very high	95.9	Very high	165 Å²	165	71.2 Å²	71.2	65%	0.647	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-14.1	178.1	70.1	-97.9	0	0	0	113.5	A424 Q429	A424-Y426 HydrophobicContact CB-CD1 4.1Å; A424-Y426 HydrophobicContact CB-CE1 3.69Å; A424-Y426 PolarHBondContact O-N 3.02Å; A424-Y426 VanDerWaalsContact O-N 3.07Å; Y426-Q429 VanDerWaalsContact C-NE2 3.26Å; Y426-Q429 PolarHBondContact O-NE2 2.92Å
427	L	94.5	Very high	95.7	Very high	21 Å²	21	75.3 Å²	75.3	11%	0.11	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.9	-36.7	-173.1	-167.4	59.5	0	0	0	113.4	F206 T207 A424 C425 Q429 K432	F206-L427 HydrophobicContact CB-CD2 4.23Å; F206-L427 HydrophobicContact CD1-CD1 4.35Å; F206-L427 HydrophobicContact CD1-CD2 4.41Å; F206-L427 HydrophobicContact CD2-CD1 3.66Å; F206-L427 HydrophobicContact CD2-CG 4.37Å; F206-L427 HydrophobicContact CE1-CD1 4.35Å; F206-L427 HydrophobicContact CE2-CD1 3.67Å; F206-L427 HydrophobicContact CG-CD1 4.06Å; F206-L427 HydrophobicContact CG-CD2 4.18Å; F206-L427 HydrophobicContact CZ-CD1 4.04Å; T207-L427 HydrophobicContact CG2-CD1 4.39Å; T207-L427 HydrophobicContact CG2-CG 4.49Å; A424-L427 PolarHBondContact O-N 3.48Å; C425-L427 VanDerWaalsContact C-N 3.3Å; L427-Q429 PolarHBondContact O-OE1 3.24Å; L427-K432 PolarHBondContact O-NZ 3.29Å
428	F	94.4	Very high	95.7	Very high	25 Å²	25	76.6 Å²	76.6	11%	0.11	39%	0.388	C	S	.	.			trans	-112.4	56.9	-176.1	-51.4	-61.2	0	0	0	111	T207 A424 Q430 G441 D442	T207-F428 HydrophobicContact CG2-CD1 4.5Å; T207-F428 HydrophobicContact CG2-CE1 4.46Å; A424-F428 HydrophobicContact CB-CD2 4.2Å; A424-F428 HydrophobicContact CB-CE2 4.42Å; A424-F428 PolarHBondContact O-N 3.2Å; F428-Q430 PolarHBondContact O-N 2.97Å; F428-Q430 PolarHBondContact O-NE2 3.46Å; F428-G441 VanDerWaalsContact CZ-C 3.49Å; F428-D442 HydrophobicContact CD1-CB 4.32Å; F428-D442 HydrophobicContact CD2-CB 3.83Å; F428-D442 HydrophobicContact CE1-CB 4.08Å; F428-D442 HydrophobicContact CE2-CB 3.55Å; F428-D442 WeakPolarHBondContact CE2-OD1 3.42Å; F428-D442 HydrophobicContact CG-CB 4.21Å; F428-D442 HydrophobicContact CZ-CB 3.7Å; F428-D442 VanDerWaalsContact CZ-N 3.29Å
429	Q	95	Very high	95.6	Very high	67 Å²	67	74.8 Å²	74.8	31%	0.313	38%	0.375	S	S	.	.			trans	-58.6	131.7	174.6	-62.1	84.1	-4.6	0	0	110.3	Y426 L427 D431 K432 L436	Y426-Q429 VanDerWaalsContact C-NE2 3.26Å; Y426-Q429 PolarHBondContact O-NE2 2.92Å; L427-Q429 PolarHBondContact O-OE1 3.24Å; Q429-D431 VanDerWaalsContact C-N 3.33Å; Q429-D431 WeakPolarHBondContact CB-OD1 3.22Å; Q429-K432 HydrophobicContact CB-CG 4.04Å; Q429-L436 WeakPolarHBondContact O-CD1 3.44Å; Q429-L436 WeakPolarHBondContact O-CD2 3.42Å
430	Q	94.6	Very high	95.6	Very high	146 Å²	146	75.3 Å²	75.3	68%	0.682	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-4.4	-175	-62.1	-59.2	-63.1	0	0	113.7	F428 L436	F428-Q430 PolarHBondContact O-N 2.97Å; F428-Q430 PolarHBondContact O-NE2 3.46Å; Q430-L436 VanDerWaalsContact CA-CD1 3.49Å; Q430-L436 HydrophobicContact CB-CD1 4.44Å; Q430-L436 WeakPolarHBondContact O-CD1 3.32Å
431	D	94.5	Very high	95.5	Very high	144 Å²	144	75 Å²	75	77%	0.77	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.6	18.1	-174.1	59.9	-27	0	0	0	113.1	Q429	Q429-D431 VanDerWaalsContact C-N 3.33Å; Q429-D431 WeakPolarHBondContact CB-OD1 3.22Å
432	K	95.4	Very high	95.5	Very high	32 Å²	32	73.2 Å²	73.2	14%	0.139	37%	0.369	C	S	.	.			trans	-64.5	155.6	172.7	-55.7	-176.8	-175.7	174.5	0	111.1	E209 L427 Q429 Y434 L436 D439	E209-K432 IonicContact OE2-NZ 3.94Å; L427-K432 PolarHBondContact O-NZ 3.29Å; Q429-K432 HydrophobicContact CB-CG 4.04Å; K432-Y434 HydrophobicContact CB-CD1 4.11Å; K432-Y434 HydrophobicContact CB-CE1 3.91Å; K432-Y434 HydrophobicContact CD-CE1 3.59Å; K432-Y434 HydrophobicContact CD-CE2 4.49Å; K432-Y434 VanDerWaalsContact CD-OH 3.26Å; K432-Y434 WeakPolarHBondContact CD-OH 3.46Å; K432-Y434 HydrophobicContact CG-CE1 4.35Å; K432-Y434 PolarHBondContact NZ-OH 2.68Å; K432-Y434 PolarHBondContact O-N 2.89Å; K432-L436 HydrophobicContact CB-CD2 3.71Å; K432-L436 HydrophobicContact CD-CD2 3.72Å; K432-L436 HydrophobicContact CG-CD2 3.88Å; K432-D439 IonicContact NZ-OD2 3.16Å; K432-D439 PolarHBondContact NZ-OD2 3.38Å
433	H	95.6	Very high	95.5	Very high	178 Å²	178	68 Å²	68	82%	0.824	34%	0.343	S	S	*	.	S	Bend	trans	-83.2	12.3	-173.6	61.3	-86.1	0	0	0	114.3
434	Y	96.9	Very high	95.7	Very high	38 Å²	38	63.5 Å²	63.5	15%	0.149	32%	0.324	C	S	.	.	S	Bend	trans	-135	170.2	-179.9	66.3	-98.7	0	0	0	110.9	Y208 E209 K432 L436 D439	Y208-Y434 HydrophobicContact CD1-CD1 4.4Å; Y208-Y434 AromaticContact CD1-CD2 3.87Å; Y208-Y434 HydrophobicContact CD1-CD2 3.87Å; Y208-Y434 HydrophobicContact CD1-CE1 4.49Å; Y208-Y434 HydrophobicContact CD1-CE2 4.01Å; Y208-Y434 HydrophobicContact CD1-CG 4.1Å; Y208-Y434 HydrophobicContact CG-CD2 4.38Å; Y208-Y434 HydrophobicContact CG-CE2 4.25Å; E209-Y434 HydrophobicContact CB-CE1 3.96Å; E209-Y434 HydrophobicContact CG-CE1 4.47Å; E209-Y434 PolarHBondContact N-OH 2.84Å; K432-Y434 HydrophobicContact CB-CD1 4.11Å; K432-Y434 HydrophobicContact CB-CE1 3.91Å; K432-Y434 HydrophobicContact CD-CE1 3.59Å; K432-Y434 HydrophobicContact CD-CE2 4.49Å; K432-Y434 VanDerWaalsContact CD-OH 3.26Å; K432-Y434 WeakPolarHBondContact CD-OH 3.46Å; K432-Y434 HydrophobicContact CG-CE1 4.35Å; K432-Y434 PolarHBondContact NZ-OH 2.68Å; K432-Y434 PolarHBondContact O-N 2.89Å; Y434-L436 HydrophobicContact CE2-CD2 4.19Å; Y434-L436 PolarHBondContact O-N 3.1Å; Y434-L436 VanDerWaalsContact O-N 3.14Å; Y434-D439 WeakPolarHBondContact CE2-OD1 3.15Å; Y434-D439 PolarHBondContact OH-OD1 3.41Å; Y434-D439 PolarHBondContact OH-OD2 3.29Å
435	D	96.9	Very high	95.8	Very high	89 Å²	89	66.6 Å²	66.6	48%	0.476	34%	0.336	S	S	.	.			trans	-67.2	109.9	177.8	178.1	11.5	0	0	0	111.9	S437 Y438	D435-S437 PolarHBondContact O-N 3.04Å; D435-S437 VanDerWaalsContact O-N 3.16Å; D435-S437 VanDerWaalsContact OD1-CB 3.25Å; D435-S437 WeakPolarHBondContact OD1-CB 3.15Å; D435-S437 PolarHBondContact OD1-N 2.79Å; D435-S437 PolarHBondContact OD1-OG 3.42Å; D435-S437 VanDerWaalsContact OD1-OG 3.1Å; D435-S437 PolarHBondContact OD2-OG 3Å; D435-Y438 HydrophobicContact CB-CD2 3.96Å; D435-Y438 HydrophobicContact CB-CE2 4.08Å; D435-Y438 WeakPolarHBondContact O-CD2 3.32Å; D435-Y438 PolarHBondContact O-N 3.5Å
436	L	94.8	Very high	96	Very high	42 Å²	42	64 Å²	64	22%	0.22	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-66.8	-12.3	-178.8	-63.4	177.2	0	0	0	113.9	Q429 Q430 K432 Y434 Y438 D439	Q429-L436 WeakPolarHBondContact O-CD1 3.44Å; Q429-L436 WeakPolarHBondContact O-CD2 3.42Å; Q430-L436 VanDerWaalsContact CA-CD1 3.49Å; Q430-L436 HydrophobicContact CB-CD1 4.44Å; Q430-L436 WeakPolarHBondContact O-CD1 3.32Å; K432-L436 HydrophobicContact CB-CD2 3.71Å; K432-L436 HydrophobicContact CD-CD2 3.72Å; K432-L436 HydrophobicContact CG-CD2 3.88Å; Y434-L436 HydrophobicContact CE2-CD2 4.19Å; Y434-L436 PolarHBondContact O-N 3.1Å; Y434-L436 VanDerWaalsContact O-N 3.14Å; L436-Y438 PolarHBondContact O-N 3.26Å; L436-Y438 VanDerWaalsContact O-N 3.09Å; L436-D439 WeakPolarHBondContact O-CB 3.49Å; L436-D439 PolarHBondContact O-N 3.13Å
437	S	94.9	Very high	96.2	Very high	86 Å²	86	59.5 Å²	59.5	60%	0.601	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-60.6	-18.2	173.9	81.5	0	0	0	0	113.1	D435	D435-S437 PolarHBondContact O-N 3.04Å; D435-S437 VanDerWaalsContact O-N 3.16Å; D435-S437 VanDerWaalsContact OD1-CB 3.25Å; D435-S437 WeakPolarHBondContact OD1-CB 3.15Å; D435-S437 PolarHBondContact OD1-N 2.79Å; D435-S437 PolarHBondContact OD1-OG 3.42Å; D435-S437 VanDerWaalsContact OD1-OG 3.1Å; D435-S437 PolarHBondContact OD2-OG 3Å
438	Y	96.9	Very high	96.3	Very high	83 Å²	83	60.6 Å²	60.6	33%	0.325	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-84.2	-10.6	173.7	-66.2	-73	0	0	0	114.1	V215 L216 D435 L436 T440	V215-Y438 VanDerWaalsContact CG1-O 3.25Å; V215-Y438 WeakPolarHBondContact CG1-O 3.38Å; L216-Y438 HydrophobicContact CD2-CD1 3.9Å; L216-Y438 HydrophobicContact CD2-CE1 3.67Å; D435-Y438 HydrophobicContact CB-CD2 3.96Å; D435-Y438 HydrophobicContact CB-CE2 4.08Å; D435-Y438 WeakPolarHBondContact O-CD2 3.32Å; D435-Y438 PolarHBondContact O-N 3.5Å; L436-Y438 PolarHBondContact O-N 3.26Å; L436-Y438 VanDerWaalsContact O-N 3.09Å; Y438-T440 PolarHBondContact O-N 3.45Å; Y438-T440 VanDerWaalsContact O-N 3.16Å
439	D	97.8	Very high	96.5	Very high	14 Å²	14	59.8 Å²	59.8	8%	0.075	32%	0.318	C	S	.	.			trans	-79.3	99	173.6	-75.3	-2.4	0	0	0	109.8	T207 Y208 K432 Y434 L436	T207-D439 VanDerWaalsContact CA-OD1 3.26Å; T207-D439 WeakPolarHBondContact CA-OD1 3.29Å; T207-D439 VanDerWaalsContact CB-OD1 3.3Å; T207-D439 WeakPolarHBondContact CB-OD1 3.29Å; T207-D439 HydrophobicContact CG2-CB 4.27Å; T207-D439 WeakPolarHBondContact CG2-OD2 3.41Å; Y208-D439 PolarHBondContact N-OD1 3.01Å; K432-D439 IonicContact NZ-OD2 3.16Å; K432-D439 PolarHBondContact NZ-OD2 3.38Å; Y434-D439 WeakPolarHBondContact CE2-OD1 3.15Å; Y434-D439 PolarHBondContact OH-OD1 3.41Å; Y434-D439 PolarHBondContact OH-OD2 3.29Å; L436-D439 WeakPolarHBondContact O-CB 3.49Å; L436-D439 PolarHBondContact O-N 3.13Å
440	T	97.6	Very high	96.7	Very high	19 Å²	19	61 Å²	61	12%	0.117	32%	0.323	C	S	.	.			trans	-92.7	1.3	-171.4	63.8	0	0	0	0	114.9	M205 F206 Y438 D442 K443 R449	M205-T440 PolarHBondContact O-OG1 3.26Å; F206-T440 PolarHBondContact O-N 3.07Å; Y438-T440 PolarHBondContact O-N 3.45Å; Y438-T440 VanDerWaalsContact O-N 3.16Å; T440-D442 PolarHBondContact O-N 3.22Å; T440-K443 WeakPolarHBondContact O-CG 3.4Å; T440-R449 PolarHBondContact OG1-NH2 3.02Å
441	G	97.1	Very high	96.9	Very high	6 Å²	6	54.2 Å²	54.2	6%	0.062	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-64	-39.4	-175.2	0	0	0	0	0	113.3	F206 F428 K443 A444	F206-G441 WeakPolarHBondContact O-CA 3.44Å; F206-G441 PolarHBondContact O-N 2.87Å; F428-G441 VanDerWaalsContact CZ-C 3.49Å; G441-K443 VanDerWaalsContact C-N 3.27Å; G441-K443 PolarHBondContact O-N 3.18Å; G441-A444 VanDerWaalsContact O-CB 3.29Å; G441-A444 WeakPolarHBondContact O-CB 3.21Å; G441-A444 PolarHBondContact O-N 3.14Å
442	D	95.9	Very high	97.1	Very high	13 Å²	13	47.9 Å²	47.9	7%	0.07	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-81.9	-4.5	-171.2	-147	27.1	0	0	0	113.4	N420 Q421 M422 H423 F428 T440	N420-D442 CarbonylContact C-O 3.6Å; Q421-D442 VanDerWaalsContact CA-CG 3.43Å; Q421-D442 WeakPolarHBondContact CA-O 3.37Å; Q421-D442 WeakPolarHBondContact CA-OD1 3.46Å; Q421-D442 WeakPolarHBondContact CA-OD2 3.41Å; Q421-D442 HydrophobicContact CB-CB 4.42Å; Q421-D442 WeakPolarHBondContact CB-OD2 3.22Å; Q421-D442 PolarHBondContact N-O 2.97Å; M422-D442 PolarHBondContact N-OD1 3.38Å; M422-D442 PolarHBondContact N-OD2 3.42Å; H423-D442 PolarHBondContact N-OD2 3.02Å; H423-D442 VanDerWaalsContact N-OD2 3.11Å; H423-D442 IonicContact ND1-OD2 3.38Å; F428-D442 HydrophobicContact CD1-CB 4.32Å; F428-D442 HydrophobicContact CD2-CB 3.83Å; F428-D442 HydrophobicContact CE1-CB 4.08Å; F428-D442 HydrophobicContact CE2-CB 3.55Å; F428-D442 WeakPolarHBondContact CE2-OD1 3.42Å; F428-D442 HydrophobicContact CG-CB 4.21Å; F428-D442 HydrophobicContact CZ-CB 3.7Å; F428-D442 VanDerWaalsContact CZ-N 3.29Å; T440-D442 PolarHBondContact O-N 3.22Å
443	K	97.7	Very high	97.2	Very high	24 Å²	24	46.3 Å²	46.3	10%	0.104	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-90.6	-0.2	164.5	70.3	172.2	-168.3	-174.4	0	113.3	D237 G238 I239 M416 Q417 N420 T440 G441	D237-K443 IonicContact OD1-NZ 2.64Å; D237-K443 PolarHBondContact OD1-NZ 3.19Å; G238-K443 WeakPolarHBondContact O-CE 3.36Å; G238-K443 PolarHBondContact O-NZ 2.97Å; I239-K443 HydrophobicContact CD1-CG 4.34Å; M416-K443 HydrophobicContact CB-CB 3.88Å; M416-K443 HydrophobicContact CB-CD 4.41Å; Q417-K443 HydrophobicContact CB-CB 4.16Å; N420-K443 PolarHBondContact ND2-O 3.33Å; T440-K443 WeakPolarHBondContact O-CG 3.4Å; G441-K443 VanDerWaalsContact C-N 3.27Å; G441-K443 PolarHBondContact O-N 3.18Å
444	A	97.8	Very high	97.4	Very high	9 Å²	9	38.9 Å²	38.9	7%	0.074	22%	0.216	C	C	.	.	S	Bend	trans	-101.5	155.1	176.9	0	0	0	0	0	112.1	I239 Y250 G441 Q446	I239-A444 HydrophobicContact CD1-CB 3.47Å; I239-A444 VanDerWaalsContact CD1-CB 3.47Å; Y250-A444 WeakPolarHBondContact OH-CA 3.46Å; G441-A444 VanDerWaalsContact O-CB 3.29Å; G441-A444 WeakPolarHBondContact O-CB 3.21Å; G441-A444 PolarHBondContact O-N 3.14Å; A444-Q446 VanDerWaalsContact C-N 3.33Å
445	L	96.7	Very high	97.5	Very high	88 Å²	88	37.1 Å²	37.1	46%	0.461	21%	0.21	S	C	.	.	S	Bend	trans	-76.4	-21	162.8	-71	173.2	0	0	0	112.5	M249 Y250 L253	M249-L445 HydrophobicContact CE-CD1 3.81Å; Y250-L445 HydrophobicContact CD1-CD1 4.04Å; Y250-L445 HydrophobicContact CD1-CG 4.14Å; Y250-L445 HydrophobicContact CE1-CB 4.03Å; Y250-L445 HydrophobicContact CE1-CD1 3.84Å; Y250-L445 HydrophobicContact CE1-CG 3.54Å; Y250-L445 HydrophobicContact CE2-CD1 4.35Å; Y250-L445 HydrophobicContact CG-CD1 4.39Å; Y250-L445 PolarHBondContact OH-N 3.33Å; L253-L445 HydrophobicContact CD2-CD1 3.93Å; L253-L445 HydrophobicContact CD2-CD2 3.75Å; L253-L445 HydrophobicContact CD2-CG 4.11Å
446	Q	97.8	Very high	97.6	Very high	55 Å²	55	32.9 Å²	32.9	26%	0.257	19%	0.187	S	C	.	.			trans	-89.7	141.2	178.3	-67.3	170	-83.9	0	0	110	A444	A444-Q446 VanDerWaalsContact C-N 3.33Å
447	C	97.2	Very high	97.8	Very high	71 Å²	71	34 Å²	34	48%	0.48	19%	0.188	S	C	.	.	S	Bend	trans	-79.5	-75.8	164.1	-178.2	0	0	0	0	109.5
448	G	97.6	Very high	97.9	Very high	43 Å²	43	32.2 Å²	32.2	44%	0.443	17%	0.172	S	C	.	.	S	Bend	trans	-73	127.9	171.9	0	0	0	0	0	111.3	N204	N204-G448 VanDerWaalsContact ND2-CA 3.31Å; N204-G448 WeakPolarHBondContact ND2-CA 3.4Å; N204-G448 WeakPolarHBondContact OD1-CA 3.35Å
449	R	98.3	Very high	98	Very high	9 Å²	9	28.3 Å²	28.3	3%	0.034	16%	0.156	C	C	.	.			trans	-134.7	125.8	-178.1	-174.4	169.2	68.4	94.4	-11.8	111.2	N204 M205 E218 T440	N204-R449 PolarHBondContact OD1-N 2.96Å; N204-R449 PolarHBondContact OD1-O 2.86Å; M205-R449 HydrophobicContact CB-CB 4.11Å; M205-R449 HydrophobicContact CB-CG 4.19Å; M205-R449 PolarHBondContact N-O 3.46Å; M205-R449 PolarHBondContact O-NH2 3.26Å; E218-R449 IonicContact OE1-CZ 3.63Å; E218-R449 IonicContact OE1-NH1 3.71Å; E218-R449 PolarHBondContact OE1-NH1 3.45Å; E218-R449 IonicContact OE1-NH2 3.81Å; E218-R449 PolarHBondContact OE1-NH2 3.44Å; E218-R449 IonicContact OE2-CZ 2.83Å; E218-R449 IonicContact OE2-NH1 2.69Å; E218-R449 PolarHBondContact OE2-NH1 3.26Å; E218-R449 IonicContact OE2-NH2 2.82Å; T440-R449 PolarHBondContact OG1-NH2 3.02Å
450	H	98.6	Very high	98.1	Very high	92 Å²	92	29 Å²	29	43%	0.426	16%	0.158	S	C	.	.			trans	-63.9	150.6	177.6	-179	-99.9	0	0	0	111.9	D452	H450-D452 IonicContact CE1-OD1 3.32Å; H450-D452 PolarHBondContact CE1-OD1 2.96Å; H450-D452 IonicContact CG-OD1 3.69Å; H450-D452 IonicContact ND1-OD1 2.8Å; H450-D452 PolarHBondContact ND1-OD1 3.08Å; H450-D452 PolarHBondContact O-N 2.85Å; H450-D452 VanDerWaalsContact O-N 3.12Å
451	V	98.8	Very high	98.1	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.018	19%	0.185	C	C	.	.			trans	-82	81.8	177	-178.8	0	0	0	0	109.7	T198 T203 M205 F214 I453 F454	T198-V451 HydrophobicContact CG2-CB 3.67Å; T198-V451 HydrophobicContact CG2-CG1 4.07Å; T198-V451 WeakPolarHBondContact CG2-O 3.49Å; T203-V451 HydrophobicContact CG2-CG2 4.07Å; M205-V451 HydrophobicContact CG-CB 4.29Å; M205-V451 HydrophobicContact CG-CG2 3.8Å; M205-V451 HydrophobicContact SD-CB 4.3Å; M205-V451 HydrophobicContact SD-CG1 4.21Å; M205-V451 HydrophobicContact SD-CG2 3.83Å; F214-V451 HydrophobicContact CB-CG1 3.83Å; F214-V451 HydrophobicContact CB-CG2 4.49Å; F214-V451 HydrophobicContact CD1-CG1 3.55Å; F214-V451 HydrophobicContact CD2-CG1 3.93Å; F214-V451 HydrophobicContact CD2-CG2 3.94Å; F214-V451 HydrophobicContact CE1-CG1 4.03Å; F214-V451 HydrophobicContact CE2-CG1 4.37Å; F214-V451 HydrophobicContact CE2-CG2 4.41Å; F214-V451 HydrophobicContact CG-CG1 3.49Å; F214-V451 VanDerWaalsContact CG-CG1 3.49Å; F214-V451 HydrophobicContact CG-CG2 4.25Å; F214-V451 HydrophobicContact CZ-CG1 4.41Å; V451-I453 VanDerWaalsContact C-N 3.3Å; V451-I453 HydrophobicContact CG1-CG2 3.96Å; V451-F454 HydrophobicContact CG1-CB 4.17Å
452	D	98.6	Very high	98.2	Very high	11 Å²	11	39.4 Å²	39.4	6%	0.059	21%	0.207	C	C	.	.			trans	-80.1	-14.9	176.1	-74.4	-21.9	0	0	0	113.4	F240 Q404 H450 K455	F240-D452 HydrophobicContact CD1-CB 4.37Å; Q404-D452 VanDerWaalsContact O-CG 3.28Å; H450-D452 IonicContact CE1-OD1 3.32Å; H450-D452 PolarHBondContact CE1-OD1 2.96Å; H450-D452 IonicContact CG-OD1 3.69Å; H450-D452 IonicContact ND1-OD1 2.8Å; H450-D452 PolarHBondContact ND1-OD1 3.08Å; H450-D452 PolarHBondContact O-N 2.85Å; H450-D452 VanDerWaalsContact O-N 3.12Å; D452-K455 VanDerWaalsContact O-CG 3.26Å; D452-K455 WeakPolarHBondContact O-CG 3.36Å
453	I	98.7	Very high	98.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-73.6	-37.3	-170.1	179	62.5	0	0	0	113.2	M205 F214 L217 E218 T221 F240 V451 K455 L456 W457	M205-I453 HydrophobicContact CE-CG2 4.12Å; M205-I453 HydrophobicContact SD-CG2 4.35Å; F214-I453 HydrophobicContact CB-CG2 4.21Å; L217-I453 HydrophobicContact CB-CG1 4.04Å; E218-I453 HydrophobicContact CB-CB 4.17Å; E218-I453 HydrophobicContact CB-CG1 4.02Å; E218-I453 HydrophobicContact CB-CG2 4.22Å; T221-I453 VanDerWaalsContact CB-CD1 3.47Å; T221-I453 HydrophobicContact CG2-CD1 3.67Å; T221-I453 WeakPolarHBondContact OG1-CD1 3.43Å; F240-I453 HydrophobicContact CE2-CD1 3.62Å; F240-I453 HydrophobicContact CZ-CD1 3.77Å; V451-I453 VanDerWaalsContact C-N 3.3Å; V451-I453 HydrophobicContact CG1-CG2 3.96Å; I453-K455 VanDerWaalsContact C-N 3.33Å; I453-K455 PolarHBondContact O-N 3.13Å; I453-L456 PolarHBondContact O-N 3.08Å; I453-L456 VanDerWaalsContact O-N 3.16Å; I453-W457 HydrophobicContact CG1-CB 4.5Å; I453-W457 WeakPolarHBondContact O-CB 3.22Å; I453-W457 PolarHBondContact O-N 2.85Å
454	F	98.8	Very high	98.4	Very high	21 Å²	21	41.7 Å²	41.7	9%	0.092	22%	0.224	C	C	.	.	H	α-helix	trans	-62.4	-41.7	-167.2	-176.1	-110.1	0	0	0	112	A194 L197 F214 L217 V451 W457 L458	A194-F454 HydrophobicContact CB-CD1 3.67Å; A194-F454 HydrophobicContact CB-CE1 3.87Å; L197-F454 HydrophobicContact CB-CE1 3.95Å; L197-F454 HydrophobicContact CD1-CE1 3.72Å; L197-F454 HydrophobicContact CD1-CZ 3.8Å; L197-F454 HydrophobicContact CD2-CD1 3.9Å; L197-F454 HydrophobicContact CD2-CE1 3.54Å; L197-F454 HydrophobicContact CD2-CZ 3.92Å; L197-F454 HydrophobicContact CG-CE1 3.93Å; L197-F454 HydrophobicContact CG-CZ 4.39Å; F214-F454 HydrophobicContact CD1-CB 4Å; F214-F454 HydrophobicContact CD1-CD2 4.21Å; F214-F454 HydrophobicContact CD1-CG 4.35Å; F214-F454 HydrophobicContact CE1-CB 3.84Å; F214-F454 AromaticContact CE1-CD2 3.8Å; F214-F454 HydrophobicContact CE1-CD2 3.8Å; F214-F454 AromaticContact CE1-CG 3.83Å; F214-F454 HydrophobicContact CE1-CG 3.83Å; L217-F454 HydrophobicContact CD1-CD2 3.73Å; L217-F454 HydrophobicContact CD1-CE2 4.27Å; V451-F454 HydrophobicContact CG1-CB 4.17Å; F454-W457 HydrophobicContact CD2-CE3 4.37Å; F454-W457 HydrophobicContact CE2-CE3 4.17Å; F454-W457 HydrophobicContact CE2-CZ3 4.21Å; F454-W457 PolarHBondContact O-N 2.93Å; F454-L458 HydrophobicContact CE1-CD2 4.06Å; F454-L458 HydrophobicContact CZ-CD1 4.39Å; F454-L458 HydrophobicContact CZ-CD2 4.17Å; F454-L458 VanDerWaalsContact O-CB 3.28Å; F454-L458 WeakPolarHBondContact O-CB 3.42Å; F454-L458 PolarHBondContact O-N 3.45Å
455	K	98.7	Very high	98.4	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.009	24%	0.235	C	C	.	.	H	α-helix	trans	-60.5	-45.3	174.7	53.8	179.3	154.8	-153.9	0	113.9	A194 D195 V401 P402 L403 Q404 D452 I453 M459	A194-K455 HydrophobicContact CB-CB 3.71Å; D195-K455 VanDerWaalsContact OD1-CD 3.29Å; D195-K455 WeakPolarHBondContact OD1-CD 3.44Å; D195-K455 WeakPolarHBondContact OD1-CE 3.5Å; D195-K455 IonicContact OD1-NZ 2.86Å; D195-K455 PolarHBondContact OD1-NZ 2.95Å; D195-K455 IonicContact OD2-NZ 2.73Å; V401-K455 HydrophobicContact CG1-CB 4.27Å; V401-K455 HydrophobicContact CG1-CD 3.67Å; V401-K455 HydrophobicContact CG1-CG 3.69Å; P402-K455 HydrophobicContact CB-CD 4.04Å; P402-K455 HydrophobicContact CG-CD 4.39Å; P402-K455 WeakPolarHBondContact O-CD 3.36Å; P402-K455 WeakPolarHBondContact O-CE 3.23Å; P402-K455 PolarHBondContact O-NZ 3.38Å; L403-K455 PolarHBondContact O-NZ 2.89Å; Q404-K455 WeakPolarHBondContact O-CE 3.5Å; Q404-K455 PolarHBondContact O-NZ 3.34Å; Q404-K455 VanDerWaalsContact O-NZ 3.11Å; D452-K455 VanDerWaalsContact O-CG 3.26Å; D452-K455 WeakPolarHBondContact O-CG 3.36Å; I453-K455 VanDerWaalsContact C-N 3.33Å; I453-K455 PolarHBondContact O-N 3.13Å; K455-M459 VanDerWaalsContact O-CB 3.31Å; K455-M459 WeakPolarHBondContact O-CB 3.43Å; K455-M459 WeakPolarHBondContact O-CG 3.2Å; K455-M459 PolarHBondContact O-N 2.98Å
456	L	98.9	Very high	98.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63.9	-48.7	176.1	170.6	60.7	0	0	0	110.7	T221 M225 F240 P395 M399 V401 I453 L458 M459 W460	T221-L456 HydrophobicContact CG2-CD2 3.69Å; T221-L456 HydrophobicContact CG2-CG 4.16Å; M225-L456 HydrophobicContact SD-CD2 4.4Å; F240-L456 HydrophobicContact CE1-CD2 3.91Å; F240-L456 HydrophobicContact CZ-CD2 3.67Å; P395-L456 HydrophobicContact CB-CD1 3.91Å; P395-L456 HydrophobicContact CB-CD2 4.25Å; P395-L456 HydrophobicContact CG-CD1 4.24Å; P395-L456 HydrophobicContact CG-CD2 3.84Å; M399-L456 HydrophobicContact CE-CD1 3.74Å; V401-L456 HydrophobicContact CG1-CB 4.42Å; V401-L456 HydrophobicContact CG2-CB 4.44Å; V401-L456 HydrophobicContact CG2-CD1 3.93Å; I453-L456 PolarHBondContact O-N 3.08Å; I453-L456 VanDerWaalsContact O-N 3.16Å; L456-L458 PolarHBondContact O-N 3.19Å; L456-M459 PolarHBondContact O-N 3.23Å; L456-W460 HydrophobicContact CD1-CE3 3.96Å; L456-W460 HydrophobicContact CD1-CZ3 4.43Å; L456-W460 HydrophobicContact CG-CE3 4.23Å; L456-W460 WeakPolarHBondContact O-CB 3.37Å; L456-W460 PolarHBondContact O-N 2.93Å
457	W	98.8	Very high	98.6	Very high	65 Å²	65	43.7 Å²	43.7	25%	0.246	24%	0.242	C	C	.	.	H	α-helix	trans	-60.9	-44.8	-178.2	178.1	88.4	0	0	0	111.5	L217 I453 F454 W460 R461	L217-W457 HydrophobicContact CB-CG 4.36Å; L217-W457 HydrophobicContact CD1-CD2 3.88Å; L217-W457 HydrophobicContact CD1-CE3 3.92Å; L217-W457 HydrophobicContact CD1-CG 4.13Å; L217-W457 HydrophobicContact CD1-CZ3 4.46Å; L217-W457 HydrophobicContact CD2-CD2 3.81Å; L217-W457 VanDerWaalsContact CD2-CE2 3.49Å; L217-W457 HydrophobicContact CD2-CE3 4.46Å; L217-W457 HydrophobicContact CD2-CG 4.05Å; L217-W457 HydrophobicContact CD2-CZ2 3.89Å; L217-W457 HydrophobicContact CG-CD2 4.36Å; L217-W457 HydrophobicContact CG-CG 4.4Å; I453-W457 HydrophobicContact CG1-CB 4.5Å; I453-W457 WeakPolarHBondContact O-CB 3.22Å; I453-W457 PolarHBondContact O-N 2.85Å; F454-W457 HydrophobicContact CD2-CE3 4.37Å; F454-W457 HydrophobicContact CE2-CE3 4.17Å; F454-W457 HydrophobicContact CE2-CZ3 4.21Å; F454-W457 PolarHBondContact O-N 2.93Å; W457-W460 PolarHBondContact O-N 2.96Å; W457-R461 HydrophobicContact CD2-CG 3.88Å; W457-R461 HydrophobicContact CE3-CG 4.09Å; W457-R461 HydrophobicContact CH2-CG 3.83Å; W457-R461 HydrophobicContact CZ2-CG 3.59Å; W457-R461 HydrophobicContact CZ3-CG 4.05Å; W457-R461 VanDerWaalsContact O-CG 3.3Å; W457-R461 WeakPolarHBondContact O-CG 3.42Å; W457-R461 PolarHBondContact O-N 2.93Å
458	L	98.9	Very high	98.6	Very high	49 Å²	49	40.3 Å²	40.3	26%	0.257	22%	0.219	S	C	.	.	H	α-helix	trans	-67.5	-42.9	-179.4	-168	68.4	0	0	0	111.5	V190 A194 F454 L456 W460 R461 A462	V190-L458 HydrophobicContact CG1-CB 4.14Å; V190-L458 HydrophobicContact CG1-CD2 3.78Å; V190-L458 HydrophobicContact CG1-CG 3.58Å; A194-L458 HydrophobicContact CB-CB 4.29Å; A194-L458 HydrophobicContact CB-CD2 3.86Å; F454-L458 HydrophobicContact CE1-CD2 4.06Å; F454-L458 HydrophobicContact CZ-CD1 4.39Å; F454-L458 HydrophobicContact CZ-CD2 4.17Å; F454-L458 VanDerWaalsContact O-CB 3.28Å; F454-L458 WeakPolarHBondContact O-CB 3.42Å; F454-L458 PolarHBondContact O-N 3.45Å; L456-L458 PolarHBondContact O-N 3.19Å; L458-W460 VanDerWaalsContact C-N 3.3Å; L458-W460 PolarHBondContact O-N 3.33Å; L458-R461 WeakPolarHBondContact O-CB 3.43Å; L458-R461 PolarHBondContact O-N 3Å; L458-A462 WeakPolarHBondContact O-CB 3.47Å; L458-A462 PolarHBondContact O-N 3.49Å
459	M	98.9	Very high	98.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59.8	-41.7	173	-72.6	171.4	62.6	0	0	111.6	D188 V190 G191 M399 V401 K455 L456 A462 K463 F468	D188-M459 HydrophobicContact CB-CE 3.74Å; D188-M459 HydrophobicContact CB-SD 4.22Å; V190-M459 HydrophobicContact CB-CG 4.15Å; V190-M459 HydrophobicContact CG1-CG 4.14Å; G191-M459 VanDerWaalsContact CA-SD 3.54Å; M399-M459 WeakPolarHBondContact O-CE 3.49Å; V401-M459 HydrophobicContact CB-CE 4.34Å; V401-M459 HydrophobicContact CB-SD 4.1Å; V401-M459 HydrophobicContact CG1-SD 4.15Å; V401-M459 HydrophobicContact CG2-CE 3.77Å; V401-M459 HydrophobicContact CG2-SD 3.79Å; K455-M459 VanDerWaalsContact O-CB 3.31Å; K455-M459 WeakPolarHBondContact O-CB 3.43Å; K455-M459 WeakPolarHBondContact O-CG 3.2Å; K455-M459 PolarHBondContact O-N 2.98Å; L456-M459 PolarHBondContact O-N 3.23Å; M459-A462 PolarHBondContact O-N 2.85Å; M459-K463 WeakPolarHBondContact O-CB 3.3Å; M459-K463 WeakPolarHBondContact O-CG 3.34Å; M459-K463 PolarHBondContact O-N 3.04Å; M459-F468 HydrophobicContact CB-CZ 3.98Å; M459-F468 HydrophobicContact CE-CE1 4.15Å; M459-F468 HydrophobicContact CE-CZ 4.33Å
460	W	98.8	Very high	98.7	Very high	28 Å²	28	41.6 Å²	41.6	11%	0.106	22%	0.224	C	C	.	.	H	α-helix	trans	-66.3	-38.7	177.4	-150.8	-30.2	0	0	0	112	T221 K224 M225 I228 M374 L456 W457 L458 G464 T465 F468	T221-W460 HydrophobicContact CG2-CE3 4.15Å; T221-W460 HydrophobicContact CG2-CZ3 4.02Å; K224-W460 HydrophobicContact CG-CH2 4.03Å; K224-W460 HydrophobicContact CG-CZ2 3.88Å; M225-W460 HydrophobicContact CG-CH2 4.13Å; M225-W460 HydrophobicContact CG-CZ3 4.02Å; I228-W460 HydrophobicContact CD1-CH2 3.7Å; I228-W460 HydrophobicContact CD1-CZ2 3.52Å; M374-W460 HydrophobicContact CE-CD2 4.47Å; M374-W460 HydrophobicContact CE-CH2 4.06Å; M374-W460 HydrophobicContact CE-CZ2 3.49Å; M374-W460 VanDerWaalsContact CE-CZ2 3.49Å; M374-W460 HydrophobicContact SD-CH2 4.2Å; M374-W460 HydrophobicContact SD-CZ2 3.92Å; L456-W460 HydrophobicContact CD1-CE3 3.96Å; L456-W460 HydrophobicContact CD1-CZ3 4.43Å; L456-W460 HydrophobicContact CG-CE3 4.23Å; L456-W460 WeakPolarHBondContact O-CB 3.37Å; L456-W460 PolarHBondContact O-N 2.93Å; W457-W460 PolarHBondContact O-N 2.96Å; L458-W460 VanDerWaalsContact C-N 3.3Å; L458-W460 PolarHBondContact O-N 3.33Å; W460-G464 WeakPolarHBondContact O-CA 3.28Å; W460-G464 PolarHBondContact O-N 3.37Å; W460-T465 PolarHBondContact NE1-OG1 2.8Å; W460-F468 HydrophobicContact CB-CE2 3.86Å; W460-F468 HydrophobicContact CD2-CE2 4.17Å; W460-F468 HydrophobicContact CG-CD2 4.28Å; W460-F468 AromaticContact CG-CE2 3.79Å; W460-F468 HydrophobicContact CG-CE2 3.79Å
461	R	98.6	Very high	98.7	Very high	180 Å²	180	38 Å²	38	68%	0.679	21%	0.208	S	C	*	.	H	α-helix	trans	-62.4	-41.3	172.1	-74.7	-77.8	-61.5	-176.6	1.6	112.1	W457 L458	W457-R461 HydrophobicContact CD2-CG 3.88Å; W457-R461 HydrophobicContact CE3-CG 4.09Å; W457-R461 HydrophobicContact CH2-CG 3.83Å; W457-R461 HydrophobicContact CZ2-CG 3.59Å; W457-R461 HydrophobicContact CZ3-CG 4.05Å; W457-R461 VanDerWaalsContact O-CG 3.3Å; W457-R461 WeakPolarHBondContact O-CG 3.42Å; W457-R461 PolarHBondContact O-N 2.93Å; L458-R461 WeakPolarHBondContact O-CB 3.43Å; L458-R461 PolarHBondContact O-N 3Å
462	A	98.7	Very high	98.7	Very high	64 Å²	64	37.9 Å²	37.9	53%	0.529	21%	0.207	S	C	.	.	H	α-helix	trans	-73.7	-39.6	-178.4	0	0	0	0	0	113.4	V190 L458 M459	V190-A462 HydrophobicContact CB-CB 4.4Å; V190-A462 HydrophobicContact CG1-CB 3.97Å; V190-A462 HydrophobicContact CG2-CB 3.87Å; L458-A462 WeakPolarHBondContact O-CB 3.47Å; L458-A462 PolarHBondContact O-N 3.49Å; M459-A462 PolarHBondContact O-N 2.85Å
463	K	98.7	Very high	98.8	Very high	57 Å²	57	39 Å²	39	25%	0.248	21%	0.213	C	C	.	.	H	α-helix	trans	-92.6	-29	-176.3	-65.5	171.7	-173.3	-87.4	0	113.3	D188 M459 G467 F468	D188-K463 WeakPolarHBondContact OD2-CE 3.43Å; D188-K463 IonicContact OD2-NZ 3.43Å; D188-K463 PolarHBondContact OD2-NZ 3.26Å; M459-K463 WeakPolarHBondContact O-CB 3.3Å; M459-K463 WeakPolarHBondContact O-CG 3.34Å; M459-K463 PolarHBondContact O-N 3.04Å; K463-G467 VanDerWaalsContact O-CA 3.31Å; K463-G467 WeakPolarHBondContact O-CA 3.48Å; K463-G467 PolarHBondContact O-N 3.47Å; K463-F468 HydrophobicContact CD-CD1 3.87Å; K463-F468 HydrophobicContact CD-CE1 3.58Å; K463-F468 HydrophobicContact CD-CE2 4.47Å; K463-F468 HydrophobicContact CD-CG 4.41Å; K463-F468 HydrophobicContact CD-CZ 3.93Å
464	G	98.7	Very high	98.8	Very high	28 Å²	28	42.6 Å²	42.6	29%	0.289	23%	0.229	S	C	.	.	H	α-helix	trans	62.2	174.9	-159.6	0	0	0	0	0	112.5	W460 I466 G467 F468	W460-G464 WeakPolarHBondContact O-CA 3.28Å; W460-G464 PolarHBondContact O-N 3.37Å; G464-I466 PolarHBondContact O-N 3.13Å; G464-G467 PolarHBondContact O-N 3.2Å; G464-F468 PolarHBondContact O-N 3.43Å
465	T	98.6	Very high	98.8	Very high	50 Å²	50	41.7 Å²	41.7	31%	0.307	23%	0.225	S	C	.	.	H	α-helix	trans	-62.6	-33.3	172.8	-54.6	0	0	0	0	111.6	M374 W460 F468 E469	M374-T465 HydrophobicContact CE-CG2 4.1Å; M374-T465 HydrophobicContact SD-CG2 4.3Å; W460-T465 PolarHBondContact NE1-OG1 2.8Å; T465-F468 PolarHBondContact O-N 3.41Å; T465-E469 WeakPolarHBondContact O-CB 3.31Å; T465-E469 PolarHBondContact O-N 3.06Å
466	I	98.6	Very high	98.8	Very high	119 Å²	119	42.1 Å²	42.1	61%	0.61	23%	0.227	S	C	*	.	H	α-helix	trans	-65.1	-39.7	179.1	-61.8	172.1	0	0	0	111.4	G464 E469 A470	G464-I466 PolarHBondContact O-N 3.13Å; I466-E469 WeakPolarHBondContact O-CB 3.42Å; I466-E469 PolarHBondContact O-N 2.93Å; I466-A470 PolarHBondContact O-N 3.25Å
467	G	98.8	Very high	98.8	Very high	25 Å²	25	46.7 Å²	46.7	26%	0.258	25%	0.249	S	C	.	.	H	α-helix	trans	-67.1	-38.8	177.2	0	0	0	0	0	112.6	K463 G464 Q471	K463-G467 VanDerWaalsContact O-CA 3.31Å; K463-G467 WeakPolarHBondContact O-CA 3.48Å; K463-G467 PolarHBondContact O-N 3.47Å; G464-G467 PolarHBondContact O-N 3.2Å; G467-Q471 WeakPolarHBondContact O-CB 3.13Å; G467-Q471 PolarHBondContact O-N 3.5Å
468	F	98.8	Very high	98.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-65.8	-41.9	171.9	-77.9	-54.6	0	0	0	112.4	M374 M399 M459 W460 K463 G464 T465 Q471 I472	M374-F468 HydrophobicContact CB-CB 4.48Å; M374-F468 HydrophobicContact CE-CB 3.65Å; M374-F468 HydrophobicContact CE-CD2 3.45Å; M374-F468 VanDerWaalsContact CE-CD2 3.45Å; M374-F468 HydrophobicContact CE-CE2 4.33Å; M374-F468 HydrophobicContact CE-CG 3.85Å; M399-F468 HydrophobicContact CB-CD1 4.03Å; M399-F468 HydrophobicContact CB-CE1 3.81Å; M399-F468 HydrophobicContact CE-CD1 4.03Å; M399-F468 HydrophobicContact CE-CD2 3.79Å; M399-F468 HydrophobicContact CE-CE1 3.86Å; M399-F468 HydrophobicContact CE-CE2 3.55Å; M399-F468 HydrophobicContact CE-CG 4.01Å; M399-F468 HydrophobicContact CE-CZ 3.61Å; M399-F468 HydrophobicContact CG-CD1 4.2Å; M399-F468 HydrophobicContact CG-CE1 4.38Å; M459-F468 HydrophobicContact CB-CZ 3.98Å; M459-F468 HydrophobicContact CE-CE1 4.15Å; M459-F468 HydrophobicContact CE-CZ 4.33Å; W460-F468 HydrophobicContact CB-CE2 3.86Å; W460-F468 HydrophobicContact CD2-CE2 4.17Å; W460-F468 HydrophobicContact CG-CD2 4.28Å; W460-F468 AromaticContact CG-CE2 3.79Å; W460-F468 HydrophobicContact CG-CE2 3.79Å; K463-F468 HydrophobicContact CD-CD1 3.87Å; K463-F468 HydrophobicContact CD-CE1 3.58Å; K463-F468 HydrophobicContact CD-CE2 4.47Å; K463-F468 HydrophobicContact CD-CG 4.41Å; K463-F468 HydrophobicContact CD-CZ 3.93Å; G464-F468 PolarHBondContact O-N 3.43Å; T465-F468 PolarHBondContact O-N 3.41Å; F468-Q471 PolarHBondContact O-N 3.47Å; F468-I472 WeakPolarHBondContact O-CB 3.45Å; F468-I472 WeakPolarHBondContact O-CD1 3.27Å; F468-I472 VanDerWaalsContact O-CG1 3.25Å; F468-I472 WeakPolarHBondContact O-CG1 3.25Å; F468-I472 PolarHBondContact O-N 3.14Å
469	E	98.9	Very high	98.7	Very high	22 Å²	22	41.5 Å²	41.5	10%	0.103	23%	0.226	C	C	.	.	H	α-helix	trans	-53.4	-54.2	173.5	171.8	165.8	-131.2	0	0	111	M374 R376 T465 I466 Q471 I472 D473	M374-E469 WeakPolarHBondContact O-CB 3.33Å; R376-E469 WeakPolarHBondContact CB-OE1 3.19Å; R376-E469 VanDerWaalsContact CG-OE1 3.25Å; R376-E469 WeakPolarHBondContact CG-OE1 3.35Å; R376-E469 IonicContact CZ-OE1 2.9Å; R376-E469 IonicContact CZ-OE2 3.86Å; R376-E469 PolarHBondContact N-OE1 3.3Å; R376-E469 IonicContact NE-OE1 3.74Å; R376-E469 PolarHBondContact NE-OE1 2.83Å; R376-E469 IonicContact NE-OE2 3.92Å; R376-E469 PolarHBondContact NE-OE2 2.69Å; R376-E469 VanDerWaalsContact NE-OE2 3.16Å; R376-E469 IonicContact NH2-OE2 3.64Å; R376-E469 PolarHBondContact NH2-OE2 2.95Å; T465-E469 WeakPolarHBondContact O-CB 3.31Å; T465-E469 PolarHBondContact O-N 3.06Å; I466-E469 WeakPolarHBondContact O-CB 3.42Å; I466-E469 PolarHBondContact O-N 2.93Å; E469-Q471 VanDerWaalsContact C-N 3.35Å; E469-Q471 PolarHBondContact O-N 3.32Å; E469-I472 PolarHBondContact O-N 3.29Å; E469-D473 WeakPolarHBondContact O-CB 3.43Å; E469-D473 VanDerWaalsContact O-CG 3.28Å; E469-D473 PolarHBondContact O-N 2.84Å
470	A	98.8	Very high	98.7	Very high	58 Å²	58	45.3 Å²	45.3	48%	0.479	24%	0.244	S	C	.	.	H	α-helix	trans	-61.2	-40.2	179.6	0	0	0	0	0	113.1	I466 K474	I466-A470 PolarHBondContact O-N 3.25Å; A470-K474 WeakPolarHBondContact O-CB 3.43Å; A470-K474 PolarHBondContact O-N 3.29Å
471	Q	98.7	Very high	98.7	Very high	16 Å²	16	47 Å²	47	8%	0.075	25%	0.251	C	S	.	.	H	α-helix	trans	-61.5	-46.7	176.8	179.3	-180	-47.8	0	0	111.6	M399 S400 G467 F468 E469 C475 P565	M399-Q471 PolarHBondContact O-NE2 3.43Å; S400-Q471 PolarHBondContact OG-NE2 3.4Å; G467-Q471 WeakPolarHBondContact O-CB 3.13Å; G467-Q471 PolarHBondContact O-N 3.5Å; F468-Q471 PolarHBondContact O-N 3.47Å; E469-Q471 VanDerWaalsContact C-N 3.35Å; E469-Q471 PolarHBondContact O-N 3.32Å; Q471-C475 PolarHBondContact O-N 3.43Å; Q471-C475 PolarHBondContact O-SG 2.6Å; Q471-P565 VanDerWaalsContact CD-CG 3.43Å; Q471-P565 HydrophobicContact CG-CB 4.1Å; Q471-P565 HydrophobicContact CG-CG 3.66Å
472	I	98.8	Very high	98.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-66.3	-44.5	-179.2	-71.1	161.7	0	0	0	110.7	S371 L372 M374 M398 M399 F468 E469 C475 L476	S371-I472 VanDerWaalsContact O-CD1 3.25Å; S371-I472 WeakPolarHBondContact O-CD1 3.49Å; L372-I472 HydrophobicContact CD1-CG2 3.99Å; L372-I472 HydrophobicContact CG-CG2 4.31Å; M374-I472 HydrophobicContact CB-CD1 3.72Å; M374-I472 HydrophobicContact CG-CD1 4.14Å; M398-I472 HydrophobicContact CE-CB 4.33Å; M398-I472 HydrophobicContact CE-CG1 4.33Å; M398-I472 HydrophobicContact CE-CG2 4.19Å; M398-I472 HydrophobicContact CG-CG1 4.05Å; M399-I472 HydrophobicContact CG-CD1 4.46Å; F468-I472 WeakPolarHBondContact O-CB 3.45Å; F468-I472 WeakPolarHBondContact O-CD1 3.27Å; F468-I472 VanDerWaalsContact O-CG1 3.25Å; F468-I472 WeakPolarHBondContact O-CG1 3.25Å; F468-I472 PolarHBondContact O-N 3.14Å; E469-I472 PolarHBondContact O-N 3.29Å; I472-C475 PolarHBondContact O-N 2.88Å; I472-L476 HydrophobicContact CG2-CD1 3.97Å; I472-L476 PolarHBondContact O-N 2.72Å
473	D	98.9	Very high	98.7	Very high	36 Å²	36	36.9 Å²	36.9	19%	0.193	20%	0.199	C	C	.	.	H	α-helix	trans	-62.2	-43.7	179.8	-73.8	-1.4	0	0	0	111.2	S375 H378 E469 C475 L476 E477	S375-D473 WeakPolarHBondContact CB-OD1 3.21Å; S375-D473 PolarHBondContact OG-OD1 3.48Å; H378-D473 IonicContact CD2-OD1 3.51Å; H378-D473 PolarHBondContact CD2-OD1 3.38Å; H378-D473 VanDerWaalsContact CD2-OD1 3.29Å; H378-D473 IonicContact NE2-OD1 2.67Å; E469-D473 WeakPolarHBondContact O-CB 3.43Å; E469-D473 VanDerWaalsContact O-CG 3.28Å; E469-D473 PolarHBondContact O-N 2.84Å; D473-C475 PolarHBondContact O-N 3.44Å; D473-L476 PolarHBondContact O-N 2.81Å; D473-E477 WeakPolarHBondContact O-CB 3.36Å; D473-E477 PolarHBondContact O-N 3.47Å
474	K	98.8	Very high	98.7	Very high	75 Å²	75	37.6 Å²	37.6	33%	0.326	21%	0.206	S	C	.	.	H	α-helix	trans	-57.3	-46.7	175	-178.5	-172	171.8	-166.4	0	111.8	A470 L476 E477 L478 P565 A567	A470-K474 WeakPolarHBondContact O-CB 3.43Å; A470-K474 PolarHBondContact O-N 3.29Å; K474-L476 VanDerWaalsContact C-N 3.32Å; K474-L476 PolarHBondContact O-N 2.88Å; K474-E477 WeakPolarHBondContact O-CB 3.39Å; K474-E477 PolarHBondContact O-N 2.76Å; K474-L478 WeakPolarHBondContact O-CG 3.48Å; K474-L478 PolarHBondContact O-N 2.9Å; K474-P565 PolarHBondContact NZ-O 3.27Å; K474-A567 WeakPolarHBondContact CE-O 3.35Å; K474-A567 PolarHBondContact NZ-O 2.89Å
475	C	98.8	Very high	98.7	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.007	21%	0.208	C	C	.	.	H	α-helix	trans	-66.4	-34.4	-179.8	-69.6	0	0	0	0	112.5	M398 Q471 I472 D473 S479 T503 I562	M398-C475 HydrophobicContact CE-CB 3.31Å; Q471-C475 PolarHBondContact O-N 3.43Å; Q471-C475 PolarHBondContact O-SG 2.6Å; I472-C475 PolarHBondContact O-N 2.88Å; D473-C475 PolarHBondContact O-N 3.44Å; C475-S479 PolarHBondContact O-N 2.79Å; C475-S479 VanDerWaalsContact O-N 3.14Å; C475-T503 HydrophobicContact CB-CG2 4.11Å; C475-T503 WeakPolarHBondContact O-CG2 3.45Å; C475-I562 HydrophobicContact CB-CG2 4.04Å
476	L	98.8	Very high	98.7	Very high	12 Å²	12	37.6 Å²	37.6	6%	0.063	19%	0.193	C	C	.	.	H	α-helix	trans	-69.3	-36.8	173.1	-76.5	163.4	0	0	0	112.1	L372 H378 I472 D473 K474 S479 E480 T503	L372-L476 HydrophobicContact CD1-CD1 4.32Å; L372-L476 HydrophobicContact CD2-CD1 4.12Å; L372-L476 HydrophobicContact CG-CD1 4.05Å; H378-L476 HydrophobicContact CB-CD1 4.04Å; H378-L476 WeakPolarHBondContact CD2-CD1 3.31Å; I472-L476 HydrophobicContact CG2-CD1 3.97Å; I472-L476 PolarHBondContact O-N 2.72Å; D473-L476 PolarHBondContact O-N 2.81Å; K474-L476 VanDerWaalsContact C-N 3.32Å; K474-L476 PolarHBondContact O-N 2.88Å; L476-S479 WeakPolarHBondContact O-CB 3.38Å; L476-S479 PolarHBondContact O-N 3.23Å; L476-E480 PolarHBondContact O-N 2.92Å; L476-T503 HydrophobicContact CD2-CG2 3.73Å; L476-T503 HydrophobicContact CG-CG2 3.91Å
477	E	98.8	Very high	98.6	Very high	96 Å²	96	35.5 Å²	35.5	45%	0.449	18%	0.18	S	C	.	.	H	α-helix	trans	-62.5	-45.7	172.6	-177.8	-179.4	-173.4	0	0	111.9	D473 K474 S479 E480 Y481 F569	D473-E477 WeakPolarHBondContact O-CB 3.36Å; D473-E477 PolarHBondContact O-N 3.47Å; K474-E477 WeakPolarHBondContact O-CB 3.39Å; K474-E477 PolarHBondContact O-N 2.76Å; E477-S479 VanDerWaalsContact C-N 3.25Å; E477-S479 PolarHBondContact O-N 3.04Å; E477-E480 PolarHBondContact O-N 2.87Å; E477-E480 VanDerWaalsContact O-N 3.13Å; E477-Y481 PolarHBondContact O-N 3.34Å; E477-F569 HydrophobicContact CG-CE1 4.46Å; E477-F569 HydrophobicContact CG-CZ 4.13Å
478	L	98.9	Very high	98.4	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-60.7	-36.1	175.1	-69.1	173.8	0	0	0	112.1	K474 Y481 L482 I562 A567 F569 I572	K474-L478 WeakPolarHBondContact O-CG 3.48Å; K474-L478 PolarHBondContact O-N 2.9Å; L478-Y481 PolarHBondContact O-N 3.27Å; L478-L482 PolarHBondContact O-N 3.25Å; L478-I562 HydrophobicContact CB-CD1 3.85Å; L478-I562 HydrophobicContact CB-CG2 4.28Å; L478-I562 HydrophobicContact CD1-CG2 4.1Å; L478-A567 HydrophobicContact CD1-CB 4.05Å; L478-A567 WeakPolarHBondContact CD1-O 2.96Å; L478-F569 HydrophobicContact CD2-CD1 3.68Å; L478-F569 HydrophobicContact CD2-CD2 4.19Å; L478-F569 HydrophobicContact CD2-CE1 3.84Å; L478-F569 HydrophobicContact CD2-CE2 4.33Å; L478-F569 HydrophobicContact CD2-CG 3.87Å; L478-F569 HydrophobicContact CD2-CZ 4.16Å; L478-I572 HydrophobicContact CB-CG1 4.42Å; L478-I572 HydrophobicContact CD2-CG1 4.28Å
479	S	98.6	Very high	98.3	Very high	4 Å²	4	45 Å²	45	3%	0.028	22%	0.218	C	C	.	.	H	α-helix	trans	-68.9	-38.6	174.9	-177.2	0	0	0	0	112.7	C475 L476 E477 Y481 Y483 H502 T503 V505	C475-S479 PolarHBondContact O-N 2.79Å; C475-S479 VanDerWaalsContact O-N 3.14Å; L476-S479 WeakPolarHBondContact O-CB 3.38Å; L476-S479 PolarHBondContact O-N 3.23Å; E477-S479 VanDerWaalsContact C-N 3.25Å; E477-S479 PolarHBondContact O-N 3.04Å; S479-Y481 VanDerWaalsContact C-N 3.34Å; S479-Y483 WeakPolarHBondContact O-CB 3.44Å; S479-Y483 PolarHBondContact O-N 3.01Å; S479-H502 PolarHBondContact OG-O 3.42Å; S479-T503 WeakPolarHBondContact OG-CA 3.35Å; S479-V505 VanDerWaalsContact OG-CG2 3.22Å; S479-V505 WeakPolarHBondContact OG-CG2 3.45Å
480	E	98.6	Very high	98.1	Very high	80 Å²	80	49.4 Å²	49.4	37%	0.374	24%	0.238	S	C	.	.	H	α-helix	trans	-65.5	-40.2	174.3	180	163.6	-152.1	0	0	110.7	R377 L476 E477 Y483 N484	R377-E480 IonicContact NH2-OE2 2.88Å; L476-E480 PolarHBondContact O-N 2.92Å; E477-E480 PolarHBondContact O-N 2.87Å; E477-E480 VanDerWaalsContact O-N 3.13Å; E480-Y483 PolarHBondContact O-N 3.28Å; E480-N484 WeakPolarHBondContact O-CB 3.47Å; E480-N484 VanDerWaalsContact O-CG 3.27Å; E480-N484 PolarHBondContact O-N 3.06Å; E480-N484 PolarHBondContact O-ND2 2.96Å; E480-N484 VanDerWaalsContact O-ND2 3.08Å
481	Y	98.8	Very high	98	Very high	62 Å²	62	46.8 Å²	46.8	24%	0.243	22%	0.217	C	C	.	.	H	α-helix	trans	-59.7	-52	172.8	178.5	-102.5	0	0	0	112	E477 L478 S479 Y483 N484 K485 F569 I572 D573	E477-Y481 PolarHBondContact O-N 3.34Å; L478-Y481 PolarHBondContact O-N 3.27Å; S479-Y481 VanDerWaalsContact C-N 3.34Å; Y481-Y483 VanDerWaalsContact C-N 3.34Å; Y481-Y483 PolarHBondContact O-N 2.98Å; Y481-N484 PolarHBondContact O-N 2.94Å; Y481-K485 HydrophobicContact CD1-CG 4.19Å; Y481-K485 HydrophobicContact CD2-CG 4.27Å; Y481-K485 HydrophobicContact CE1-CD 4.35Å; Y481-K485 HydrophobicContact CE1-CG 3.91Å; Y481-K485 HydrophobicContact CE2-CD 4.02Å; Y481-K485 HydrophobicContact CE2-CG 3.96Å; Y481-K485 HydrophobicContact CG-CG 4.38Å; Y481-K485 WeakPolarHBondContact O-CB 3.48Å; Y481-K485 VanDerWaalsContact O-CG 3.25Å; Y481-K485 WeakPolarHBondContact O-CG 3.42Å; Y481-K485 PolarHBondContact O-N 3.01Å; Y481-K485 PolarHBondContact OH-NZ 3.36Å; Y481-F569 AromaticContact CD1-CD1 3.63Å; Y481-F569 HydrophobicContact CD1-CD1 3.63Å; Y481-F569 HydrophobicContact CD1-CE1 4.4Å; Y481-F569 AromaticContact CD2-CD1 3.81Å; Y481-F569 HydrophobicContact CD2-CD1 3.81Å; Y481-F569 HydrophobicContact CD2-CE1 4.09Å; Y481-F569 HydrophobicContact CE1-CB 4.23Å; Y481-F569 HydrophobicContact CE1-CD1 4.03Å; Y481-F569 HydrophobicContact CE2-CD1 4.2Å; Y481-F569 AromaticContact CG-CD1 3.5Å; Y481-F569 HydrophobicContact CG-CD1 3.5Å; Y481-F569 AromaticContact CG-CE1 3.86Å; Y481-F569 HydrophobicContact CG-CE1 3.86Å; Y481-I572 HydrophobicContact CD1-CB 4.1Å; Y481-I572 HydrophobicContact CD1-CG2 3.89Å; Y481-I572 HydrophobicContact CE1-CB 4.24Å; Y481-I572 HydrophobicContact CE1-CG2 4.2Å; Y481-D573 VanDerWaalsContact OH-CG 3.3Å; Y481-D573 PolarHBondContact OH-OD1 3.06Å; Y481-D573 PolarHBondContact OH-OD2 3.02Å
482	L	98.8	Very high	97.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-53.5	-51.6	176.2	173.6	55.6	0	0	0	111.2	L478 N484 K485 I486 V505 M560 I572 I576	L478-L482 PolarHBondContact O-N 3.25Å; L482-N484 VanDerWaalsContact C-N 3.35Å; L482-N484 PolarHBondContact O-N 3.22Å; L482-K485 PolarHBondContact O-N 3.03Å; L482-I486 HydrophobicContact CD1-CD1 4.14Å; L482-I486 HydrophobicContact CD1-CG2 3.95Å; L482-I486 HydrophobicContact CG-CD1 4.37Å; L482-I486 WeakPolarHBondContact O-CG1 3.5Å; L482-I486 PolarHBondContact O-N 3.48Å; L482-I486 VanDerWaalsContact O-N 3.14Å; L482-V505 HydrophobicContact CB-CG2 4.39Å; L482-V505 HydrophobicContact CD2-CB 3.83Å; L482-V505 HydrophobicContact CD2-CG1 4.29Å; L482-V505 HydrophobicContact CD2-CG2 3.81Å; L482-V505 HydrophobicContact CG-CB 4.27Å; L482-V505 HydrophobicContact CG-CG1 4.23Å; L482-V505 HydrophobicContact CG-CG2 4.14Å; L482-M560 HydrophobicContact CD2-CB 3.65Å; L482-M560 HydrophobicContact CD2-CE 4.11Å; L482-M560 HydrophobicContact CD2-CG 3.81Å; L482-I572 HydrophobicContact CB-CG2 3.61Å; L482-I572 HydrophobicContact CD1-CG2 3.77Å; L482-I572 HydrophobicContact CG-CG2 4.16Å; L482-I576 HydrophobicContact CD1-CD1 3.85Å; L482-I576 HydrophobicContact CD1-CG1 3.91Å
483	Y	98.6	Very high	97.9	Very high	32 Å²	32	51 Å²	51	13%	0.125	24%	0.236	C	C	.	.	H	α-helix	trans	-56.3	-48.3	179.2	172.7	-100.9	0	0	0	111.8	S479 E480 Y481 K485 I486 K487 M494 K499 P500	S479-Y483 WeakPolarHBondContact O-CB 3.44Å; S479-Y483 PolarHBondContact O-N 3.01Å; E480-Y483 PolarHBondContact O-N 3.28Å; Y481-Y483 VanDerWaalsContact C-N 3.34Å; Y481-Y483 PolarHBondContact O-N 2.98Å; Y483-K485 VanDerWaalsContact C-N 3.28Å; Y483-K485 PolarHBondContact O-N 3.5Å; Y483-I486 PolarHBondContact O-N 3.06Å; Y483-K487 HydrophobicContact CD1-CD 4.06Å; Y483-K487 HydrophobicContact CE1-CB 4.47Å; Y483-K487 HydrophobicContact CE1-CD 3.55Å; Y483-K487 HydrophobicContact CE2-CB 4.18Å; Y483-K487 VanDerWaalsContact O-CB 3.29Å; Y483-K487 WeakPolarHBondContact O-CB 3.41Å; Y483-K487 WeakPolarHBondContact O-CG 3.25Å; Y483-K487 PolarHBondContact O-N 2.83Å; Y483-M494 HydrophobicContact CD2-CE 3.66Å; Y483-M494 HydrophobicContact CD2-SD 4Å; Y483-M494 HydrophobicContact CE2-CE 3.79Å; Y483-M494 HydrophobicContact CE2-CG 4.14Å; Y483-M494 HydrophobicContact CE2-SD 4.07Å; Y483-K499 HydrophobicContact CE1-CD 4.46Å; Y483-K499 HydrophobicContact CE1-CG 3.8Å; Y483-P500 HydrophobicContact CD2-CG 3.87Å; Y483-P500 HydrophobicContact CG-CG 4.23Å
484	N	98.4	Very high	97.9	Very high	72 Å²	72	50.5 Å²	50.5	39%	0.385	23%	0.233	S	C	.	.	H	α-helix	trans	-65.5	-30.5	-179.5	-72.3	-35.1	0	0	0	113	E480 Y481 L482	E480-N484 WeakPolarHBondContact O-CB 3.47Å; E480-N484 VanDerWaalsContact O-CG 3.27Å; E480-N484 PolarHBondContact O-N 3.06Å; E480-N484 PolarHBondContact O-ND2 2.96Å; E480-N484 VanDerWaalsContact O-ND2 3.08Å; Y481-N484 PolarHBondContact O-N 2.94Å; L482-N484 VanDerWaalsContact C-N 3.35Å; L482-N484 PolarHBondContact O-N 3.22Å
485	K	98.1	Very high	97.8	Very high	77 Å²	77	47.2 Å²	47.2	34%	0.335	22%	0.219	S	C	.	.	H	α-helix	trans	-73.8	-30	177.7	-72	-82.4	-69.8	-138.6	0	113.4	Y481 L482 Y483 R489 D573 I576	Y481-K485 HydrophobicContact CD1-CG 4.19Å; Y481-K485 HydrophobicContact CD2-CG 4.27Å; Y481-K485 HydrophobicContact CE1-CD 4.35Å; Y481-K485 HydrophobicContact CE1-CG 3.91Å; Y481-K485 HydrophobicContact CE2-CD 4.02Å; Y481-K485 HydrophobicContact CE2-CG 3.96Å; Y481-K485 HydrophobicContact CG-CG 4.38Å; Y481-K485 WeakPolarHBondContact O-CB 3.48Å; Y481-K485 VanDerWaalsContact O-CG 3.25Å; Y481-K485 WeakPolarHBondContact O-CG 3.42Å; Y481-K485 PolarHBondContact O-N 3.01Å; Y481-K485 PolarHBondContact OH-NZ 3.36Å; L482-K485 PolarHBondContact O-N 3.03Å; Y483-K485 VanDerWaalsContact C-N 3.28Å; Y483-K485 PolarHBondContact O-N 3.5Å; K485-R489 WeakPolarHBondContact O-CB 3.43Å; K485-D573 WeakPolarHBondContact CE-OD1 3.37Å; K485-D573 IonicContact NZ-OD1 2.75Å; K485-D573 PolarHBondContact NZ-OD1 2.97Å; K485-D573 IonicContact NZ-OD2 3.45Å; K485-I576 HydrophobicContact CB-CD1 3.89Å
486	I	98.1	Very high	97.7	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-107.9	-22.7	-173.6	72.3	178.9	0	0	0	114.8	L482 Y483 D488 R489 Y492 M494 V505 F507 I576	L482-I486 HydrophobicContact CD1-CD1 4.14Å; L482-I486 HydrophobicContact CD1-CG2 3.95Å; L482-I486 HydrophobicContact CG-CD1 4.37Å; L482-I486 WeakPolarHBondContact O-CG1 3.5Å; L482-I486 PolarHBondContact O-N 3.48Å; L482-I486 VanDerWaalsContact O-N 3.14Å; Y483-I486 PolarHBondContact O-N 3.06Å; I486-D488 PolarHBondContact O-N 2.92Å; I486-D488 VanDerWaalsContact O-N 3.14Å; I486-R489 PolarHBondContact O-N 2.67Å; I486-R489 VanDerWaalsContact O-N 3.11Å; I486-Y492 HydrophobicContact CB-CD1 3.97Å; I486-Y492 HydrophobicContact CB-CG 3.98Å; I486-Y492 HydrophobicContact CD1-CD1 4.34Å; I486-Y492 HydrophobicContact CG2-CD1 4.06Å; I486-Y492 HydrophobicContact CG2-CE1 4.27Å; I486-Y492 HydrophobicContact CG2-CG 4.29Å; I486-Y492 WeakPolarHBondContact O-CB 3.35Å; I486-M494 HydrophobicContact CD1-SD 4.2Å; I486-M494 HydrophobicContact CG1-SD 4.1Å; I486-V505 HydrophobicContact CD1-CG1 3.89Å; I486-F507 HydrophobicContact CD1-CB 3.93Å; I486-F507 HydrophobicContact CD1-CD1 3.47Å; I486-F507 VanDerWaalsContact CD1-CD1 3.47Å; I486-F507 HydrophobicContact CD1-CD2 4.33Å; I486-F507 HydrophobicContact CD1-CE1 4.01Å; I486-F507 HydrophobicContact CD1-CG 3.64Å; I486-I576 HydrophobicContact CG2-CD1 3.72Å; I486-I576 HydrophobicContact CG2-CG1 3.89Å; I486-I576 HydrophobicContact CG2-CG2 4.41Å
487	K	96.7	Very high	97.4	Very high	76 Å²	76	53.9 Å²	53.9	33%	0.33	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-34.3	-173.2	63.5	-179	-176.1	86	0	114.4	Y483 M494	Y483-K487 HydrophobicContact CD1-CD 4.06Å; Y483-K487 HydrophobicContact CE1-CB 4.47Å; Y483-K487 HydrophobicContact CE1-CD 3.55Å; Y483-K487 HydrophobicContact CE2-CB 4.18Å; Y483-K487 VanDerWaalsContact O-CB 3.29Å; Y483-K487 WeakPolarHBondContact O-CB 3.41Å; Y483-K487 WeakPolarHBondContact O-CG 3.25Å; Y483-K487 PolarHBondContact O-N 2.83Å; K487-M494 HydrophobicContact CB-CG 4.37Å
488	D	94.4	Very high	97.1	Very high	131 Å²	131	50.6 Å²	50.6	70%	0.701	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.1	11.4	-178.5	-57.8	-37.1	0	0	0	111.8	I486	I486-D488 PolarHBondContact O-N 2.92Å; I486-D488 VanDerWaalsContact O-N 3.14Å
489	R	96.8	Very high	96.9	Very high	94 Å²	94	56.9 Å²	56.9	36%	0.355	27%	0.274	S	S	.	.	S	Bend	trans	-86.9	131.7	-176.3	-174.4	176.3	177.2	100.7	-4	110.1	K485 I486 G491 Y492 E580	K485-R489 WeakPolarHBondContact O-CB 3.43Å; I486-R489 PolarHBondContact O-N 2.67Å; I486-R489 VanDerWaalsContact O-N 3.11Å; R489-G491 PolarHBondContact O-N 2.86Å; R489-Y492 HydrophobicContact CB-CD2 4.33Å; R489-Y492 HydrophobicContact CG-CD2 4.12Å; R489-Y492 PolarHBondContact O-N 2.98Å; R489-E580 IonicContact CZ-OE1 3.54Å; R489-E580 IonicContact CZ-OE2 3.76Å; R489-E580 IonicContact NE-OE1 3.74Å; R489-E580 PolarHBondContact NE-OE1 2.97Å; R489-E580 IonicContact NH2-OE1 2.67Å; R489-E580 PolarHBondContact NH2-OE1 2.8Å; R489-E580 IonicContact NH2-OE2 3.33Å; R489-E580 PolarHBondContact NH2-OE2 2.97Å
490	E	95.6	Very high	96.8	Very high	113 Å²	113	57.9 Å²	57.9	53%	0.528	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	130.7	176.2	-154.8	-162.3	161	0	0	110.7	R515 Y516	E490-R515 VanDerWaalsContact CG-NH1 3.27Å; E490-R515 WeakPolarHBondContact OE1-CD 3.46Å; E490-R515 IonicContact OE1-CZ 3.64Å; E490-R515 IonicContact OE1-NE 2.76Å; E490-R515 IonicContact OE1-NH1 3.67Å; E490-R515 PolarHBondContact OE1-NH1 3.08Å; E490-R515 IonicContact OE2-NH1 2.74Å; E490-R515 PolarHBondContact OE2-NH1 3.39Å; E490-Y516 PolarHBondContact OE1-OH 3.26Å
491	G	96.3	Very high	96.8	Very high	4 Å²	4	56.1 Å²	56.1	4%	0.041	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.3	-4.4	-176.6	0	0	0	0	0	115.5	R489 Y509 L510 R515	R489-G491 PolarHBondContact O-N 2.86Å; G491-Y509 CarbonylContact O-C 3.19Å; G491-Y509 WeakPolarHBondContact O-CA 3.14Å; G491-Y509 WeakPolarHBondContact O-CD2 3.49Å; G491-L510 WeakPolarHBondContact CA-O 3.38Å; G491-L510 PolarHBondContact O-N 3.45Å; G491-R515 VanDerWaalsContact CA-CZ 3.46Å
492	Y	97.8	Very high	96.8	Very high	14 Å²	14	53.3 Å²	53.3	6%	0.055	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	144	172.3	-73.4	-97	0	0	0	109.9	I486 R489 F507 W508 Y509 I576 I579 E580	I486-Y492 HydrophobicContact CB-CD1 3.97Å; I486-Y492 HydrophobicContact CB-CG 3.98Å; I486-Y492 HydrophobicContact CD1-CD1 4.34Å; I486-Y492 HydrophobicContact CG2-CD1 4.06Å; I486-Y492 HydrophobicContact CG2-CE1 4.27Å; I486-Y492 HydrophobicContact CG2-CG 4.29Å; I486-Y492 WeakPolarHBondContact O-CB 3.35Å; R489-Y492 HydrophobicContact CB-CD2 4.33Å; R489-Y492 HydrophobicContact CG-CD2 4.12Å; R489-Y492 PolarHBondContact O-N 2.98Å; Y492-F507 AromaticContact CD1-CD2 3.52Å; Y492-F507 HydrophobicContact CD1-CD2 3.52Å; Y492-F507 AromaticContact CD1-CE2 3.83Å; Y492-F507 HydrophobicContact CD1-CE2 3.83Å; Y492-F507 HydrophobicContact CD1-CG 4.27Å; Y492-F507 AromaticContact CE1-CD2 3.73Å; Y492-F507 HydrophobicContact CE1-CD2 3.73Å; Y492-F507 AromaticContact CE1-CE2 3.51Å; Y492-F507 HydrophobicContact CE1-CE2 3.51Å; Y492-F507 HydrophobicContact CE1-CZ 4.34Å; Y492-W508 WeakPolarHBondContact CA-O 3.4Å; Y492-Y509 HydrophobicContact CD2-CD2 4.34Å; Y492-Y509 HydrophobicContact CE1-CD2 4.24Å; Y492-Y509 AromaticContact CE2-CD2 3.85Å; Y492-Y509 HydrophobicContact CE2-CD2 3.85Å; Y492-Y509 HydrophobicContact CE2-CE2 4.07Å; Y492-Y509 AromaticContact CZ-CD2 3.8Å; Y492-I576 HydrophobicContact CE2-CG2 4.05Å; Y492-I576 PolarHBondContact OH-O 3.37Å; Y492-I579 HydrophobicContact CE1-CG2 4.4Å; Y492-I579 WeakPolarHBondContact OH-CB 3.14Å; Y492-I579 WeakPolarHBondContact OH-CG2 3.37Å; Y492-E580 HydrophobicContact CE2-CG 4.03Å; Y492-E580 WeakPolarHBondContact CE2-OE1 3.45Å
493	Q	97.7	Very high	96.8	Very high	89 Å²	89	53.3 Å²	53.3	42%	0.416	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	128.3	173.7	-179.4	180	-11.3	0	0	109.7	F507 W508 L510	Q493-F507 CarbonylContact O-C 3.53Å; Q493-F507 VanDerWaalsContact O-CA 3.24Å; Q493-F507 WeakPolarHBondContact O-CA 3.37Å; Q493-F507 WeakPolarHBondContact O-CB 3.39Å; Q493-W508 HydrophobicContact CB-CE3 4.48Å; Q493-W508 HydrophobicContact CG-CE3 4.25Å; Q493-W508 PolarHBondContact N-O 2.71Å; Q493-W508 PolarHBondContact O-N 3.33Å; Q493-L510 HydrophobicContact CB-CD1 3.62Å
494	M	98.3	Very high	96.8	Very high	26 Å²	26	51.8 Å²	51.8	13%	0.128	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	142.9	175.7	-62.8	-52.8	-55.1	0	0	111.1	Y483 I486 K487 F496 V505 C506 F507	Y483-M494 HydrophobicContact CD2-CE 3.66Å; Y483-M494 HydrophobicContact CD2-SD 4Å; Y483-M494 HydrophobicContact CE2-CE 3.79Å; Y483-M494 HydrophobicContact CE2-CG 4.14Å; Y483-M494 HydrophobicContact CE2-SD 4.07Å; I486-M494 HydrophobicContact CD1-SD 4.2Å; I486-M494 HydrophobicContact CG1-SD 4.1Å; K487-M494 HydrophobicContact CB-CG 4.37Å; M494-F496 VanDerWaalsContact C-N 3.34Å; M494-V505 HydrophobicContact CE-CG1 3.92Å; M494-C506 VanDerWaalsContact CE-O 3.25Å; M494-C506 WeakPolarHBondContact CE-O 3.44Å; M494-F507 HydrophobicContact SD-CB 4.33Å
495	V	98.1	Very high	96.8	Very high	6 Å²	6	48.3 Å²	48.3	4%	0.036	24%	0.236	C	C	.	.	S	Bend	trans	-74.7	-26	-176.6	170	0	0	0	0	113	Y342 C506 W508 K554 F557	Y342-V495 HydrophobicContact CE1-CG1 3.75Å; Y342-V495 WeakPolarHBondContact OH-CG1 3.48Å; V495-C506 HydrophobicContact CB-CB 3.79Å; V495-C506 HydrophobicContact CG1-CB 4.32Å; V495-C506 VanDerWaalsContact CG2-C 3.46Å; V495-C506 HydrophobicContact CG2-CB 3.9Å; V495-C506 WeakPolarHBondContact CG2-O 3.47Å; V495-C506 PolarHBondContact N-O 3.07Å; V495-W508 VanDerWaalsContact CA-CZ3 3.49Å; V495-W508 HydrophobicContact CB-CH2 4.3Å; V495-W508 HydrophobicContact CB-CZ3 4.17Å; V495-W508 HydrophobicContact CG1-CH2 4.16Å; V495-W508 HydrophobicContact CG2-CD2 4.05Å; V495-W508 HydrophobicContact CG2-CE3 3.86Å; V495-W508 HydrophobicContact CG2-CH2 4.1Å; V495-W508 HydrophobicContact CG2-CZ2 4.26Å; V495-W508 HydrophobicContact CG2-CZ3 3.92Å; V495-K554 HydrophobicContact CG1-CD 3.61Å; V495-K554 VanDerWaalsContact O-CE 3.23Å; V495-K554 WeakPolarHBondContact O-CE 3.41Å; V495-F557 HydrophobicContact CB-CG 4.47Å; V495-F557 HydrophobicContact CG1-CD1 3.94Å; V495-F557 HydrophobicContact CG1-CD2 4.3Å; V495-F557 HydrophobicContact CG1-CE1 3.9Å; V495-F557 HydrophobicContact CG1-CE2 4.24Å; V495-F557 HydrophobicContact CG1-CG 4.16Å; V495-F557 HydrophobicContact CG1-CZ 4.05Å; V495-F557 HydrophobicContact CG2-CB 3.47Å; V495-F557 VanDerWaalsContact CG2-CB 3.47Å; V495-F557 HydrophobicContact CG2-CD1 3.94Å; V495-F557 HydrophobicContact CG2-CD2 3.71Å; V495-F557 HydrophobicContact CG2-CE2 4.4Å; V495-F557 HydrophobicContact CG2-CG 3.45Å; V495-F557 VanDerWaalsContact CG2-CG 3.45Å
496	F	96.1	Very high	96.8	Very high	14 Å²	14	44.7 Å²	44.7	6%	0.061	22%	0.22	C	C	.	.	S	Bend	trans	-144.7	155	176.6	63.8	-89.9	0	0	0	110	E307 Y342 M494 G498 C506	E307-F496 WeakPolarHBondContact O-CB 3.07Å; Y342-F496 HydrophobicContact CD1-CD1 4.02Å; Y342-F496 HydrophobicContact CD1-CE1 4Å; Y342-F496 AromaticContact CD2-CD1 3.81Å; Y342-F496 HydrophobicContact CD2-CD1 3.81Å; Y342-F496 HydrophobicContact CD2-CE1 4.04Å; Y342-F496 HydrophobicContact CD2-CG 4.34Å; Y342-F496 HydrophobicContact CE1-CD1 4.06Å; Y342-F496 HydrophobicContact CE1-CE1 4.48Å; Y342-F496 HydrophobicContact CE2-CB 4.29Å; Y342-F496 AromaticContact CE2-CD1 3.82Å; Y342-F496 HydrophobicContact CE2-CD1 3.82Å; Y342-F496 HydrophobicContact CE2-CE1 4.5Å; Y342-F496 HydrophobicContact CE2-CG 4.21Å; Y342-F496 AromaticContact CG-CD1 3.94Å; Y342-F496 HydrophobicContact CG-CD1 3.94Å; Y342-F496 AromaticContact CG-CE1 3.8Å; Y342-F496 HydrophobicContact CG-CE1 3.8Å; Y342-F496 AromaticContact CZ-CD1 3.97Å; M494-F496 VanDerWaalsContact C-N 3.34Å; F496-G498 PolarHBondContact O-N 2.93Å; F496-C506 HydrophobicContact CE1-CB 4.37Å
497	D	92.4	Very high	96.9	Very high	140 Å²	140	44.7 Å²	44.7	75%	0.749	22%	0.221	S	C	*	.	S	Bend	trans	-80.2	102.6	176.4	-68.7	-29	0	0	0	109.8
498	G	91.6	Very high	97	Very high	26 Å²	26	42.2 Å²	42.2	27%	0.268	21%	0.209	S	C	.	.	S	Bend	trans	162.8	162.5	179.2	0	0	0	0	0	112.7	F496	F496-G498 PolarHBondContact O-N 2.93Å
499	K	95.1	Very high	97.2	Very high	134 Å²	134	36.5 Å²	36.5	58%	0.583	18%	0.178	S	C	*	.			trans	-80	134.8	170.1	-68.4	-168.9	174.2	-169.9	0	109.7	Y483 Q501	Y483-K499 HydrophobicContact CE1-CD 4.46Å; Y483-K499 HydrophobicContact CE1-CG 3.8Å; K499-Q501 PolarHBondContact O-N 3.28Å
500	P	97.5	Very high	97.2	Very high	25 Å²	25	32.6 Å²	32.6	16%	0.162	16%	0.164	C	C	.	.			trans	-46.5	131.6	167.8	-33.4	38.9	0	0	0	112.9	Y483 N504 V505	Y483-P500 HydrophobicContact CD2-CG 3.87Å; Y483-P500 HydrophobicContact CG-CG 4.23Å; P500-N504 WeakPolarHBondContact CB-O 3.15Å; P500-V505 HydrophobicContact CG-CG1 4.42Å; P500-V505 HydrophobicContact CG-CG2 4.16Å
501	Q	97.8	Very high	97.3	Very high	43 Å²	43	27.2 Å²	27.2	20%	0.201	14%	0.139	C	C	.	.	S	Bend	trans	-91.3	-19.3	178.3	-55.6	-160.1	-43.7	0	0	112.8	K310 F345 K381 K499	K310-Q501 VanDerWaalsContact CE-CD 3.47Å; K310-Q501 VanDerWaalsContact CE-OE1 3.29Å; K310-Q501 VanDerWaalsContact NZ-NE2 3.11Å; F345-Q501 HydrophobicContact CD2-CB 3.8Å; F345-Q501 HydrophobicContact CE2-CB 4.2Å; K381-Q501 WeakPolarHBondContact CD-O 3.42Å; K381-Q501 WeakPolarHBondContact CE-O 3.38Å; K381-Q501 PolarHBondContact NZ-O 2.69Å; K499-Q501 PolarHBondContact O-N 3.28Å
502	H	98.7	Very high	97.2	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.009	16%	0.158	C	C	.	.	S	Bend	trans	-122.7	-169.8	171.1	-153.7	-77.2	0	0	0	109.1	F345 W368 L372 S479 N504	F345-H502 HydrophobicContact CE2-CB 4.3Å; F345-H502 AromaticContact CZ-CD2 3.83Å; W368-H502 AromaticContact CD2-CE1 3.68Å; W368-H502 AromaticContact CD2-NE2 3.89Å; W368-H502 AromaticContact CE2-CE1 3.11Å; W368-H502 AromaticContact CE2-CG 3.9Å; W368-H502 AromaticContact CE2-ND1 3.23Å; W368-H502 AromaticContact CE2-NE2 3.67Å; W368-H502 AromaticContact CH2-CE1 3.68Å; W368-H502 AromaticContact CZ2-CE1 3.15Å; W368-H502 WeakPolarHBondContact CZ2-CE1 3.43Å; W368-H502 AromaticContact CZ2-ND1 3.2Å; W368-H502 WeakPolarHBondContact CZ2-ND1 3.35Å; W368-H502 AromaticContact NE1-CD2 3.74Å; W368-H502 AromaticContact NE1-CE1 3.49Å; W368-H502 PolarHBondContact NE1-CE1 3.38Å; W368-H502 AromaticContact NE1-CG 3.46Å; W368-H502 AromaticContact NE1-ND1 3.26Å; W368-H502 PolarHBondContact NE1-ND1 3.19Å; W368-H502 AromaticContact NE1-NE2 3.77Å; L372-H502 VanDerWaalsContact CD1-NE2 3.29Å; L372-H502 WeakPolarHBondContact CD1-NE2 3.49Å; S479-H502 PolarHBondContact OG-O 3.42Å; H502-N504 PolarHBondContact O-N 3.33Å
503	T	98.7	Very high	97	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.176	C	C	.	.	S	Bend	trans	-67.3	6.6	170	63.5	0	0	0	0	115.2	W368 M398 C475 L476 S479 V561 I562	W368-T503 VanDerWaalsContact CZ2-OG1 3.31Å; W368-T503 WeakPolarHBondContact CZ2-OG1 3.21Å; M398-T503 HydrophobicContact CE-CG2 3.93Å; M398-T503 HydrophobicContact SD-CG2 4.36Å; C475-T503 HydrophobicContact CB-CG2 4.11Å; C475-T503 WeakPolarHBondContact O-CG2 3.45Å; L476-T503 HydrophobicContact CD2-CG2 3.73Å; L476-T503 HydrophobicContact CG-CG2 3.91Å; S479-T503 WeakPolarHBondContact OG-CA 3.35Å; T503-V561 WeakPolarHBondContact O-CA 3.19Å; T503-I562 WeakPolarHBondContact CB-O 3.3Å; T503-I562 VanDerWaalsContact CG2-O 3.25Å; T503-I562 WeakPolarHBondContact CG2-O 3.42Å; T503-I562 PolarHBondContact OG1-N 3.14Å; T503-I562 PolarHBondContact OG1-O 3.18Å
504	N	98.7	Very high	96.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.157	C	C	.	.			trans	-84.4	108.6	179.8	-69.2	73.7	0	0	0	110.7	T340 V341 Y342 W368 P500 H502 M560 V561	T340-N504 PolarHBondContact O-ND2 3.05Å; T340-N504 VanDerWaalsContact O-ND2 3.14Å; V341-N504 WeakPolarHBondContact O-CB 3.49Å; V341-N504 PolarHBondContact O-ND2 2.91Å; Y342-N504 WeakPolarHBondContact O-CB 3.25Å; W368-N504 PolarHBondContact NE1-OD1 2.8Å; P500-N504 WeakPolarHBondContact CB-O 3.15Å; H502-N504 PolarHBondContact O-N 3.33Å; N504-M560 CarbonylContact C-O 3.45Å; N504-M560 WeakPolarHBondContact CA-O 3.43Å; N504-V561 WeakPolarHBondContact ND2-CG1 3.26Å
505	V	98.8	Very high	96.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	113.2	173.5	-168.4	0	0	0	0	109.1	S479 L482 I486 M494 P500 F507 M560	S479-V505 VanDerWaalsContact OG-CG2 3.22Å; S479-V505 WeakPolarHBondContact OG-CG2 3.45Å; L482-V505 HydrophobicContact CB-CG2 4.39Å; L482-V505 HydrophobicContact CD2-CB 3.83Å; L482-V505 HydrophobicContact CD2-CG1 4.29Å; L482-V505 HydrophobicContact CD2-CG2 3.81Å; L482-V505 HydrophobicContact CG-CB 4.27Å; L482-V505 HydrophobicContact CG-CG1 4.23Å; L482-V505 HydrophobicContact CG-CG2 4.14Å; I486-V505 HydrophobicContact CD1-CG1 3.89Å; M494-V505 HydrophobicContact CE-CG1 3.92Å; P500-V505 HydrophobicContact CG-CG1 4.42Å; P500-V505 HydrophobicContact CG-CG2 4.16Å; V505-F507 HydrophobicContact CG1-CD1 4.22Å; V505-M560 HydrophobicContact CB-CB 4.24Å; V505-M560 PolarHBondContact N-O 3.29Å; V505-M560 PolarHBondContact O-N 2.87Å
506	C	98.8	Very high	96.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	118.9	-176.8	-63	0	0	0	0	110.8	V341 Y342 M494 V495 F496 F557 F558	V341-C506 PolarHBondContact O-SG 3.45Å; Y342-C506 HydrophobicContact CD1-CB 4.34Å; Y342-C506 HydrophobicContact CE1-CB 4.47Å; M494-C506 VanDerWaalsContact CE-O 3.25Å; M494-C506 WeakPolarHBondContact CE-O 3.44Å; V495-C506 HydrophobicContact CB-CB 3.79Å; V495-C506 HydrophobicContact CG1-CB 4.32Å; V495-C506 VanDerWaalsContact CG2-C 3.46Å; V495-C506 HydrophobicContact CG2-CB 3.9Å; V495-C506 WeakPolarHBondContact CG2-O 3.47Å; V495-C506 PolarHBondContact N-O 3.07Å; F496-C506 HydrophobicContact CE1-CB 4.37Å; C506-F557 HydrophobicContact CB-CD2 4.03Å; C506-F557 HydrophobicContact CB-CE2 3.99Å; C506-F558 VanDerWaalsContact CA-O 3.31Å; C506-F558 WeakPolarHBondContact CA-O 3.11Å
507	F	98.8	Very high	96	Very high	2 Å²	2	38 Å²	38	1%	0.009	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	154.5	-176	62.3	-89.1	0	0	0	112.1	I486 Y492 Q493 M494 V505 F557 F558 M560 I579	I486-F507 HydrophobicContact CD1-CB 3.93Å; I486-F507 HydrophobicContact CD1-CD1 3.47Å; I486-F507 VanDerWaalsContact CD1-CD1 3.47Å; I486-F507 HydrophobicContact CD1-CD2 4.33Å; I486-F507 HydrophobicContact CD1-CE1 4.01Å; I486-F507 HydrophobicContact CD1-CG 3.64Å; Y492-F507 AromaticContact CD1-CD2 3.52Å; Y492-F507 HydrophobicContact CD1-CD2 3.52Å; Y492-F507 AromaticContact CD1-CE2 3.83Å; Y492-F507 HydrophobicContact CD1-CE2 3.83Å; Y492-F507 HydrophobicContact CD1-CG 4.27Å; Y492-F507 AromaticContact CE1-CD2 3.73Å; Y492-F507 HydrophobicContact CE1-CD2 3.73Å; Y492-F507 AromaticContact CE1-CE2 3.51Å; Y492-F507 HydrophobicContact CE1-CE2 3.51Å; Y492-F507 HydrophobicContact CE1-CZ 4.34Å; Q493-F507 CarbonylContact O-C 3.53Å; Q493-F507 VanDerWaalsContact O-CA 3.24Å; Q493-F507 WeakPolarHBondContact O-CA 3.37Å; Q493-F507 WeakPolarHBondContact O-CB 3.39Å; M494-F507 HydrophobicContact SD-CB 4.33Å; V505-F507 HydrophobicContact CG1-CD1 4.22Å; F507-F557 WeakPolarHBondContact O-CB 3.39Å; F507-F558 HydrophobicContact CD2-CB 4.27Å; F507-F558 HydrophobicContact CD2-CD2 4.37Å; F507-F558 HydrophobicContact CE1-CB 4.13Å; F507-F558 HydrophobicContact CE2-CB 3.83Å; F507-F558 AromaticContact CE2-CD2 3.86Å; F507-F558 HydrophobicContact CE2-CD2 3.86Å; F507-F558 HydrophobicContact CE2-CG 4.14Å; F507-F558 HydrophobicContact CZ-CB 3.77Å; F507-F558 HydrophobicContact CZ-CD2 4.49Å; F507-F558 HydrophobicContact CZ-CG 4.33Å; F507-F558 PolarHBondContact N-O 3.15Å; F507-F558 PolarHBondContact O-N 3.26Å; F507-M560 HydrophobicContact CE1-CB 4.18Å; F507-M560 HydrophobicContact CE1-CG 3.75Å; F507-M560 HydrophobicContact CZ-CG 4.2Å; F507-I579 HydrophobicContact CE2-CD1 3.85Å; F507-I579 HydrophobicContact CZ-CD1 3.72Å
508	W	98.7	Very high	96	Very high	24 Å²	24	40.2 Å²	40.2	9%	0.091	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	146.3	161.9	-69.3	-75.9	0	0	0	110.5	Y492 Q493 V495 L527 K554 V555 N556 F557	Y492-W508 WeakPolarHBondContact CA-O 3.4Å; Q493-W508 HydrophobicContact CB-CE3 4.48Å; Q493-W508 HydrophobicContact CG-CE3 4.25Å; Q493-W508 PolarHBondContact N-O 2.71Å; Q493-W508 PolarHBondContact O-N 3.33Å; V495-W508 VanDerWaalsContact CA-CZ3 3.49Å; V495-W508 HydrophobicContact CB-CH2 4.3Å; V495-W508 HydrophobicContact CB-CZ3 4.17Å; V495-W508 HydrophobicContact CG1-CH2 4.16Å; V495-W508 HydrophobicContact CG2-CD2 4.05Å; V495-W508 HydrophobicContact CG2-CE3 3.86Å; V495-W508 HydrophobicContact CG2-CH2 4.1Å; V495-W508 HydrophobicContact CG2-CZ2 4.26Å; V495-W508 HydrophobicContact CG2-CZ3 3.92Å; W508-L527 HydrophobicContact CB-CD1 4.19Å; W508-L527 HydrophobicContact CB-CD2 4.33Å; W508-L527 HydrophobicContact CD2-CD2 4.25Å; W508-L527 HydrophobicContact CG-CD1 4.32Å; W508-L527 HydrophobicContact CG-CD2 3.86Å; W508-L527 HydrophobicContact CG-CG 4.27Å; W508-K554 HydrophobicContact CH2-CB 4.29Å; W508-K554 HydrophobicContact CH2-CD 4.04Å; W508-K554 HydrophobicContact CH2-CG 4.26Å; W508-K554 HydrophobicContact CZ2-CB 3.93Å; W508-K554 HydrophobicContact CZ2-CD 4.46Å; W508-K554 HydrophobicContact CZ2-CG 4.41Å; W508-V555 PolarHBondContact NE1-O 3.11Å; W508-N556 PolarHBondContact NE1-O 2.82Å; W508-N556 VanDerWaalsContact NE1-O 3.07Å; W508-F557 HydrophobicContact CD2-CB 4.18Å; W508-F557 HydrophobicContact CG-CB 4.12Å; W508-F557 HydrophobicContact CZ2-CB 4.44Å; W508-F557 HydrophobicContact CZ2-CD1 4.17Å
509	Y	98.5	Very high	96.2	Very high	10 Å²	10	43.6 Å²	43.6	4%	0.039	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	129.4	158.7	-179.6	-106.6	0	0	0	109.1	G491 Y492 P511 L527 V530 I534 I579 E580	G491-Y509 CarbonylContact O-C 3.19Å; G491-Y509 WeakPolarHBondContact O-CA 3.14Å; G491-Y509 WeakPolarHBondContact O-CD2 3.49Å; Y492-Y509 HydrophobicContact CD2-CD2 4.34Å; Y492-Y509 HydrophobicContact CE1-CD2 4.24Å; Y492-Y509 AromaticContact CE2-CD2 3.85Å; Y492-Y509 HydrophobicContact CE2-CD2 3.85Å; Y492-Y509 HydrophobicContact CE2-CE2 4.07Å; Y492-Y509 AromaticContact CZ-CD2 3.8Å; Y509-P511 HydrophobicContact CD1-CB 4.4Å; Y509-P511 HydrophobicContact CE1-CB 3.86Å; Y509-P511 WeakPolarHBondContact O-CD 3.21Å; Y509-L527 WeakPolarHBondContact O-CD1 3.43Å; Y509-V530 HydrophobicContact CD1-CG1 4.19Å; Y509-I534 HydrophobicContact CD1-CD1 3.58Å; Y509-I534 HydrophobicContact CE1-CD1 4.27Å; Y509-I534 HydrophobicContact CG-CD1 4.29Å; Y509-I579 HydrophobicContact CD1-CG2 4.26Å; Y509-I579 HydrophobicContact CD2-CG2 3.82Å; Y509-I579 HydrophobicContact CG-CG2 3.66Å; Y509-E580 HydrophobicContact CE2-CB 4.44Å; Y509-E580 HydrophobicContact CE2-CG 3.68Å
510	L	97.7	Very high	96.1	Very high	12 Å²	12	45.4 Å²	45.4	6%	0.063	22%	0.223	C	C	.	.			trans	-110.2	94.2	-178.7	-68.5	154.9	0	0	0	107.8	G491 Q493 I514 R515 L527	G491-L510 WeakPolarHBondContact CA-O 3.38Å; G491-L510 PolarHBondContact O-N 3.45Å; Q493-L510 HydrophobicContact CB-CD1 3.62Å; L510-I514 HydrophobicContact CD2-CG2 4.22Å; L510-R515 PolarHBondContact O-NE 3.09Å; L510-R515 PolarHBondContact O-NH2 3.04Å; L510-L527 HydrophobicContact CD2-CD1 4.1Å; L510-L527 HydrophobicContact CD2-CD2 4.34Å
511	P	96.9	Very high	96	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.242	C	C	.	.			trans	-64.9	162.1	179.6	30.6	-37.8	0	0	0	111	Y509 G513 I514 R515 V530 G583 L586	Y509-P511 HydrophobicContact CD1-CB 4.4Å; Y509-P511 HydrophobicContact CE1-CB 3.86Å; Y509-P511 WeakPolarHBondContact O-CD 3.21Å; P511-G513 PolarHBondContact O-N 2.77Å; P511-G513 VanDerWaalsContact O-N 3.13Å; P511-I514 HydrophobicContact CG-CB 4.06Å; P511-I514 HydrophobicContact CG-CD1 3.63Å; P511-I514 HydrophobicContact CG-CG1 3.86Å; P511-I514 PolarHBondContact O-N 3.1Å; P511-R515 PolarHBondContact O-N 3.44Å; P511-V530 HydrophobicContact CG-CG1 4.46Å; P511-V530 HydrophobicContact CG-CG2 3.99Å; P511-G583 VanDerWaalsContact CB-O 3.25Å; P511-G583 WeakPolarHBondContact CB-O 3.46Å; P511-L586 HydrophobicContact CB-CB 3.89Å; P511-L586 WeakPolarHBondContact CB-O 3.18Å; P511-L586 HydrophobicContact CG-CB 3.9Å
512	P	95.1	Very high	95.9	Very high	69 Å²	69	50.8 Å²	50.8	45%	0.448	25%	0.246	S	C	.	.	H	α-helix	trans	-51.5	-38.8	-176.6	-28.2	36.1	0	0	0	113.8	I514 H584	P512-I514 PolarHBondContact O-N 3.45Å; P512-H584 WeakPolarHBondContact CD-O 3.4Å
513	G	92.4	Very high	95.7	Very high	42 Å²	42	53 Å²	53	43%	0.433	26%	0.255	S	S	.	.	H	α-helix	trans	-68.1	-14.8	179.5	0	0	0	0	0	115.3	P511 M517	P511-G513 PolarHBondContact O-N 2.77Å; P511-G513 VanDerWaalsContact O-N 3.13Å; G513-M517 WeakPolarHBondContact O-CG 3.15Å
514	I	94.3	Very high	95.6	Very high	2 Å²	2	57 Å²	57	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-113.5	-28	-175.8	-61.6	179.6	0	0	0	112.2	L510 P511 P512 Y516 M517 K523 R526 V530	L510-I514 HydrophobicContact CD2-CG2 4.22Å; P511-I514 HydrophobicContact CG-CB 4.06Å; P511-I514 HydrophobicContact CG-CD1 3.63Å; P511-I514 HydrophobicContact CG-CG1 3.86Å; P511-I514 PolarHBondContact O-N 3.1Å; P512-I514 PolarHBondContact O-N 3.45Å; I514-Y516 VanDerWaalsContact C-N 3.28Å; I514-Y516 PolarHBondContact O-N 2.95Å; I514-M517 HydrophobicContact CG1-SD 4.38Å; I514-M517 PolarHBondContact O-N 2.88Å; I514-K523 HydrophobicContact CG2-CG 3.8Å; I514-R526 HydrophobicContact CD1-CB 3.66Å; I514-R526 HydrophobicContact CG1-CB 4.14Å; I514-V530 HydrophobicContact CD1-CG2 3.44Å; I514-V530 VanDerWaalsContact CD1-CG2 3.44Å
515	R	91.8	Very high	95.4	Very high	51 Å²	51	63 Å²	63	19%	0.192	30%	0.299	C	S	.	.	H	α-helix	trans	-51.6	-45.4	-171.3	-171.3	174	-66.3	168.5	0.8	113	E490 G491 L510 P511 K523	E490-R515 VanDerWaalsContact CG-NH1 3.27Å; E490-R515 WeakPolarHBondContact OE1-CD 3.46Å; E490-R515 IonicContact OE1-CZ 3.64Å; E490-R515 IonicContact OE1-NE 2.76Å; E490-R515 IonicContact OE1-NH1 3.67Å; E490-R515 PolarHBondContact OE1-NH1 3.08Å; E490-R515 IonicContact OE2-NH1 2.74Å; E490-R515 PolarHBondContact OE2-NH1 3.39Å; G491-R515 VanDerWaalsContact CA-CZ 3.46Å; L510-R515 PolarHBondContact O-NE 3.09Å; L510-R515 PolarHBondContact O-NH2 3.04Å; P511-R515 PolarHBondContact O-N 3.44Å; R515-K523 PolarHBondContact O-NZ 3.24Å
516	Y	90.4	Very high	95.4	Very high	173 Å²	173	68.4 Å²	68.4	68%	0.678	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	11.9	-173.4	-56.3	-70.9	0	0	0	114.3	E490 I514 E518	E490-Y516 PolarHBondContact OE1-OH 3.26Å; I514-Y516 VanDerWaalsContact C-N 3.28Å; I514-Y516 PolarHBondContact O-N 2.95Å; Y516-E518 PolarHBondContact O-N 2.79Å
517	M	93.1	Very high	95.3	Very high	42 Å²	42	69.1 Å²	69.1	21%	0.207	32%	0.323	C	S	.	.			trans	-70.7	127.4	177.3	-67.7	-174	71.7	0	0	111.6	G513 I514 E522 K523	G513-M517 WeakPolarHBondContact O-CG 3.15Å; I514-M517 HydrophobicContact CG1-SD 4.38Å; I514-M517 PolarHBondContact O-N 2.88Å; M517-E522 HydrophobicContact CE-CB 4.21Å; M517-E522 HydrophobicContact CE-CG 3.61Å; M517-K523 HydrophobicContact CB-CB 4.25Å; M517-K523 HydrophobicContact CB-CD 4.46Å; M517-K523 HydrophobicContact CB-CG 4.48Å
518	E	93.5	Very high	95.3	Very high	188 Å²	188	72.7 Å²	72.7	88%	0.879	34%	0.34	S	S	*	.			trans	-82.2	-36.2	177.9	-63.5	-173.5	170.2	0	0	113	Y516 K520	Y516-E518 PolarHBondContact O-N 2.79Å; E518-K520 PolarHBondContact O-N 2.68Å
519	D	95.1	Very high	95.2	Very high	96 Å²	96	78.5 Å²	78.5	51%	0.513	37%	0.366	S	S	.	.			trans	-67.2	106.1	176.7	-175.6	-26.2	0	0	0	110.1	E521 E522 K523	D519-E521 PolarHBondContact O-N 2.99Å; D519-E521 PolarHBondContact OD1-N 2.99Å; D519-E522 HydrophobicContact CB-CB 4.07Å; D519-E522 PolarHBondContact OD1-N 3.06Å; D519-K523 WeakPolarHBondContact O-CB 3.44Å; D519-K523 PolarHBondContact O-N 3.13Å
520	K	93.4	Very high	95.2	Very high	172 Å²	172	78.3 Å²	78.3	75%	0.748	37%	0.366	S	S	*	.	H	α-helix	trans	-65.5	-36.2	-176.6	-66.1	-175.2	179.4	-179.8	0	113.1	E518 K524	E518-K520 PolarHBondContact O-N 2.68Å; K520-K524 VanDerWaalsContact O-CB 3.29Å; K520-K524 WeakPolarHBondContact O-CB 3.4Å; K520-K524 PolarHBondContact O-N 3.47Å
521	E	94.8	Very high	95.3	Very high	121 Å²	121	77.9 Å²	77.9	57%	0.565	36%	0.364	S	S	*	.	H	α-helix	trans	-75.1	-43.7	-177.3	-73	-56.2	131.3	0	0	110.7	D519 K524 K525	D519-E521 PolarHBondContact O-N 2.99Å; D519-E521 PolarHBondContact OD1-N 2.99Å; E521-K524 PolarHBondContact O-N 2.79Å; E521-K525 WeakPolarHBondContact O-CG 3.34Å; E521-K525 PolarHBondContact O-N 3.22Å
522	E	95.6	Very high	95.4	Very high	60 Å²	60	79.5 Å²	79.5	28%	0.28	37%	0.374	S	S	.	.	H	α-helix	trans	-65.9	-41.6	173.8	-176.8	60.7	-167.7	0	0	111.3	M517 D519 K524 K525 R526	M517-E522 HydrophobicContact CE-CB 4.21Å; M517-E522 HydrophobicContact CE-CG 3.61Å; D519-E522 HydrophobicContact CB-CB 4.07Å; D519-E522 PolarHBondContact OD1-N 3.06Å; E522-K524 VanDerWaalsContact C-N 3.32Å; E522-K524 PolarHBondContact O-N 2.89Å; E522-K525 PolarHBondContact O-N 3.17Å; E522-R526 WeakPolarHBondContact O-CG 3.31Å; E522-R526 PolarHBondContact O-N 2.9Å; E522-R526 IonicContact OE1-CZ 3.89Å; E522-R526 IonicContact OE1-NE 2.84Å; E522-R526 PolarHBondContact OE1-NE 3.31Å; E522-R526 IonicContact OE1-NH2 3.16Å; E522-R526 PolarHBondContact OE1-NH2 3.37Å
523	K	95.4	Very high	95.5	Very high	48 Å²	48	78.9 Å²	78.9	21%	0.209	37%	0.369	C	S	.	.	H	α-helix	trans	-55.5	-46.9	173.1	-177.1	172.8	-171.9	165.4	0	111.1	I514 R515 M517 D519 R526 L527	I514-K523 HydrophobicContact CG2-CG 3.8Å; R515-K523 PolarHBondContact O-NZ 3.24Å; M517-K523 HydrophobicContact CB-CB 4.25Å; M517-K523 HydrophobicContact CB-CD 4.46Å; M517-K523 HydrophobicContact CB-CG 4.48Å; D519-K523 WeakPolarHBondContact O-CB 3.44Å; D519-K523 PolarHBondContact O-N 3.13Å; K523-R526 PolarHBondContact O-N 3.5Å; K523-L527 WeakPolarHBondContact O-CB 3.4Å; K523-L527 PolarHBondContact O-N 3.22Å
524	K	95.5	Very high	95.8	Very high	84 Å²	84	76.9 Å²	76.9	37%	0.365	35%	0.348	S	S	.	.	H	α-helix	trans	-62.3	-43.8	178.3	-174.2	174.7	-176.2	175.6	0	112	K520 E521 E522 L527 H528 D553 V555	K520-K524 VanDerWaalsContact O-CB 3.29Å; K520-K524 WeakPolarHBondContact O-CB 3.4Å; K520-K524 PolarHBondContact O-N 3.47Å; E521-K524 PolarHBondContact O-N 2.79Å; E522-K524 VanDerWaalsContact C-N 3.32Å; E522-K524 PolarHBondContact O-N 2.89Å; K524-L527 PolarHBondContact O-N 3.32Å; K524-H528 PolarHBondContact O-N 3.47Å; K524-D553 WeakPolarHBondContact CE-O 3.02Å; K524-D553 PolarHBondContact NZ-O 3.29Å; K524-V555 HydrophobicContact CD-CG1 4.16Å; K524-V555 HydrophobicContact CG-CG1 3.43Å; K524-V555 VanDerWaalsContact CG-CG1 3.43Å; K524-V555 HydrophobicContact CG-CG2 4.46Å
525	K	95.9	Very high	96	Very high	127 Å²	127	77.6 Å²	77.6	55%	0.552	35%	0.351	S	S	*	.	H	α-helix	trans	-62.7	-43.2	177.4	-73.6	172.4	-173.2	170.5	0	112.6	E521 E522	E521-K525 WeakPolarHBondContact O-CG 3.34Å; E521-K525 PolarHBondContact O-N 3.22Å; E522-K525 PolarHBondContact O-N 3.17Å
526	R	96.9	Very high	96.3	Very high	114 Å²	114	77.9 Å²	77.9	43%	0.43	37%	0.365	S	S	.	.	H	α-helix	trans	-69.8	-45.3	176.9	-67.4	-173	-175	-163.6	0.3	111.5	I514 E522 K523 H528 K529 V530	I514-R526 HydrophobicContact CD1-CB 3.66Å; I514-R526 HydrophobicContact CG1-CB 4.14Å; E522-R526 WeakPolarHBondContact O-CG 3.31Å; E522-R526 PolarHBondContact O-N 2.9Å; E522-R526 IonicContact OE1-CZ 3.89Å; E522-R526 IonicContact OE1-NE 2.84Å; E522-R526 PolarHBondContact OE1-NE 3.31Å; E522-R526 IonicContact OE1-NH2 3.16Å; E522-R526 PolarHBondContact OE1-NH2 3.37Å; K523-R526 PolarHBondContact O-N 3.5Å; R526-H528 PolarHBondContact O-N 3.47Å; R526-K529 WeakPolarHBondContact O-CB 3.36Å; R526-K529 PolarHBondContact O-N 3.01Å; R526-V530 PolarHBondContact O-N 2.93Å
527	L	97.7	Very high	96.7	Very high	14 Å²	14	72.4 Å²	72.4	7%	0.073	34%	0.343	C	S	.	.	H	α-helix	trans	-57.7	-36.9	178.7	-173.1	59.7	0	0	0	112.3	W508 Y509 L510 K523 K524 K529 V530 V555	W508-L527 HydrophobicContact CB-CD1 4.19Å; W508-L527 HydrophobicContact CB-CD2 4.33Å; W508-L527 HydrophobicContact CD2-CD2 4.25Å; W508-L527 HydrophobicContact CG-CD1 4.32Å; W508-L527 HydrophobicContact CG-CD2 3.86Å; W508-L527 HydrophobicContact CG-CG 4.27Å; Y509-L527 WeakPolarHBondContact O-CD1 3.43Å; L510-L527 HydrophobicContact CD2-CD1 4.1Å; L510-L527 HydrophobicContact CD2-CD2 4.34Å; K523-L527 WeakPolarHBondContact O-CB 3.4Å; K523-L527 PolarHBondContact O-N 3.22Å; K524-L527 PolarHBondContact O-N 3.32Å; L527-K529 PolarHBondContact O-N 2.9Å; L527-K529 VanDerWaalsContact O-N 3.15Å; L527-V530 HydrophobicContact CD1-CG2 4.29Å; L527-V530 PolarHBondContact O-N 3.25Å; L527-V530 VanDerWaalsContact O-N 3.16Å; L527-V555 HydrophobicContact CB-CG2 4.26Å; L527-V555 HydrophobicContact CD2-CG2 4.13Å; L527-V555 HydrophobicContact CG-CG2 4.08Å
528	H	98.1	Very high	97	Very high	77 Å²	77	70.4 Å²	70.4	36%	0.356	33%	0.333	S	S	.	.	H	α-helix	trans	-56	-29.9	174.4	-173.6	81	0	0	0	113.6	K524 R526 P532 V555 N556	K524-H528 PolarHBondContact O-N 3.47Å; R526-H528 PolarHBondContact O-N 3.47Å; H528-P532 WeakPolarHBondContact O-CD 2.91Å; H528-V555 HydrophobicContact CB-CB 3.81Å; H528-V555 HydrophobicContact CB-CG1 3.93Å; H528-V555 HydrophobicContact CB-CG2 4.48Å; H528-N556 PolarHBondContact CE1-ND2 2.88Å; H528-N556 PolarHBondContact NE2-ND2 3.1Å; H528-N556 PolarHBondContact O-ND2 3.13Å
529	K	98.3	Very high	97.1	Very high	146 Å²	146	63.4 Å²	63.4	64%	0.635	30%	0.301	S	S	*	.	H	α-helix	trans	-89	-18.9	-178.2	-60.8	-178.8	-179.1	-179.6	0	113.4	R526 L527 P532 V533	R526-K529 WeakPolarHBondContact O-CB 3.36Å; R526-K529 PolarHBondContact O-N 3.01Å; L527-K529 PolarHBondContact O-N 2.9Å; L527-K529 VanDerWaalsContact O-N 3.15Å; K529-P532 WeakPolarHBondContact O-CD 3.42Å; K529-V533 WeakPolarHBondContact O-CG2 3.46Å; K529-V533 PolarHBondContact O-N 3.26Å
530	V	98.5	Very high	97.2	Very high	7 Å²	7	65.2 Å²	65.2	4%	0.042	31%	0.306	C	S	.	.	H	α-helix	trans	-61.2	-56.7	-174.8	174.9	0	0	0	0	111.9	Y509 P511 I514 R526 L527 V533 I534 L586	Y509-V530 HydrophobicContact CD1-CG1 4.19Å; P511-V530 HydrophobicContact CG-CG1 4.46Å; P511-V530 HydrophobicContact CG-CG2 3.99Å; I514-V530 HydrophobicContact CD1-CG2 3.44Å; I514-V530 VanDerWaalsContact CD1-CG2 3.44Å; R526-V530 PolarHBondContact O-N 2.93Å; L527-V530 HydrophobicContact CD1-CG2 4.29Å; L527-V530 PolarHBondContact O-N 3.25Å; L527-V530 VanDerWaalsContact O-N 3.16Å; V530-V533 PolarHBondContact O-N 3.06Å; V530-V533 VanDerWaalsContact O-N 3.15Å; V530-I534 HydrophobicContact CG1-CD1 3.63Å; V530-I534 HydrophobicContact CG1-CG1 4.37Å; V530-I534 PolarHBondContact O-N 3.19Å; V530-L586 HydrophobicContact CG1-CD1 4.16Å
531	A	98.6	Very high	97.4	Very high	3 Å²	3	62.9 Å²	62.9	3%	0.025	29%	0.293	C	S	.	.	H	α-helix	trans	-60.6	-42.6	-176.3	0	0	0	0	0	113.5	V533 K535 Y548 N556 F558	A531-V533 PolarHBondContact O-N 3.42Å; A531-K535 VanDerWaalsContact O-CB 3.24Å; A531-K535 WeakPolarHBondContact O-CB 3.46Å; A531-K535 PolarHBondContact O-N 3.43Å; A531-Y548 HydrophobicContact CB-CD1 4.48Å; A531-Y548 HydrophobicContact CB-CD2 4.24Å; A531-Y548 HydrophobicContact CB-CG 3.92Å; A531-N556 HydrophobicContact CB-CB 4.26Å; A531-F558 HydrophobicContact CB-CD1 4.5Å; A531-F558 HydrophobicContact CB-CD2 4.28Å; A531-F558 HydrophobicContact CB-CE1 4.09Å; A531-F558 HydrophobicContact CB-CE2 3.84Å; A531-F558 HydrophobicContact CB-CZ 3.74Å
532	P	98.6	Very high	97.5	Very high	33 Å²	33	57.1 Å²	57.1	21%	0.214	27%	0.266	C	S	.	.	H	α-helix	trans	-54.4	-45.5	170.3	-26.4	30.2	0	0	0	114.9	H528 K529 K535 A536 Y548	H528-P532 WeakPolarHBondContact O-CD 2.91Å; K529-P532 WeakPolarHBondContact O-CD 3.42Å; P532-K535 PolarHBondContact O-N 3.4Å; P532-A536 PolarHBondContact O-N 2.76Å; P532-Y548 HydrophobicContact CB-CE1 4.37Å; P532-Y548 HydrophobicContact CB-CE2 4.27Å; P532-Y548 HydrophobicContact CG-CD2 4.34Å; P532-Y548 HydrophobicContact CG-CE1 4.48Å; P532-Y548 HydrophobicContact CG-CE2 3.61Å
533	V	98.5	Very high	97.6	Very high	56 Å²	56	56.1 Å²	56.1	34%	0.339	27%	0.265	S	S	.	.	H	α-helix	trans	-68.2	-47	-177.7	174.5	0	0	0	0	111	K529 V530 A531 K535 A536 R537 L586	K529-V533 WeakPolarHBondContact O-CG2 3.46Å; K529-V533 PolarHBondContact O-N 3.26Å; V530-V533 PolarHBondContact O-N 3.06Å; V530-V533 VanDerWaalsContact O-N 3.15Å; A531-V533 PolarHBondContact O-N 3.42Å; V533-K535 VanDerWaalsContact C-N 3.29Å; V533-K535 PolarHBondContact O-N 2.87Å; V533-A536 PolarHBondContact O-N 3.35Å; V533-R537 WeakPolarHBondContact O-CG 3.35Å; V533-R537 PolarHBondContact O-N 2.75Å; V533-L586 HydrophobicContact CB-CD1 4.26Å; V533-L586 HydrophobicContact CB-CD2 4.47Å; V533-L586 HydrophobicContact CG1-CD1 4.1Å; V533-L586 HydrophobicContact CG1-CD2 3.71Å
534	I	98.7	Very high	97.8	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-60.1	-42.3	176.1	-67.8	175.4	0	0	0	110.4	Y509 V530 A536 R537 M538 F558 I579 L582 L586	Y509-I534 HydrophobicContact CD1-CD1 3.58Å; Y509-I534 HydrophobicContact CE1-CD1 4.27Å; Y509-I534 HydrophobicContact CG-CD1 4.29Å; V530-I534 HydrophobicContact CG1-CD1 3.63Å; V530-I534 HydrophobicContact CG1-CG1 4.37Å; V530-I534 PolarHBondContact O-N 3.19Å; I534-A536 PolarHBondContact O-N 3.35Å; I534-R537 PolarHBondContact O-N 3.29Å; I534-M538 HydrophobicContact CG2-CE 3.82Å; I534-M538 HydrophobicContact CG2-CG 4.45Å; I534-M538 HydrophobicContact CG2-SD 4.38Å; I534-M538 WeakPolarHBondContact O-CG 3.47Å; I534-M538 PolarHBondContact O-N 2.65Å; I534-F558 HydrophobicContact CB-CZ 3.88Å; I534-F558 HydrophobicContact CD1-CE2 4.31Å; I534-F558 HydrophobicContact CD1-CZ 4.3Å; I534-F558 HydrophobicContact CG2-CE1 4.4Å; I534-F558 HydrophobicContact CG2-CZ 3.7Å; I534-I579 HydrophobicContact CD1-CG2 4.29Å; I534-L582 HydrophobicContact CG2-CB 4.09Å; I534-L586 HydrophobicContact CD1-CD1 4.22Å; I534-L586 HydrophobicContact CG1-CD1 3.77Å
535	K	98.4	Very high	97.9	Very high	17 Å²	17	50.1 Å²	50.1	7%	0.074	24%	0.239	C	C	.	.	H	α-helix	trans	-61.7	-43.3	176.2	175.4	57.6	169.3	-163.7	0	112.6	N181 A531 P532 V533 R537 M538 M539 V546 Y548	N181-K535 PolarHBondContact OD1-NZ 3.09Å; A531-K535 VanDerWaalsContact O-CB 3.24Å; A531-K535 WeakPolarHBondContact O-CB 3.46Å; A531-K535 PolarHBondContact O-N 3.43Å; P532-K535 PolarHBondContact O-N 3.4Å; V533-K535 VanDerWaalsContact C-N 3.29Å; V533-K535 PolarHBondContact O-N 2.87Å; K535-R537 VanDerWaalsContact C-N 3.31Å; K535-R537 PolarHBondContact O-N 3.44Å; K535-M538 WeakPolarHBondContact O-CB 3.48Å; K535-M538 PolarHBondContact O-N 3.47Å; K535-M539 HydrophobicContact CD-CG 4.26Å; K535-M539 HydrophobicContact CD-SD 4.27Å; K535-M539 HydrophobicContact CG-SD 4.34Å; K535-M539 WeakPolarHBondContact O-CG 3.32Å; K535-M539 PolarHBondContact O-N 3.03Å; K535-V546 WeakPolarHBondContact CD-O 3.4Å; K535-V546 WeakPolarHBondContact CE-O 3.31Å; K535-V546 PolarHBondContact NZ-O 3.06Å; K535-Y548 HydrophobicContact CB-CD1 3.66Å; K535-Y548 HydrophobicContact CB-CE1 3.57Å; K535-Y548 HydrophobicContact CG-CD1 3.89Å; K535-Y548 HydrophobicContact CG-CE1 3.67Å
536	A	98.3	Very high	98	Very high	57 Å²	57	44.1 Å²	44.1	47%	0.471	21%	0.213	S	C	.	.	H	α-helix	trans	-59.3	-46.1	176.8	0	0	0	0	0	110.6	P532 V533 I534 M538 M539 E540	P532-A536 PolarHBondContact O-N 2.76Å; V533-A536 PolarHBondContact O-N 3.35Å; I534-A536 PolarHBondContact O-N 3.35Å; A536-M538 PolarHBondContact O-N 2.87Å; A536-M539 PolarHBondContact O-N 3.32Å; A536-M539 VanDerWaalsContact O-N 3.17Å; A536-E540 PolarHBondContact O-N 2.81Å
537	R	98.4	Very high	98	Very high	59 Å²	59	39.3 Å²	39.3	22%	0.223	20%	0.197	C	C	.	.	H	α-helix	trans	-62.6	-41.8	175.7	-63.7	172.6	174.3	-169.4	-7.3	112.2	V533 I534 K535 M539 E540 Y541 L582 D585	V533-R537 WeakPolarHBondContact O-CG 3.35Å; V533-R537 PolarHBondContact O-N 2.75Å; I534-R537 PolarHBondContact O-N 3.29Å; K535-R537 VanDerWaalsContact C-N 3.31Å; K535-R537 PolarHBondContact O-N 3.44Å; R537-M539 VanDerWaalsContact C-N 3.25Å; R537-M539 PolarHBondContact O-N 3.4Å; R537-E540 PolarHBondContact O-N 3.4Å; R537-Y541 HydrophobicContact CB-CD2 4.36Å; R537-Y541 HydrophobicContact CB-CE2 4.42Å; R537-Y541 WeakPolarHBondContact O-CD2 3.28Å; R537-Y541 PolarHBondContact O-N 2.95Å; R537-L582 HydrophobicContact CB-CB 4.47Å; R537-L582 HydrophobicContact CB-CD1 4.25Å; R537-L582 HydrophobicContact CB-CD2 3.82Å; R537-L582 HydrophobicContact CB-CG 4.42Å; R537-L582 WeakPolarHBondContact CD-O 3.16Å; R537-L582 PolarHBondContact NH1-O 3.34Å; R537-D585 IonicContact CZ-OD1 3.19Å; R537-D585 IonicContact CZ-OD2 3.39Å; R537-D585 IonicContact NH1-OD1 2.73Å; R537-D585 PolarHBondContact NH1-OD1 3.32Å; R537-D585 IonicContact NH1-OD2 3.5Å; R537-D585 PolarHBondContact NH1-OD2 2.86Å; R537-D585 IonicContact NH2-OD1 3.29Å; R537-D585 PolarHBondContact NH2-OD1 3.21Å; R537-D585 IonicContact NH2-OD2 2.81Å; R537-D585 PolarHBondContact NH2-OD2 3.01Å
538	M	98.2	Very high	98.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-56.7	-39.7	174.3	-76.5	177.9	173	0	0	112.4	I534 K535 A536 G542 T544 V546 L575 I579 L582	I534-M538 HydrophobicContact CG2-CE 3.82Å; I534-M538 HydrophobicContact CG2-CG 4.45Å; I534-M538 HydrophobicContact CG2-SD 4.38Å; I534-M538 WeakPolarHBondContact O-CG 3.47Å; I534-M538 PolarHBondContact O-N 2.65Å; K535-M538 WeakPolarHBondContact O-CB 3.48Å; K535-M538 PolarHBondContact O-N 3.47Å; A536-M538 PolarHBondContact O-N 2.87Å; M538-G542 WeakPolarHBondContact O-CA 3.43Å; M538-G542 PolarHBondContact O-N 2.92Å; M538-T544 HydrophobicContact CE-CG2 3.84Å; M538-T544 HydrophobicContact CG-CG2 3.95Å; M538-T544 HydrophobicContact SD-CG2 3.92Å; M538-V546 HydrophobicContact CE-CG1 3.82Å; M538-V546 HydrophobicContact SD-CG1 3.67Å; M538-L575 HydrophobicContact CE-CD1 4.41Å; M538-I579 HydrophobicContact CE-CB 4.46Å; M538-I579 HydrophobicContact CE-CD1 4.18Å; M538-I579 HydrophobicContact CE-CG1 3.31Å; M538-L582 HydrophobicContact CB-CD1 4.16Å; M538-L582 HydrophobicContact CE-CD1 4.46Å; M538-L582 HydrophobicContact CG-CD1 3.33Å
539	M	97.1	Very high	98.1	Very high	40 Å²	40	40.6 Å²	40.6	20%	0.197	20%	0.199	C	C	.	.	H	α-helix	trans	-71.5	-40.5	178.3	-70.2	179.3	53.6	0	0	112	F136 K535 A536 R537 G542 M545	F136-M539 HydrophobicContact CB-CB 4.31Å; F136-M539 WeakPolarHBondContact CB-O 3.4Å; F136-M539 HydrophobicContact CD2-CB 4.5Å; F136-M539 HydrophobicContact CD2-CE 3.22Å; F136-M539 HydrophobicContact CE2-CE 3.17Å; F136-M539 HydrophobicContact CG-CB 4.2Å; F136-M539 HydrophobicContact CG-CE 3.96Å; F136-M539 HydrophobicContact CZ-CE 3.88Å; K535-M539 HydrophobicContact CD-CG 4.26Å; K535-M539 HydrophobicContact CD-SD 4.27Å; K535-M539 HydrophobicContact CG-SD 4.34Å; K535-M539 WeakPolarHBondContact O-CG 3.32Å; K535-M539 PolarHBondContact O-N 3.03Å; A536-M539 PolarHBondContact O-N 3.32Å; A536-M539 VanDerWaalsContact O-N 3.17Å; R537-M539 VanDerWaalsContact C-N 3.25Å; R537-M539 PolarHBondContact O-N 3.4Å; M539-G542 PolarHBondContact O-N 2.79Å; M539-M545 HydrophobicContact CG-CE 4.19Å; M539-M545 HydrophobicContact SD-CE 4.45Å
540	E	96.9	Very high	98.1	Very high	135 Å²	135	37.1 Å²	37.1	63%	0.631	19%	0.192	S	C	*	.	H	α-helix	trans	-63.9	-46.8	177.1	-174.7	176.7	-172	0	0	112.2	A536 R537	A536-E540 PolarHBondContact O-N 2.81Å; R537-E540 PolarHBondContact O-N 3.4Å
541	Y	97.4	Very high	98	Very high	122 Å²	122	37.9 Å²	37.9	48%	0.478	20%	0.195	S	C	.	.	H	α-helix	trans	-74.7	-28.5	176.4	-72.7	-71.2	0	0	0	112.8	R537 T543 L582	R537-Y541 HydrophobicContact CB-CD2 4.36Å; R537-Y541 HydrophobicContact CB-CE2 4.42Å; R537-Y541 WeakPolarHBondContact O-CD2 3.28Å; R537-Y541 PolarHBondContact O-N 2.95Å; Y541-T543 VanDerWaalsContact C-N 3.28Å; Y541-T543 PolarHBondContact O-N 3.48Å; Y541-L582 HydrophobicContact CD2-CD2 3.61Å; Y541-L582 HydrophobicContact CE2-CD2 3.69Å
542	G	97.7	Very high	97.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	18.1	179.6	0	0	0	0	0	114.5	K132 V133 I134 M538 M539	K132-G542 CarbonylContact C-O 3.5Å; K132-G542 WeakPolarHBondContact CA-O 3.28Å; V133-G542 PolarHBondContact N-O 3.3Å; I134-G542 WeakPolarHBondContact O-CA 3.48Å; M538-G542 WeakPolarHBondContact O-CA 3.43Å; M538-G542 PolarHBondContact O-N 2.92Å; M539-G542 PolarHBondContact O-N 2.79Å
543	T	96.9	Very high	97.4	Very high	39 Å²	39	45.7 Å²	45.7	24%	0.239	25%	0.254	C	S	.	.	S	Bend	trans	-81.5	-32.2	-172.2	48.6	0	0	0	0	114.1	Y541 F574 E578	Y541-T543 VanDerWaalsContact C-N 3.28Å; Y541-T543 PolarHBondContact O-N 3.48Å; T543-F574 HydrophobicContact CG2-CZ 4.49Å; T543-E578 WeakPolarHBondContact CB-OE1 3.39Å; T543-E578 PolarHBondContact OG1-OE1 3.38Å
544	T	98.4	Very high	97.3	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.251	C	S	.	.			trans	-159	164.8	-179.6	-173.2	0	0	0	0	109.4	R178 M538 L575 E578	R178-T544 WeakPolarHBondContact O-CA 3.16Å; R178-T544 PolarHBondContact O-OG1 2.89Å; M538-T544 HydrophobicContact CE-CG2 3.84Å; M538-T544 HydrophobicContact CG-CG2 3.95Å; M538-T544 HydrophobicContact SD-CG2 3.92Å; T544-L575 HydrophobicContact CG2-CD1 4.06Å; T544-E578 HydrophobicContact CG2-CB 4.42Å; T544-E578 HydrophobicContact CG2-CG 3.84Å
545	M	98.1	Very high	97.3	Very high	7 Å²	7	46.8 Å²	46.8	3%	0.034	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	120.3	169.5	-68.3	-176.7	76.6	0	0	111.2	V133 I134 I172 R178 Y179 F180 N181 M539	V133-M545 HydrophobicContact CB-CG 4.48Å; V133-M545 HydrophobicContact CG1-CB 4.3Å; V133-M545 HydrophobicContact CG1-CG 3.75Å; V133-M545 HydrophobicContact CG1-SD 3.73Å; I134-M545 HydrophobicContact CB-SD 4.24Å; I134-M545 HydrophobicContact CG2-CG 4.46Å; I134-M545 HydrophobicContact CG2-SD 3.82Å; I172-M545 HydrophobicContact CD1-CE 4.32Å; I172-M545 HydrophobicContact CG2-SD 4.15Å; R178-M545 PolarHBondContact O-N 2.86Å; Y179-M545 HydrophobicContact CD2-CB 4.04Å; Y179-M545 HydrophobicContact CD2-SD 4.16Å; Y179-M545 HydrophobicContact CE2-CB 4.35Å; Y179-M545 HydrophobicContact CE2-SD 4.05Å; F180-M545 CarbonylContact C-O 3.48Å; F180-M545 VanDerWaalsContact CA-O 3.29Å; F180-M545 WeakPolarHBondContact CA-O 3.42Å; F180-M545 PolarHBondContact N-O 3.48Å; N181-M545 HydrophobicContact CB-CB 4.08Å; N181-M545 PolarHBondContact N-O 3.37Å; M539-M545 HydrophobicContact CG-CE 4.19Å; M539-M545 HydrophobicContact SD-CE 4.45Å
546	V	97.9	Very high	97.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	148.9	168.5	56.9	0	0	0	0	110.3	N181 K535 M538 F558 M560 L575	N181-V546 PolarHBondContact OD1-O 3.14Å; K535-V546 WeakPolarHBondContact CD-O 3.4Å; K535-V546 WeakPolarHBondContact CE-O 3.31Å; K535-V546 PolarHBondContact NZ-O 3.06Å; M538-V546 HydrophobicContact CE-CG1 3.82Å; M538-V546 HydrophobicContact SD-CG1 3.67Å; V546-F558 HydrophobicContact CG1-CD1 3.62Å; V546-F558 HydrophobicContact CG1-CE1 3.89Å; V546-F558 HydrophobicContact CG2-CB 4.47Å; V546-F558 HydrophobicContact CG2-CD1 4.27Å; V546-M560 HydrophobicContact CB-SD 3.81Å; V546-M560 HydrophobicContact CG2-CG 3.76Å; V546-M560 HydrophobicContact CG2-SD 3.41Å; V546-M560 WeakPolarHBondContact CG2-SD 3.16Å; V546-L575 HydrophobicContact CB-CD1 4.42Å; V546-L575 HydrophobicContact CG1-CD1 4.28Å
547	S	97.5	Very high	97.3	Very high	14 Å²	14	43.8 Å²	43.8	10%	0.098	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	153	175.7	54.5	0	0	0	0	112.5	N181 R559	N181-S547 WeakPolarHBondContact O-CB 3.35Å; N181-S547 PolarHBondContact O-OG 3.45Å; S547-R559 PolarHBondContact O-N 3.4Å; S547-R559 PolarHBondContact OG-NE 3.24Å; S547-R559 PolarHBondContact OG-NH2 3.46Å; S547-R559 PolarHBondContact OG-O 3.42Å
548	Y	98.6	Very high	97.3	Very high	83 Å²	83	41 Å²	41	33%	0.325	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	156.3	167.4	74.5	-94.4	0	0	0	110.6	A531 P532 K535 N556 F557	A531-Y548 HydrophobicContact CB-CD1 4.48Å; A531-Y548 HydrophobicContact CB-CD2 4.24Å; A531-Y548 HydrophobicContact CB-CG 3.92Å; P532-Y548 HydrophobicContact CB-CE1 4.37Å; P532-Y548 HydrophobicContact CB-CE2 4.27Å; P532-Y548 HydrophobicContact CG-CD2 4.34Å; P532-Y548 HydrophobicContact CG-CE1 4.48Å; P532-Y548 HydrophobicContact CG-CE2 3.61Å; K535-Y548 HydrophobicContact CB-CD1 3.66Å; K535-Y548 HydrophobicContact CB-CE1 3.57Å; K535-Y548 HydrophobicContact CG-CD1 3.89Å; K535-Y548 HydrophobicContact CG-CE1 3.67Å; Y548-N556 HydrophobicContact CD2-CB 3.93Å; Y548-N556 HydrophobicContact CE2-CB 4.44Å; Y548-F557 WeakPolarHBondContact CA-O 3.45Å; Y548-F557 VanDerWaalsContact CB-O 3.28Å; Y548-F557 WeakPolarHBondContact CB-O 3.29Å
549	Q	98.5	Very high	97.3	Very high	34 Å²	34	41.8 Å²	41.8	16%	0.159	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	160.4	176.9	67.3	-79.2	1.3	0	0	111	V341 N556 F557 R559	V341-Q549 HydrophobicContact CG2-CG 4.41Å; Q549-N556 WeakPolarHBondContact O-CA 3.37Å; Q549-F557 PolarHBondContact N-O 3.03Å; Q549-F557 WeakPolarHBondContact O-CD1 3.31Å; Q549-F557 PolarHBondContact O-N 3Å; Q549-R559 VanDerWaalsContact NE2-CB 3.26Å
550	P	98	Very high	97.4	Very high	73 Å²	73	39.9 Å²	39.9	47%	0.474	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	167.2	165.2	35.7	-30.6	0	0	0	110.9	K554 N556	P550-K554 WeakPolarHBondContact CA-O 3.22Å; P550-K554 WeakPolarHBondContact CB-O 3.5Å; P550-N556 WeakPolarHBondContact CD-OD1 3.29Å
551	Q	96.3	Very high	97.4	Very high	24 Å²	24	33.5 Å²	33.5	11%	0.112	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	118	172.4	-173.3	171.1	-1.8	0	0	111.6	H281 D553 K554 F557	H281-Q551 PolarHBondContact CD2-NE2 3.28Å; H281-Q551 PolarHBondContact CE1-NE2 2.99Å; H281-Q551 VanDerWaalsContact CE1-NE2 3.29Å; H281-Q551 PolarHBondContact ND1-NE2 2.84Å; H281-Q551 PolarHBondContact NE2-NE2 3.49Å; Q551-D553 PolarHBondContact O-N 3.27Å; Q551-K554 PolarHBondContact N-O 2.91Å; Q551-K554 VanDerWaalsContact O-CB 3.26Å; Q551-K554 WeakPolarHBondContact O-CB 3.31Å; Q551-K554 PolarHBondContact O-N 3.41Å; Q551-F557 HydrophobicContact CB-CE1 3.79Å; Q551-F557 HydrophobicContact CB-CZ 3.83Å
552	G	92.4	Very high	97.5	Very high	83 Å²	83	27.7 Å²	27.7	86%	0.856	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.4	-122.4	-175.3	0	0	0	0	0	111.2
553	D	92.8	Very high	97.5	Very high	117 Å²	117	27.7 Å²	27.7	63%	0.626	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-7.3	177.1	67	-31.7	0	0	0	113.9	K524 Q551	K524-D553 WeakPolarHBondContact CE-O 3.02Å; K524-D553 PolarHBondContact NZ-O 3.29Å; Q551-D553 PolarHBondContact O-N 3.27Å
554	K	96.5	Very high	97.6	Very high	61 Å²	61	26 Å²	26	27%	0.265	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	126.3	-179.3	-59	-173.3	-178.6	64.3	0	110.7	Y342 V495 W508 P550 Q551 F557	Y342-K554 WeakPolarHBondContact OH-CD 3.35Å; Y342-K554 WeakPolarHBondContact OH-CE 3.5Å; V495-K554 HydrophobicContact CG1-CD 3.61Å; V495-K554 VanDerWaalsContact O-CE 3.23Å; V495-K554 WeakPolarHBondContact O-CE 3.41Å; W508-K554 HydrophobicContact CH2-CB 4.29Å; W508-K554 HydrophobicContact CH2-CD 4.04Å; W508-K554 HydrophobicContact CH2-CG 4.26Å; W508-K554 HydrophobicContact CZ2-CB 3.93Å; W508-K554 HydrophobicContact CZ2-CD 4.46Å; W508-K554 HydrophobicContact CZ2-CG 4.41Å; P550-K554 WeakPolarHBondContact CA-O 3.22Å; P550-K554 WeakPolarHBondContact CB-O 3.5Å; Q551-K554 PolarHBondContact N-O 2.91Å; Q551-K554 VanDerWaalsContact O-CB 3.26Å; Q551-K554 WeakPolarHBondContact O-CB 3.31Å; Q551-K554 PolarHBondContact O-N 3.41Å; K554-F557 HydrophobicContact CB-CD1 4.39Å; K554-F557 HydrophobicContact CB-CE1 4.19Å
555	V	98.1	Very high	97.5	Very high	17 Å²	17	28 Å²	28	10%	0.103	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	170.2	175.8	-63.8	0	0	0	0	111.6	W508 K524 L527 H528 F557	W508-V555 PolarHBondContact NE1-O 3.11Å; K524-V555 HydrophobicContact CD-CG1 4.16Å; K524-V555 HydrophobicContact CG-CG1 3.43Å; K524-V555 VanDerWaalsContact CG-CG1 3.43Å; K524-V555 HydrophobicContact CG-CG2 4.46Å; L527-V555 HydrophobicContact CB-CG2 4.26Å; L527-V555 HydrophobicContact CD2-CG2 4.13Å; L527-V555 HydrophobicContact CG-CG2 4.08Å; H528-V555 HydrophobicContact CB-CB 3.81Å; H528-V555 HydrophobicContact CB-CG1 3.93Å; H528-V555 HydrophobicContact CB-CG2 4.48Å; V555-F557 VanDerWaalsContact O-CD1 3.29Å; V555-F557 WeakPolarHBondContact O-CD1 3.45Å; V555-F557 PolarHBondContact O-N 3.45Å
556	N	98.7	Very high	97.5	Very high	11 Å²	11	28.8 Å²	28.8	6%	0.059	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-45.1	122.4	-179.1	-68.8	-32.5	0	0	0	112.6	W508 H528 A531 Y548 Q549 P550	W508-N556 PolarHBondContact NE1-O 2.82Å; W508-N556 VanDerWaalsContact NE1-O 3.07Å; H528-N556 PolarHBondContact CE1-ND2 2.88Å; H528-N556 PolarHBondContact NE2-ND2 3.1Å; H528-N556 PolarHBondContact O-ND2 3.13Å; A531-N556 HydrophobicContact CB-CB 4.26Å; Y548-N556 HydrophobicContact CD2-CB 3.93Å; Y548-N556 HydrophobicContact CE2-CB 4.44Å; Q549-N556 WeakPolarHBondContact O-CA 3.37Å; P550-N556 WeakPolarHBondContact CD-OD1 3.29Å
557	F	98.8	Very high	97.5	Very high	1 Å²	1	28.8 Å²	28.8	0%	0.004	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	158.5	172.2	53.1	-95.8	0	0	0	109.8	V341 Y342 V495 C506 F507 W508 Y548 Q549 Q551 K554 V555	V341-F557 HydrophobicContact CG1-CE2 3.62Å; V341-F557 HydrophobicContact CG1-CZ 3.69Å; Y342-F557 HydrophobicContact CE1-CE2 4.33Å; Y342-F557 AromaticContact CE1-CZ 3.99Å; Y342-F557 HydrophobicContact CE1-CZ 3.99Å; V495-F557 HydrophobicContact CB-CG 4.47Å; V495-F557 HydrophobicContact CG1-CD1 3.94Å; V495-F557 HydrophobicContact CG1-CD2 4.3Å; V495-F557 HydrophobicContact CG1-CE1 3.9Å; V495-F557 HydrophobicContact CG1-CE2 4.24Å; V495-F557 HydrophobicContact CG1-CG 4.16Å; V495-F557 HydrophobicContact CG1-CZ 4.05Å; V495-F557 HydrophobicContact CG2-CB 3.47Å; V495-F557 VanDerWaalsContact CG2-CB 3.47Å; V495-F557 HydrophobicContact CG2-CD1 3.94Å; V495-F557 HydrophobicContact CG2-CD2 3.71Å; V495-F557 HydrophobicContact CG2-CE2 4.4Å; V495-F557 HydrophobicContact CG2-CG 3.45Å; V495-F557 VanDerWaalsContact CG2-CG 3.45Å; C506-F557 HydrophobicContact CB-CD2 4.03Å; C506-F557 HydrophobicContact CB-CE2 3.99Å; F507-F557 WeakPolarHBondContact O-CB 3.39Å; W508-F557 HydrophobicContact CD2-CB 4.18Å; W508-F557 HydrophobicContact CG-CB 4.12Å; W508-F557 HydrophobicContact CZ2-CB 4.44Å; W508-F557 HydrophobicContact CZ2-CD1 4.17Å; Y548-F557 WeakPolarHBondContact CA-O 3.45Å; Y548-F557 VanDerWaalsContact CB-O 3.28Å; Y548-F557 WeakPolarHBondContact CB-O 3.29Å; Q549-F557 PolarHBondContact N-O 3.03Å; Q549-F557 WeakPolarHBondContact O-CD1 3.31Å; Q549-F557 PolarHBondContact O-N 3Å; Q551-F557 HydrophobicContact CB-CE1 3.79Å; Q551-F557 HydrophobicContact CB-CZ 3.83Å; K554-F557 HydrophobicContact CB-CD1 4.39Å; K554-F557 HydrophobicContact CB-CE1 4.19Å; V555-F557 VanDerWaalsContact O-CD1 3.29Å; V555-F557 WeakPolarHBondContact O-CD1 3.45Å; V555-F557 PolarHBondContact O-N 3.45Å
558	F	98.8	Very high	97.6	Very high	1 Å²	1	29.9 Å²	29.9	0%	0.004	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	139.7	172.2	-68.8	-74.2	0	0	0	110.6	C506 F507 A531 I534 V546 I579	C506-F558 VanDerWaalsContact CA-O 3.31Å; C506-F558 WeakPolarHBondContact CA-O 3.11Å; F507-F558 HydrophobicContact CD2-CB 4.27Å; F507-F558 HydrophobicContact CD2-CD2 4.37Å; F507-F558 HydrophobicContact CE1-CB 4.13Å; F507-F558 HydrophobicContact CE2-CB 3.83Å; F507-F558 AromaticContact CE2-CD2 3.86Å; F507-F558 HydrophobicContact CE2-CD2 3.86Å; F507-F558 HydrophobicContact CE2-CG 4.14Å; F507-F558 HydrophobicContact CZ-CB 3.77Å; F507-F558 HydrophobicContact CZ-CD2 4.49Å; F507-F558 HydrophobicContact CZ-CG 4.33Å; F507-F558 PolarHBondContact N-O 3.15Å; F507-F558 PolarHBondContact O-N 3.26Å; A531-F558 HydrophobicContact CB-CD1 4.5Å; A531-F558 HydrophobicContact CB-CD2 4.28Å; A531-F558 HydrophobicContact CB-CE1 4.09Å; A531-F558 HydrophobicContact CB-CE2 3.84Å; A531-F558 HydrophobicContact CB-CZ 3.74Å; I534-F558 HydrophobicContact CB-CZ 3.88Å; I534-F558 HydrophobicContact CD1-CE2 4.31Å; I534-F558 HydrophobicContact CD1-CZ 4.3Å; I534-F558 HydrophobicContact CG2-CE1 4.4Å; I534-F558 HydrophobicContact CG2-CZ 3.7Å; V546-F558 HydrophobicContact CG1-CD1 3.62Å; V546-F558 HydrophobicContact CG1-CE1 3.89Å; V546-F558 HydrophobicContact CG2-CB 4.47Å; V546-F558 HydrophobicContact CG2-CD1 4.27Å; F558-I579 HydrophobicContact CE2-CG2 4.45Å
559	R	98.4	Very high	97.6	Very high	16 Å²	16	29.4 Å²	29.4	6%	0.06	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	101	167.5	178.8	-153	66.8	178.7	-5.8	108.3	N181 T340 V341 S547 Q549 V561	N181-R559 PolarHBondContact O-NH2 3.22Å; T340-R559 VanDerWaalsContact CG2-NH1 3.33Å; T340-R559 VanDerWaalsContact O-CD 3.28Å; T340-R559 WeakPolarHBondContact O-CD 3.24Å; T340-R559 PolarHBondContact O-NH1 3.4Å; V341-R559 WeakPolarHBondContact O-CD 3.26Å; V341-R559 WeakPolarHBondContact O-CG 3.3Å; S547-R559 PolarHBondContact O-N 3.4Å; S547-R559 PolarHBondContact OG-NE 3.24Å; S547-R559 PolarHBondContact OG-NH2 3.46Å; S547-R559 PolarHBondContact OG-O 3.42Å; Q549-R559 VanDerWaalsContact NE2-CB 3.26Å; R559-V561 HydrophobicContact CG-CG1 4.1Å
560	M	97.7	Very high	97.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	137.4	168.6	-90.1	-61.9	-69.2	0	0	110.8	F180 L482 N504 V505 F507 V546 I562 L575	F180-M560 HydrophobicContact CB-CE 3.64Å; F180-M560 HydrophobicContact CB-SD 3.44Å; F180-M560 WeakPolarHBondContact CB-SD 3.34Å; F180-M560 HydrophobicContact CD1-CE 3.65Å; F180-M560 HydrophobicContact CD2-CE 3.71Å; F180-M560 HydrophobicContact CD2-SD 4.05Å; F180-M560 HydrophobicContact CE1-CE 4.17Å; F180-M560 HydrophobicContact CE2-CE 4.2Å; F180-M560 HydrophobicContact CG-CE 3.39Å; F180-M560 HydrophobicContact CG-SD 3.82Å; F180-M560 HydrophobicContact CZ-CE 4.41Å; L482-M560 HydrophobicContact CD2-CB 3.65Å; L482-M560 HydrophobicContact CD2-CE 4.11Å; L482-M560 HydrophobicContact CD2-CG 3.81Å; N504-M560 CarbonylContact C-O 3.45Å; N504-M560 WeakPolarHBondContact CA-O 3.43Å; V505-M560 HydrophobicContact CB-CB 4.24Å; V505-M560 PolarHBondContact N-O 3.29Å; V505-M560 PolarHBondContact O-N 2.87Å; F507-M560 HydrophobicContact CE1-CB 4.18Å; F507-M560 HydrophobicContact CE1-CG 3.75Å; F507-M560 HydrophobicContact CZ-CG 4.2Å; V546-M560 HydrophobicContact CB-SD 3.81Å; V546-M560 HydrophobicContact CG2-CG 3.76Å; V546-M560 HydrophobicContact CG2-SD 3.41Å; V546-M560 WeakPolarHBondContact CG2-SD 3.16Å; M560-I562 HydrophobicContact CE-CG1 4.28Å; M560-L575 HydrophobicContact CE-CD2 3.29Å; M560-L575 HydrophobicContact CG-CD2 3.62Å; M560-L575 HydrophobicContact SD-CD1 4.3Å; M560-L575 HydrophobicContact SD-CD2 3.21Å; M560-L575 WeakPolarHBondContact SD-CD2 3.43Å; M560-L575 HydrophobicContact SD-CG 4.37Å
561	V	97.9	Very high	97.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.176	C	C	.	.			trans	-137.9	136	175.6	-67.2	0	0	0	0	109	F180 Q182 L183 T503 N504 R559	F180-V561 VanDerWaalsContact O-CG2 3.32Å; F180-V561 WeakPolarHBondContact O-CG2 3.47Å; Q182-V561 WeakPolarHBondContact O-CG2 3.24Å; L183-V561 HydrophobicContact CD2-CB 4.24Å; L183-V561 HydrophobicContact CD2-CG1 3.75Å; T503-V561 WeakPolarHBondContact O-CA 3.19Å; N504-V561 WeakPolarHBondContact ND2-CG1 3.26Å; R559-V561 HydrophobicContact CG-CG1 4.1Å
562	I	98.6	Very high	97.8	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.171	C	C	.	.			trans	-123.1	109.7	-177.5	-54	167.3	0	0	0	107.8	C475 L478 T503 M560 A567 I572	C475-I562 HydrophobicContact CB-CG2 4.04Å; L478-I562 HydrophobicContact CB-CD1 3.85Å; L478-I562 HydrophobicContact CB-CG2 4.28Å; L478-I562 HydrophobicContact CD1-CG2 4.1Å; T503-I562 WeakPolarHBondContact CB-O 3.3Å; T503-I562 VanDerWaalsContact CG2-O 3.25Å; T503-I562 WeakPolarHBondContact CG2-O 3.42Å; T503-I562 PolarHBondContact OG1-N 3.14Å; T503-I562 PolarHBondContact OG1-O 3.18Å; M560-I562 HydrophobicContact CE-CG1 4.28Å; I562-A567 HydrophobicContact CG2-CB 4.49Å; I562-I572 HydrophobicContact CD1-CD1 3.69Å; I562-I572 HydrophobicContact CG1-CD1 4.37Å
563	S	98.4	Very high	98.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.14	C	C	.	.			trans	-133.3	-0.9	170.6	51.8	0	0	0	0	113.2	L183 T185 S400 P565	L183-S563 WeakPolarHBondContact O-CB 3.33Å; L183-S563 PolarHBondContact O-OG 3.4Å; T185-S563 VanDerWaalsContact OG1-C 3.32Å; T185-S563 PolarHBondContact OG1-OG 2.64Å; S400-S563 PolarHBondContact OG-O 2.85Å; S563-P565 WeakPolarHBondContact O-CD 3.44Å
564	N	98.3	Very high	98.3	Very high	3 Å²	3	23.4 Å²	23.4	2%	0.016	12%	0.119	C	C	.	.			trans	-85.8	117.3	179.5	-169.8	-10.8	0	0	0	109.7	A175 H176 T185 G186 A566 A567	A175-N564 PolarHBondContact O-ND2 3.05Å; H176-N564 PolarHBondContact O-ND2 2.94Å; H176-N564 VanDerWaalsContact O-ND2 3.08Å; T185-N564 WeakPolarHBondContact OG1-CA 3.42Å; T185-N564 WeakPolarHBondContact OG1-CB 3.26Å; T185-N564 PolarHBondContact OG1-N 3.04Å; G186-N564 WeakPolarHBondContact CA-OD1 3.47Å; N564-A566 PolarHBondContact O-N 3.15Å; N564-A566 VanDerWaalsContact OD1-CB 3.28Å; N564-A566 WeakPolarHBondContact OD1-CB 3.26Å; N564-A566 PolarHBondContact OD1-N 3.46Å; N564-A567 WeakPolarHBondContact O-CB 3.46Å; N564-A567 PolarHBondContact O-N 3.44Å
565	P	97	Very high	98.4	Very high	42 Å²	42	20.5 Å²	20.5	27%	0.273	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-20.9	177	-20.9	34.6	0	0	0	113.4	Q471 K474 S563 A567	Q471-P565 VanDerWaalsContact CD-CG 3.43Å; Q471-P565 HydrophobicContact CG-CB 4.1Å; Q471-P565 HydrophobicContact CG-CG 3.66Å; K474-P565 PolarHBondContact NZ-O 3.27Å; S563-P565 WeakPolarHBondContact O-CD 3.44Å; P565-A567 VanDerWaalsContact C-N 3.31Å
566	A	98.4	Very high	98.5	Very high	25 Å²	25	20 Å²	20	21%	0.207	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-16.2	179.2	0	0	0	0	0	113.8	F127 R129 P177 N564	F127-A566 HydrophobicContact CD1-CB 4.11Å; F127-A566 HydrophobicContact CE1-CB 4.17Å; R129-A566 PolarHBondContact NH2-O 3.07Å; R129-A566 VanDerWaalsContact NH2-O 3.07Å; P177-A566 HydrophobicContact CB-CB 4.5Å; P177-A566 HydrophobicContact CG-CB 4.12Å; N564-A566 PolarHBondContact O-N 3.15Å; N564-A566 VanDerWaalsContact OD1-CB 3.28Å; N564-A566 WeakPolarHBondContact OD1-CB 3.26Å; N564-A566 PolarHBondContact OD1-N 3.46Å
567	A	98.6	Very high	98.4	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.126	C	C	.	.			trans	-65.4	143.9	175.1	0	0	0	0	0	111.1	F180 K474 L478 I562 N564 P565 D571	F180-A567 HydrophobicContact CE1-CB 4.08Å; K474-A567 WeakPolarHBondContact CE-O 3.35Å; K474-A567 PolarHBondContact NZ-O 2.89Å; L478-A567 HydrophobicContact CD1-CB 4.05Å; L478-A567 WeakPolarHBondContact CD1-O 2.96Å; I562-A567 HydrophobicContact CG2-CB 4.49Å; N564-A567 WeakPolarHBondContact O-CB 3.46Å; N564-A567 PolarHBondContact O-N 3.44Å; P565-A567 VanDerWaalsContact C-N 3.31Å; A567-D571 WeakPolarHBondContact CA-OD2 3.22Å
568	T	98.8	Very high	98.4	Very high	36 Å²	36	25.4 Å²	25.4	22%	0.221	13%	0.128	C	C	.	.			trans	-129.3	175.1	177.1	70.3	0	0	0	0	111.2	E570 D571 I572	T568-E570 WeakPolarHBondContact CB-OE2 3.46Å; T568-E570 PolarHBondContact O-N 2.83Å; T568-E570 PolarHBondContact OG1-OE2 3.26Å; T568-D571 PolarHBondContact N-OD2 3.3Å; T568-D571 PolarHBondContact O-N 3.13Å; T568-D571 PolarHBondContact OG1-OD2 3.04Å; T568-I572 WeakPolarHBondContact O-CG1 3.13Å; T568-I572 PolarHBondContact O-N 3.32Å
569	F	98.8	Very high	98.4	Very high	73 Å²	73	25.3 Å²	25.3	32%	0.32	13%	0.128	S	C	.	.	H	α-helix	trans	-59.8	-37.3	176.6	-65.4	-78.7	0	0	0	111.8	E477 L478 Y481 D571 I572 D573	E477-F569 HydrophobicContact CG-CE1 4.46Å; E477-F569 HydrophobicContact CG-CZ 4.13Å; L478-F569 HydrophobicContact CD2-CD1 3.68Å; L478-F569 HydrophobicContact CD2-CD2 4.19Å; L478-F569 HydrophobicContact CD2-CE1 3.84Å; L478-F569 HydrophobicContact CD2-CE2 4.33Å; L478-F569 HydrophobicContact CD2-CG 3.87Å; L478-F569 HydrophobicContact CD2-CZ 4.16Å; Y481-F569 AromaticContact CD1-CD1 3.63Å; Y481-F569 HydrophobicContact CD1-CD1 3.63Å; Y481-F569 HydrophobicContact CD1-CE1 4.4Å; Y481-F569 AromaticContact CD2-CD1 3.81Å; Y481-F569 HydrophobicContact CD2-CD1 3.81Å; Y481-F569 HydrophobicContact CD2-CE1 4.09Å; Y481-F569 HydrophobicContact CE1-CB 4.23Å; Y481-F569 HydrophobicContact CE1-CD1 4.03Å; Y481-F569 HydrophobicContact CE2-CD1 4.2Å; Y481-F569 AromaticContact CG-CD1 3.5Å; Y481-F569 HydrophobicContact CG-CD1 3.5Å; Y481-F569 AromaticContact CG-CE1 3.86Å; Y481-F569 HydrophobicContact CG-CE1 3.86Å; F569-D571 VanDerWaalsContact C-N 3.3Å; F569-D571 PolarHBondContact O-N 3.14Å; F569-I572 WeakPolarHBondContact O-CB 3.44Å; F569-I572 PolarHBondContact O-N 3.46Å; F569-I572 VanDerWaalsContact O-N 3.08Å; F569-D573 PolarHBondContact O-N 3.49Å
570	E	98.7	Very high	98.4	Very high	123 Å²	123	26.7 Å²	26.7	58%	0.575	14%	0.135	S	C	*	.	H	α-helix	trans	-64.6	-33	177.5	-59.1	75.7	-165.4	0	0	112.2	T568 I572 D573 F574	T568-E570 WeakPolarHBondContact CB-OE2 3.46Å; T568-E570 PolarHBondContact O-N 2.83Å; T568-E570 PolarHBondContact OG1-OE2 3.26Å; E570-I572 VanDerWaalsContact C-N 3.3Å; E570-D573 PolarHBondContact O-N 3.35Å; E570-F574 VanDerWaalsContact O-CB 3.31Å; E570-F574 WeakPolarHBondContact O-CB 3.4Å; E570-F574 PolarHBondContact O-N 3.03Å
571	D	98.8	Very high	98.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-70	-31.3	174.4	-61.6	-50.2	0	0	0	112	R129 P177 R178 F180 A567 T568 F569 L575	R129-D571 IonicContact CZ-OD1 3.84Å; R129-D571 IonicContact CZ-OD2 2.77Å; R129-D571 IonicContact NE-OD1 2.68Å; R129-D571 PolarHBondContact NE-OD1 2.99Å; R129-D571 IonicContact NE-OD2 3.44Å; R129-D571 PolarHBondContact NE-OD2 3.39Å; R129-D571 IonicContact NH2-OD1 3.42Å; R129-D571 IonicContact NH2-OD2 3.61Å; R129-D571 PolarHBondContact NH2-OD2 3.29Å; P177-D571 WeakPolarHBondContact CB-OD2 3.49Å; R178-D571 HydrophobicContact CG-CB 4.26Å; R178-D571 IonicContact NE-OD1 2.87Å; R178-D571 PolarHBondContact NE-OD1 2.71Å; F180-D571 HydrophobicContact CZ-CB 4.19Å; A567-D571 WeakPolarHBondContact CA-OD2 3.22Å; T568-D571 PolarHBondContact N-OD2 3.3Å; T568-D571 PolarHBondContact O-N 3.13Å; T568-D571 PolarHBondContact OG1-OD2 3.04Å; F569-D571 VanDerWaalsContact C-N 3.3Å; F569-D571 PolarHBondContact O-N 3.14Å; D571-L575 PolarHBondContact O-N 3.24Å; D571-L575 VanDerWaalsContact O-N 3.1Å
572	I	98.8	Very high	98.4	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-70	-44.6	173.8	-55.6	-51.8	0	0	0	110.3	F180 L478 Y481 L482 I562 T568 F569 E570 L575 I576	F180-I572 HydrophobicContact CE1-CD1 4.43Å; F180-I572 HydrophobicContact CZ-CD1 4.31Å; L478-I572 HydrophobicContact CB-CG1 4.42Å; L478-I572 HydrophobicContact CD2-CG1 4.28Å; Y481-I572 HydrophobicContact CD1-CB 4.1Å; Y481-I572 HydrophobicContact CD1-CG2 3.89Å; Y481-I572 HydrophobicContact CE1-CB 4.24Å; Y481-I572 HydrophobicContact CE1-CG2 4.2Å; L482-I572 HydrophobicContact CB-CG2 3.61Å; L482-I572 HydrophobicContact CD1-CG2 3.77Å; L482-I572 HydrophobicContact CG-CG2 4.16Å; I562-I572 HydrophobicContact CD1-CD1 3.69Å; I562-I572 HydrophobicContact CG1-CD1 4.37Å; T568-I572 WeakPolarHBondContact O-CG1 3.13Å; T568-I572 PolarHBondContact O-N 3.32Å; F569-I572 WeakPolarHBondContact O-CB 3.44Å; F569-I572 PolarHBondContact O-N 3.46Å; F569-I572 VanDerWaalsContact O-N 3.08Å; E570-I572 VanDerWaalsContact C-N 3.3Å; I572-L575 PolarHBondContact O-N 3.23Å; I572-I576 HydrophobicContact CG2-CD1 4.34Å; I572-I576 WeakPolarHBondContact O-CG1 3.17Å; I572-I576 PolarHBondContact O-N 3.48Å
573	D	98.7	Very high	98.4	Very high	37 Å²	37	32 Å²	32	20%	0.198	16%	0.155	C	C	.	.	H	α-helix	trans	-61.1	-47.6	175.7	-72.8	-39.4	0	0	0	111.2	Y481 K485 F569 E570 L575 I576 E577	Y481-D573 VanDerWaalsContact OH-CG 3.3Å; Y481-D573 PolarHBondContact OH-OD1 3.06Å; Y481-D573 PolarHBondContact OH-OD2 3.02Å; K485-D573 WeakPolarHBondContact CE-OD1 3.37Å; K485-D573 IonicContact NZ-OD1 2.75Å; K485-D573 PolarHBondContact NZ-OD1 2.97Å; K485-D573 IonicContact NZ-OD2 3.45Å; F569-D573 PolarHBondContact O-N 3.49Å; E570-D573 PolarHBondContact O-N 3.35Å; D573-L575 VanDerWaalsContact C-N 3.3Å; D573-L575 PolarHBondContact O-N 3.36Å; D573-I576 VanDerWaalsContact O-N 3.14Å; D573-I576 PolarHBondContact O-N 3.38Å; D573-E577 PolarHBondContact O-N 3.41Å; D573-E577 WeakPolarHBondContact O-CG 3.47Å
574	F	98.8	Very high	98.3	Very high	45 Å²	45	37.6 Å²	37.6	20%	0.197	18%	0.181	C	C	.	.	H	α-helix	trans	-54.9	-43.8	175.5	177.5	-91.5	0	0	0	112.3	R178 T543 E570 I576 E577 E578	R178-F574 VanDerWaalsContact CD-CD1 3.48Å; R178-F574 HydrophobicContact CG-CD1 4.32Å; T543-F574 HydrophobicContact CG2-CZ 4.49Å; E570-F574 VanDerWaalsContact O-CB 3.31Å; E570-F574 WeakPolarHBondContact O-CB 3.4Å; E570-F574 PolarHBondContact O-N 3.03Å; F574-I576 PolarHBondContact O-N 3.41Å; F574-E577 PolarHBondContact O-N 3.36Å; F574-E578 HydrophobicContact CD1-CB 4.41Å; F574-E578 HydrophobicContact CE1-CB 4.09Å; F574-E578 HydrophobicContact CE1-CG 4.2Å; F574-E578 HydrophobicContact CZ-CB 4.41Å; F574-E578 HydrophobicContact CZ-CG 4.4Å; F574-E578 WeakPolarHBondContact O-CB 3.35Å; F574-E578 PolarHBondContact O-N 2.88Å
575	L	98.6	Very high	98.1	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-61.4	-44.6	179	174.4	80.9	0	0	0	112.2	F180 M538 T544 V546 M560 D571 I572 D573 E577 E578 I579	F180-L575 HydrophobicContact CD2-CD1 4.25Å; F180-L575 HydrophobicContact CD2-CD2 4.5Å; M538-L575 HydrophobicContact CE-CD1 4.41Å; T544-L575 HydrophobicContact CG2-CD1 4.06Å; V546-L575 HydrophobicContact CB-CD1 4.42Å; V546-L575 HydrophobicContact CG1-CD1 4.28Å; M560-L575 HydrophobicContact CE-CD2 3.29Å; M560-L575 HydrophobicContact CG-CD2 3.62Å; M560-L575 HydrophobicContact SD-CD1 4.3Å; M560-L575 HydrophobicContact SD-CD2 3.21Å; M560-L575 WeakPolarHBondContact SD-CD2 3.43Å; M560-L575 HydrophobicContact SD-CG 4.37Å; D571-L575 PolarHBondContact O-N 3.24Å; D571-L575 VanDerWaalsContact O-N 3.1Å; I572-L575 PolarHBondContact O-N 3.23Å; D573-L575 VanDerWaalsContact C-N 3.3Å; D573-L575 PolarHBondContact O-N 3.36Å; L575-E577 VanDerWaalsContact C-N 3.33Å; L575-E578 PolarHBondContact O-N 2.97Å; L575-I579 HydrophobicContact CG-CD1 4.05Å; L575-I579 PolarHBondContact O-N 3.48Å; L575-I579 WeakPolarHBondContact O-CG1 3.41Å; L575-I579 HydrophobicContact CD1-CD1 4.22Å
576	I	98.6	Very high	97.9	Very high	5 Å²	5	42.9 Å²	42.9	3%	0.026	21%	0.207	C	C	.	.	H	α-helix	trans	-61.9	-46.6	-179.4	-64.5	165.2	0	0	0	109.4	L482 K485 I486 Y492 I572 D573 F574 E578 I579 E580	L482-I576 HydrophobicContact CD1-CD1 3.85Å; L482-I576 HydrophobicContact CD1-CG1 3.91Å; K485-I576 HydrophobicContact CB-CD1 3.89Å; I486-I576 HydrophobicContact CG2-CD1 3.72Å; I486-I576 HydrophobicContact CG2-CG1 3.89Å; I486-I576 HydrophobicContact CG2-CG2 4.41Å; Y492-I576 HydrophobicContact CE2-CG2 4.05Å; Y492-I576 PolarHBondContact OH-O 3.37Å; I572-I576 HydrophobicContact CG2-CD1 4.34Å; I572-I576 WeakPolarHBondContact O-CG1 3.17Å; I572-I576 PolarHBondContact O-N 3.48Å; D573-I576 VanDerWaalsContact O-N 3.14Å; D573-I576 PolarHBondContact O-N 3.38Å; F574-I576 PolarHBondContact O-N 3.41Å; I576-E578 VanDerWaalsContact C-N 3.33Å; I576-E578 PolarHBondContact O-N 3.29Å; I576-I579 PolarHBondContact O-N 3.48Å; I576-E580 WeakPolarHBondContact O-CG 3.5Å; I576-E580 PolarHBondContact O-N 3.42Å; I576-E580 VanDerWaalsContact O-N 3.13Å
577	E	98.3	Very high	97.9	Very high	116 Å²	116	43.8 Å²	43.8	54%	0.542	21%	0.207	S	C	.	.	H	α-helix	trans	-64	-38.8	177.4	-68.5	172.4	-176.2	0	0	111.7	D573 F574 L575 E580 R581	D573-E577 PolarHBondContact O-N 3.41Å; D573-E577 WeakPolarHBondContact O-CG 3.47Å; F574-E577 PolarHBondContact O-N 3.36Å; L575-E577 VanDerWaalsContact C-N 3.33Å; E577-E580 WeakPolarHBondContact O-CB 3.35Å; E577-E580 PolarHBondContact O-N 3.27Å; E577-R581 WeakPolarHBondContact O-CB 3.43Å; E577-R581 PolarHBondContact O-N 3.45Å
578	E	98.5	Very high	97.9	Very high	10 Å²	10	46.1 Å²	46.1	5%	0.047	22%	0.218	C	C	.	.	H	α-helix	trans	-70.9	-38.4	-179.6	-173.6	66	172.4	0	0	111.8	T543 T544 F574 L575 I576 E580 R581 L582	T543-E578 WeakPolarHBondContact CB-OE1 3.39Å; T543-E578 PolarHBondContact OG1-OE1 3.38Å; T544-E578 HydrophobicContact CG2-CB 4.42Å; T544-E578 HydrophobicContact CG2-CG 3.84Å; F574-E578 HydrophobicContact CD1-CB 4.41Å; F574-E578 HydrophobicContact CE1-CB 4.09Å; F574-E578 HydrophobicContact CE1-CG 4.2Å; F574-E578 HydrophobicContact CZ-CB 4.41Å; F574-E578 HydrophobicContact CZ-CG 4.4Å; F574-E578 WeakPolarHBondContact O-CB 3.35Å; F574-E578 PolarHBondContact O-N 2.88Å; L575-E578 PolarHBondContact O-N 2.97Å; I576-E578 VanDerWaalsContact C-N 3.33Å; I576-E578 PolarHBondContact O-N 3.29Å; E578-E580 PolarHBondContact O-N 3.2Å; E578-E580 VanDerWaalsContact C-N 3.3Å; E578-R581 PolarHBondContact O-N 3.16Å; E578-R581 IonicContact OE1-CZ 2.69Å; E578-R581 IonicContact OE1-NE 3.45Å; E578-R581 IonicContact OE1-NH2 3.42Å; E578-R581 PolarHBondContact OE1-NH2 2.97Å; E578-R581 IonicContact OE2-CZ 3.32Å; E578-R581 IonicContact OE2-NE 2.86Å; E578-R581 PolarHBondContact OE2-NE 2.92Å; E578-R581 IonicContact OE2-NH2 3.4Å; E578-R581 PolarHBondContact OE2-NH2 3.28Å; E578-L582 PolarHBondContact O-N 3.27Å; E578-L582 WeakPolarHBondContact O-CG 3.39Å; E578-L582 HydrophobicContact CG-CG 4.29Å; E578-L582 HydrophobicContact CG-CD1 3.92Å; E578-L582 WeakPolarHBondContact O-CB 3.35Å
579	I	98.6	Very high	97.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.3	-42.1	171.6	-72	169.9	0	0	0	110.5	Y492 F507 Y509 I534 M538 F558 L575 I576 G583	Y492-I579 HydrophobicContact CE1-CG2 4.4Å; Y492-I579 WeakPolarHBondContact OH-CB 3.14Å; Y492-I579 WeakPolarHBondContact OH-CG2 3.37Å; F507-I579 HydrophobicContact CE2-CD1 3.85Å; F507-I579 HydrophobicContact CZ-CD1 3.72Å; Y509-I579 HydrophobicContact CD1-CG2 4.26Å; Y509-I579 HydrophobicContact CD2-CG2 3.82Å; Y509-I579 HydrophobicContact CG-CG2 3.66Å; I534-I579 HydrophobicContact CD1-CG2 4.29Å; M538-I579 HydrophobicContact CE-CB 4.46Å; M538-I579 HydrophobicContact CE-CD1 4.18Å; M538-I579 HydrophobicContact CE-CG1 3.31Å; F558-I579 HydrophobicContact CE2-CG2 4.45Å; L575-I579 HydrophobicContact CG-CD1 4.05Å; L575-I579 PolarHBondContact O-N 3.48Å; L575-I579 WeakPolarHBondContact O-CG1 3.41Å; L575-I579 HydrophobicContact CD1-CD1 4.22Å; I576-I579 PolarHBondContact O-N 3.48Å; I579-G583 PolarHBondContact O-N 3.23Å
580	E	97.9	Very high	97.8	Very high	45 Å²	45	45.1 Å²	45.1	21%	0.21	21%	0.212	C	C	.	.	H	α-helix	trans	-63.6	-50.7	176.3	-76.1	173.4	-179.2	0	0	111.7	R489 Y492 Y509 I576 E577 E578 L582 G583 H584	R489-E580 IonicContact CZ-OE1 3.54Å; R489-E580 IonicContact CZ-OE2 3.76Å; R489-E580 IonicContact NE-OE1 3.74Å; R489-E580 PolarHBondContact NE-OE1 2.97Å; R489-E580 IonicContact NH2-OE1 2.67Å; R489-E580 PolarHBondContact NH2-OE1 2.8Å; R489-E580 IonicContact NH2-OE2 3.33Å; R489-E580 PolarHBondContact NH2-OE2 2.97Å; Y492-E580 HydrophobicContact CE2-CG 4.03Å; Y492-E580 WeakPolarHBondContact CE2-OE1 3.45Å; Y509-E580 HydrophobicContact CE2-CB 4.44Å; Y509-E580 HydrophobicContact CE2-CG 3.68Å; I576-E580 WeakPolarHBondContact O-CG 3.5Å; I576-E580 PolarHBondContact O-N 3.42Å; I576-E580 VanDerWaalsContact O-N 3.13Å; E577-E580 WeakPolarHBondContact O-CB 3.35Å; E577-E580 PolarHBondContact O-N 3.27Å; E578-E580 PolarHBondContact O-N 3.2Å; E578-E580 VanDerWaalsContact C-N 3.3Å; E580-L582 VanDerWaalsContact C-N 3.28Å; E580-L582 PolarHBondContact O-N 3.37Å; E580-G583 PolarHBondContact O-N 3.36Å; E580-G583 VanDerWaalsContact O-N 3.12Å; E580-H584 WeakPolarHBondContact O-CB 3.39Å; E580-H584 PolarHBondContact O-N 2.89Å
581	R	98.3	Very high	97.7	Very high	107 Å²	107	40.3 Å²	40.3	40%	0.404	19%	0.189	S	C	.	.	H	α-helix	trans	-57.7	-43.1	178.4	-170.8	-170.9	71	80.5	-5.1	111.4	E577 E578 G583 H584	E577-R581 WeakPolarHBondContact O-CB 3.43Å; E577-R581 PolarHBondContact O-N 3.45Å; E578-R581 PolarHBondContact O-N 3.16Å; E578-R581 IonicContact OE1-CZ 2.69Å; E578-R581 IonicContact OE1-NE 3.45Å; E578-R581 IonicContact OE1-NH2 3.42Å; E578-R581 PolarHBondContact OE1-NH2 2.97Å; E578-R581 IonicContact OE2-CZ 3.32Å; E578-R581 IonicContact OE2-NE 2.86Å; E578-R581 PolarHBondContact OE2-NE 2.92Å; E578-R581 IonicContact OE2-NH2 3.4Å; E578-R581 PolarHBondContact OE2-NH2 3.28Å; R581-G583 VanDerWaalsContact C-N 3.31Å; R581-G583 PolarHBondContact O-N 3.09Å; R581-H584 PolarHBondContact O-ND1 3.18Å
582	L	98.3	Very high	97.6	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.016	20%	0.202	C	C	.	.	H	α-helix	trans	-78.9	-11.8	-179	-67.1	-178.6	0	0	0	114	I534 R537 M538 Y541 E578 E580	I534-L582 HydrophobicContact CG2-CB 4.09Å; R537-L582 HydrophobicContact CB-CB 4.47Å; R537-L582 HydrophobicContact CB-CD1 4.25Å; R537-L582 HydrophobicContact CB-CD2 3.82Å; R537-L582 HydrophobicContact CB-CG 4.42Å; R537-L582 WeakPolarHBondContact CD-O 3.16Å; R537-L582 PolarHBondContact NH1-O 3.34Å; M538-L582 HydrophobicContact CB-CD1 4.16Å; M538-L582 HydrophobicContact CE-CD1 4.46Å; M538-L582 HydrophobicContact CG-CD1 3.33Å; Y541-L582 HydrophobicContact CD2-CD2 3.61Å; Y541-L582 HydrophobicContact CE2-CD2 3.69Å; E578-L582 PolarHBondContact O-N 3.27Å; E578-L582 WeakPolarHBondContact O-CG 3.39Å; E578-L582 HydrophobicContact CG-CG 4.29Å; E578-L582 HydrophobicContact CG-CD1 3.92Å; E578-L582 WeakPolarHBondContact O-CB 3.35Å; E580-L582 VanDerWaalsContact C-N 3.28Å; E580-L582 PolarHBondContact O-N 3.37Å
583	G	97.4	Very high	97.5	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-116.4	-5.4	-178.3	0	0	0	0	0	115.3	P511 I579 E580 R581 D585 L586	P511-G583 VanDerWaalsContact CB-O 3.25Å; P511-G583 WeakPolarHBondContact CB-O 3.46Å; I579-G583 PolarHBondContact O-N 3.23Å; E580-G583 PolarHBondContact O-N 3.36Å; E580-G583 VanDerWaalsContact O-N 3.12Å; R581-G583 VanDerWaalsContact C-N 3.31Å; R581-G583 PolarHBondContact O-N 3.09Å; G583-D585 PolarHBondContact O-N 3.3Å; G583-D585 VanDerWaalsContact O-N 3.17Å; G583-L586 WeakPolarHBondContact O-CB 3.22Å; G583-L586 PolarHBondContact O-N 3.41Å
584	H	95.7	Very high	97.5	Very high	119 Å²	119	46.7 Å²	46.7	55%	0.551	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-26.7	-169.2	75.8	-73.7	0	0	0	115.2	P512 E580 R581	P512-H584 WeakPolarHBondContact CD-O 3.4Å; E580-H584 WeakPolarHBondContact O-CB 3.39Å; E580-H584 PolarHBondContact O-N 2.89Å; R581-H584 PolarHBondContact O-ND1 3.18Å
585	D	94.9	Very high	97.3	Very high	91 Å²	91	46.8 Å²	46.8	49%	0.487	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	8.7	-176.9	65.2	-33.9	0	0	0	113.6	R537 G583	R537-D585 IonicContact CZ-OD1 3.19Å; R537-D585 IonicContact CZ-OD2 3.39Å; R537-D585 IonicContact NH1-OD1 2.73Å; R537-D585 PolarHBondContact NH1-OD1 3.32Å; R537-D585 IonicContact NH1-OD2 3.5Å; R537-D585 PolarHBondContact NH1-OD2 2.86Å; R537-D585 IonicContact NH2-OD1 3.29Å; R537-D585 PolarHBondContact NH2-OD1 3.21Å; R537-D585 IonicContact NH2-OD2 2.81Å; R537-D585 PolarHBondContact NH2-OD2 3.01Å; G583-D585 PolarHBondContact O-N 3.3Å; G583-D585 VanDerWaalsContact O-N 3.17Å
586	L	93.3	Very high	97.2	Very high	65 Å²	65	51 Å²	51	34%	0.34	24%	0.238	S	C	.	.			trans	-88.3	0	-178.4	-60.8	-178.2	0	0	0	115.1	P511 V530 V533 I534 G583	P511-L586 HydrophobicContact CB-CB 3.89Å; P511-L586 WeakPolarHBondContact CB-O 3.18Å; P511-L586 HydrophobicContact CG-CB 3.9Å; V530-L586 HydrophobicContact CG1-CD1 4.16Å; V533-L586 HydrophobicContact CB-CD1 4.26Å; V533-L586 HydrophobicContact CB-CD2 4.47Å; V533-L586 HydrophobicContact CG1-CD1 4.1Å; V533-L586 HydrophobicContact CG1-CD2 3.71Å; I534-L586 HydrophobicContact CD1-CD1 4.22Å; I534-L586 HydrophobicContact CG1-CD1 3.77Å; G583-L586 WeakPolarHBondContact O-CB 3.22Å; G583-L586 PolarHBondContact O-N 3.41Å

Retrieved 586 of 586 residues in 1964.3 ms (Link to these results)

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