A0A087YFF1_POEFO Loading...

Dihydropyrimidinase-related protein 1

Necessary for signaling by class 3 semaphorins and subsequent remodeling of the cytoskeleton. Plays a role in axon guidance. During the axon guidance process, acts downstream of SEMA3A to promote FLNA dissociation from F-actin which results in the rearrangement of the actin cytoskeleton and the collapse of the growth cone. Involved in invasive growth and cell migration. May participate in cytokinesis.

AlphaFold DB , UniProt , Accession A0A087YFF1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 676 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	32.3	Very low	30.6	Very low	240 Å²	240	194.5 Å²	194.5	100%	1.182	90%	0.901	S	S	*	*				0	134.7	0	-59.7	174	-175	0	0	107.5
2	S	31.7	Very low	30.6	Very low	113 Å²	113	191.5 Å²	191.5	79%	0.79	90%	0.897	S	S	*	*			cis	-155.7	156	-23.9	-68.8	0	0	0	0	106.5
3	D	33.6	Very low	30.7	Very low	157 Å²	157	191.5 Å²	191.5	84%	0.84	90%	0.897	S	S	*	*			trans	-54.4	145.1	-170	-58.9	-84.2	0	0	0	116.9
4	C	29.6	Very low	31	Very low	133 Å²	133	189.4 Å²	189.4	90%	0.899	89%	0.894	S	S	*	*				-160.6	114.3	125.7	-106.1	0	0	0	0	113.1
5	R	34.1	Very low	31.1	Very low	246 Å²	246	184.9 Å²	184.9	93%	0.928	89%	0.887	S	S	*	*			trans	-83.7	141	155.6	-77.1	177.4	169.3	177.1	-3.6	109.1
6	R	31.3	Very low	31.2	Very low	244 Å²	244	181.1 Å²	181.1	92%	0.921	88%	0.878	S	S	*	*			trans	-151.8	125.7	146.6	-107.7	174.6	-167	-170.1	2.8	110.5
7	Q	30.6	Very low	31.3	Very low	179 Å²	179	183.4 Å²	183.4	84%	0.836	88%	0.877	S	S	*	*			trans	-76.8	148.9	163.7	-71.6	165	-62.1	0	0	109.3
8	W	26.5	Very low	31.3	Very low	253 Å²	253	183.2 Å²	183.2	96%	0.958	88%	0.881	S	S	*	*				-156.5	143.6	125.9	-109.4	-39.9	0	0	0	111.7
9	N	29.6	Very low	31.6	Very low	148 Å²	148	178.2 Å²	178.2	79%	0.791	87%	0.873	S	S	*	*			trans	-68.9	145.3	169.4	-62.1	-14.9	0	0	0	110.1
10	R	28.9	Very low	31.8	Very low	246 Å²	246	172.6 Å²	172.6	93%	0.928	86%	0.864	S	S	*	*			trans	-158.2	123.5	136.9	-117.1	172.7	179	-177.4	-3.5	110.4
11	E	28.7	Very low	32	Very low	180 Å²	180	170.7 Å²	170.7	84%	0.841	86%	0.864	S	S	*	*			trans	-72.7	142	156.6	-64.6	164.9	130.2	0	0	108
12	D	30.6	Very low	32	Very low	159 Å²	159	167 Å²	167	85%	0.85	85%	0.847	S	S	*	*			trans	153.5	157.7	144.8	-82.1	-30.3	0	0	0	111.2
13	E	31.3	Very low	32.1	Very low	191 Å²	191	168 Å²	168	89%	0.893	85%	0.848	S	S	*	*			trans	78.1	63	178.9	-54.3	-168.2	173.9	0	0	117.7
14	L	34.7	Very low	32	Very low	163 Å²	163	167.3 Å²	167.3	85%	0.853	85%	0.85	S	S	*	*			trans	-91.1	133.8	148.7	-77.4	170.2	0	0	0	110.2	V16	L14-V16 PolarHBondContact O-N 3.26Å
15	P	32.5	Very low	32	Very low	122 Å²	122	164.4 Å²	164.4	79%	0.792	84%	0.842	S	S	*	*			trans	-65.9	131.2	178.9	-23.1	34.2	0	0	0	113.7	Y17	P15-Y17 PolarHBondContact O-N 3.24Å; P15-Y17 VanDerWaalsContact O-N 3.12Å
16	V	33.4	Very low	32	Very low	123 Å²	123	158.5 Å²	158.5	75%	0.745	84%	0.836	S	S	*	*			trans	-78	96.3	-178.7	-178.8	0	0	0	0	111.4	L14	L14-V16 PolarHBondContact O-N 3.26Å
17	Y	32	Very low	31.8	Very low	220 Å²	220	154 Å²	154	86%	0.863	83%	0.83	S	S	*	*			trans	-138.7	86.9	156.8	-89.4	-84.2	0	0	0	109.2	P15	P15-Y17 PolarHBondContact O-N 3.24Å; P15-Y17 VanDerWaalsContact O-N 3.12Å
18	L	32.8	Very low	31.7	Very low	180 Å²	180	153.3 Å²	153.3	94%	0.942	83%	0.827	S	S	*	*			trans	168.8	60.3	156.6	-93.1	164.3	0	0	0	109.3
19	A	35.8	Very low	31.8	Very low	89 Å²	89	153.3 Å²	153.3	74%	0.736	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-87.4	120.8	170.1	0	0	0	0	0	109.6
20	G	35.2	Very low	31.7	Very low	66 Å²	66	154.9 Å²	154.9	68%	0.68	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-72.7	144.8	177.6	0	0	0	0	0	112.6
21	P	37.9	Very low	31.8	Very low	133 Å²	133	148.5 Å²	148.5	86%	0.864	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-79.7	133.7	-178.8	30.5	-33.3	0	0	0	112.8
22	I	31.7	Very low	31.8	Very low	162 Å²	162	149.7 Å²	149.7	83%	0.831	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-75.7	154.6	169.9	-69.6	173	0	0	0	110.4
23	T	33.1	Very low	31.6	Very low	133 Å²	133	145.2 Å²	145.2	82%	0.816	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-64.3	138.4	-172.7	42.8	0	0	0	0	115.4
24	T	30.8	Very low	31.7	Very low	144 Å²	144	144.5 Å²	144.5	88%	0.883	81%	0.813	S	S	*	*			trans	-135.7	154	158	50	0	0	0	0	110.5
25	G	30.4	Very low	31.6	Very low	71 Å²	71	146.7 Å²	146.7	73%	0.732	82%	0.816	S	S	*	*			trans	-74.1	-176.2	-162	0	0	0	0	0	117.8
26	P	33.4	Very low	31.6	Very low	123 Å²	123	146 Å²	146	80%	0.799	81%	0.814	S	S	*	*			trans	-89.7	144.5	-153.2	34	-36.2	0	0	0	114.5
27	N	28.4	Very low	31.5	Very low	148 Å²	148	145.8 Å²	145.8	79%	0.791	82%	0.818	S	S	*	*			trans	-153.6	123.8	151.9	-105.9	-41.1	0	0	0	114
28	Q	28.6	Very low	31.4	Very low	165 Å²	165	141.9 Å²	141.9	77%	0.771	82%	0.816	S	S	*	*			trans	44.3	99.4	151.7	-57.6	-173.4	5.1	0	0	119.8
29	R	27.7	Very low	31.2	Very low	254 Å²	254	142.6 Å²	142.6	96%	0.958	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-74.8	124.2	154.5	-75.2	179.3	172	170.6	-3	110.1
30	K	28.3	Very low	31.8	Very low	181 Å²	181	142.3 Å²	142.3	79%	0.787	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-91.6	123.2	161.3	-76.1	-177.5	176.5	177.6	0	109.4
31	S	30.3	Very low	31.8	Very low	112 Å²	112	143.7 Å²	143.7	78%	0.783	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-91.7	135.5	168.2	179.1	0	0	0	0	109.4
32	F	28.1	Very low	31.6	Very low	204 Å²	204	147.3 Å²	147.3	90%	0.895	83%	0.828	S	S	*	*			trans	-117.5	91.4	163.3	-88	-79.3	0	0	0	108.5
33	G	28.1	Very low	31.7	Very low	66 Å²	66	147.3 Å²	147.3	68%	0.68	83%	0.83	S	S	*	*			trans	-95.2	132.8	167.7	0	0	0	0	0	110.3
34	M	32.2	Very low	31.9	Very low	176 Å²	176	145.9 Å²	145.9	87%	0.867	83%	0.826	S	S	*	*			trans	-90.9	104.6	173.8	177.9	-166	-59	0	0	108.8
35	F	33	Very low	32.1	Very low	208 Å²	208	149 Å²	149	91%	0.912	83%	0.827	S	S	*	*			trans	-163.3	145.7	152.6	-90.4	-60.5	0	0	0	111
36	S	32.3	Very low	32.3	Very low	108 Å²	108	152.5 Å²	152.5	76%	0.755	83%	0.834	S	S	*	*			trans	-76	139.7	-173.5	48.9	0	0	0	0	113.7
37	S	30.8	Very low	32.5	Very low	119 Å²	119	152.8 Å²	152.8	83%	0.832	83%	0.828	S	S	*	*			trans	-69.7	136.1	174.8	48.6	0	0	0	0	113.3
38	V	31.1	Very low	32.8	Very low	137 Å²	137	151.1 Å²	151.1	83%	0.83	82%	0.819	S	S	*	*			trans	-106	127.5	162.9	178.4	0	0	0	0	108.1
39	E	28.7	Very low	33.4	Very low	196 Å²	196	151.9 Å²	151.9	92%	0.916	82%	0.82	S	S	*	*	S	Bend	trans	-73.8	147.5	176.6	-93.3	176.4	138.6	0	0	112.1
40	G	47.2	Very low	33.8	Very low	82 Å²	82	146.8 Å²	146.8	85%	0.845	81%	0.812	S	S	*	*			trans	109.3	20.9	163.1	0	0	0	0	0	118.2
41	A	35.9	Very low	34.3	Very low	96 Å²	96	144.7 Å²	144.7	79%	0.793	81%	0.809	S	S	*	*			trans	-123	57.9	175.8	0	0	0	0	0	113.2
42	F	32.9	Very low	34.6	Very low	208 Å²	208	150.7 Å²	150.7	91%	0.912	82%	0.816	S	S	*	*			trans	-114.1	100.4	164.8	-85.1	-80.6	0	0	0	109.7
43	D	33.6	Very low	34.8	Very low	163 Å²	163	145 Å²	145	87%	0.872	81%	0.807	S	S	*	*			trans	-143.8	124.5	149.3	-110.6	-28	0	0	0	110.3
44	S	38.6	Very low	35	Very low	103 Å²	103	149 Å²	149	72%	0.72	82%	0.817	S	S	*	*			trans	-53.7	126.2	-169.7	50.8	0	0	0	0	116.2
45	K	34.2	Very low	34.9	Very low	208 Å²	208	144.4 Å²	144.4	90%	0.904	82%	0.815	S	S	*	*			trans	-153.6	101.8	136.1	-67.1	-160.4	-177.5	176.2	0	111.1
46	T	36.1	Very low	35	Very low	145 Å²	145	145.2 Å²	145.2	89%	0.89	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-79	132.1	167.2	-51	0	0	0	0	109.1
47	I	35.7	Very low	35	Very low	130 Å²	130	149.5 Å²	149.5	67%	0.667	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-82.6	122.1	171.6	-64.7	175.4	0	0	0	107.9	F49	I47-F49 HydrophobicContact CB-CE2 4.44Å; I47-F49 HydrophobicContact CG2-CD2 4.33Å; I47-F49 HydrophobicContact CG2-CE2 3.99Å; I47-F49 HydrophobicContact CG2-CZ 4.3Å
48	D	36.3	Very low	35	Very low	113 Å²	113	147.4 Å²	147.4	60%	0.604	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-87.5	129.8	175.3	-170	-10.4	0	0	0	109.7	D50	D48-D50 PolarHBondContact OD1-N 3.48Å
49	F	40.2	Very low	34.9	Very low	181 Å²	181	146.4 Å²	146.4	79%	0.794	81%	0.814	S	S	*	*			trans	-99.6	-2.9	-172.8	-85.8	-84.6	0	0	0	114.1	I47 N51	I47-F49 HydrophobicContact CB-CE2 4.44Å; I47-F49 HydrophobicContact CG2-CD2 4.33Å; I47-F49 HydrophobicContact CG2-CE2 3.99Å; I47-F49 HydrophobicContact CG2-CZ 4.3Å; F49-N51 VanDerWaalsContact C-N 3.26Å; F49-N51 PolarHBondContact O-N 3.28Å
50	D	36.9	Very low	35.1	Very low	147 Å²	147	147.9 Å²	147.9	79%	0.786	81%	0.811	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	3.9	-175.4	-78.3	-19.5	0	0	0	114.8	D48	D48-D50 PolarHBondContact OD1-N 3.48Å
51	N	37.5	Very low	34.3	Very low	136 Å²	136	150 Å²	150	73%	0.727	81%	0.808	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.8	17.4	-167.7	-112.1	-27.7	0	0	0	116.9	F49	F49-N51 VanDerWaalsContact C-N 3.26Å; F49-N51 PolarHBondContact O-N 3.28Å
52	Y	36.4	Very low	35	Very low	239 Å²	239	150.8 Å²	150.8	94%	0.937	81%	0.805	S	S	*	*	S	Bend	trans	-131	54	174.6	-94.4	-81.8	0	0	0	114.3
53	A	34	Very low	35	Very low	85 Å²	85	152.8 Å²	152.8	70%	0.702	81%	0.806	S	S	*	*			trans	-143.1	143.5	162	0	0	0	0	0	113.3
54	V	32.2	Very low	34.9	Very low	148 Å²	148	150.6 Å²	150.6	90%	0.897	80%	0.804	S	S	*	*			trans	79.6	115	165.3	-163.9	0	0	0	0	118.5
55	G	29.8	Very low	34.4	Very low	80 Å²	80	149.4 Å²	149.4	83%	0.825	81%	0.808	S	S	*	*			trans	-156.4	100.4	157.1	0	0	0	0	0	111.4
56	R	33.9	Very low	34.2	Very low	225 Å²	225	145 Å²	145	85%	0.849	80%	0.803	S	S	*	*			trans	-142.3	123.2	178.3	-133.2	-171.4	-175.5	-169.1	4.6	113.1
57	K	33.4	Very low	34	Very low	198 Å²	198	148.2 Å²	148.2	86%	0.861	80%	0.799	S	S	*	*			trans	80.5	131.8	156.9	-70	-173.9	171.4	-177	0	122.7
58	G	30.1	Very low	33.7	Very low	76 Å²	76	149.2 Å²	149.2	78%	0.784	80%	0.801	S	S	*	*			trans	138.6	137.5	150.3	0	0	0	0	0	113.6
59	S	29.9	Very low	33.5	Very low	115 Å²	115	154 Å²	154	80%	0.804	81%	0.81	S	S	*	*			cis	-171.1	142.6	-7.1	54.4	0	0	0	0	115
60	R	32.5	Very low	32.9	Very low	227 Å²	227	150.9 Å²	150.9	86%	0.857	81%	0.806	S	S	*	*			trans	65.5	110.1	141.8	-84.2	-176.6	169.8	165.9	-2.9	126.4
61	T	31	Very low	32.5	Very low	127 Å²	127	150.5 Å²	150.5	78%	0.779	80%	0.803	S	S	*	*				61.5	163.2	123.8	56.7	0	0	0	0	122.9
62	P	49.5	Very low	32.2	Very low	113 Å²	113	151.4 Å²	151.4	73%	0.734	80%	0.803	S	S	*	*			cis	-143.8	171.7	14.1	43.1	-23.5	0	0	0	121.3
63	R	32.1	Very low	31.8	Very low	249 Å²	249	146.5 Å²	146.5	94%	0.94	80%	0.798	S	S	*	*			trans	56.7	135.9	151.9	-75.9	177.9	169.7	171.4	-3.2	121.3
64	S	31.5	Very low	31.4	Very low	117 Å²	117	146.3 Å²	146.3	82%	0.818	81%	0.805	S	S	*	*			cis	-152.3	153.4	48.3	55.1	0	0	0	0	113.4
65	G	29.1	Very low	31.4	Very low	78 Å²	78	146.9 Å²	146.9	80%	0.804	80%	0.803	S	S	*	*				79.1	123.8	95.5	0	0	0	0	0	113.1
66	S	29	Very low	32.6	Very low	115 Å²	115	148 Å²	148	80%	0.804	80%	0.795	S	S	*	*			cis	-160.5	143.2	33.9	47	0	0	0	0	112.4
67	R	32.9	Very low	32.4	Very low	214 Å²	214	144 Å²	144	81%	0.808	80%	0.795	S	S	*	*				49.6	139.3	112.6	-89.6	-173.1	179.7	-175.6	2.1	117.6
68	E	29.2	Very low	32.2	Very low	151 Å²	151	137.7 Å²	137.7	71%	0.706	79%	0.787	S	S	*	*			cis	-142	152.5	13.2	-94.5	147.3	-176.6	0	0	110.7
69	R	31.5	Very low	32.1	Very low	213 Å²	213	144 Å²	144	80%	0.804	79%	0.793	S	S	*	*				61.5	131.2	71.5	-134.6	-169	-74.5	-151.9	-4.2	112.8
70	V	28.2	Very low	32.1	Very low	116 Å²	116	145 Å²	145	70%	0.703	79%	0.794	S	S	*	*				-164.9	133.9	55.2	178	0	0	0	0	106.5
71	L	29.3	Very low	32.8	Very low	138 Å²	138	140.1 Å²	140.1	72%	0.723	79%	0.792	S	S	*	*				49.5	144.9	89.6	-74.7	169.8	0	0	0	114.5
72	E	29.6	Very low	32.7	Very low	155 Å²	155	137.7 Å²	137.7	72%	0.724	79%	0.792	S	S	*	*			cis	-171	171.9	-5	-157.5	176.1	-162.7	0	0	110
73	T	28.8	Very low	31.8	Very low	136 Å²	136	141.4 Å²	141.4	83%	0.834	80%	0.8	S	S	*	*			trans	67.9	145.1	158.2	65.4	0	0	0	0	122.6
74	G	26.3	Very low	31.8	Very low	82 Å²	82	134.1 Å²	134.1	85%	0.845	79%	0.793	S	S	*	*			trans	142.2	83.9	148.2	0	0	0	0	0	119.2
75	D	32	Very low	31.8	Very low	160 Å²	160	133 Å²	133	86%	0.856	79%	0.791	S	S	*	*			trans	-113.1	170.8	158.3	-125.7	-19.1	0	0	0	107.1
76	P	53.7	Low	31.8	Very low	103 Å²	103	137.5 Å²	137.5	67%	0.669	80%	0.796	S	S	*	*			cis	-146.4	-166.3	-2.9	34.7	-9.4	0	0	0	116.1
77	V	31.8	Very low	31.8	Very low	140 Å²	140	135.2 Å²	135.2	85%	0.848	79%	0.791	S	S	*	*			trans	76.1	130.7	155.6	-176.3	0	0	0	0	121.2
78	G	27.7	Very low	31.6	Very low	67 Å²	67	130.1 Å²	130.1	69%	0.691	79%	0.788	S	S	*	*			trans	171.3	61.8	154.7	0	0	0	0	0	124.4
79	K	28.9	Very low	31.6	Very low	209 Å²	209	134.3 Å²	134.3	91%	0.909	80%	0.797	S	S	*	*			trans	67.3	134.8	145.9	-63	-179.5	177.7	178	0	124
80	T	29.1	Very low	31.3	Very low	134 Å²	134	135.8 Å²	135.8	82%	0.822	80%	0.803	S	S	*	*			trans	-87.4	-169.3	160.3	45.5	0	0	0	0	110.9
81	P	47.3	Very low	31.7	Very low	126 Å²	126	135.1 Å²	135.1	82%	0.818	80%	0.803	S	S	*	*			cis	-147.6	-177.2	12.1	45.3	-24.9	0	0	0	119.6
82	G	29.4	Very low	32.6	Very low	75 Å²	75	134.3 Å²	134.3	77%	0.773	81%	0.807	S	S	*	*			trans	101.2	144	153.3	0	0	0	0	0	117.1
83	E	30.7	Very low	32.6	Very low	191 Å²	191	132.9 Å²	132.9	89%	0.893	81%	0.813	S	S	*	*			cis	-168.2	152.6	-7.5	-149.6	173.7	-163.2	0	0	111
84	A	31.3	Very low	32.5	Very low	96 Å²	96	129.9 Å²	129.9	79%	0.793	81%	0.81	S	S	*	*			trans	57.6	146.5	155	0	0	0	0	0	121.8
85	A	31.6	Very low	32.6	Very low	94 Å²	94	135.6 Å²	135.6	78%	0.777	82%	0.815	S	S	*	*			cis	-166.1	178.6	-7.2	0	0	0	0	0	112.4
86	D	29.4	Very low	32.5	Very low	172 Å²	172	132.9 Å²	132.9	92%	0.92	81%	0.814	S	S	*	*			trans	74.3	134.7	170.9	-123.3	9	0	0	0	116.9
87	G	28.5	Very low	31.3	Very low	68 Å²	68	136.2 Å²	136.2	70%	0.701	83%	0.827	S	S	*	*			cis	138	131.8	5.4	0	0	0	0	0	109.2
88	S	28.8	Very low	31.3	Very low	106 Å²	106	136.1 Å²	136.1	74%	0.741	82%	0.822	S	S	*	*			cis	-159.4	167.2	-2	73	0	0	0	0	112.2
89	R	28.8	Very low	31.4	Very low	239 Å²	239	138 Å²	138	90%	0.902	83%	0.83	S	S	*	*			trans	73.3	106.3	153.3	-67.7	174.7	176.2	-175.2	-0.5	122.6
90	R	26.8	Very low	31.7	Very low	245 Å²	245	137.4 Å²	137.4	93%	0.925	82%	0.822	S	S	*	*			trans	-169.4	158.5	147.1	-106.1	-178.6	-174.5	-155.8	-0.6	109.1
91	S	35.8	Very low	32.3	Very low	101 Å²	101	135.7 Å²	135.7	71%	0.706	82%	0.816	S	S	*	*			cis	-120.7	-107.6	-11	-69.1	0	0	0	0	109.9
92	P	49	Very low	32	Very low	122 Å²	122	132.3 Å²	132.3	79%	0.792	80%	0.804	S	S	*	*			cis	-126.1	135.7	-4.6	39.2	-20.8	0	0	0	116.7
93	S	28.7	Very low	32.9	Very low	124 Å²	124	130.3 Å²	130.3	87%	0.867	78%	0.777	S	S	*	*			trans	-175.5	139.8	136	53.5	0	0	0	0	108.3
94	G	26.8	Very low	33.6	Very low	74 Å²	74	125.8 Å²	125.8	76%	0.763	76%	0.756	S	S	*	*			cis	143.5	39.8	-2.5	0	0	0	0	0	114
95	E	28.2	Very low	34.3	Very low	201 Å²	201	122.9 Å²	122.9	94%	0.939	73%	0.728	S	S	*	*			trans	-138.4	144.4	170.4	-101.6	167	-170.6	0	0	108.8
96	A	30.3	Very low	34.7	Very low	103 Å²	103	125.7 Å²	125.7	85%	0.851	72%	0.718	S	S	*	*			trans	-104.6	118.6	-171.6	0	0	0	0	0	110.2
97	D	28.6	Very low	34.9	Very low	173 Å²	173	125.6 Å²	125.6	93%	0.925	71%	0.71	S	S	*	*			trans	-80.5	131.6	172.1	-94.8	-35	0	0	0	111.1
98	D	30.8	Very low	35.1	Very low	139 Å²	139	128 Å²	128	74%	0.743	71%	0.711	S	S	*	*			trans	-83	116.1	179.6	-156.7	17.6	0	0	0	109.6	R100	D98-R100 PolarHBondContact O-N 2.83Å
99	A	29.9	Very low	35.1	Very low	106 Å²	106	128.4 Å²	128.4	88%	0.876	71%	0.714	S	S	*	*			trans	-76.3	88.4	-169.2	0	0	0	0	0	112.6
100	R	36.4	Very low	35.3	Very low	196 Å²	196	126.2 Å²	126.2	74%	0.74	71%	0.714	S	S	*	*			trans	-88.7	143.1	170.3	-70.6	-172.7	177.6	-170.1	-1.4	112.7	D98 G102	D98-R100 PolarHBondContact O-N 2.83Å; R100-G102 PolarHBondContact O-N 3.28Å
101	S	41.6	Very low	35.7	Very low	98 Å²	98	124.7 Å²	124.7	69%	0.685	71%	0.714	S	S	*	*			trans	-72.2	90.2	-175.9	43.7	0	0	0	0	113.4	R167	S101-R167 PolarHBondContact O-NH2 2.68Å
102	G	40.4	Very low	35.6	Very low	56 Å²	56	129.1 Å²	129.1	58%	0.577	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-62.6	161	171.6	0	0	0	0	0	114	R100	R100-G102 PolarHBondContact O-N 3.28Å
103	V	48.3	Very low	34.8	Very low	32 Å²	32	128.4 Å²	128.4	19%	0.194	72%	0.722	C	S	.	*	P	Polyproline II helix	trans	-69.5	128	162.6	171.7	0	0	0	0	107.7	I162 A548	V103-I162 HydrophobicContact CG1-CG2 4.13Å; V103-A548 HydrophobicContact CG2-CB 4.29Å
104	E	46.4	Very low	35.1	Very low	96 Å²	96	129.1 Å²	129.1	45%	0.449	72%	0.723	S	S	.	*	P	Polyproline II helix	trans	-93.9	116.7	-178.8	-161.2	-167.7	152.4	0	0	110.4	R106	E104-R106 VanDerWaalsContact CD-NH2 3.3Å; E104-R106 HydrophobicContact CG-CG 4.44Å; E104-R106 IonicContact OE1-CZ 2.79Å; E104-R106 IonicContact OE1-NE 3.37Å; E104-R106 PolarHBondContact OE1-NE 3.04Å; E104-R106 IonicContact OE1-NH2 3.15Å; E104-R106 PolarHBondContact OE1-NH2 2.74Å; E104-R106 VanDerWaalsContact OE1-NH2 3.16Å; E104-R106 IonicContact OE2-CZ 2.63Å; E104-R106 IonicContact OE2-NE 3.87Å; E104-R106 IonicContact OE2-NH2 2.66Å; E104-R106 PolarHBondContact OE2-NH2 3.16Å
105	V	45	Very low	35.5	Very low	35 Å²	35	132.1 Å²	132.1	21%	0.212	72%	0.722	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.7	112	174.7	-178.6	0	0	0	0	109.4	F107 E559	V105-F107 HydrophobicContact CG1-CD2 4.38Å; V105-F107 HydrophobicContact CG1-CE2 3.88Å; V105-F107 HydrophobicContact CG1-CZ 4.1Å; V105-E559 WeakPolarHBondContact CG2-OE1 3.36Å
106	R	40.8	Very low	36.1	Very low	153 Å²	153	131.9 Å²	131.9	58%	0.577	72%	0.721	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-98.5	124.4	176.6	-67.7	-174.6	-179.8	152.8	11.6	111.2	E104	E104-R106 VanDerWaalsContact CD-NH2 3.3Å; E104-R106 HydrophobicContact CG-CG 4.44Å; E104-R106 IonicContact OE1-CZ 2.79Å; E104-R106 IonicContact OE1-NE 3.37Å; E104-R106 PolarHBondContact OE1-NE 3.04Å; E104-R106 IonicContact OE1-NH2 3.15Å; E104-R106 PolarHBondContact OE1-NH2 2.74Å; E104-R106 VanDerWaalsContact OE1-NH2 3.16Å; E104-R106 IonicContact OE2-CZ 2.63Å; E104-R106 IonicContact OE2-NE 3.87Å; E104-R106 IonicContact OE2-NH2 2.66Å; E104-R106 PolarHBondContact OE2-NH2 3.16Å
107	F	33.6	Very low	37.1	Very low	170 Å²	170	135.3 Å²	135.3	75%	0.746	72%	0.717	S	S	*	*			trans	-95.1	121.2	175.2	-67.6	-91.6	0	0	0	110.7	V105	V105-F107 HydrophobicContact CG1-CD2 4.38Å; V105-F107 HydrophobicContact CG1-CE2 3.88Å; V105-F107 HydrophobicContact CG1-CZ 4.1Å
108	T	32.9	Very low	38.6	Very low	119 Å²	119	128.3 Å²	128.3	73%	0.73	69%	0.686	S	S	*	*			trans	-89.2	115	158.7	50.4	0	0	0	0	108.4	E110	T108-E110 PolarHBondContact O-N 2.73Å
109	S	27.8	Very low	41.1	Very low	115 Å²	115	125.9 Å²	125.9	80%	0.804	67%	0.67	S	S	*	*			trans	-86.6	105.7	-168.9	57.9	0	0	0	0	113.5
110	E	32.9	Very low	44.1	Very low	192 Å²	192	124.3 Å²	124.3	90%	0.897	64%	0.643	S	S	*	*			trans	-130.5	138.4	152.5	-68.8	-167.9	145	0	0	108.9	T108	T108-E110 PolarHBondContact O-N 2.73Å
111	K	36.3	Very low	47	Very low	213 Å²	213	115 Å²	115	93%	0.926	61%	0.608	S	S	*	*			trans	-94.3	115.5	-179.6	-78	-177.7	174.8	179.8	0	109.5
112	E	32.4	Very low	49.6	Very low	195 Å²	195	110.5 Å²	110.5	91%	0.911	58%	0.576	S	S	*	*			trans	-131.6	159.8	161.5	-73.9	-155.1	140.8	0	0	112.6
113	S	31.7	Very low	52.4	Low	106 Å²	106	107.8 Å²	107.8	74%	0.741	55%	0.549	S	S	*	.			trans	-71.3	158.3	-166.7	-52.6	0	0	0	0	114.1	N115	S113-N115 PolarHBondContact O-N 2.95Å
114	P	36.5	Very low	54.7	Low	139 Å²	139	109.1 Å²	109.1	90%	0.903	55%	0.552	S	S	*	*			trans	-70.7	106.2	176.8	30	-34.1	0	0	0	110.5
115	N	35.7	Very low	56.9	Low	137 Å²	137	106.5 Å²	106.5	73%	0.733	55%	0.55	S	S	*	*			trans	-132.9	141.3	169	-155.8	4	0	0	0	107.9	S113 K117	S113-N115 PolarHBondContact O-N 2.95Å; N115-K117 VanDerWaalsContact C-N 3.35Å; N115-K117 PolarHBondContact O-N 2.9Å
116	E	40.8	Very low	59.3	Low	197 Å²	197	104.8 Å²	104.8	92%	0.921	54%	0.54	S	S	*	.	S	Bend	trans	-69.9	82	-167.3	-64.3	178	126.8	0	0	112.9
117	K	49.6	Very low	62	Low	174 Å²	174	100.5 Å²	100.5	76%	0.757	52%	0.524	S	S	*	.			trans	-124.3	140.1	166.7	-69	-179	177.7	175.5	0	108.4	N115	N115-K117 VanDerWaalsContact C-N 3.35Å; N115-K117 PolarHBondContact O-N 2.9Å
118	G	61.3	Low	65.1	Low	27 Å²	27	92.4 Å²	92.4	28%	0.278	49%	0.488	S	S	.	.			trans	-65	152.7	-178.5	0	0	0	0	0	112.1	K120 D143	G118-K120 PolarHBondContact O-N 3.45Å; G118-D143 WeakPolarHBondContact CA-OD1 3.49Å; G118-D143 PolarHBondContact N-OD1 3.26Å
119	E	82.6	Confident	68.2	Low	88 Å²	88	86.7 Å²	86.7	41%	0.411	45%	0.453	S	S	.	.			trans	-58.4	132.8	172.2	-65.2	-164.7	136.3	0	0	109.6	L121	E119-L121 HydrophobicContact CB-CD2 4.08Å; E119-L121 HydrophobicContact CB-CG 4.12Å
120	K	93.9	Very high	71.6	Confident	73 Å²	73	81.3 Å²	81.3	32%	0.317	42%	0.416	S	S	.	.			trans	-98.9	114	170.9	-52	-166.7	-174	-154.5	0	108.1	G118 Y140 V141 E142 V159 K160	G118-K120 PolarHBondContact O-N 3.45Å; K120-Y140 HydrophobicContact CB-CE2 4.44Å; K120-V141 WeakPolarHBondContact CA-O 3.36Å; K120-E142 HydrophobicContact CD-CG 4.41Å; K120-E142 WeakPolarHBondContact CE-OE1 3.44Å; K120-E142 HydrophobicContact CG-CB 4.47Å; K120-E142 HydrophobicContact CG-CG 4.26Å; K120-E142 IonicContact NZ-OE1 3.62Å; K120-E142 PolarHBondContact NZ-OE1 2.73Å; K120-V159 HydrophobicContact CB-CB 4.47Å; K120-V159 HydrophobicContact CB-CG1 4.43Å; K120-V159 HydrophobicContact CB-CG2 3.91Å; K120-V159 HydrophobicContact CD-CG2 4.48Å; K120-K160 PolarHBondContact O-N 3.37Å
121	L	96.1	Very high	74.7	Confident	1 Å²	1	73.9 Å²	73.9	1%	0.005	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	142.8	-174.2	-52.8	-179.7	0	0	0	110	E119 Y140 V141 K160 I162 M551 G554 I556	E119-L121 HydrophobicContact CB-CD2 4.08Å; E119-L121 HydrophobicContact CB-CG 4.12Å; L121-Y140 WeakPolarHBondContact O-CD2 3.32Å; L121-V141 HydrophobicContact CB-CB 4.28Å; L121-V141 PolarHBondContact N-O 3.27Å; L121-V141 PolarHBondContact O-N 3.12Å; L121-K160 WeakPolarHBondContact CA-O 3.34Å; L121-K160 HydrophobicContact CD2-CB 3.76Å; L121-K160 HydrophobicContact CD2-CD 3.89Å; L121-K160 HydrophobicContact CD2-CG 4.1Å; L121-I162 HydrophobicContact CB-CD1 4.47Å; L121-I162 HydrophobicContact CD1-CD1 4.32Å; L121-M551 HydrophobicContact CB-CE 4.42Å; L121-M551 HydrophobicContact CD1-CE 3.39Å; L121-M551 HydrophobicContact CD1-SD 3.86Å; L121-G554 WeakPolarHBondContact CD1-O 3.18Å; L121-I556 HydrophobicContact CD1-CG1 4.22Å
122	L	97.3	Very high	77.7	Confident	2 Å²	2	68 Å²	68	1%	0.01	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	112.3	170.2	178.2	64.2	0	0	0	108.8	K124 D138 L153 V155 V159 K160 V161 I162	L122-K124 HydrophobicContact CD1-CG 4.48Å; L122-K124 HydrophobicContact CD2-CD 3.61Å; L122-K124 HydrophobicContact CD2-CG 3.76Å; L122-K124 HydrophobicContact CG-CD 4.09Å; L122-K124 HydrophobicContact CG-CG 3.63Å; L122-D138 HydrophobicContact CD1-CB 4Å; L122-L153 HydrophobicContact CD1-CB 4.29Å; L122-L153 HydrophobicContact CD1-CD1 4.29Å; L122-V155 HydrophobicContact CD1-CG1 3.95Å; L122-V155 HydrophobicContact CD2-CG1 3.98Å; L122-V155 HydrophobicContact CD2-CG2 3.71Å; L122-V155 HydrophobicContact CG-CG1 4.41Å; L122-V159 HydrophobicContact CB-CG1 3.66Å; L122-K160 PolarHBondContact N-O 3.13Å; L122-V161 WeakPolarHBondContact O-CA 3.38Å; L122-I162 PolarHBondContact O-N 2.77Å
123	I	97.8	Very high	80.8	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	123.7	170.9	-50.3	174	0	0	0	107.1	D138 V139 I162 A164 I169 I513 I515 M551	I123-D138 CarbonylContact O-C 3.43Å; I123-D138 WeakPolarHBondContact O-CA 3.47Å; I123-D138 WeakPolarHBondContact O-CB 3.13Å; I123-V139 HydrophobicContact CB-CB 4.35Å; I123-V139 PolarHBondContact N-O 2.59Å; I123-V139 PolarHBondContact O-N 2.97Å; I123-I162 CarbonylContact C-O 3.49Å; I123-I162 WeakPolarHBondContact CA-O 3.46Å; I123-I162 HydrophobicContact CG1-CB 4.48Å; I123-I162 HydrophobicContact CG1-CD1 4.35Å; I123-A164 HydrophobicContact CG2-CB 3.95Å; I123-I169 HydrophobicContact CB-CD1 4.3Å; I123-I169 HydrophobicContact CD1-CG2 4.49Å; I123-I169 HydrophobicContact CG2-CD1 3.55Å; I123-I169 HydrophobicContact CG2-CG1 4.14Å; I123-I513 HydrophobicContact CD1-CB 4.48Å; I123-I513 HydrophobicContact CD1-CD1 3.98Å; I123-I513 HydrophobicContact CD1-CG2 3.86Å; I123-I515 HydrophobicContact CG2-CD1 3.88Å; I123-I515 HydrophobicContact CG2-CG1 4.45Å; I123-M551 HydrophobicContact CD1-CE 3.98Å; I123-M551 HydrophobicContact CG1-CE 4.33Å
124	K	96.8	Very high	84	Confident	60 Å²	60	60.4 Å²	60.4	26%	0.261	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	149.4	-176.1	-60.3	-160.7	92.5	160.8	0	113.8	L122 G126 D138 V161 I162 A164	L122-K124 HydrophobicContact CD1-CG 4.48Å; L122-K124 HydrophobicContact CD2-CD 3.61Å; L122-K124 HydrophobicContact CD2-CG 3.76Å; L122-K124 HydrophobicContact CG-CD 4.09Å; L122-K124 HydrophobicContact CG-CG 3.63Å; K124-G126 VanDerWaalsContact C-N 3.26Å; K124-G126 PolarHBondContact O-N 2.77Å; K124-D138 VanDerWaalsContact CA-OD1 3.25Å; K124-D138 WeakPolarHBondContact CA-OD1 3.32Å; K124-D138 WeakPolarHBondContact CE-OD2 3.37Å; K124-D138 IonicContact NZ-OD2 3.01Å; K124-V161 HydrophobicContact CD-CG1 3.91Å; K124-V161 HydrophobicContact CG-CG1 3.98Å; K124-I162 PolarHBondContact N-O 3.39Å; K124-A164 WeakPolarHBondContact O-CB 3.37Å; K124-A164 PolarHBondContact O-N 2.86Å
125	G	92.3	Very high	86.9	Confident	40 Å²	40	57 Å²	57	41%	0.412	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	62.6	27.9	167.4	0	0	0	0	0	114.8	D138 G166	G125-D138 PolarHBondContact N-OD1 3.47Å; G125-G166 VanDerWaalsContact O-CA 3.32Å; G125-G166 WeakPolarHBondContact O-CA 3.44Å; G125-G166 PolarHBondContact O-N 2.72Å
126	G	95.6	Very high	89.9	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	169	176.3	0	0	0	0	0	112.8	K124 Y136 A137 R167	K124-G126 VanDerWaalsContact C-N 3.26Å; K124-G126 PolarHBondContact O-N 2.77Å; G126-Y136 WeakPolarHBondContact O-CA 3.25Å; G126-Y136 WeakPolarHBondContact O-CD1 3.42Å; G126-A137 PolarHBondContact O-N 2.92Å; G126-A137 VanDerWaalsContact O-N 3.15Å; G126-R167 WeakPolarHBondContact CA-O 3.24Å
127	R	98	Very high	92.6	Very high	62 Å²	62	48 Å²	48	23%	0.234	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	105.4	172.5	-176	173.3	59.8	149	7.4	109	V129 F135 Y136 R167 M168 I169 E481	R127-V129 HydrophobicContact CG-CG2 4.15Å; R127-V129 PolarHBondContact O-N 2.89Å; R127-F135 CarbonylContact C-O 3.46Å; R127-F135 WeakPolarHBondContact CA-O 3.17Å; R127-Y136 HydrophobicContact CB-CD1 4.11Å; R127-Y136 HydrophobicContact CB-CE1 3.9Å; R127-R167 PolarHBondContact N-O 3.38Å; R127-M168 PolarHBondContact NH2-SD 3.03Å; R127-M168 CarbonylContact O-C 3.58Å; R127-M168 WeakPolarHBondContact O-CA 3.46Å; R127-I169 PolarHBondContact O-N 3.49Å; R127-E481 VanDerWaalsContact CZ-CD 3.45Å; R127-E481 IonicContact CZ-OE1 2.9Å; R127-E481 IonicContact CZ-OE2 3.21Å; R127-E481 IonicContact NE-OE1 3.66Å; R127-E481 IonicContact NH1-OE1 3.74Å; R127-E481 PolarHBondContact NH1-OE1 2.59Å; R127-E481 IonicContact NH1-OE2 2.91Å; R127-E481 PolarHBondContact NH1-OE2 2.88Å; R127-E481 VanDerWaalsContact NH2-CD 3.34Å; R127-E481 IonicContact NH2-OE1 2.72Å; R127-E481 PolarHBondContact NH2-OE1 3.1Å; R127-E481 IonicContact NH2-OE2 3.42Å; R127-E481 PolarHBondContact NH2-OE2 2.99Å
128	V	98.8	Very high	94.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	127.9	171.5	174.6	0	0	0	0	108.8	S134 F135 A137 V139 V149 I169 I505	V128-S134 CarbonylContact O-C 3.51Å; V128-S134 VanDerWaalsContact O-CA 3.27Å; V128-S134 WeakPolarHBondContact O-CA 3.49Å; V128-F135 HydrophobicContact CB-CE1 4.37Å; V128-F135 HydrophobicContact CB-CE2 4.19Å; V128-F135 HydrophobicContact CB-CZ 4.1Å; V128-F135 HydrophobicContact CG1-CE1 4.06Å; V128-F135 HydrophobicContact CG1-CE2 4.43Å; V128-F135 HydrophobicContact CG1-CZ 3.86Å; V128-F135 PolarHBondContact N-O 2.92Å; V128-F135 PolarHBondContact O-N 3.47Å; V128-A137 HydrophobicContact CG2-CB 3.97Å; V128-V139 HydrophobicContact CG2-CG2 3.75Å; V128-V149 HydrophobicContact CG2-CG1 4.19Å; V128-I169 WeakPolarHBondContact CA-O 3.44Å; V128-I169 HydrophobicContact CG2-CB 4.23Å; V128-I169 HydrophobicContact CG2-CD1 4.28Å; V128-I505 HydrophobicContact CG1-CB 3.74Å; V128-I505 HydrophobicContact CG1-CG1 4.42Å; V128-I505 HydrophobicContact CG1-CG2 3.62Å; V128-I505 HydrophobicContact CG2-CG2 4.12Å
129	V	98.8	Very high	96.7	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	115.1	179	177.4	0	0	0	0	108.2	R127 S134 M168 I169 I170 E481 V485	R127-V129 HydrophobicContact CG-CG2 4.15Å; R127-V129 PolarHBondContact O-N 2.89Å; V129-S134 WeakPolarHBondContact CG2-OG 3.49Å; V129-M168 HydrophobicContact CB-CE 4.26Å; V129-M168 HydrophobicContact CG1-CE 4.23Å; V129-M168 HydrophobicContact CG2-CB 4.38Å; V129-M168 HydrophobicContact CG2-CE 4.02Å; V129-M168 HydrophobicContact CG2-CG 4.01Å; V129-I169 PolarHBondContact N-O 2.99Å; V129-I170 HydrophobicContact CB-CG2 3.94Å; V129-I170 HydrophobicContact CG1-CG2 4.36Å; V129-E481 HydrophobicContact CG1-CB 4.01Å; V129-E481 HydrophobicContact CG1-CG 3.96Å; V129-E481 WeakPolarHBondContact CG1-O 3.19Å; V129-V485 HydrophobicContact CG1-CG2 3.96Å
130	N	98.9	Very high	97.4	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.011	17%	0.174	C	C	.	.			trans	-110.4	-179.8	172.8	-78.3	-52.7	0	0	0	110.1	D132 Q133 N482 R504 I505	N130-D132 WeakPolarHBondContact CB-OD1 3.42Å; N130-D132 PolarHBondContact O-N 3.01Å; N130-Q133 PolarHBondContact N-O 2.81Å; N130-N482 WeakPolarHBondContact O-CA 3.4Å; N130-N482 WeakPolarHBondContact O-CB 3.43Å; N130-N482 PolarHBondContact O-ND2 3.26Å; N130-R504 WeakPolarHBondContact OD1-CA 3.34Å; N130-R504 VanDerWaalsContact OD1-CG 3.3Å; N130-R504 WeakPolarHBondContact OD1-CG 3.4Å; N130-I505 PolarHBondContact ND2-O 3.24Å; N130-I505 PolarHBondContact OD1-N 3.07Å
131	D	98.5	Very high	97.6	Very high	36 Å²	36	31.7 Å²	31.7	19%	0.193	16%	0.159	C	C	.	.	S	Bend	trans	-68.3	-16.1	178.1	65.8	-55.3	0	0	0	114.7	A486 T490 K494 R504	D131-A486 HydrophobicContact CB-CB 3.99Å; D131-T490 HydrophobicContact CB-CG2 4.03Å; D131-K494 IonicContact OD2-NZ 3.28Å; D131-K494 PolarHBondContact OD2-NZ 3.26Å; D131-R504 IonicContact OD1-NH1 3.39Å; D131-R504 PolarHBondContact OD1-NH1 3.43Å
132	D	98.2	Very high	97.6	Very high	90 Å²	90	33.6 Å²	33.6	48%	0.481	17%	0.167	S	C	.	.	S	Bend	trans	-109.7	-30.9	-175.3	59.5	-35.9	0	0	0	114.6	N130 R504	N130-D132 WeakPolarHBondContact CB-OD1 3.42Å; N130-D132 PolarHBondContact O-N 3.01Å; D132-R504 VanDerWaalsContact CG-NH1 3.33Å; D132-R504 VanDerWaalsContact CG-NH2 3.28Å; D132-R504 IonicContact OD1-CZ 3.68Å; D132-R504 IonicContact OD1-NH1 2.95Å; D132-R504 PolarHBondContact OD1-NH1 2.85Å; D132-R504 IonicContact OD1-NH2 3.73Å; D132-R504 PolarHBondContact OD1-NH2 2.7Å; D132-R504 IonicContact OD2-CZ 3.16Å; D132-R504 IonicContact OD2-NH1 3.06Å; D132-R504 IonicContact OD2-NH2 2.73Å; D132-R504 PolarHBondContact OD2-NH2 2.92Å
133	Q	97.8	Very high	97.4	Very high	102 Å²	102	37.7 Å²	37.7	48%	0.477	19%	0.189	S	C	.	.			trans	-163.1	161.1	-179.3	58.2	174	-2	0	0	113.5	N130 F135 N482	N130-Q133 PolarHBondContact N-O 2.81Å; Q133-F135 HydrophobicContact CG-CD1 4.05Å; Q133-F135 HydrophobicContact CG-CE1 4.22Å; Q133-N482 PolarHBondContact O-ND2 3.48Å
134	S	98.5	Very high	97.3	Very high	38 Å²	38	38.1 Å²	38.1	27%	0.266	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	134.2	171.7	-59.3	0	0	0	0	111.4	V128 V129 E481 N482	V128-S134 CarbonylContact O-C 3.51Å; V128-S134 VanDerWaalsContact O-CA 3.27Å; V128-S134 WeakPolarHBondContact O-CA 3.49Å; V129-S134 WeakPolarHBondContact CG2-OG 3.49Å; S134-E481 WeakPolarHBondContact CB-OE1 3.36Å; S134-E481 PolarHBondContact OG-OE1 2.83Å; S134-N482 PolarHBondContact N-ND2 2.82Å; S134-N482 PolarHBondContact OG-ND2 3.18Å
135	F	98.1	Very high	97.3	Very high	67 Å²	67	37.4 Å²	37.4	29%	0.294	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	155.7	179.2	58.2	-83	0	0	0	111.7	R127 V128 Q133 A137 V149	R127-F135 CarbonylContact C-O 3.46Å; R127-F135 WeakPolarHBondContact CA-O 3.17Å; V128-F135 HydrophobicContact CB-CE1 4.37Å; V128-F135 HydrophobicContact CB-CE2 4.19Å; V128-F135 HydrophobicContact CB-CZ 4.1Å; V128-F135 HydrophobicContact CG1-CE1 4.06Å; V128-F135 HydrophobicContact CG1-CE2 4.43Å; V128-F135 HydrophobicContact CG1-CZ 3.86Å; V128-F135 PolarHBondContact N-O 2.92Å; V128-F135 PolarHBondContact O-N 3.47Å; Q133-F135 HydrophobicContact CG-CD1 4.05Å; Q133-F135 HydrophobicContact CG-CE1 4.22Å; F135-A137 HydrophobicContact CD2-CB 3.86Å; F135-A137 HydrophobicContact CE2-CB 3.69Å; F135-V149 HydrophobicContact CE2-CG1 3.94Å; F135-V149 HydrophobicContact CZ-CG1 4.12Å
136	Y	98.1	Very high	97.6	Very high	143 Å²	143	35.5 Å²	35.5	56%	0.561	17%	0.173	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-78.7	129.8	174.3	-72.5	-80.9	0	0	0	110.4	G126 R127	G126-Y136 WeakPolarHBondContact O-CA 3.25Å; G126-Y136 WeakPolarHBondContact O-CD1 3.42Å; R127-Y136 HydrophobicContact CB-CD1 4.11Å; R127-Y136 HydrophobicContact CB-CE1 3.9Å
137	A	97.9	Very high	97.7	Very high	4 Å²	4	39.4 Å²	39.4	3%	0.033	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162	151.7	177.3	0	0	0	0	0	111.1	G126 V128 F135 V149	G126-A137 PolarHBondContact O-N 2.92Å; G126-A137 VanDerWaalsContact O-N 3.15Å; V128-A137 HydrophobicContact CG2-CB 3.97Å; F135-A137 HydrophobicContact CD2-CB 3.86Å; F135-A137 HydrophobicContact CE2-CB 3.69Å; A137-V149 HydrophobicContact CB-CG1 3.87Å
138	D	97.9	Very high	97.7	Very high	12 Å²	12	40.9 Å²	40.9	6%	0.064	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	152.7	161.8	-57.5	-24.2	0	0	0	109.3	L122 I123 K124 G125 V149 G150 N152 L153	L122-D138 HydrophobicContact CD1-CB 4Å; I123-D138 CarbonylContact O-C 3.43Å; I123-D138 WeakPolarHBondContact O-CA 3.47Å; I123-D138 WeakPolarHBondContact O-CB 3.13Å; K124-D138 VanDerWaalsContact CA-OD1 3.25Å; K124-D138 WeakPolarHBondContact CA-OD1 3.32Å; K124-D138 WeakPolarHBondContact CE-OD2 3.37Å; K124-D138 IonicContact NZ-OD2 3.01Å; G125-D138 PolarHBondContact N-OD1 3.47Å; D138-V149 WeakPolarHBondContact O-CA 3.41Å; D138-G150 PolarHBondContact N-O 3.15Å; D138-G150 PolarHBondContact O-N 2.8Å; D138-G150 VanDerWaalsContact O-N 3.1Å; D138-N152 WeakPolarHBondContact OD2-CA 3.39Å; D138-N152 PolarHBondContact OD2-N 3.06Å; D138-L153 HydrophobicContact CB-CB 4.18Å; D138-L153 HydrophobicContact CB-CD1 3.97Å; D138-L153 HydrophobicContact CB-CG 3.96Å; D138-L153 WeakPolarHBondContact O-CD1 3.36Å; D138-L153 PolarHBondContact OD2-N 3.09Å; D138-L153 VanDerWaalsContact OD2-N 3.09Å
139	V	98.3	Very high	97.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	115.4	178.2	-176.8	0	0	0	0	109.7	I123 V128 V141 I146 V149 I169 I505 I513	I123-V139 HydrophobicContact CB-CB 4.35Å; I123-V139 PolarHBondContact N-O 2.59Å; I123-V139 PolarHBondContact O-N 2.97Å; V128-V139 HydrophobicContact CG2-CG2 3.75Å; V139-V141 HydrophobicContact CG1-CG2 4.33Å; V139-I146 HydrophobicContact CG1-CG1 4.44Å; V139-I146 HydrophobicContact CG1-CG2 3.85Å; V139-V149 HydrophobicContact CG1-CG2 4.33Å; V139-V149 HydrophobicContact CG2-CG1 4.35Å; V139-V149 HydrophobicContact CG2-CG2 4.39Å; V139-I169 HydrophobicContact CG2-CD1 4.21Å; V139-I169 HydrophobicContact CG2-CG2 4.25Å; V139-I505 HydrophobicContact CG1-CG2 4.41Å; V139-I505 HydrophobicContact CG2-CG2 3.93Å; V139-I513 HydrophobicContact CG1-CD1 4Å
140	Y	98	Very high	97.6	Very high	7 Å²	7	43.8 Å²	43.8	3%	0.027	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	125.6	176.6	177.3	-123.8	0	0	0	111	K120 L121 E142 K147 Q148 V155 V159	K120-Y140 HydrophobicContact CB-CE2 4.44Å; L121-Y140 WeakPolarHBondContact O-CD2 3.32Å; Y140-E142 HydrophobicContact CE1-CB 4.2Å; Y140-E142 WeakPolarHBondContact CE1-OE2 3.24Å; Y140-E142 PolarHBondContact OH-OE2 3.32Å; Y140-K147 HydrophobicContact CD1-CB 3.69Å; Y140-K147 HydrophobicContact CD1-CG 4.16Å; Y140-K147 HydrophobicContact CE1-CB 4Å; Y140-K147 HydrophobicContact CE1-CG 4.02Å; Y140-K147 PolarHBondContact O-N 3.21Å; Y140-Q148 PolarHBondContact N-O 2.81Å; Y140-Q148 PolarHBondContact O-N 2.88Å; Y140-V155 HydrophobicContact CD1-CG1 4.33Å; Y140-V155 HydrophobicContact CD2-CB 4.13Å; Y140-V155 HydrophobicContact CD2-CG1 3.55Å; Y140-V155 HydrophobicContact CE2-CB 4.24Å; Y140-V155 HydrophobicContact CE2-CG1 4.14Å; Y140-V155 HydrophobicContact CG-CG1 3.67Å; Y140-V159 HydrophobicContact CD2-CG1 4.32Å; Y140-V159 HydrophobicContact CE2-CG1 4.1Å; Y140-V159 HydrophobicContact CE2-CG2 3.92Å
141	V	97.6	Very high	97.4	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	135.1	-178.2	170.3	0	0	0	0	109.6	K120 L121 V139 I145 I146 A511 I513 M551	K120-V141 WeakPolarHBondContact CA-O 3.36Å; L121-V141 HydrophobicContact CB-CB 4.28Å; L121-V141 PolarHBondContact N-O 3.27Å; L121-V141 PolarHBondContact O-N 3.12Å; V139-V141 HydrophobicContact CG1-CG2 4.33Å; V141-I145 WeakPolarHBondContact CA-O 3.4Å; V141-I146 HydrophobicContact CG2-CG1 4.34Å; V141-A511 HydrophobicContact CB-CB 4.23Å; V141-A511 HydrophobicContact CG1-CB 3.39Å; V141-A511 HydrophobicContact CG2-CB 3.77Å; V141-I513 HydrophobicContact CG2-CD1 3.9Å; V141-M551 HydrophobicContact CG1-SD 4.33Å; V141-M551 HydrophobicContact CG2-SD 4.24Å
142	E	95.8	Very high	97.1	Very high	40 Å²	40	55.8 Å²	55.8	19%	0.187	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	136.3	175.4	167.2	173.5	-145.8	0	0	109.5	K120 Y140 G144 I145 K147	K120-E142 HydrophobicContact CD-CG 4.41Å; K120-E142 WeakPolarHBondContact CE-OE1 3.44Å; K120-E142 HydrophobicContact CG-CB 4.47Å; K120-E142 HydrophobicContact CG-CG 4.26Å; K120-E142 IonicContact NZ-OE1 3.62Å; K120-E142 PolarHBondContact NZ-OE1 2.73Å; Y140-E142 HydrophobicContact CE1-CB 4.2Å; Y140-E142 WeakPolarHBondContact CE1-OE2 3.24Å; Y140-E142 PolarHBondContact OH-OE2 3.32Å; E142-G144 VanDerWaalsContact C-N 3.25Å; E142-G144 PolarHBondContact O-N 2.95Å; E142-I145 PolarHBondContact N-O 2.99Å; E142-I145 PolarHBondContact O-N 3.37Å; E142-I145 VanDerWaalsContact O-N 3.16Å; E142-K147 HydrophobicContact CB-CD 4.42Å; E142-K147 HydrophobicContact CB-CG 3.81Å; E142-K147 WeakPolarHBondContact O-CE 3.27Å; E142-K147 PolarHBondContact O-NZ 2.91Å
143	D	93.9	Very high	96.9	Very high	89 Å²	89	52.7 Å²	52.7	48%	0.476	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	39.9	-177.3	-55.8	-47.2	0	0	0	114	G118 I145	G118-D143 WeakPolarHBondContact CA-OD1 3.49Å; G118-D143 PolarHBondContact N-OD1 3.26Å; D143-I145 VanDerWaalsContact C-N 3.26Å; D143-I145 PolarHBondContact O-N 3.28Å
144	G	95.4	Very high	96.5	Very high	9 Å²	9	52.4 Å²	52.4	9%	0.093	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.4	11	177.6	0	0	0	0	0	115.6	E142 A511 Q553	E142-G144 VanDerWaalsContact C-N 3.25Å; E142-G144 PolarHBondContact O-N 2.95Å; G144-A511 WeakPolarHBondContact O-CB 3.28Å; G144-A511 PolarHBondContact O-N 3.16Å; G144-Q553 WeakPolarHBondContact CA-O 3.35Å
145	I	98.1	Very high	96	Very high	45 Å²	45	52.6 Å²	52.6	23%	0.231	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	139.9	-178.7	-59.2	-62.3	0	0	0	109.7	V141 E142 D143 K147	V141-I145 WeakPolarHBondContact CA-O 3.4Å; E142-I145 PolarHBondContact N-O 2.99Å; E142-I145 PolarHBondContact O-N 3.37Å; E142-I145 VanDerWaalsContact O-N 3.16Å; D143-I145 VanDerWaalsContact C-N 3.26Å; D143-I145 PolarHBondContact O-N 3.28Å; I145-K147 HydrophobicContact CG2-CD 4.43Å; I145-K147 PolarHBondContact O-N 2.9Å
146	I	98.4	Very high	95.4	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	114.5	169.2	-58.3	178.7	0	0	0	107.9	V139 V141 V149 I505 A506 A507 G508 S509 A511 I513	V139-I146 HydrophobicContact CG1-CG1 4.44Å; V139-I146 HydrophobicContact CG1-CG2 3.85Å; V141-I146 HydrophobicContact CG2-CG1 4.34Å; I146-V149 HydrophobicContact CG2-CG2 3.68Å; I146-I505 HydrophobicContact CD1-CD1 4.02Å; I146-I505 HydrophobicContact CD1-CG2 4.27Å; I146-A506 WeakPolarHBondContact CB-O 3.39Å; I146-A506 WeakPolarHBondContact CG2-O 3.49Å; I146-A507 CarbonylContact O-C 3.52Å; I146-A507 WeakPolarHBondContact O-CA 3.29Å; I146-G508 PolarHBondContact O-N 2.8Å; I146-S509 PolarHBondContact N-O 3.47Å; I146-A511 HydrophobicContact CG1-CB 4.2Å; I146-I513 HydrophobicContact CD1-CD1 3.94Å; I146-I513 HydrophobicContact CD1-CG1 4.31Å; I146-I513 HydrophobicContact CG1-CD1 4.08Å
147	K	97.7	Very high	94.8	Very high	81 Å²	81	49.8 Å²	49.8	35%	0.352	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-40.1	180	-59	-56.5	-169.2	-165	0	112.4	Y140 E142 I145 A507	Y140-K147 HydrophobicContact CD1-CB 3.69Å; Y140-K147 HydrophobicContact CD1-CG 4.16Å; Y140-K147 HydrophobicContact CE1-CB 4Å; Y140-K147 HydrophobicContact CE1-CG 4.02Å; Y140-K147 PolarHBondContact O-N 3.21Å; E142-K147 HydrophobicContact CB-CD 4.42Å; E142-K147 HydrophobicContact CB-CG 3.81Å; E142-K147 WeakPolarHBondContact O-CE 3.27Å; E142-K147 PolarHBondContact O-NZ 2.91Å; I145-K147 HydrophobicContact CG2-CD 4.43Å; I145-K147 PolarHBondContact O-N 2.9Å; K147-A507 WeakPolarHBondContact O-CB 3.32Å
148	Q	97.5	Very high	94.3	Very high	93 Å²	93	53 Å²	53	44%	0.435	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	146.4	-176.5	-59.9	-177.5	11.5	0	0	110.8	Y140 L153	Y140-Q148 PolarHBondContact N-O 2.81Å; Y140-Q148 PolarHBondContact O-N 2.88Å; Q148-L153 HydrophobicContact CB-CD1 3.97Å; Q148-L153 HydrophobicContact CB-CD2 4.32Å
149	V	98.2	Very high	94	Very high	41 Å²	41	53 Å²	53	25%	0.248	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	126.1	170.5	-178.1	0	0	0	0	106.3	V128 F135 A137 D138 V139 I146 I505	V128-V149 HydrophobicContact CG2-CG1 4.19Å; F135-V149 HydrophobicContact CE2-CG1 3.94Å; F135-V149 HydrophobicContact CZ-CG1 4.12Å; A137-V149 HydrophobicContact CB-CG1 3.87Å; D138-V149 WeakPolarHBondContact O-CA 3.41Å; V139-V149 HydrophobicContact CG1-CG2 4.33Å; V139-V149 HydrophobicContact CG2-CG1 4.35Å; V139-V149 HydrophobicContact CG2-CG2 4.39Å; I146-V149 HydrophobicContact CG2-CG2 3.68Å; V149-I505 HydrophobicContact CG2-CG2 4.14Å
150	G	96.8	Very high	93.8	Very high	21 Å²	21	55.7 Å²	55.7	22%	0.216	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.3	172	-178.7	0	0	0	0	0	113.1	D138	D138-G150 PolarHBondContact N-O 3.15Å; D138-G150 PolarHBondContact O-N 2.8Å; D138-G150 VanDerWaalsContact O-N 3.1Å
151	E	94.4	Very high	93.7	Very high	150 Å²	150	57.4 Å²	57.4	70%	0.701	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	139.6	178.1	-63.9	-179.5	-175.6	0	0	111.7	L153	E151-L153 PolarHBondContact O-N 3.04Å
152	N	91.9	Very high	93.6	Very high	140 Å²	140	57.4 Å²	57.4	75%	0.749	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	49.5	170.5	-58.1	-72	0	0	0	114	D138 A154	D138-N152 WeakPolarHBondContact OD2-CA 3.39Å; D138-N152 PolarHBondContact OD2-N 3.06Å; N152-A154 PolarHBondContact O-N 3.21Å
153	L	94.3	Very high	93.6	Very high	24 Å²	24	58 Å²	58	13%	0.126	36%	0.358	C	S	.	.			trans	-64	127.5	-172.5	-68.5	179.7	0	0	0	112.3	L122 D138 Q148 E151 V155	L122-L153 HydrophobicContact CD1-CB 4.29Å; L122-L153 HydrophobicContact CD1-CD1 4.29Å; D138-L153 HydrophobicContact CB-CB 4.18Å; D138-L153 HydrophobicContact CB-CD1 3.97Å; D138-L153 HydrophobicContact CB-CG 3.96Å; D138-L153 WeakPolarHBondContact O-CD1 3.36Å; D138-L153 PolarHBondContact OD2-N 3.09Å; D138-L153 VanDerWaalsContact OD2-N 3.09Å; Q148-L153 HydrophobicContact CB-CD1 3.97Å; Q148-L153 HydrophobicContact CB-CD2 4.32Å; E151-L153 PolarHBondContact O-N 3.04Å; L153-V155 HydrophobicContact CB-CG1 4.34Å
154	A	89.8	Confident	93.6	Very high	97 Å²	97	53.8 Å²	53.8	80%	0.802	34%	0.335	S	S	*	.			trans	-86.9	104.2	169.2	0	0	0	0	0	109.5	N152	N152-A154 PolarHBondContact O-N 3.21Å
155	V	88.8	Confident	93.4	Very high	42 Å²	42	57.9 Å²	57.9	26%	0.255	36%	0.355	S	S	.	.			trans	-105	161.5	179.6	-59.2	0	0	0	0	111.6	L122 Y140 L153 V159	L122-V155 HydrophobicContact CD1-CG1 3.95Å; L122-V155 HydrophobicContact CD2-CG1 3.98Å; L122-V155 HydrophobicContact CD2-CG2 3.71Å; L122-V155 HydrophobicContact CG-CG1 4.41Å; Y140-V155 HydrophobicContact CD1-CG1 4.33Å; Y140-V155 HydrophobicContact CD2-CB 4.13Å; Y140-V155 HydrophobicContact CD2-CG1 3.55Å; Y140-V155 HydrophobicContact CE2-CB 4.24Å; Y140-V155 HydrophobicContact CE2-CG1 4.14Å; Y140-V155 HydrophobicContact CG-CG1 3.67Å; L153-V155 HydrophobicContact CB-CG1 4.34Å; V155-V159 HydrophobicContact CB-CG2 4.3Å; V155-V159 HydrophobicContact CG2-CB 4.04Å; V155-V159 HydrophobicContact CG2-CG1 4.14Å; V155-V159 HydrophobicContact CG2-CG2 4.04Å
156	P	85.4	Confident	93	Very high	74 Å²	74	57.5 Å²	57.5	48%	0.481	36%	0.362	S	S	.	.			trans	-57.6	161.9	171.6	-24.2	35.5	0	0	0	113.3	V159	P156-V159 WeakPolarHBondContact O-CG2 3.33Å
157	G	85.3	Confident	92.9	Very high	76 Å²	76	59 Å²	59	78%	0.784	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	159.4	169.4	0	0	0	0	0	112.6	V159	G157-V159 VanDerWaalsContact C-N 3.35Å
158	G	86.4	Confident	92.9	Very high	73 Å²	73	55.2 Å²	55.2	75%	0.753	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	12.8	179.4	0	0	0	0	0	115.3
159	V	93.1	Very high	93	Very high	12 Å²	12	50.8 Å²	50.8	7%	0.073	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-88.4	129.3	177.1	177.3	0	0	0	0	109.9	K120 L122 Y140 V155 P156 G157 V161	K120-V159 HydrophobicContact CB-CB 4.47Å; K120-V159 HydrophobicContact CB-CG1 4.43Å; K120-V159 HydrophobicContact CB-CG2 3.91Å; K120-V159 HydrophobicContact CD-CG2 4.48Å; L122-V159 HydrophobicContact CB-CG1 3.66Å; Y140-V159 HydrophobicContact CD2-CG1 4.32Å; Y140-V159 HydrophobicContact CE2-CG1 4.1Å; Y140-V159 HydrophobicContact CE2-CG2 3.92Å; V155-V159 HydrophobicContact CB-CG2 4.3Å; V155-V159 HydrophobicContact CG2-CB 4.04Å; V155-V159 HydrophobicContact CG2-CG1 4.14Å; V155-V159 HydrophobicContact CG2-CG2 4.04Å; P156-V159 WeakPolarHBondContact O-CG2 3.33Å; G157-V159 VanDerWaalsContact C-N 3.35Å; V159-V161 PolarHBondContact O-N 2.8Å
160	K	93.3	Very high	93	Very high	56 Å²	56	48.9 Å²	48.9	24%	0.243	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	124.6	175.5	173.3	-179.6	176.7	-177.9	0	109.5	K120 L121 L122 I556	K120-K160 PolarHBondContact O-N 3.37Å; L121-K160 WeakPolarHBondContact CA-O 3.34Å; L121-K160 HydrophobicContact CD2-CB 3.76Å; L121-K160 HydrophobicContact CD2-CD 3.89Å; L121-K160 HydrophobicContact CD2-CG 4.1Å; L122-K160 PolarHBondContact N-O 3.13Å; K160-I556 VanDerWaalsContact NZ-CD1 3.35Å
161	V	95.3	Very high	93.1	Very high	42 Å²	42	48 Å²	48	26%	0.255	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	135.9	179.8	177.7	0	0	0	0	110.4	L122 K124 V159 E163	L122-V161 WeakPolarHBondContact O-CA 3.38Å; K124-V161 HydrophobicContact CD-CG1 3.91Å; K124-V161 HydrophobicContact CG-CG1 3.98Å; V159-V161 PolarHBondContact O-N 2.8Å; V161-E163 HydrophobicContact CG1-CG 4.49Å; V161-E163 WeakPolarHBondContact CG1-OE1 3.36Å
162	I	95.9	Very high	93.3	Very high	0 Å²	0	41 Å²	41	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	111.9	175.4	-55.3	171	0	0	0	107.3	V103 L121 L122 I123 K124 A164 I515 L549 M551 I556	V103-I162 HydrophobicContact CG1-CG2 4.13Å; L121-I162 HydrophobicContact CB-CD1 4.47Å; L121-I162 HydrophobicContact CD1-CD1 4.32Å; L122-I162 PolarHBondContact O-N 2.77Å; I123-I162 CarbonylContact C-O 3.49Å; I123-I162 WeakPolarHBondContact CA-O 3.46Å; I123-I162 HydrophobicContact CG1-CB 4.48Å; I123-I162 HydrophobicContact CG1-CD1 4.35Å; K124-I162 PolarHBondContact N-O 3.39Å; I162-A164 PolarHBondContact O-N 2.93Å; I162-I515 HydrophobicContact CG2-CD1 3.61Å; I162-L549 HydrophobicContact CD1-CD1 4.33Å; I162-L549 HydrophobicContact CG2-CD1 3.9Å; I162-M551 HydrophobicContact CD1-CE 3.89Å; I162-I556 HydrophobicContact CD1-CD1 3.72Å; I162-I556 HydrophobicContact CD1-CG1 4.16Å; I162-I556 HydrophobicContact CG1-CD1 4.35Å
163	E	95.4	Very high	93.7	Very high	53 Å²	53	34.3 Å²	34.3	25%	0.248	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	109.5	179.4	-62.3	-63.2	167.7	0	0	110.4	V161 N165	V161-E163 HydrophobicContact CG1-CG 4.49Å; V161-E163 WeakPolarHBondContact CG1-OE1 3.36Å; E163-N165 VanDerWaalsContact C-N 3.28Å; E163-N165 PolarHBondContact O-N 3.48Å
164	A	95	Very high	93.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	24%	0.236	C	C	.	.			trans	-75.8	-16.8	178.7	0	0	0	0	0	112.7	I123 K124 I162 G166 R167 I169 I515	I123-A164 HydrophobicContact CG2-CB 3.95Å; K124-A164 WeakPolarHBondContact O-CB 3.37Å; K124-A164 PolarHBondContact O-N 2.86Å; I162-A164 PolarHBondContact O-N 2.93Å; A164-G166 VanDerWaalsContact C-N 3.31Å; A164-G166 PolarHBondContact O-N 2.92Å; A164-R167 WeakPolarHBondContact O-CB 3.27Å; A164-R167 VanDerWaalsContact O-CG 3.24Å; A164-R167 WeakPolarHBondContact O-CG 3.4Å; A164-R167 PolarHBondContact O-N 2.96Å; A164-I169 HydrophobicContact CB-CD1 4.4Å; A164-I169 HydrophobicContact CB-CG1 4.4Å; A164-I515 HydrophobicContact CB-CD1 4.37Å; A164-I515 HydrophobicContact CB-CG2 4.37Å
165	N	91.1	Very high	94.3	Very high	96 Å²	96	28.6 Å²	28.6	51%	0.513	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	43.4	175.6	-65	-29.5	0	0	0	113.6	E163 R167	E163-N165 VanDerWaalsContact C-N 3.28Å; E163-N165 PolarHBondContact O-N 3.48Å; N165-R167 PolarHBondContact O-N 3.37Å
166	G	89.6	Confident	94.8	Very high	36 Å²	36	26.6 Å²	26.6	37%	0.371	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	-5.6	-178.3	0	0	0	0	0	115.5	G125 A164	G125-G166 VanDerWaalsContact O-CA 3.32Å; G125-G166 WeakPolarHBondContact O-CA 3.44Å; G125-G166 PolarHBondContact O-N 2.72Å; A164-G166 VanDerWaalsContact C-N 3.31Å; A164-G166 PolarHBondContact O-N 2.92Å
167	R	96.1	Very high	95.4	Very high	33 Å²	33	23.2 Å²	23.2	13%	0.125	16%	0.164	C	C	.	.			trans	-62	162.3	176	-67.4	179.2	172.5	106.7	-4.2	112	S101 G126 R127 A164 N165 I515 D517	S101-R167 PolarHBondContact O-NH2 2.68Å; G126-R167 WeakPolarHBondContact CA-O 3.24Å; R127-R167 PolarHBondContact N-O 3.38Å; A164-R167 WeakPolarHBondContact O-CB 3.27Å; A164-R167 VanDerWaalsContact O-CG 3.24Å; A164-R167 WeakPolarHBondContact O-CG 3.4Å; A164-R167 PolarHBondContact O-N 2.96Å; N165-R167 PolarHBondContact O-N 3.37Å; R167-I515 HydrophobicContact CB-CG2 3.73Å; R167-I515 HydrophobicContact CG-CG2 4.49Å; R167-D517 IonicContact CZ-OD2 3.51Å; R167-D517 VanDerWaalsContact CZ-OD2 3.22Å; R167-D517 IonicContact NE-OD2 2.72Å; R167-D517 PolarHBondContact NE-OD2 3.23Å; R167-D517 IonicContact NH2-OD2 3.45Å; R167-D517 PolarHBondContact NH2-OD2 3.04Å
168	M	98.3	Very high	96.1	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	136.9	179.1	-72.3	171	50.7	0	0	111.2	R127 V129 I170 W470 E481 I515 W516	R127-M168 PolarHBondContact NH2-SD 3.03Å; R127-M168 CarbonylContact O-C 3.58Å; R127-M168 WeakPolarHBondContact O-CA 3.46Å; V129-M168 HydrophobicContact CB-CE 4.26Å; V129-M168 HydrophobicContact CG1-CE 4.23Å; V129-M168 HydrophobicContact CG2-CB 4.38Å; V129-M168 HydrophobicContact CG2-CE 4.02Å; V129-M168 HydrophobicContact CG2-CG 4.01Å; M168-I170 HydrophobicContact CB-CG2 4.41Å; M168-I170 HydrophobicContact CE-CG2 3.75Å; M168-W470 HydrophobicContact CE-CH2 3.82Å; M168-W470 HydrophobicContact CE-CZ3 3.63Å; M168-W470 HydrophobicContact SD-CH2 3.49Å; M168-W470 WeakPolarHBondContact SD-CH2 3.36Å; M168-W470 HydrophobicContact SD-CZ2 4.36Å; M168-W470 HydrophobicContact SD-CZ3 3.96Å; M168-E481 HydrophobicContact CE-CB 3.92Å; M168-E481 HydrophobicContact SD-CB 4.45Å; M168-I515 CarbonylContact O-C 3.5Å; M168-I515 VanDerWaalsContact O-CA 3.31Å; M168-I515 WeakPolarHBondContact O-CA 3.4Å; M168-W516 HydrophobicContact CB-CB 4.12Å; M168-W516 PolarHBondContact N-O 3.29Å; M168-W516 PolarHBondContact O-N 3.21Å
169	I	98.7	Very high	96.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	103.2	170.5	-54.8	172.5	0	0	0	106.4	I123 R127 V128 V129 V139 A164 I505 I513	I123-I169 HydrophobicContact CB-CD1 4.3Å; I123-I169 HydrophobicContact CD1-CG2 4.49Å; I123-I169 HydrophobicContact CG2-CD1 3.55Å; I123-I169 HydrophobicContact CG2-CG1 4.14Å; R127-I169 PolarHBondContact O-N 3.49Å; V128-I169 WeakPolarHBondContact CA-O 3.44Å; V128-I169 HydrophobicContact CG2-CB 4.23Å; V128-I169 HydrophobicContact CG2-CD1 4.28Å; V129-I169 PolarHBondContact N-O 2.99Å; V139-I169 HydrophobicContact CG2-CD1 4.21Å; V139-I169 HydrophobicContact CG2-CG2 4.25Å; A164-I169 HydrophobicContact CB-CD1 4.4Å; A164-I169 HydrophobicContact CB-CG1 4.4Å; I169-I505 HydrophobicContact CG2-CG1 4.47Å; I169-I513 HydrophobicContact CG2-CG2 3.44Å; I169-I513 VanDerWaalsContact CG2-CG2 3.44Å
170	I	98.9	Very high	96.8	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	156.3	-178.3	59	178.1	0	0	0	111.1	V129 M168 M466 F484 V485 V514 W516	V129-I170 HydrophobicContact CB-CG2 3.94Å; V129-I170 HydrophobicContact CG1-CG2 4.36Å; M168-I170 HydrophobicContact CB-CG2 4.41Å; M168-I170 HydrophobicContact CE-CG2 3.75Å; I170-M466 HydrophobicContact CD1-CE 3.76Å; I170-F484 HydrophobicContact CD1-CE1 3.79Å; I170-V485 HydrophobicContact CB-CG2 3.97Å; I170-V485 HydrophobicContact CG2-CG2 3.59Å; I170-V514 HydrophobicContact CD1-CB 4.2Å; I170-V514 HydrophobicContact CD1-CG1 4.39Å; I170-V514 HydrophobicContact CG1-CB 3.77Å; I170-V514 HydrophobicContact CG1-CG1 4.35Å; I170-V514 PolarHBondContact N-O 2.78Å; I170-V514 PolarHBondContact O-N 3.44Å; I170-W516 HydrophobicContact CD1-CB 3.86Å; I170-W516 HydrophobicContact CD1-CD2 4.16Å; I170-W516 HydrophobicContact CD1-CE3 4.01Å; I170-W516 HydrophobicContact CD1-CG 4.13Å; I170-W516 HydrophobicContact CG1-CB 4.25Å
171	P	98.9	Very high	97	Very high	3 Å²	3	15.5 Å²	15.5	2%	0.019	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58	142.8	164.1	-16.8	30.3	0	0	0	110	V485 I505	P171-V485 HydrophobicContact CG-CG1 3.78Å; P171-I505 HydrophobicContact CG-CD1 4.39Å; P171-I505 HydrophobicContact CG-CG1 4.08Å
172	G	98.8	Very high	96.9	Very high	3 Å²	3	15.3 Å²	15.3	3%	0.031	9%	0.086	C	C	.	.	P	Polyproline II helix	trans	-56.2	144.2	169.9	0	0	0	0	0	112	T206 S489 D512	G172-T206 WeakPolarHBondContact CA-OG1 3.36Å; G172-S489 WeakPolarHBondContact O-CB 3.06Å; G172-S489 PolarHBondContact O-OG 3Å; G172-D512 PolarHBondContact N-O 3.34Å
173	G	98.9	Very high	96.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	144.5	179.7	0	0	0	0	0	111.8	G204 T205 T206 M207 M466	G173-G204 PolarHBondContact N-O 2.88Å; G173-T205 CarbonylContact O-C 3.53Å; G173-T205 WeakPolarHBondContact O-CA 3.34Å; G173-T205 WeakPolarHBondContact O-CG2 3.44Å; G173-T206 PolarHBondContact O-N 2.78Å; G173-M207 PolarHBondContact O-N 2.91Å; G173-M466 VanDerWaalsContact CA-SD 3.53Å
174	I	98.9	Very high	96.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	113.4	169.1	-53.7	176.9	0	0	0	107.1	V176 M207 M209 R465 T488 S489 A492 A493 K502	I174-V176 HydrophobicContact CG2-CG1 4.27Å; I174-M207 WeakPolarHBondContact CA-O 3.14Å; I174-M207 HydrophobicContact CG1-CB 4.22Å; I174-M207 HydrophobicContact CG2-CB 4.28Å; I174-M207 HydrophobicContact CG2-CG 4.33Å; I174-M207 HydrophobicContact CG2-SD 4.32Å; I174-M209 HydrophobicContact CG2-CE 3.77Å; I174-R465 PolarHBondContact O-NH1 3.09Å; I174-R465 PolarHBondContact O-NH2 3.12Å; I174-T488 PolarHBondContact N-O 3.24Å; I174-S489 WeakPolarHBondContact CD1-O 3.31Å; I174-A492 HydrophobicContact CB-CB 3.96Å; I174-A492 HydrophobicContact CD1-CB 4.4Å; I174-A492 HydrophobicContact CG2-CB 3.9Å; I174-A493 HydrophobicContact CD1-CB 3.79Å; I174-K502 HydrophobicContact CD1-CB 3.81Å
175	D	98.9	Very high	95.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	128	167.2	-161.3	-24.4	0	0	0	108.7	N177 T205 M207 I208 M209 G434 S435 R465	D175-N177 PolarHBondContact OD1-N 3.25Å; D175-N177 VanDerWaalsContact OD1-N 3.14Å; D175-T205 HydrophobicContact CB-CG2 3.83Å; D175-M207 PolarHBondContact N-O 3.37Å; D175-I208 HydrophobicContact CB-CG2 4.33Å; D175-I208 CarbonylContact O-C 3.53Å; D175-I208 VanDerWaalsContact O-C 3.31Å; D175-I208 VanDerWaalsContact O-CA 3.3Å; D175-I208 WeakPolarHBondContact O-CA 3.43Å; D175-M209 PolarHBondContact O-N 3.46Å; D175-G434 VanDerWaalsContact OD1-CA 3.24Å; D175-G434 WeakPolarHBondContact OD1-CA 3.41Å; D175-S435 PolarHBondContact OD1-N 3.25Å; D175-S435 WeakPolarHBondContact OD2-CB 3.19Å; D175-S435 PolarHBondContact OD2-N 3.37Å; D175-S435 PolarHBondContact OD2-OG 3.45Å; D175-R465 WeakPolarHBondContact OD2-CD 3.43Å; D175-R465 IonicContact OD2-NE 2.95Å
176	V	98.5	Very high	95.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	-1	-173.3	-69.3	0	0	0	0	112.8	I174 H242 Y355 E381 V432 A492 F496	I174-V176 HydrophobicContact CG2-CG1 4.27Å; V176-H242 PolarHBondContact O-CD2 2.81Å; V176-H242 PolarHBondContact O-NE2 3.12Å; V176-H242 VanDerWaalsContact O-NE2 3.12Å; V176-Y355 WeakPolarHBondContact CG2-OH 3.2Å; V176-E381 HydrophobicContact CG2-CG 4.17Å; V176-E381 VanDerWaalsContact CG2-OE2 3.28Å; V176-E381 WeakPolarHBondContact CG2-OE2 3.44Å; V176-V432 HydrophobicContact CB-CG1 4.36Å; V176-V432 HydrophobicContact CG1-CG1 3.9Å; V176-V432 HydrophobicContact CG2-CG1 3.53Å; V176-A492 HydrophobicContact CG1-CB 3.38Å; V176-F496 HydrophobicContact CB-CE2 3.99Å; V176-F496 HydrophobicContact CG1-CD2 3.97Å; V176-F496 HydrophobicContact CG1-CE2 3.67Å
177	N	98.6	Very high	95.4	Very high	4 Å²	4	23 Å²	23	2%	0.021	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	94.7	-173.3	-166.6	-23.7	0	0	0	110.1	D175 E381 S435 A436 H437	D175-N177 PolarHBondContact OD1-N 3.25Å; D175-N177 VanDerWaalsContact OD1-N 3.14Å; N177-E381 WeakPolarHBondContact CB-OE1 3.5Å; N177-E381 PolarHBondContact ND2-OE1 2.8Å; N177-S435 PolarHBondContact O-OG 2.84Å; N177-A436 WeakPolarHBondContact O-CA 3.5Å; N177-A436 PolarHBondContact O-N 3.14Å; N177-H437 PolarHBondContact O-N 3.25Å
178	T	98.7	Very high	95.3	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	158.8	167.5	65.3	0	0	0	0	110.9	I208 M209 D210 H211 H437 V462	T178-I208 HydrophobicContact CG2-CB 4.17Å; T178-I208 HydrophobicContact CG2-CG2 4.19Å; T178-M209 PolarHBondContact N-O 2.98Å; T178-M209 VanDerWaalsContact N-O 3.07Å; T178-D210 WeakPolarHBondContact CB-OD1 3.31Å; T178-D210 WeakPolarHBondContact O-CA 3.44Å; T178-D210 VanDerWaalsContact O-OD1 3.1Å; T178-D210 WeakPolarHBondContact OG1-CA 3.28Å; T178-D210 WeakPolarHBondContact OG1-CB 3.42Å; T178-D210 PolarHBondContact OG1-OD1 3.02Å; T178-H211 PolarHBondContact O-N 3.48Å; T178-H437 HydrophobicContact CG2-CB 4.48Å; T178-V462 HydrophobicContact CG2-CG2 4.37Å
179	C	97.9	Very high	95.2	Very high	14 Å²	14	26.2 Å²	26.2	10%	0.095	16%	0.155	C	C	.	.			trans	-136.9	70.3	176.9	-69.5	0	0	0	0	110.4	K182 P189 D210 H437 C438	C179-K182 HydrophobicContact CB-CB 3.84Å; C179-K182 HydrophobicContact CB-CD 4.21Å; C179-P189 WeakPolarHBondContact O-CG 3.4Å; C179-D210 WeakPolarHBondContact CA-OD1 3.34Å; C179-D210 PolarHBondContact N-OD1 3.1Å; C179-H437 PolarHBondContact N-O 3.34Å; C179-C438 HydrophobicContact CB-CB 3.77Å
180	L	98	Very high	95.1	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.021	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-4.2	-172.9	-59.4	178.1	0	0	0	114.4	D191 F193 I208 D210	L180-D191 HydrophobicContact CD2-CB 4.31Å; L180-D191 WeakPolarHBondContact CD2-O 3.47Å; L180-F193 HydrophobicContact CB-CD1 4.49Å; L180-F193 HydrophobicContact CB-CG 4.49Å; L180-F193 HydrophobicContact CD1-CD1 3.87Å; L180-F193 HydrophobicContact CD1-CE1 4.21Å; L180-F193 HydrophobicContact CD1-CG 4.4Å; L180-I208 HydrophobicContact CD1-CD1 3.61Å; L180-D210 WeakPolarHBondContact CG-OD1 3.36Å; L180-D210 PolarHBondContact N-OD1 2.75Å; L180-D210 PolarHBondContact N-OD2 3.29Å
181	M	96.4	Very high	95	Very high	35 Å²	35	28.3 Å²	28.3	17%	0.172	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.6	18.1	175.8	-78.1	-176.7	52.2	0	0	113.7	S183 Q188 F193 W227 A230	M181-S183 PolarHBondContact O-N 2.92Å; M181-Q188 PolarHBondContact O-OE1 3.11Å; M181-F193 HydrophobicContact CG-CD2 4.13Å; M181-F193 HydrophobicContact CG-CE2 3.94Å; M181-F193 HydrophobicContact SD-CD2 3.8Å; M181-F193 HydrophobicContact SD-CE2 3.61Å; M181-W227 HydrophobicContact CB-CD2 4.31Å; M181-W227 HydrophobicContact CB-CH2 4.44Å; M181-W227 HydrophobicContact CB-CZ2 3.68Å; M181-W227 HydrophobicContact CE-CD2 4.17Å; M181-W227 HydrophobicContact CE-CE3 4.15Å; M181-W227 VanDerWaalsContact O-CZ2 3.32Å; M181-W227 WeakPolarHBondContact O-CZ2 3.08Å; M181-A230 HydrophobicContact CE-CB 3.93Å; M181-A230 HydrophobicContact SD-CB 3.3Å; M181-A230 WeakPolarHBondContact SD-CB 3.4Å
182	K	93.6	Very high	95	Very high	39 Å²	39	30.3 Å²	30.3	17%	0.17	18%	0.178	C	C	.	.			trans	-73	95	179.4	-175.4	-179.6	178.6	-170.8	0	110.3	C179 P189 T213 Y440	C179-K182 HydrophobicContact CB-CB 3.84Å; C179-K182 HydrophobicContact CB-CD 4.21Å; K182-P189 WeakPolarHBondContact O-CD 3.31Å; K182-T213 HydrophobicContact CB-CG2 4.3Å; K182-T213 HydrophobicContact CD-CG2 4.37Å; K182-T213 HydrophobicContact CG-CG2 4.07Å; K182-Y440 PolarHBondContact O-OH 3.4Å
183	S	89.7	Confident	94.9	Very high	48 Å²	48	30.2 Å²	30.2	34%	0.336	18%	0.177	S	C	.	.			trans	-63.3	135.2	177.8	-173	0	0	0	0	112	M181 G186 T187	M181-S183 PolarHBondContact O-N 2.92Å; S183-G186 WeakPolarHBondContact OG-CA 3.45Å; S183-G186 PolarHBondContact OG-N 2.8Å; S183-T187 CarbonylContact C-O 3.51Å; S183-T187 WeakPolarHBondContact CA-O 3.37Å
184	Y	88.5	Confident	94.9	Very high	48 Å²	48	31.8 Å²	31.8	19%	0.188	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-120	115.5	168.7	-172.3	-96.6	0	0	0	109.7	G186 T187 I447 L454 P456	Y184-G186 PolarHBondContact O-N 2.88Å; Y184-G186 VanDerWaalsContact O-N 3.14Å; Y184-T187 PolarHBondContact N-O 3.34Å; Y184-T187 PolarHBondContact O-N 2.97Å; Y184-T187 PolarHBondContact O-OG1 2.8Å; Y184-I447 HydrophobicContact CD1-CD1 4.3Å; Y184-I447 HydrophobicContact CE1-CD1 4.43Å; Y184-I447 HydrophobicContact CE1-CG2 4.35Å; Y184-L454 VanDerWaalsContact OH-C 3.23Å; Y184-L454 VanDerWaalsContact OH-CA 3.31Å; Y184-L454 WeakPolarHBondContact OH-CA 3.49Å; Y184-L454 PolarHBondContact OH-O 3.44Å; Y184-L454 VanDerWaalsContact OH-O 3.06Å; Y184-P456 HydrophobicContact CD1-CB 3.77Å; Y184-P456 HydrophobicContact CD1-CG 3.61Å; Y184-P456 HydrophobicContact CD2-CB 4.29Å; Y184-P456 HydrophobicContact CE1-CB 4.19Å; Y184-P456 HydrophobicContact CE1-CG 3.86Å; Y184-P456 HydrophobicContact CG-CB 3.82Å; Y184-P456 HydrophobicContact CG-CG 4.2Å
185	L	87.7	Confident	94.8	Very high	131 Å²	131	34.1 Å²	34.1	69%	0.686	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.8	37	-176	-59.6	177.4	0	0	0	113.7	T187 I447	L185-T187 VanDerWaalsContact C-N 3.34Å; L185-I447 HydrophobicContact CD1-CG2 4.12Å
186	G	83.8	Confident	94.8	Very high	67 Å²	67	34.2 Å²	34.2	69%	0.691	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	86	-3.3	-178.6	0	0	0	0	0	115.1	S183 Y184	S183-G186 WeakPolarHBondContact OG-CA 3.45Å; S183-G186 PolarHBondContact OG-N 2.8Å; Y184-G186 PolarHBondContact O-N 2.88Å; Y184-G186 VanDerWaalsContact O-N 3.14Å
187	T	85.5	Confident	94.8	Very high	51 Å²	51	34.2 Å²	34.2	31%	0.313	20%	0.196	S	C	.	.	B	Isolated β-bridge	trans	-98.9	134.5	175.2	72.3	0	0	0	0	111.2	S183 Y184 L185 Q444	S183-T187 CarbonylContact C-O 3.51Å; S183-T187 WeakPolarHBondContact CA-O 3.37Å; Y184-T187 PolarHBondContact N-O 3.34Å; Y184-T187 PolarHBondContact O-N 2.97Å; Y184-T187 PolarHBondContact O-OG1 2.8Å; L185-T187 VanDerWaalsContact C-N 3.34Å; T187-Q444 PolarHBondContact OG1-NE2 2.99Å
188	Q	93.4	Very high	94.8	Very high	91 Å²	91	36.5 Å²	36.5	43%	0.425	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-85.3	157.1	179.9	-69.4	-66.2	-19.3	0	0	111.6	M181 Q444	M181-Q188 PolarHBondContact O-OE1 3.11Å; Q188-Q444 PolarHBondContact O-NE2 3.39Å
189	P	96.4	Very high	94.8	Very high	11 Å²	11	36.4 Å²	36.4	7%	0.071	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-53	154.4	168.2	-24.5	36.1	0	0	0	111.9	C179 K182 D191 A439 Y440	C179-P189 WeakPolarHBondContact O-CG 3.4Å; K182-P189 WeakPolarHBondContact O-CD 3.31Å; P189-D191 VanDerWaalsContact C-N 3.32Å; P189-A439 CarbonylContact C-O 3.59Å; P189-A439 VanDerWaalsContact CA-O 3.25Å; P189-A439 WeakPolarHBondContact CA-O 3.43Å; P189-A439 VanDerWaalsContact CB-O 3.3Å; P189-A439 WeakPolarHBondContact CB-O 3.3Å; P189-Y440 HydrophobicContact CG-CE1 4.28Å
190	V	97.1	Very high	94.8	Very high	44 Å²	44	35.8 Å²	35.8	27%	0.267	20%	0.201	S	C	.	.	S	Bend	trans	-72.1	-29.2	177.2	-62.5	0	0	0	0	112.6	A439 A532 A533	V190-A439 HydrophobicContact CG2-CB 3.63Å; V190-A439 PolarHBondContact N-O 2.97Å; V190-A532 HydrophobicContact CB-CB 4.22Å; V190-A532 HydrophobicContact CG2-CB 4.23Å; V190-A533 HydrophobicContact CG2-CB 4.42Å
191	D	97.4	Very high	94.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-97.3	112.6	174.3	-72.3	-44.5	0	0	0	109.7	L180 P189 Q195 H437 A439 S531 A532	L180-D191 HydrophobicContact CD2-CB 4.31Å; L180-D191 WeakPolarHBondContact CD2-O 3.47Å; P189-D191 VanDerWaalsContact C-N 3.32Å; D191-Q195 HydrophobicContact CB-CB 4.46Å; D191-Q195 WeakPolarHBondContact OD1-CB 3.38Å; D191-Q195 WeakPolarHBondContact OD1-CG 3.5Å; D191-H437 IonicContact OD2-CE1 2.8Å; D191-H437 PolarHBondContact OD2-CE1 2.83Å; D191-H437 IonicContact OD2-NE2 3.22Å; D191-H437 PolarHBondContact OD2-NE2 3.33Å; D191-A439 HydrophobicContact CB-CB 4.26Å; D191-A439 VanDerWaalsContact OD2-CB 3.28Å; D191-A439 WeakPolarHBondContact OD2-CB 3.31Å; D191-S531 WeakPolarHBondContact OD1-CA 3.37Å; D191-S531 VanDerWaalsContact OD2-CB 3.24Å; D191-S531 WeakPolarHBondContact OD2-CB 3.32Å; D191-S531 PolarHBondContact OD2-OG 2.81Å; D191-A532 WeakPolarHBondContact OD1-CB 3.18Å; D191-A532 PolarHBondContact OD1-N 3.02Å
192	D	97.4	Very high	94.9	Very high	45 Å²	45	34.2 Å²	34.2	24%	0.241	20%	0.195	C	C	.	.			trans	-91.8	-175.3	172.4	74.6	-0.4	0	0	0	111.6	L194 Q195 G196 K234	D192-L194 PolarHBondContact O-N 2.8Å; D192-L194 VanDerWaalsContact O-N 3.1Å; D192-L194 WeakPolarHBondContact OD1-CA 3.35Å; D192-L194 WeakPolarHBondContact OD1-CB 3.41Å; D192-L194 PolarHBondContact OD1-N 3.19Å; D192-Q195 PolarHBondContact O-N 3.04Å; D192-Q195 VanDerWaalsContact O-N 3.16Å; D192-Q195 PolarHBondContact OD1-N 3.41Å; D192-G196 PolarHBondContact O-N 3.47Å; D192-K234 WeakPolarHBondContact OD2-CD 3.39Å; D192-K234 WeakPolarHBondContact OD2-CE 3.26Å; D192-K234 IonicContact OD2-NZ 3.71Å; D192-K234 PolarHBondContact OD2-NZ 3.05Å
193	F	98.5	Very high	95.1	Very high	1 Å²	1	32.6 Å²	32.6	0%	0.004	19%	0.189	C	C	.	.	H	α-helix	trans	-54.4	-27.6	176.1	-82.7	-70.2	0	0	0	115	L180 M181 T197 I208 D210 A230 A231 K234 L241	L180-F193 HydrophobicContact CB-CD1 4.49Å; L180-F193 HydrophobicContact CB-CG 4.49Å; L180-F193 HydrophobicContact CD1-CD1 3.87Å; L180-F193 HydrophobicContact CD1-CE1 4.21Å; L180-F193 HydrophobicContact CD1-CG 4.4Å; M181-F193 HydrophobicContact CG-CD2 4.13Å; M181-F193 HydrophobicContact CG-CE2 3.94Å; M181-F193 HydrophobicContact SD-CD2 3.8Å; M181-F193 HydrophobicContact SD-CE2 3.61Å; F193-T197 WeakPolarHBondContact O-CB 3.18Å; F193-T197 VanDerWaalsContact O-CG2 3.23Å; F193-T197 WeakPolarHBondContact O-CG2 3.29Å; F193-T197 PolarHBondContact O-OG1 2.85Å; F193-I208 HydrophobicContact CD1-CD1 4.12Å; F193-I208 HydrophobicContact CE1-CD1 4.05Å; F193-D210 HydrophobicContact CE1-CB 3.74Å; F193-D210 HydrophobicContact CZ-CB 3.7Å; F193-D210 WeakPolarHBondContact CZ-OD2 3.47Å; F193-A230 HydrophobicContact CD2-CB 4.46Å; F193-A231 HydrophobicContact CD1-CB 3.74Å; F193-A231 HydrophobicContact CD2-CB 3.9Å; F193-A231 HydrophobicContact CE1-CB 3.75Å; F193-A231 HydrophobicContact CE2-CB 3.89Å; F193-A231 HydrophobicContact CG-CB 3.83Å; F193-A231 HydrophobicContact CZ-CB 3.83Å; F193-K234 HydrophobicContact CB-CB 3.67Å; F193-K234 HydrophobicContact CB-CD 4.45Å; F193-L241 HydrophobicContact CZ-CD2 4.38Å
194	L	98	Very high	95.5	Very high	33 Å²	33	30.3 Å²	30.3	17%	0.173	17%	0.173	C	C	.	.	H	α-helix	trans	-77.4	-50.3	175.8	172.3	59	0	0	0	109.9	D192 T197 K198 K234 C236 Q567	D192-L194 PolarHBondContact O-N 2.8Å; D192-L194 VanDerWaalsContact O-N 3.1Å; D192-L194 WeakPolarHBondContact OD1-CA 3.35Å; D192-L194 WeakPolarHBondContact OD1-CB 3.41Å; D192-L194 PolarHBondContact OD1-N 3.19Å; L194-T197 PolarHBondContact O-OG1 2.92Å; L194-K198 HydrophobicContact CD1-CD 4.07Å; L194-K198 HydrophobicContact CD1-CG 4.43Å; L194-K198 HydrophobicContact CG-CD 4.47Å; L194-K198 WeakPolarHBondContact O-CB 3.2Å; L194-K198 VanDerWaalsContact O-CG 3.24Å; L194-K198 WeakPolarHBondContact O-CG 3.46Å; L194-K198 PolarHBondContact O-N 2.97Å; L194-K198 VanDerWaalsContact O-N 3.16Å; L194-K234 HydrophobicContact CB-CB 4.12Å; L194-C236 VanDerWaalsContact CD1-SG 3.6Å; L194-Q567 HydrophobicContact CD1-CB 3.87Å; L194-Q567 HydrophobicContact CD1-CG 4Å; L194-Q567 HydrophobicContact CD2-CG 4.31Å
195	Q	97.7	Very high	96	Very high	50 Å²	50	28 Å²	28	23%	0.234	16%	0.164	C	C	.	.	H	α-helix	trans	-76	-39.1	-173.7	-160.6	55.8	72.8	0	0	112.9	D191 D192 K198 A199 Q530 A532	D191-Q195 HydrophobicContact CB-CB 4.46Å; D191-Q195 WeakPolarHBondContact OD1-CB 3.38Å; D191-Q195 WeakPolarHBondContact OD1-CG 3.5Å; D192-Q195 PolarHBondContact O-N 3.04Å; D192-Q195 VanDerWaalsContact O-N 3.16Å; D192-Q195 PolarHBondContact OD1-N 3.41Å; Q195-K198 WeakPolarHBondContact O-CB 3.44Å; Q195-K198 PolarHBondContact O-N 3.41Å; Q195-A199 PolarHBondContact O-N 2.87Å; Q195-Q530 PolarHBondContact NE2-O 2.84Å; Q195-A532 HydrophobicContact CG-CB 4.29Å
196	G	98	Very high	96.5	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.01	13%	0.131	C	C	.	.	H	α-helix	trans	-65.1	-41.6	176.1	0	0	0	0	0	113.3	D192 A199 A200	D192-G196 PolarHBondContact O-N 3.47Å; G196-A199 PolarHBondContact O-N 3.35Å; G196-A200 PolarHBondContact O-N 2.84Å
197	T	98.6	Very high	97.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-74.1	-27.9	176.1	60.8	0	0	0	0	112.9	F193 L194 A200 L201 I208 A235 C236	F193-T197 WeakPolarHBondContact O-CB 3.18Å; F193-T197 VanDerWaalsContact O-CG2 3.23Å; F193-T197 WeakPolarHBondContact O-CG2 3.29Å; F193-T197 PolarHBondContact O-OG1 2.85Å; L194-T197 PolarHBondContact O-OG1 2.92Å; T197-A200 PolarHBondContact O-N 2.9Å; T197-L201 WeakPolarHBondContact O-CB 3.49Å; T197-L201 WeakPolarHBondContact O-CG 3.38Å; T197-L201 PolarHBondContact O-N 2.91Å; T197-I208 HydrophobicContact CG2-CD1 3.57Å; T197-I208 HydrophobicContact CG2-CG1 4.16Å; T197-A235 HydrophobicContact CG2-CB 4.11Å; T197-C236 WeakPolarHBondContact OG1-CB 3.35Å; T197-C236 PolarHBondContact OG1-N 2.91Å
198	K	98.1	Very high	97.9	Very high	52 Å²	52	16.2 Å²	16.2	23%	0.226	8%	0.084	C	C	.	.	H	α-helix	trans	-63	-43.5	167.7	-81	-179	172.2	176.5	0	112.2	L194 Q195 L201 A202 L563 A565	L194-K198 HydrophobicContact CD1-CD 4.07Å; L194-K198 HydrophobicContact CD1-CG 4.43Å; L194-K198 HydrophobicContact CG-CD 4.47Å; L194-K198 WeakPolarHBondContact O-CB 3.2Å; L194-K198 VanDerWaalsContact O-CG 3.24Å; L194-K198 WeakPolarHBondContact O-CG 3.46Å; L194-K198 PolarHBondContact O-N 2.97Å; L194-K198 VanDerWaalsContact O-N 3.16Å; Q195-K198 WeakPolarHBondContact O-CB 3.44Å; Q195-K198 PolarHBondContact O-N 3.41Å; K198-L201 PolarHBondContact O-N 2.97Å; K198-A202 WeakPolarHBondContact O-CB 3.34Å; K198-A202 PolarHBondContact O-N 2.85Å; K198-L563 HydrophobicContact CB-CD2 3.51Å; K198-L563 HydrophobicContact CD-CD2 4.13Å; K198-L563 HydrophobicContact CG-CD2 3.62Å; K198-L563 WeakPolarHBondContact O-CD2 3.33Å; K198-A565 HydrophobicContact CG-CB 4.07Å
199	A	98.1	Very high	98.1	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-63.6	-43.6	173.8	0	0	0	0	0	112	Q195 G196 L201 A202 G203 V462 E463 Q530	Q195-A199 PolarHBondContact O-N 2.87Å; G196-A199 PolarHBondContact O-N 3.35Å; A199-L201 PolarHBondContact O-N 3.02Å; A199-A202 PolarHBondContact O-N 2.83Å; A199-G203 PolarHBondContact O-N 3.46Å; A199-G203 VanDerWaalsContact O-N 3.1Å; A199-V462 HydrophobicContact CB-CG1 3.59Å; A199-E463 HydrophobicContact CB-CB 4.25Å; A199-E463 WeakPolarHBondContact O-CA 3.25Å; A199-E463 WeakPolarHBondContact O-CB 3.34Å; A199-Q530 HydrophobicContact CB-CB 3.95Å
200	A	98.7	Very high	98.3	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-54.6	-51.3	173.2	0	0	0	0	0	111.9	G196 T197 A202 G203 G204 T205 I208 V462	G196-A200 PolarHBondContact O-N 2.84Å; T197-A200 PolarHBondContact O-N 2.9Å; A200-A202 PolarHBondContact O-N 2.86Å; A200-G203 CarbonylContact O-C 3.56Å; A200-G203 WeakPolarHBondContact O-CA 3.3Å; A200-G203 PolarHBondContact O-N 3.48Å; A200-G204 PolarHBondContact O-N 3.39Å; A200-T205 CarbonylContact C-O 3.51Å; A200-T205 HydrophobicContact CB-CG2 3.97Å; A200-T205 WeakPolarHBondContact O-CA 3.48Å; A200-T205 WeakPolarHBondContact O-CB 3.44Å; A200-T205 PolarHBondContact O-N 3.41Å; A200-T205 VanDerWaalsContact O-O 3.11Å; A200-I208 HydrophobicContact CB-CG2 4.03Å; A200-V462 HydrophobicContact CB-CG2 3.68Å
201	L	98.8	Very high	98.3	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-63.5	-39.4	179.9	-74.1	176.1	0	0	0	112.8	T197 K198 A199 G203 G204 T205 T206 C236 C237 V550 V557 L563 A565	T197-L201 WeakPolarHBondContact O-CB 3.49Å; T197-L201 WeakPolarHBondContact O-CG 3.38Å; T197-L201 PolarHBondContact O-N 2.91Å; K198-L201 PolarHBondContact O-N 2.97Å; A199-L201 PolarHBondContact O-N 3.02Å; L201-G203 PolarHBondContact O-N 3.21Å; L201-G204 PolarHBondContact O-N 2.93Å; L201-T205 WeakPolarHBondContact CA-O 3.39Å; L201-T205 PolarHBondContact N-O 3.41Å; L201-T206 HydrophobicContact CD2-CG2 4.33Å; L201-C236 HydrophobicContact CD1-CB 3.71Å; L201-C237 HydrophobicContact CD1-CB 4.15Å; L201-C237 HydrophobicContact CD2-CB 3.74Å; L201-C237 HydrophobicContact CG-CB 3.9Å; L201-V550 HydrophobicContact CD2-CG1 4.23Å; L201-V550 WeakPolarHBondContact O-CG2 3.24Å; L201-V557 HydrophobicContact CD1-CB 4.28Å; L201-V557 HydrophobicContact CD1-CG2 4.03Å; L201-V557 HydrophobicContact CD2-CG2 3.76Å; L201-V557 HydrophobicContact CG-CG2 4.34Å; L201-L563 HydrophobicContact CB-CD1 3.86Å; L201-A565 HydrophobicContact CD1-CB 3.9Å
202	A	98	Very high	98.4	Very high	7 Å²	7	9.4 Å²	9.4	6%	0.058	5%	0.048	C	C	.	.	H	α-helix	trans	-64.2	-25.2	174.2	0	0	0	0	0	113	K198 A199 A200 E463 Q530 P547 Y558 L563	K198-A202 WeakPolarHBondContact O-CB 3.34Å; K198-A202 PolarHBondContact O-N 2.85Å; A199-A202 PolarHBondContact O-N 2.83Å; A200-A202 PolarHBondContact O-N 2.86Å; A202-E463 HydrophobicContact CB-CG 4.26Å; A202-Q530 HydrophobicContact CB-CG 3.63Å; A202-P547 VanDerWaalsContact O-CG 3.29Å; A202-P547 WeakPolarHBondContact O-CG 3.32Å; A202-Y558 HydrophobicContact CB-CD2 4.25Å; A202-Y558 HydrophobicContact CB-CE2 4.13Å; A202-L563 HydrophobicContact CB-CD1 4.47Å
203	G	97.6	Very high	98.4	Very high	4 Å²	4	8 Å²	8	4%	0.041	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-1.9	175.2	0	0	0	0	0	116.1	A199 A200 L201 E463	A199-G203 PolarHBondContact O-N 3.46Å; A199-G203 VanDerWaalsContact O-N 3.1Å; A200-G203 CarbonylContact O-C 3.56Å; A200-G203 WeakPolarHBondContact O-CA 3.3Å; A200-G203 PolarHBondContact O-N 3.48Å; L201-G203 PolarHBondContact O-N 3.21Å; G203-E463 WeakPolarHBondContact CA-O 3.45Å
204	G	98.4	Very high	98.2	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.7	3.9	-173.7	0	0	0	0	0	115.3	G173 A200 L201 M466 V514	G173-G204 PolarHBondContact N-O 2.88Å; A200-G204 PolarHBondContact O-N 3.39Å; L201-G204 PolarHBondContact O-N 2.93Å; G204-M466 VanDerWaalsContact C-SD 3.53Å; G204-M466 VanDerWaalsContact O-SD 3.33Å; G204-V514 VanDerWaalsContact O-CG2 3.25Å; G204-V514 WeakPolarHBondContact O-CG2 3.3Å
205	T	98.9	Very high	98	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	119	173.3	-65.2	0	0	0	0	109.7	G173 D175 A200 L201 M207 I208 R465	G173-T205 CarbonylContact O-C 3.53Å; G173-T205 WeakPolarHBondContact O-CA 3.34Å; G173-T205 WeakPolarHBondContact O-CG2 3.44Å; D175-T205 HydrophobicContact CB-CG2 3.83Å; A200-T205 CarbonylContact C-O 3.51Å; A200-T205 HydrophobicContact CB-CG2 3.97Å; A200-T205 WeakPolarHBondContact O-CA 3.48Å; A200-T205 WeakPolarHBondContact O-CB 3.44Å; A200-T205 PolarHBondContact O-N 3.41Å; A200-T205 VanDerWaalsContact O-O 3.11Å; L201-T205 WeakPolarHBondContact CA-O 3.39Å; L201-T205 PolarHBondContact N-O 3.41Å; T205-M207 WeakPolarHBondContact CG2-O 3.32Å; T205-I208 HydrophobicContact CG2-CG2 4.37Å; T205-R465 PolarHBondContact OG1-NH2 2.93Å
206	T	98.9	Very high	97.8	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.006	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	-2.9	-177.8	63.6	0	0	0	0	113.3	G172 G173 L201 C237 D238 D512 V550 M551	G172-T206 WeakPolarHBondContact CA-OG1 3.36Å; G173-T206 PolarHBondContact O-N 2.78Å; L201-T206 HydrophobicContact CD2-CG2 4.33Å; T206-C237 VanDerWaalsContact O-CB 3.31Å; T206-C237 WeakPolarHBondContact O-CB 3.38Å; T206-D238 PolarHBondContact O-N 3.48Å; T206-D512 HydrophobicContact CG2-CB 4.31Å; T206-D512 WeakPolarHBondContact OG1-CB 3.34Å; T206-D512 PolarHBondContact OG1-OD2 3.48Å; T206-V550 HydrophobicContact CG2-CG1 3.7Å; T206-M551 WeakPolarHBondContact CG2-O 3.5Å
207	M	98.9	Very high	97.5	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	139.5	171.7	-173.5	179.2	-177.7	0	0	111.8	G173 I174 D175 T205 M209 D238 L498 K502 L573	G173-M207 PolarHBondContact O-N 2.91Å; I174-M207 WeakPolarHBondContact CA-O 3.14Å; I174-M207 HydrophobicContact CG1-CB 4.22Å; I174-M207 HydrophobicContact CG2-CB 4.28Å; I174-M207 HydrophobicContact CG2-CG 4.33Å; I174-M207 HydrophobicContact CG2-SD 4.32Å; D175-M207 PolarHBondContact N-O 3.37Å; T205-M207 WeakPolarHBondContact CG2-O 3.32Å; M207-M209 HydrophobicContact CE-CE 4.15Å; M207-M209 HydrophobicContact SD-CE 4.44Å; M207-D238 VanDerWaalsContact CA-O 3.25Å; M207-D238 WeakPolarHBondContact CA-O 3.42Å; M207-D238 HydrophobicContact CG-CB 4.47Å; M207-L498 HydrophobicContact CE-CD1 3.57Å; M207-L498 HydrophobicContact SD-CD1 3.74Å; M207-K502 HydrophobicContact SD-CD 4.38Å; M207-K502 HydrophobicContact SD-CG 4.21Å; M207-L573 HydrophobicContact CE-CB 3.96Å; M207-L573 HydrophobicContact CE-CD1 3.86Å; M207-L573 HydrophobicContact CE-CG 4.16Å; M207-L573 HydrophobicContact SD-CD1 3.89Å
208	I	98.9	Very high	97.2	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	156.9	169.5	65.4	167.3	0	0	0	111.9	D175 T178 L180 F193 T197 A200 T205 D238 Y239 S240	D175-I208 HydrophobicContact CB-CG2 4.33Å; D175-I208 CarbonylContact O-C 3.53Å; D175-I208 VanDerWaalsContact O-C 3.31Å; D175-I208 VanDerWaalsContact O-CA 3.3Å; D175-I208 WeakPolarHBondContact O-CA 3.43Å; T178-I208 HydrophobicContact CG2-CB 4.17Å; T178-I208 HydrophobicContact CG2-CG2 4.19Å; L180-I208 HydrophobicContact CD1-CD1 3.61Å; F193-I208 HydrophobicContact CD1-CD1 4.12Å; F193-I208 HydrophobicContact CE1-CD1 4.05Å; T197-I208 HydrophobicContact CG2-CD1 3.57Å; T197-I208 HydrophobicContact CG2-CG1 4.16Å; A200-I208 HydrophobicContact CB-CG2 4.03Å; T205-I208 HydrophobicContact CG2-CG2 4.37Å; I208-D238 PolarHBondContact N-O 3.4Å; I208-Y239 CarbonylContact O-C 3.58Å; I208-Y239 VanDerWaalsContact O-CA 3.28Å; I208-Y239 WeakPolarHBondContact O-CA 3.38Å; I208-S240 PolarHBondContact O-N 3.02Å
209	M	98.8	Very high	97.2	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	111.3	163.4	-50.8	-160.2	-163.1	0	0	109	I174 D175 T178 M207 S240 H242 F496 L498 R575	I174-M209 HydrophobicContact CG2-CE 3.77Å; D175-M209 PolarHBondContact O-N 3.46Å; T178-M209 PolarHBondContact N-O 2.98Å; T178-M209 VanDerWaalsContact N-O 3.07Å; M207-M209 HydrophobicContact CE-CE 4.15Å; M207-M209 HydrophobicContact SD-CE 4.44Å; M209-S240 WeakPolarHBondContact CA-O 3.4Å; M209-H242 WeakPolarHBondContact CB-NE2 3.44Å; M209-F496 HydrophobicContact CE-CB 3.87Å; M209-F496 HydrophobicContact CE-CD2 3.97Å; M209-F496 HydrophobicContact CE-CG 4.16Å; M209-F496 HydrophobicContact SD-CB 4.08Å; M209-F496 HydrophobicContact SD-CD2 3.94Å; M209-F496 HydrophobicContact SD-CG 3.96Å; M209-L498 HydrophobicContact CE-CD1 3.74Å; M209-R575 PolarHBondContact SD-NH1 3.04Å
210	D	98.9	Very high	97.1	Very high	0 Å²	0	16 Å²	16	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	144.3	-175.2	-159	74	0	0	0	111.4	T178 C179 L180 F193 W227 S240 L241 H242	T178-D210 WeakPolarHBondContact CB-OD1 3.31Å; T178-D210 WeakPolarHBondContact O-CA 3.44Å; T178-D210 VanDerWaalsContact O-OD1 3.1Å; T178-D210 WeakPolarHBondContact OG1-CA 3.28Å; T178-D210 WeakPolarHBondContact OG1-CB 3.42Å; T178-D210 PolarHBondContact OG1-OD1 3.02Å; C179-D210 WeakPolarHBondContact CA-OD1 3.34Å; C179-D210 PolarHBondContact N-OD1 3.1Å; L180-D210 WeakPolarHBondContact CG-OD1 3.36Å; L180-D210 PolarHBondContact N-OD1 2.75Å; L180-D210 PolarHBondContact N-OD2 3.29Å; F193-D210 HydrophobicContact CE1-CB 3.74Å; F193-D210 HydrophobicContact CZ-CB 3.7Å; F193-D210 WeakPolarHBondContact CZ-OD2 3.47Å; D210-W227 PolarHBondContact OD2-NE1 2.75Å; D210-S240 PolarHBondContact N-O 2.59Å; D210-S240 VanDerWaalsContact N-O 3.12Å; D210-L241 HydrophobicContact CB-CD2 3.85Å; D210-L241 CarbonylContact O-C 3.57Å; D210-L241 WeakPolarHBondContact O-CA 3.48Å; D210-H242 PolarHBondContact O-N 2.83Å
211	H	98.7	Very high	97.1	Very high	4 Å²	4	17.7 Å²	17.7	2%	0.019	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	117.5	175.5	-79.2	-93.7	0	0	0	111.4	T178 T213 W227 H242 D244	T178-H211 PolarHBondContact O-N 3.48Å; H211-T213 HydrophobicContact CB-CG2 4.08Å; H211-T213 PolarHBondContact O-N 2.92Å; H211-W227 PolarHBondContact O-NE1 2.73Å; H211-H242 AromaticContact NE2-CD2 3.93Å; H211-D244 IonicContact CE1-OD1 2.75Å; H211-D244 IonicContact CG-OD1 2.65Å; H211-D244 IonicContact ND1-OD1 3.53Å; H211-D244 PolarHBondContact ND1-OD1 2.65Å; H211-D244 IonicContact ND1-OD2 2.92Å
212	V	98.6	Very high	97	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	113.3	164.4	-175.2	0	0	0	0	107.4	P214 A223 W227 L241 H242 V243 D244	V212-P214 VanDerWaalsContact C-CD 3.43Å; V212-P214 WeakPolarHBondContact O-CD 3.44Å; V212-A223 VanDerWaalsContact CG1-C 3.48Å; V212-A223 HydrophobicContact CG1-CB 3.78Å; V212-W227 HydrophobicContact CB-CD2 4.34Å; V212-W227 HydrophobicContact CB-CG 4.22Å; V212-W227 HydrophobicContact CG1-CB 4.38Å; V212-W227 HydrophobicContact CG1-CD2 3.95Å; V212-W227 HydrophobicContact CG1-CE3 4.02Å; V212-W227 HydrophobicContact CG1-CG 4.13Å; V212-W227 HydrophobicContact CG2-CB 3.79Å; V212-W227 HydrophobicContact CG2-CD2 4.42Å; V212-W227 HydrophobicContact CG2-CG 3.79Å; V212-L241 HydrophobicContact CG2-CB 3.94Å; V212-L241 HydrophobicContact CG2-CD1 3.95Å; V212-L241 HydrophobicContact CG2-CD2 4.11Å; V212-L241 HydrophobicContact CG2-CG 4.21Å; V212-H242 WeakPolarHBondContact CB-O 3.41Å; V212-H242 WeakPolarHBondContact CG2-O 3.41Å; V212-H242 PolarHBondContact N-O 3.15Å; V212-V243 HydrophobicContact CB-CG2 4.19Å; V212-V243 HydrophobicContact CG2-CG2 4.16Å; V212-D244 VanDerWaalsContact O-CB 3.28Å; V212-D244 WeakPolarHBondContact O-CB 3.3Å; V212-D244 PolarHBondContact O-N 2.93Å
213	T	96.4	Very high	97	Very high	15 Å²	15	23.3 Å²	23.3	9%	0.092	14%	0.142	C	C	.	.			trans	-111.1	77.1	-173.8	66.6	0	0	0	0	112.2	K182 H211 W227	K182-T213 HydrophobicContact CB-CG2 4.3Å; K182-T213 HydrophobicContact CD-CG2 4.37Å; K182-T213 HydrophobicContact CG-CG2 4.07Å; H211-T213 HydrophobicContact CB-CG2 4.08Å; H211-T213 PolarHBondContact O-N 2.92Å; T213-W227 WeakPolarHBondContact OG1-CZ2 3.38Å
214	P	95.4	Very high	97.1	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.013	14%	0.14	C	C	.	.			trans	-65.2	153.5	173.5	21.7	-24.1	0	0	0	111.6	V212 D218 L220 A223 D244 P246	V212-P214 VanDerWaalsContact C-CD 3.43Å; V212-P214 WeakPolarHBondContact O-CD 3.44Å; P214-D218 HydrophobicContact CB-CB 3.83Å; P214-L220 HydrophobicContact CB-CD2 4.24Å; P214-L220 HydrophobicContact CG-CD2 3.49Å; P214-L220 VanDerWaalsContact CG-CD2 3.49Å; P214-A223 HydrophobicContact CB-CB 3.76Å; P214-A223 HydrophobicContact CG-CB 4.25Å; P214-D244 WeakPolarHBondContact CG-O 3.19Å; P214-P246 HydrophobicContact CB-CG 4.49Å; P214-P246 HydrophobicContact CG-CG 4.25Å
215	Q	93.4	Very high	97.1	Very high	82 Å²	82	27.1 Å²	27.1	38%	0.383	16%	0.158	S	C	.	.			trans	-84.3	160.7	171.3	-64.6	-57.6	-77.6	0	0	111.4	G217 D218 Y278	Q215-G217 PolarHBondContact O-N 3.32Å; Q215-G217 VanDerWaalsContact O-N 3.08Å; Q215-D218 PolarHBondContact N-OD2 2.98Å; Q215-D218 WeakPolarHBondContact O-CB 3.33Å; Q215-D218 PolarHBondContact O-N 2.74Å; Q215-Y278 PolarHBondContact NE2-OH 3.29Å; Q215-Y278 VanDerWaalsContact NE2-OH 3.07Å
216	P	92.8	Very high	97	Very high	46 Å²	46	32.5 Å²	32.5	30%	0.299	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	114.9	176.2	-23.3	35.3	0	0	0	111.6	P246 Q247 L277 Y278	P216-P246 HydrophobicContact CG-CB 4.23Å; P216-Q247 HydrophobicContact CB-CG 4.04Å; P216-L277 HydrophobicContact CG-CD1 3.99Å; P216-L277 WeakPolarHBondContact CG-O 3.49Å; P216-Y278 HydrophobicContact CG-CD1 4.32Å; P216-Y278 HydrophobicContact CG-CE1 4.17Å
217	G	91.6	Very high	97	Very high	74 Å²	74	32.9 Å²	32.9	76%	0.763	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	101.9	-9	-177	0	0	0	0	0	115.3	Q215	Q215-G217 PolarHBondContact O-N 3.32Å; Q215-G217 VanDerWaalsContact O-N 3.08Å
218	D	94.2	Very high	97	Very high	69 Å²	69	34.9 Å²	34.9	37%	0.369	19%	0.189	S	C	.	.	S	Bend	trans	-69.4	150.8	168.8	-70.1	-6.5	0	0	0	110.8	P214 Q215 R226	P214-D218 HydrophobicContact CB-CB 3.83Å; Q215-D218 PolarHBondContact N-OD2 2.98Å; Q215-D218 WeakPolarHBondContact O-CB 3.33Å; Q215-D218 PolarHBondContact O-N 2.74Å; D218-R226 IonicContact OD2-NH2 2.58Å
219	S	96.4	Very high	97	Very high	28 Å²	28	39.9 Å²	39.9	20%	0.196	21%	0.213	C	C	.	.			trans	-67.8	132.9	162.6	162.3	0	0	0	0	110.2	L221 E222 A223 E255	S219-L221 VanDerWaalsContact C-N 3.33Å; S219-L221 PolarHBondContact OG-N 3.41Å; S219-E222 PolarHBondContact OG-N 3.15Å; S219-E222 VanDerWaalsContact OG-N 3.11Å; S219-A223 WeakPolarHBondContact O-CB 3.4Å; S219-A223 PolarHBondContact O-N 3.31Å; S219-A223 VanDerWaalsContact O-N 3.09Å; S219-E255 WeakPolarHBondContact CB-OE2 3.43Å; S219-E255 PolarHBondContact OG-OE2 3.06Å
220	L	97.9	Very high	96.9	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.021	22%	0.221	C	C	.	.	H	α-helix	trans	-67	-37.5	173.7	-57.4	-168.2	0	0	0	111.3	P214 F224 V243 I245 V252 E255 L256 L259	P214-L220 HydrophobicContact CB-CD2 4.24Å; P214-L220 HydrophobicContact CG-CD2 3.49Å; P214-L220 VanDerWaalsContact CG-CD2 3.49Å; L220-F224 WeakPolarHBondContact O-CB 3.43Å; L220-F224 PolarHBondContact O-N 3.23Å; L220-V243 HydrophobicContact CB-CG1 4.15Å; L220-V243 HydrophobicContact CD1-CG1 4.28Å; L220-V243 HydrophobicContact CD2-CG1 4.47Å; L220-I245 HydrophobicContact CD1-CG1 4.28Å; L220-V252 HydrophobicContact CD1-CG2 3.37Å; L220-V252 HydrophobicContact CG-CG2 3.87Å; L220-E255 HydrophobicContact CB-CB 4.42Å; L220-E255 PolarHBondContact N-OE2 3.06Å; L220-L256 HydrophobicContact CD1-CD2 3.66Å; L220-L256 HydrophobicContact CD1-CG 4.09Å; L220-L259 HydrophobicContact CB-CD1 3.78Å; L220-L259 HydrophobicContact CD1-CD1 4.46Å
221	L	97.1	Very high	96.9	Very high	35 Å²	35	40.9 Å²	40.9	18%	0.183	22%	0.221	C	C	.	.	H	α-helix	trans	-64.6	-51.3	177.8	-174.9	70.7	0	0	0	111.4	S219 A223 F224 E225 E255 L258 L259 K263	S219-L221 VanDerWaalsContact C-N 3.33Å; S219-L221 PolarHBondContact OG-N 3.41Å; L221-A223 VanDerWaalsContact C-N 3.27Å; L221-A223 PolarHBondContact O-N 2.94Å; L221-F224 WeakPolarHBondContact O-CB 3.43Å; L221-F224 PolarHBondContact O-N 3.16Å; L221-E225 WeakPolarHBondContact O-CG 3.4Å; L221-E225 PolarHBondContact O-N 3.22Å; L221-E255 PolarHBondContact N-OE2 3.34Å; L221-L258 HydrophobicContact CD1-CD2 3.69Å; L221-L258 HydrophobicContact CD1-CG 4.3Å; L221-L258 HydrophobicContact CD2-CD2 3.5Å; L221-L258 VanDerWaalsContact CD2-CD2 3.5Å; L221-L258 HydrophobicContact CG-CD2 4.18Å; L221-L259 HydrophobicContact CD1-CD2 4.2Å; L221-K263 HydrophobicContact CD1-CD 4.49Å; L221-K263 HydrophobicContact CD1-CG 4.1Å
222	E	97.6	Very high	96.9	Very high	126 Å²	126	44 Å²	44	59%	0.589	24%	0.238	S	C	*	.	H	α-helix	trans	-63.6	-34.9	178.6	-66.5	-178.1	165.6	0	0	111.6	S219 R226	S219-E222 PolarHBondContact OG-N 3.15Å; S219-E222 VanDerWaalsContact OG-N 3.11Å; E222-R226 VanDerWaalsContact O-CG 3.28Å; E222-R226 WeakPolarHBondContact O-CG 3.48Å; E222-R226 PolarHBondContact O-N 3.01Å; E222-R226 VanDerWaalsContact O-N 3.14Å; E222-R226 PolarHBondContact O-NE 3.45Å
223	A	97.9	Very high	96.9	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-65.3	-45.8	172.4	0	0	0	0	0	112	V212 P214 S219 L221 E225 R226 W227	V212-A223 VanDerWaalsContact CG1-C 3.48Å; V212-A223 HydrophobicContact CG1-CB 3.78Å; P214-A223 HydrophobicContact CB-CB 3.76Å; P214-A223 HydrophobicContact CG-CB 4.25Å; S219-A223 WeakPolarHBondContact O-CB 3.4Å; S219-A223 PolarHBondContact O-N 3.31Å; S219-A223 VanDerWaalsContact O-N 3.09Å; L221-A223 VanDerWaalsContact C-N 3.27Å; L221-A223 PolarHBondContact O-N 2.94Å; A223-E225 PolarHBondContact O-N 3.04Å; A223-R226 PolarHBondContact O-N 3.42Å; A223-W227 VanDerWaalsContact O-CE3 3.3Å; A223-W227 PolarHBondContact O-N 2.95Å; A223-W227 VanDerWaalsContact O-N 3.09Å
224	F	98.5	Very high	97	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-58.6	-46.9	175.6	162.4	-92.4	0	0	0	111.7	L220 L221 R226 W227 Q228 L241 V243 L259 K263 I265 F572	L220-F224 WeakPolarHBondContact O-CB 3.43Å; L220-F224 PolarHBondContact O-N 3.23Å; L221-F224 WeakPolarHBondContact O-CB 3.43Å; L221-F224 PolarHBondContact O-N 3.16Å; F224-R226 PolarHBondContact O-N 2.93Å; F224-W227 PolarHBondContact O-N 3.42Å; F224-Q228 HydrophobicContact CE1-CB 4.46Å; F224-Q228 VanDerWaalsContact CE1-OE1 3.23Å; F224-Q228 HydrophobicContact CZ-CB 4.23Å; F224-Q228 HydrophobicContact CZ-CG 4.41Å; F224-Q228 VanDerWaalsContact CZ-OE1 3.3Å; F224-Q228 WeakPolarHBondContact O-CB 3.05Å; F224-Q228 PolarHBondContact O-N 3.42Å; F224-L241 HydrophobicContact CD2-CB 4.44Å; F224-L241 HydrophobicContact CD2-CD1 3.78Å; F224-L241 HydrophobicContact CE2-CB 4.39Å; F224-L241 HydrophobicContact CE2-CD1 3.66Å; F224-V243 HydrophobicContact CB-CG2 4.37Å; F224-V243 HydrophobicContact CD2-CG2 4.39Å; F224-L259 HydrophobicContact CB-CD2 3.66Å; F224-L259 HydrophobicContact CD1-CD2 3.91Å; F224-L259 HydrophobicContact CD2-CD2 4.2Å; F224-L259 HydrophobicContact CG-CD2 3.61Å; F224-K263 HydrophobicContact CD1-CB 4.28Å; F224-K263 HydrophobicContact CD1-CD 4.34Å; F224-K263 HydrophobicContact CD1-CG 4.05Å; F224-K263 HydrophobicContact CE1-CB 3.71Å; F224-K263 HydrophobicContact CE1-CD 3.73Å; F224-K263 HydrophobicContact CE1-CG 3.71Å; F224-K263 HydrophobicContact CZ-CB 3.84Å; F224-K263 HydrophobicContact CZ-CG 4.37Å; F224-I265 HydrophobicContact CD2-CD1 4.07Å; F224-I265 HydrophobicContact CD2-CG1 4.1Å; F224-I265 HydrophobicContact CE2-CD1 3.69Å; F224-I265 HydrophobicContact CE2-CG1 3.98Å; F224-F572 HydrophobicContact CE2-CE2 4.15Å; F224-F572 HydrophobicContact CE2-CZ 4.02Å; F224-F572 HydrophobicContact CZ-CE2 4.47Å; F224-F572 HydrophobicContact CZ-CZ 4.07Å
225	E	98.4	Very high	97.1	Very high	83 Å²	83	52.4 Å²	52.4	39%	0.388	27%	0.273	S	S	.	.	H	α-helix	trans	-64.2	-38.5	-178.8	-70	-174.1	162.3	0	0	112	L221 A223 Q228 E229 K263	L221-E225 WeakPolarHBondContact O-CG 3.4Å; L221-E225 PolarHBondContact O-N 3.22Å; A223-E225 PolarHBondContact O-N 3.04Å; E225-Q228 PolarHBondContact O-N 2.6Å; E225-E229 WeakPolarHBondContact O-CB 3.29Å; E225-E229 PolarHBondContact O-N 2.85Å; E225-K263 WeakPolarHBondContact OE1-CE 3.47Å; E225-K263 IonicContact OE1-NZ 3.41Å; E225-K263 PolarHBondContact OE1-NZ 3.31Å
226	R	98.3	Very high	97.3	Very high	113 Å²	113	48.5 Å²	48.5	43%	0.426	25%	0.254	S	S	.	.	H	α-helix	trans	-63	-40.5	173.2	-73.7	-178.7	-62.5	122.7	-12.9	113	D218 E222 A223 F224 A230	D218-R226 IonicContact OD2-NH2 2.58Å; E222-R226 VanDerWaalsContact O-CG 3.28Å; E222-R226 WeakPolarHBondContact O-CG 3.48Å; E222-R226 PolarHBondContact O-N 3.01Å; E222-R226 VanDerWaalsContact O-N 3.14Å; E222-R226 PolarHBondContact O-NE 3.45Å; A223-R226 PolarHBondContact O-N 3.42Å; F224-R226 PolarHBondContact O-N 2.93Å; R226-A230 WeakPolarHBondContact O-CB 3.2Å; R226-A230 PolarHBondContact O-N 2.79Å; R226-A230 VanDerWaalsContact O-N 3.14Å
227	W	98.6	Very high	97.6	Very high	10 Å²	10	46.3 Å²	46.3	4%	0.038	24%	0.24	C	C	.	.	H	α-helix	trans	-67.7	-45	176	-103.3	-113.1	0	0	0	111.4	M181 D210 H211 V212 T213 A223 F224 A230 A231 L241	M181-W227 HydrophobicContact CB-CD2 4.31Å; M181-W227 HydrophobicContact CB-CH2 4.44Å; M181-W227 HydrophobicContact CB-CZ2 3.68Å; M181-W227 HydrophobicContact CE-CD2 4.17Å; M181-W227 HydrophobicContact CE-CE3 4.15Å; M181-W227 VanDerWaalsContact O-CZ2 3.32Å; M181-W227 WeakPolarHBondContact O-CZ2 3.08Å; D210-W227 PolarHBondContact OD2-NE1 2.75Å; H211-W227 PolarHBondContact O-NE1 2.73Å; V212-W227 HydrophobicContact CB-CD2 4.34Å; V212-W227 HydrophobicContact CB-CG 4.22Å; V212-W227 HydrophobicContact CG1-CB 4.38Å; V212-W227 HydrophobicContact CG1-CD2 3.95Å; V212-W227 HydrophobicContact CG1-CE3 4.02Å; V212-W227 HydrophobicContact CG1-CG 4.13Å; V212-W227 HydrophobicContact CG2-CB 3.79Å; V212-W227 HydrophobicContact CG2-CD2 4.42Å; V212-W227 HydrophobicContact CG2-CG 3.79Å; T213-W227 WeakPolarHBondContact OG1-CZ2 3.38Å; A223-W227 VanDerWaalsContact O-CE3 3.3Å; A223-W227 PolarHBondContact O-N 2.95Å; A223-W227 VanDerWaalsContact O-N 3.09Å; F224-W227 PolarHBondContact O-N 3.42Å; W227-A230 PolarHBondContact O-N 3.38Å; W227-A231 VanDerWaalsContact O-CB 3.31Å; W227-A231 WeakPolarHBondContact O-CB 3.12Å; W227-A231 PolarHBondContact O-N 3.15Å; W227-L241 HydrophobicContact CB-CD1 3.99Å; W227-L241 HydrophobicContact CB-CD2 4.44Å
228	Q	98.5	Very high	98	Very high	41 Å²	41	42.8 Å²	42.8	19%	0.192	20%	0.204	C	C	.	.	H	α-helix	trans	-60.1	-48.6	177.3	-172.9	174.6	32.8	0	0	111.2	F224 E225 A230 A231 D232 Y239 L241 F572	F224-Q228 HydrophobicContact CE1-CB 4.46Å; F224-Q228 VanDerWaalsContact CE1-OE1 3.23Å; F224-Q228 HydrophobicContact CZ-CB 4.23Å; F224-Q228 HydrophobicContact CZ-CG 4.41Å; F224-Q228 VanDerWaalsContact CZ-OE1 3.3Å; F224-Q228 WeakPolarHBondContact O-CB 3.05Å; F224-Q228 PolarHBondContact O-N 3.42Å; E225-Q228 PolarHBondContact O-N 2.6Å; Q228-A230 VanDerWaalsContact C-N 3.31Å; Q228-A230 PolarHBondContact O-N 3.05Å; Q228-A231 PolarHBondContact O-N 3.26Å; Q228-D232 WeakPolarHBondContact O-CB 3.34Å; Q228-D232 PolarHBondContact O-N 3.3Å; Q228-Y239 PolarHBondContact O-OH 2.85Å; Q228-L241 HydrophobicContact CB-CD1 4.28Å; Q228-F572 VanDerWaalsContact NE2-CD1 3.28Å
229	E	98.4	Very high	98.2	Very high	106 Å²	106	39.5 Å²	39.5	50%	0.495	19%	0.186	S	C	.	.	H	α-helix	trans	-60	-40.6	177.7	-174.4	-172.8	-168.9	0	0	112.2	E225 K233	E225-E229 WeakPolarHBondContact O-CB 3.29Å; E225-E229 PolarHBondContact O-N 2.85Å; E229-K233 VanDerWaalsContact CD-NZ 3.25Å; E229-K233 HydrophobicContact CG-CD 4.29Å; E229-K233 WeakPolarHBondContact O-CB 3.45Å; E229-K233 WeakPolarHBondContact O-CD 3.25Å; E229-K233 VanDerWaalsContact O-CG 3.23Å; E229-K233 WeakPolarHBondContact O-CG 3.37Å; E229-K233 PolarHBondContact O-N 3.02Å; E229-K233 WeakPolarHBondContact OE1-CE 3.48Å; E229-K233 IonicContact OE1-NZ 2.78Å; E229-K233 PolarHBondContact OE1-NZ 2.97Å
230	A	98.2	Very high	98.3	Very high	21 Å²	21	38.1 Å²	38.1	17%	0.174	18%	0.177	C	C	.	.	H	α-helix	trans	-69.5	-39	178.4	0	0	0	0	0	112.5	M181 F193 R226 W227 Q228 K234	M181-A230 HydrophobicContact CE-CB 3.93Å; M181-A230 HydrophobicContact SD-CB 3.3Å; M181-A230 WeakPolarHBondContact SD-CB 3.4Å; F193-A230 HydrophobicContact CD2-CB 4.46Å; R226-A230 WeakPolarHBondContact O-CB 3.2Å; R226-A230 PolarHBondContact O-N 2.79Å; R226-A230 VanDerWaalsContact O-N 3.14Å; W227-A230 PolarHBondContact O-N 3.38Å; Q228-A230 VanDerWaalsContact C-N 3.31Å; Q228-A230 PolarHBondContact O-N 3.05Å; A230-K234 WeakPolarHBondContact O-CB 3.45Å; A230-K234 WeakPolarHBondContact O-CG 3.44Å; A230-K234 PolarHBondContact O-N 2.91Å
231	A	98.3	Very high	98.3	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-71.7	-46.5	178.2	0	0	0	0	0	112.1	F193 W227 Q228 K233 K234 A235 Y239	F193-A231 HydrophobicContact CD1-CB 3.74Å; F193-A231 HydrophobicContact CD2-CB 3.9Å; F193-A231 HydrophobicContact CE1-CB 3.75Å; F193-A231 HydrophobicContact CE2-CB 3.89Å; F193-A231 HydrophobicContact CG-CB 3.83Å; F193-A231 HydrophobicContact CZ-CB 3.83Å; W227-A231 VanDerWaalsContact O-CB 3.31Å; W227-A231 WeakPolarHBondContact O-CB 3.12Å; W227-A231 PolarHBondContact O-N 3.15Å; Q228-A231 PolarHBondContact O-N 3.26Å; A231-K233 PolarHBondContact O-N 2.9Å; A231-K234 PolarHBondContact O-N 3.34Å; A231-A235 VanDerWaalsContact O-CB 3.27Å; A231-A235 WeakPolarHBondContact O-CB 3.33Å; A231-A235 PolarHBondContact O-N 2.94Å; A231-Y239 HydrophobicContact CB-CD1 4.28Å; A231-Y239 HydrophobicContact CB-CD2 3.87Å; A231-Y239 HydrophobicContact CB-CE1 3.8Å; A231-Y239 HydrophobicContact CB-CE2 3.32Å; A231-Y239 HydrophobicContact CB-CG 4.32Å
232	D	98.4	Very high	98.4	Very high	70 Å²	70	36.3 Å²	36.3	37%	0.374	17%	0.167	S	C	.	.	H	α-helix	trans	-56.5	-34.5	175.8	-75.5	-17.3	0	0	0	112.1	Q228 Y239	Q228-D232 WeakPolarHBondContact O-CB 3.34Å; Q228-D232 PolarHBondContact O-N 3.3Å; D232-Y239 VanDerWaalsContact CG-OH 3.23Å; D232-Y239 WeakPolarHBondContact OD1-CE1 3.27Å; D232-Y239 PolarHBondContact OD1-OH 2.67Å
233	K	98.1	Very high	98.5	Very high	120 Å²	120	30.3 Å²	30.3	52%	0.522	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-14	176.5	-71.9	173.2	-172	173.3	0	114.8	E229 A231 Q567	E229-K233 VanDerWaalsContact CD-NZ 3.25Å; E229-K233 HydrophobicContact CG-CD 4.29Å; E229-K233 WeakPolarHBondContact O-CB 3.45Å; E229-K233 WeakPolarHBondContact O-CD 3.25Å; E229-K233 VanDerWaalsContact O-CG 3.23Å; E229-K233 WeakPolarHBondContact O-CG 3.37Å; E229-K233 PolarHBondContact O-N 3.02Å; E229-K233 WeakPolarHBondContact OE1-CE 3.48Å; E229-K233 IonicContact OE1-NZ 2.78Å; E229-K233 PolarHBondContact OE1-NZ 2.97Å; A231-K233 PolarHBondContact O-N 2.9Å; K233-Q567 WeakPolarHBondContact O-CG 3.34Å; K233-Q567 PolarHBondContact O-NE2 3.01Å
234	K	98.3	Very high	98.5	Very high	72 Å²	72	30.5 Å²	30.5	31%	0.313	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-132.6	-40.2	-164.8	-72.1	-172.4	175.5	-171.6	0	115.6	D192 F193 L194 A230 A231 C236 G568	D192-K234 WeakPolarHBondContact OD2-CD 3.39Å; D192-K234 WeakPolarHBondContact OD2-CE 3.26Å; D192-K234 IonicContact OD2-NZ 3.71Å; D192-K234 PolarHBondContact OD2-NZ 3.05Å; F193-K234 HydrophobicContact CB-CB 3.67Å; F193-K234 HydrophobicContact CB-CD 4.45Å; L194-K234 HydrophobicContact CB-CB 4.12Å; A230-K234 WeakPolarHBondContact O-CB 3.45Å; A230-K234 WeakPolarHBondContact O-CG 3.44Å; A230-K234 PolarHBondContact O-N 2.91Å; A231-K234 PolarHBondContact O-N 3.34Å; K234-C236 PolarHBondContact O-N 3.24Å; K234-G568 PolarHBondContact O-N 2.69Å
235	A	98.4	Very high	98.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.14	C	C	.	.			trans	-57	135.4	-173.3	0	0	0	0	0	112.1	T197 A231 Y239 G568 T569 G570	T197-A235 HydrophobicContact CG2-CB 4.11Å; A231-A235 VanDerWaalsContact O-CB 3.27Å; A231-A235 WeakPolarHBondContact O-CB 3.33Å; A231-A235 PolarHBondContact O-N 2.94Å; A235-Y239 HydrophobicContact CB-CD1 4.02Å; A235-G568 CarbonylContact O-C 3.4Å; A235-G568 VanDerWaalsContact O-CA 3.3Å; A235-G568 WeakPolarHBondContact O-CA 3.42Å; A235-G568 PolarHBondContact O-N 3.41Å; A235-T569 PolarHBondContact O-N 2.65Å; A235-T569 VanDerWaalsContact O-N 3.13Å; A235-G570 PolarHBondContact O-N 3.24Å
236	C	98.3	Very high	98.3	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	-93	-24.2	175.9	-68.9	0	0	0	0	113.2	L194 T197 L201 K234 A565 Q566 T569	L194-C236 VanDerWaalsContact CD1-SG 3.6Å; T197-C236 WeakPolarHBondContact OG1-CB 3.35Å; T197-C236 PolarHBondContact OG1-N 2.91Å; L201-C236 HydrophobicContact CD1-CB 3.71Å; K234-C236 PolarHBondContact O-N 3.24Å; C236-A565 HydrophobicContact CB-CB 3.87Å; C236-Q566 PolarHBondContact SG-O 3.06Å; C236-T569 PolarHBondContact O-OG1 3.19Å
237	C	98.5	Very high	98.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	-118.1	166.1	178.9	75.5	0	0	0	0	110.7	L201 T206 G570	L201-C237 HydrophobicContact CD1-CB 4.15Å; L201-C237 HydrophobicContact CD2-CB 3.74Å; L201-C237 HydrophobicContact CG-CB 3.9Å; T206-C237 VanDerWaalsContact O-CB 3.31Å; T206-C237 WeakPolarHBondContact O-CB 3.38Å; C237-G570 VanDerWaalsContact C-CA 3.47Å; C237-G570 WeakPolarHBondContact O-CA 3.36Å
238	D	98.9	Very high	97.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	151.6	175.3	-81.6	-2.2	0	0	0	110.9	T206 M207 I208 K502 Q553 R571 L573	T206-D238 PolarHBondContact O-N 3.48Å; M207-D238 VanDerWaalsContact CA-O 3.25Å; M207-D238 WeakPolarHBondContact CA-O 3.42Å; M207-D238 HydrophobicContact CG-CB 4.47Å; I208-D238 PolarHBondContact N-O 3.4Å; D238-K502 IonicContact OD2-NZ 2.73Å; D238-K502 PolarHBondContact OD2-NZ 3.34Å; D238-Q553 PolarHBondContact OD1-NE2 3.48Å; D238-R571 WeakPolarHBondContact OD1-CB 3.22Å; D238-R571 IonicContact OD1-CZ 2.8Å; D238-R571 PolarHBondContact OD1-N 2.88Å; D238-R571 VanDerWaalsContact OD1-N 3.14Å; D238-R571 IonicContact OD1-NE 3.85Å; D238-R571 PolarHBondContact OD1-NE 3.28Å; D238-R571 IonicContact OD1-NH2 2.68Å; D238-R571 IonicContact OD2-CZ 3.64Å; D238-R571 IonicContact OD2-NE 3.67Å; D238-R571 PolarHBondContact OD2-NE 3.3Å; D238-R571 IonicContact OD2-NH2 3.26Å; D238-R571 PolarHBondContact OD2-NH2 2.99Å; D238-L573 HydrophobicContact CB-CD1 3.96Å; D238-L573 HydrophobicContact CB-CG 4.11Å
239	Y	98.9	Very high	97.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	163.7	-179.1	78.1	-81.4	0	0	0	111.9	I208 Q228 A231 D232 A235 L241 R571 F572 L573	I208-Y239 CarbonylContact O-C 3.58Å; I208-Y239 VanDerWaalsContact O-CA 3.28Å; I208-Y239 WeakPolarHBondContact O-CA 3.38Å; Q228-Y239 PolarHBondContact O-OH 2.85Å; A231-Y239 HydrophobicContact CB-CD1 4.28Å; A231-Y239 HydrophobicContact CB-CD2 3.87Å; A231-Y239 HydrophobicContact CB-CE1 3.8Å; A231-Y239 HydrophobicContact CB-CE2 3.32Å; A231-Y239 HydrophobicContact CB-CG 4.32Å; D232-Y239 VanDerWaalsContact CG-OH 3.23Å; D232-Y239 WeakPolarHBondContact OD1-CE1 3.27Å; D232-Y239 PolarHBondContact OD1-OH 2.67Å; A235-Y239 HydrophobicContact CB-CD1 4.02Å; Y239-L241 HydrophobicContact CD2-CD2 4.29Å; Y239-L241 HydrophobicContact CD2-CG 4.29Å; Y239-L241 HydrophobicContact CE2-CD1 4.29Å; Y239-L241 HydrophobicContact CE2-CD2 4.35Å; Y239-L241 HydrophobicContact CE2-CG 4.12Å; Y239-R571 PolarHBondContact N-O 2.94Å; Y239-F572 HydrophobicContact CD2-CD2 4.24Å; Y239-F572 HydrophobicContact CE1-CB 3.99Å; Y239-F572 HydrophobicContact CE2-CB 4.29Å; Y239-F572 AromaticContact CE2-CD2 3.68Å; Y239-F572 HydrophobicContact CE2-CD2 3.68Å; Y239-F572 HydrophobicContact CE2-CG 4.46Å; Y239-F572 AromaticContact CZ-CD2 3.99Å; Y239-F572 CarbonylContact O-C 3.44Å; Y239-F572 WeakPolarHBondContact O-CA 3.36Å; Y239-L573 PolarHBondContact O-N 2.94Å
240	S	98.8	Very high	96.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	-179.4	164.1	-161.9	0	0	0	0	108.5	I208 M209 D210 L573 R575	I208-S240 PolarHBondContact O-N 3.02Å; M209-S240 WeakPolarHBondContact CA-O 3.4Å; D210-S240 PolarHBondContact N-O 2.59Å; D210-S240 VanDerWaalsContact N-O 3.12Å; S240-L573 WeakPolarHBondContact CB-O 3.48Å; S240-L573 PolarHBondContact OG-O 3.26Å; S240-R575 WeakPolarHBondContact OG-CD 3.33Å; S240-R575 PolarHBondContact OG-NH1 3.05Å; S240-R575 VanDerWaalsContact OG-NH1 3.07Å
241	L	98.9	Very high	96.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	141.8	-170.8	-67.3	175.6	0	0	0	111.6	F193 D210 V212 F224 W227 Q228 Y239 I265 F572 R575	F193-L241 HydrophobicContact CZ-CD2 4.38Å; D210-L241 HydrophobicContact CB-CD2 3.85Å; D210-L241 CarbonylContact O-C 3.57Å; D210-L241 WeakPolarHBondContact O-CA 3.48Å; V212-L241 HydrophobicContact CG2-CB 3.94Å; V212-L241 HydrophobicContact CG2-CD1 3.95Å; V212-L241 HydrophobicContact CG2-CD2 4.11Å; V212-L241 HydrophobicContact CG2-CG 4.21Å; F224-L241 HydrophobicContact CD2-CB 4.44Å; F224-L241 HydrophobicContact CD2-CD1 3.78Å; F224-L241 HydrophobicContact CE2-CB 4.39Å; F224-L241 HydrophobicContact CE2-CD1 3.66Å; W227-L241 HydrophobicContact CB-CD1 3.99Å; W227-L241 HydrophobicContact CB-CD2 4.44Å; Q228-L241 HydrophobicContact CB-CD1 4.28Å; Y239-L241 HydrophobicContact CD2-CD2 4.29Å; Y239-L241 HydrophobicContact CD2-CG 4.29Å; Y239-L241 HydrophobicContact CE2-CD1 4.29Å; Y239-L241 HydrophobicContact CE2-CD2 4.35Å; Y239-L241 HydrophobicContact CE2-CG 4.12Å; L241-I265 HydrophobicContact CB-CD1 4.13Å; L241-I265 WeakPolarHBondContact O-CD1 3.38Å; L241-F572 HydrophobicContact CB-CE2 4.43Å; L241-F572 HydrophobicContact CD1-CE2 4.39Å; L241-F572 HydrophobicContact CG-CE2 4.27Å; L241-R575 VanDerWaalsContact O-CZ 3.28Å; L241-R575 PolarHBondContact O-NH1 3Å; L241-R575 PolarHBondContact O-NH2 3.17Å
242	H	98.8	Very high	95.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	146.7	161.1	-62.3	-48.6	0	0	0	107.9	V176 M209 D210 H211 V212 S267 F496	V176-H242 PolarHBondContact O-CD2 2.81Å; V176-H242 PolarHBondContact O-NE2 3.12Å; V176-H242 VanDerWaalsContact O-NE2 3.12Å; M209-H242 WeakPolarHBondContact CB-NE2 3.44Å; D210-H242 PolarHBondContact O-N 2.83Å; H211-H242 AromaticContact NE2-CD2 3.93Å; V212-H242 WeakPolarHBondContact CB-O 3.41Å; V212-H242 WeakPolarHBondContact CG2-O 3.41Å; V212-H242 PolarHBondContact N-O 3.15Å; H242-S267 PolarHBondContact CE1-OG 2.93Å; H242-S267 WeakPolarHBondContact ND1-CB 3.38Å; H242-S267 PolarHBondContact ND1-OG 3.47Å; H242-F496 AromaticContact CE1-CD1 3.83Å; H242-F496 AromaticContact CE1-CE1 3.5Å; H242-F496 VanDerWaalsContact CE1-CE1 3.5Å; H242-F496 WeakPolarHBondContact CE1-CE1 3.46Å; H242-F496 AromaticContact CE1-CZ 3.76Å
243	V	98.8	Very high	95.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	120.5	176.6	176.9	0	0	0	0	110	V212 L220 F224 L259 I265 S267 F268 Q269	V212-V243 HydrophobicContact CB-CG2 4.19Å; V212-V243 HydrophobicContact CG2-CG2 4.16Å; L220-V243 HydrophobicContact CB-CG1 4.15Å; L220-V243 HydrophobicContact CD1-CG1 4.28Å; L220-V243 HydrophobicContact CD2-CG1 4.47Å; F224-V243 HydrophobicContact CB-CG2 4.37Å; F224-V243 HydrophobicContact CD2-CG2 4.39Å; V243-L259 HydrophobicContact CG1-CD1 4.07Å; V243-L259 HydrophobicContact CG2-CD1 4.35Å; V243-L259 HydrophobicContact CG2-CD2 4.43Å; V243-I265 HydrophobicContact CB-CG2 4.4Å; V243-I265 HydrophobicContact CG2-CG1 4.42Å; V243-I265 HydrophobicContact CG2-CG2 3.99Å; V243-S267 PolarHBondContact N-O 3.19Å; V243-F268 HydrophobicContact CB-CD1 3.82Å; V243-F268 HydrophobicContact CB-CE1 4.04Å; V243-F268 HydrophobicContact CG1-CD1 4.34Å; V243-F268 WeakPolarHBondContact O-CA 3.1Å; V243-Q269 PolarHBondContact O-N 2.86Å; V243-Q269 VanDerWaalsContact O-N 3.09Å
244	D	98.5	Very high	95.6	Very high	5 Å²	5	32.4 Å²	32.4	3%	0.027	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	138.5	179.7	-65.5	7.3	0	0	0	110.1	H211 V212 P214 P246 Q269 Y271	H211-D244 IonicContact CE1-OD1 2.75Å; H211-D244 IonicContact CG-OD1 2.65Å; H211-D244 IonicContact ND1-OD1 3.53Å; H211-D244 PolarHBondContact ND1-OD1 2.65Å; H211-D244 IonicContact ND1-OD2 2.92Å; V212-D244 VanDerWaalsContact O-CB 3.28Å; V212-D244 WeakPolarHBondContact O-CB 3.3Å; V212-D244 PolarHBondContact O-N 2.93Å; P214-D244 WeakPolarHBondContact CG-O 3.19Å; D244-P246 VanDerWaalsContact O-CD 3.25Å; D244-P246 WeakPolarHBondContact O-CD 3.44Å; D244-Q269 HydrophobicContact CB-CB 4.32Å; D244-Q269 WeakPolarHBondContact OD1-CB 3.39Å; D244-Y271 HydrophobicContact CB-CE2 4.11Å; D244-Y271 PolarHBondContact OD2-OH 3.44Å
245	I	98.1	Very high	95.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.156	C	C	.	.			trans	-107.4	97.4	-179.6	-57.2	173.3	0	0	0	107.6	L220 Q247 W248 L256 F268 Q269 L270 M280 L292	L220-I245 HydrophobicContact CD1-CG1 4.28Å; I245-Q247 VanDerWaalsContact C-N 3.34Å; I245-Q247 WeakPolarHBondContact CG2-O 3.42Å; I245-Q247 PolarHBondContact O-N 3.1Å; I245-W248 HydrophobicContact CG2-CE3 4.39Å; I245-L256 HydrophobicContact CD1-CD1 3.88Å; I245-L256 HydrophobicContact CD1-CD2 3.68Å; I245-L256 HydrophobicContact CD1-CG 4.43Å; I245-L256 HydrophobicContact CG1-CD2 4.1Å; I245-F268 HydrophobicContact CD1-CB 3.81Å; I245-F268 HydrophobicContact CD1-CD1 4.38Å; I245-F268 HydrophobicContact CD1-CG 4.3Å; I245-F268 HydrophobicContact CG1-CB 4.34Å; I245-Q269 PolarHBondContact N-O 3.32Å; I245-L270 HydrophobicContact CB-CD2 3.89Å; I245-L270 HydrophobicContact CD1-CD2 3.71Å; I245-L270 HydrophobicContact CG1-CD2 4.22Å; I245-L270 HydrophobicContact CG2-CD2 4.47Å; I245-M280 HydrophobicContact CB-CE 4.03Å; I245-M280 HydrophobicContact CG2-CE 3.6Å; I245-M280 WeakPolarHBondContact O-CE 3.37Å; I245-L292 HydrophobicContact CD1-CD1 4.16Å; I245-L292 HydrophobicContact CD1-CD2 4.4Å
246	P	95	Very high	95.5	Very high	9 Å²	9	31.1 Å²	31.1	6%	0.058	16%	0.156	C	C	.	.	S	Bend	trans	-72.7	-26	-176.4	28	-35.7	0	0	0	112.8	P214 P216 D244 Y278	P214-P246 HydrophobicContact CB-CG 4.49Å; P214-P246 HydrophobicContact CG-CG 4.25Å; P216-P246 HydrophobicContact CG-CB 4.23Å; D244-P246 VanDerWaalsContact O-CD 3.25Å; D244-P246 WeakPolarHBondContact O-CD 3.44Å; P246-Y278 HydrophobicContact CB-CD1 3.56Å; P246-Y278 HydrophobicContact CB-CE1 3.87Å; P246-Y278 WeakPolarHBondContact O-CA 3.38Å
247	Q	93.6	Very high	95.5	Very high	96 Å²	96	34.8 Å²	34.8	45%	0.449	17%	0.173	S	C	.	.	S	Bend	trans	-145.2	144	176.3	-69.7	-170.6	-15	0	0	111.2	P216 I245	P216-Q247 HydrophobicContact CB-CG 4.04Å; I245-Q247 VanDerWaalsContact C-N 3.34Å; I245-Q247 WeakPolarHBondContact CG2-O 3.42Å; I245-Q247 PolarHBondContact O-N 3.1Å
248	W	93.9	Very high	95.4	Very high	13 Å²	13	37.7 Å²	37.7	5%	0.049	19%	0.188	C	C	.	.			trans	-103	124.3	175.4	-174.7	-100.8	0	0	0	111.4	I245 V252 K253 L256 M280 Q284 E287 A288 F291	I245-W248 HydrophobicContact CG2-CE3 4.39Å; W248-V252 HydrophobicContact CE3-CG1 3.89Å; W248-V252 HydrophobicContact CH2-CG1 4.49Å; W248-V252 HydrophobicContact CZ3-CG1 3.87Å; W248-K253 HydrophobicContact CH2-CG 4.2Å; W248-K253 HydrophobicContact CZ2-CG 4.4Å; W248-L256 HydrophobicContact CH2-CD1 4.31Å; W248-L256 HydrophobicContact CZ3-CD1 3.72Å; W248-M280 HydrophobicContact CB-CE 3.96Å; W248-M280 HydrophobicContact CB-SD 3.99Å; W248-Q284 HydrophobicContact CB-CB 3.97Å; W248-Q284 HydrophobicContact CB-CG 4.17Å; W248-Q284 HydrophobicContact CG-CB 4.19Å; W248-Q284 HydrophobicContact CG-CG 4.46Å; W248-Q284 PolarHBondContact O-NE2 3.35Å; W248-E287 HydrophobicContact CZ2-CB 4.36Å; W248-E287 PolarHBondContact NE1-OE2 2.84Å; W248-E287 VanDerWaalsContact NE1-OE2 3.17Å; W248-A288 HydrophobicContact CD2-CB 3.74Å; W248-A288 HydrophobicContact CE3-CB 3.57Å; W248-A288 HydrophobicContact CG-CB 4.42Å; W248-A288 HydrophobicContact CH2-CB 4.14Å; W248-A288 HydrophobicContact CZ2-CB 4.25Å; W248-A288 HydrophobicContact CZ3-CB 3.78Å; W248-F291 HydrophobicContact CH2-CB 3.74Å; W248-F291 AromaticContact CH2-CD1 3.76Å; W248-F291 HydrophobicContact CH2-CD1 3.76Å; W248-F291 AromaticContact CH2-CG 3.98Å; W248-F291 HydrophobicContact CH2-CG 3.98Å; W248-F291 HydrophobicContact CZ2-CB 4.05Å
249	N	88.1	Confident	95.4	Very high	68 Å²	68	37.7 Å²	37.7	36%	0.364	19%	0.188	S	C	.	.			trans	-152.5	177.9	175.1	61.8	58	0	0	0	109.7	N251 V252	N249-N251 WeakPolarHBondContact OD1-CA 3.49Å; N249-N251 WeakPolarHBondContact OD1-CB 3.44Å; N249-N251 PolarHBondContact OD1-N 3.22Å; N249-V252 WeakPolarHBondContact O-CG1 3.39Å; N249-V252 PolarHBondContact OD1-N 3.21Å
250	E	85.4	Confident	95.3	Very high	118 Å²	118	37.8 Å²	37.8	55%	0.551	19%	0.189	S	C	*	.	S	Bend	trans	-69.3	-35.9	179.7	-69.6	-62.6	125.4	0	0	113.2	V252 K253	E250-V252 VanDerWaalsContact C-N 3.28Å; E250-V252 PolarHBondContact O-N 2.79Å; E250-K253 WeakPolarHBondContact O-CB 3.35Å; E250-K253 WeakPolarHBondContact O-CG 3.33Å; E250-K253 PolarHBondContact O-N 2.9Å; E250-K253 WeakPolarHBondContact OE1-CE 3.45Å; E250-K253 IonicContact OE1-NZ 2.67Å; E250-K253 PolarHBondContact OE1-NZ 3.34Å; E250-K253 IonicContact OE2-NZ 3.75Å; E250-K253 PolarHBondContact OE2-NZ 2.89Å
251	N	85.1	Confident	95.1	Very high	130 Å²	130	44 Å²	44	70%	0.695	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-30.2	-174.5	-56.9	-4.9	0	0	0	112.7	N249 K253	N249-N251 WeakPolarHBondContact OD1-CA 3.49Å; N249-N251 WeakPolarHBondContact OD1-CB 3.44Å; N249-N251 PolarHBondContact OD1-N 3.22Å; N251-K253 PolarHBondContact O-N 2.89Å
252	V	93.7	Very high	95	Very high	10 Å²	10	49.8 Å²	49.8	6%	0.061	25%	0.249	C	C	.	.	H	α-helix	trans	-65.8	-19.7	-179	85.6	0	0	0	0	112.9	L220 W248 N249 E250 D254 E255 L256	L220-V252 HydrophobicContact CD1-CG2 3.37Å; L220-V252 HydrophobicContact CG-CG2 3.87Å; W248-V252 HydrophobicContact CE3-CG1 3.89Å; W248-V252 HydrophobicContact CH2-CG1 4.49Å; W248-V252 HydrophobicContact CZ3-CG1 3.87Å; N249-V252 WeakPolarHBondContact O-CG1 3.39Å; N249-V252 PolarHBondContact OD1-N 3.21Å; E250-V252 VanDerWaalsContact C-N 3.28Å; E250-V252 PolarHBondContact O-N 2.79Å; V252-D254 PolarHBondContact O-N 3.07Å; V252-E255 PolarHBondContact O-N 3.23Å; V252-L256 HydrophobicContact CG1-CD1 3.96Å; V252-L256 HydrophobicContact CG2-CD1 4.43Å; V252-L256 HydrophobicContact CG2-CG 4.45Å; V252-L256 VanDerWaalsContact O-CG 3.22Å; V252-L256 WeakPolarHBondContact O-CG 3.36Å; V252-L256 PolarHBondContact O-N 3.05Å
253	K	95.3	Very high	94.9	Very high	39 Å²	39	52.4 Å²	52.4	17%	0.17	26%	0.261	C	S	.	.	H	α-helix	trans	-63.9	-42.5	-175.1	-69.2	-179.8	-174.9	172.1	0	113	W248 E250 N251 E255 L256 E257 F291	W248-K253 HydrophobicContact CH2-CG 4.2Å; W248-K253 HydrophobicContact CZ2-CG 4.4Å; E250-K253 WeakPolarHBondContact O-CB 3.35Å; E250-K253 WeakPolarHBondContact O-CG 3.33Å; E250-K253 PolarHBondContact O-N 2.9Å; E250-K253 WeakPolarHBondContact OE1-CE 3.45Å; E250-K253 IonicContact OE1-NZ 2.67Å; E250-K253 PolarHBondContact OE1-NZ 3.34Å; E250-K253 IonicContact OE2-NZ 3.75Å; E250-K253 PolarHBondContact OE2-NZ 2.89Å; N251-K253 PolarHBondContact O-N 2.89Å; K253-E255 PolarHBondContact O-N 2.81Å; K253-L256 PolarHBondContact O-N 3.06Å; K253-E257 PolarHBondContact O-N 3.21Å; K253-F291 HydrophobicContact CB-CE1 3.81Å; K253-F291 HydrophobicContact CB-CE2 3.93Å; K253-F291 HydrophobicContact CB-CZ 3.46Å; K253-F291 VanDerWaalsContact CB-CZ 3.46Å; K253-F291 HydrophobicContact CD-CD2 4.02Å; K253-F291 HydrophobicContact CD-CE2 3.96Å; K253-F291 HydrophobicContact CD-CG 4.43Å; K253-F291 HydrophobicContact CD-CZ 4.3Å; K253-F291 HydrophobicContact CG-CD1 4.12Å; K253-F291 HydrophobicContact CG-CD2 4.19Å; K253-F291 HydrophobicContact CG-CE1 3.88Å; K253-F291 HydrophobicContact CG-CE2 3.98Å; K253-F291 HydrophobicContact CG-CG 4.26Å; K253-F291 HydrophobicContact CG-CZ 3.81Å
254	D	94.8	Very high	94.8	Very high	120 Å²	120	52.9 Å²	52.9	64%	0.642	27%	0.266	S	S	*	.	H	α-helix	trans	-65.2	-40.6	-179.3	-62.6	-6.6	0	0	0	110.9	V252 E257 L258	V252-D254 PolarHBondContact O-N 3.07Å; D254-E257 PolarHBondContact O-N 2.78Å; D254-L258 PolarHBondContact O-N 2.76Å; D254-L258 VanDerWaalsContact O-N 3.07Å
255	E	96.8	Very high	94.8	Very high	46 Å²	46	52.7 Å²	52.7	22%	0.215	26%	0.264	C	S	.	.	H	α-helix	trans	-66.1	-39.7	174.8	-66	-168	-114.9	0	0	112.2	S219 L220 L221 V252 K253 L258 L259	S219-E255 WeakPolarHBondContact CB-OE2 3.43Å; S219-E255 PolarHBondContact OG-OE2 3.06Å; L220-E255 HydrophobicContact CB-CB 4.42Å; L220-E255 PolarHBondContact N-OE2 3.06Å; L221-E255 PolarHBondContact N-OE2 3.34Å; V252-E255 PolarHBondContact O-N 3.23Å; K253-E255 PolarHBondContact O-N 2.81Å; E255-L258 PolarHBondContact O-N 3.05Å; E255-L259 WeakPolarHBondContact O-CB 3.38Å; E255-L259 WeakPolarHBondContact O-CD1 3.25Å; E255-L259 WeakPolarHBondContact O-CG 3.48Å; E255-L259 PolarHBondContact O-N 2.79Å
256	L	97.9	Very high	94.8	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-65.9	-37	176.1	-69.2	171	0	0	0	112.3	L220 I245 W248 V252 K253 A260 F268 F291 L292 L295	L220-L256 HydrophobicContact CD1-CD2 3.66Å; L220-L256 HydrophobicContact CD1-CG 4.09Å; I245-L256 HydrophobicContact CD1-CD1 3.88Å; I245-L256 HydrophobicContact CD1-CD2 3.68Å; I245-L256 HydrophobicContact CD1-CG 4.43Å; I245-L256 HydrophobicContact CG1-CD2 4.1Å; W248-L256 HydrophobicContact CH2-CD1 4.31Å; W248-L256 HydrophobicContact CZ3-CD1 3.72Å; V252-L256 HydrophobicContact CG1-CD1 3.96Å; V252-L256 HydrophobicContact CG2-CD1 4.43Å; V252-L256 HydrophobicContact CG2-CG 4.45Å; V252-L256 VanDerWaalsContact O-CG 3.22Å; V252-L256 WeakPolarHBondContact O-CG 3.36Å; V252-L256 PolarHBondContact O-N 3.05Å; K253-L256 PolarHBondContact O-N 3.06Å; L256-A260 VanDerWaalsContact O-CB 3.3Å; L256-A260 WeakPolarHBondContact O-CB 3.35Å; L256-A260 PolarHBondContact O-N 2.85Å; L256-F268 HydrophobicContact CD2-CD1 3.36Å; L256-F268 HydrophobicContact CD2-CE1 3.3Å; L256-F268 HydrophobicContact CD2-CG 4.04Å; L256-F268 HydrophobicContact CD2-CZ 3.92Å; L256-F291 HydrophobicContact CB-CE1 4.01Å; L256-F291 HydrophobicContact CD1-CD1 4.28Å; L256-F291 HydrophobicContact CD1-CE1 4.18Å; L256-L292 HydrophobicContact CD1-CD2 4.09Å; L256-L292 HydrophobicContact CD2-CD2 4.44Å; L256-L295 HydrophobicContact CB-CD1 3.98Å
257	E	97	Very high	95	Very high	76 Å²	76	52.2 Å²	52.2	36%	0.355	26%	0.262	S	S	.	.	H	α-helix	trans	-62.1	-48.3	172.3	-86.8	-179.6	-158.7	0	0	111.6	K253 D254 A260 Q261 F291 L295	K253-E257 PolarHBondContact O-N 3.21Å; D254-E257 PolarHBondContact O-N 2.78Å; E257-A260 PolarHBondContact O-N 2.93Å; E257-Q261 WeakPolarHBondContact O-CB 3.31Å; E257-Q261 VanDerWaalsContact O-CG 3.31Å; E257-Q261 WeakPolarHBondContact O-CG 3.47Å; E257-Q261 PolarHBondContact O-N 2.81Å; E257-F291 HydrophobicContact CG-CZ 3.95Å; E257-L295 HydrophobicContact CG-CD1 4.39Å; E257-L295 HydrophobicContact CG-CD2 3.47Å; E257-L295 VanDerWaalsContact CG-CD2 3.47Å
258	L	97.1	Very high	95.3	Very high	61 Å²	61	47.7 Å²	47.7	32%	0.319	24%	0.24	S	C	.	.	H	α-helix	trans	-62.5	-43.1	177.8	-173.2	70.2	0	0	0	112.2	L221 D254 E255 A260 D262 K263	L221-L258 HydrophobicContact CD1-CD2 3.69Å; L221-L258 HydrophobicContact CD1-CG 4.3Å; L221-L258 HydrophobicContact CD2-CD2 3.5Å; L221-L258 VanDerWaalsContact CD2-CD2 3.5Å; L221-L258 HydrophobicContact CG-CD2 4.18Å; D254-L258 PolarHBondContact O-N 2.76Å; D254-L258 VanDerWaalsContact O-N 3.07Å; E255-L258 PolarHBondContact O-N 3.05Å; L258-A260 VanDerWaalsContact C-N 3.33Å; L258-A260 PolarHBondContact O-N 2.9Å; L258-D262 HydrophobicContact CD1-CB 3.98Å; L258-D262 VanDerWaalsContact CD1-OD2 3.29Å; L258-D262 WeakPolarHBondContact CD1-OD2 3.37Å; L258-D262 WeakPolarHBondContact O-CB 3.3Å; L258-D262 PolarHBondContact O-N 3.41Å; L258-K263 PolarHBondContact O-N 3.14Å
259	L	98.3	Very high	95.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61	-41.6	175.8	-75.5	166.3	0	0	0	111.6	L220 L221 F224 V243 E255 K263 G264 I265 F268	L220-L259 HydrophobicContact CB-CD1 3.78Å; L220-L259 HydrophobicContact CD1-CD1 4.46Å; L221-L259 HydrophobicContact CD1-CD2 4.2Å; F224-L259 HydrophobicContact CB-CD2 3.66Å; F224-L259 HydrophobicContact CD1-CD2 3.91Å; F224-L259 HydrophobicContact CD2-CD2 4.2Å; F224-L259 HydrophobicContact CG-CD2 3.61Å; V243-L259 HydrophobicContact CG1-CD1 4.07Å; V243-L259 HydrophobicContact CG2-CD1 4.35Å; V243-L259 HydrophobicContact CG2-CD2 4.43Å; E255-L259 WeakPolarHBondContact O-CB 3.38Å; E255-L259 WeakPolarHBondContact O-CD1 3.25Å; E255-L259 WeakPolarHBondContact O-CG 3.48Å; E255-L259 PolarHBondContact O-N 2.79Å; L259-K263 HydrophobicContact CD2-CB 4.25Å; L259-K263 HydrophobicContact CD2-CG 4.15Å; L259-K263 CarbonylContact O-C 3.57Å; L259-G264 PolarHBondContact O-N 3.04Å; L259-G264 VanDerWaalsContact O-N 3.12Å; L259-I265 HydrophobicContact CB-CB 4.25Å; L259-I265 HydrophobicContact CB-CG1 4.5Å; L259-I265 HydrophobicContact CD2-CG1 4.34Å; L259-I265 WeakPolarHBondContact O-CB 3.5Å; L259-I265 PolarHBondContact O-N 2.58Å; L259-F268 HydrophobicContact CB-CE1 4.12Å; L259-F268 HydrophobicContact CB-CZ 4.15Å; L259-F268 HydrophobicContact CD1-CE1 4.17Å
260	A	97.6	Very high	96	Very high	3 Å²	3	44 Å²	44	3%	0.025	22%	0.222	C	C	.	.	H	α-helix	trans	-75.2	-39.1	-179	0	0	0	0	0	114	L256 E257 L258 I265 F268 L295 P577	L256-A260 VanDerWaalsContact O-CB 3.3Å; L256-A260 WeakPolarHBondContact O-CB 3.35Å; L256-A260 PolarHBondContact O-N 2.85Å; E257-A260 PolarHBondContact O-N 2.93Å; L258-A260 VanDerWaalsContact C-N 3.33Å; L258-A260 PolarHBondContact O-N 2.9Å; A260-I265 VanDerWaalsContact CA-O 3.31Å; A260-I265 WeakPolarHBondContact CA-O 3.46Å; A260-F268 HydrophobicContact CB-CZ 4.45Å; A260-L295 HydrophobicContact CB-CB 4.39Å; A260-L295 HydrophobicContact CB-CD1 4.26Å; A260-P577 HydrophobicContact CB-CG 4.32Å; A260-P577 WeakPolarHBondContact O-CG 3.4Å
261	Q	94.8	Very high	96.6	Very high	131 Å²	131	39.2 Å²	39.2	61%	0.612	20%	0.198	S	C	*	.	H	α-helix	trans	-85.9	-48.3	-174.9	-64.8	179.9	54.8	0	0	112.1	E257	E257-Q261 WeakPolarHBondContact O-CB 3.31Å; E257-Q261 VanDerWaalsContact O-CG 3.31Å; E257-Q261 WeakPolarHBondContact O-CG 3.47Å; E257-Q261 PolarHBondContact O-N 2.81Å
262	D	96.1	Very high	97.3	Very high	121 Å²	121	33 Å²	33	65%	0.647	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104	-33.7	-167	-69.1	3.9	0	0	0	112.9	L258	L258-D262 HydrophobicContact CD1-CB 3.98Å; L258-D262 VanDerWaalsContact CD1-OD2 3.29Å; L258-D262 WeakPolarHBondContact CD1-OD2 3.37Å; L258-D262 WeakPolarHBondContact O-CB 3.3Å; L258-D262 PolarHBondContact O-N 3.41Å
263	K	97.7	Very high	97.4	Very high	55 Å²	55	32.6 Å²	32.6	24%	0.239	16%	0.163	C	C	.	.	S	Bend	trans	-92.5	-9.7	178.1	-52.6	-58.2	-162.7	166.5	0	114	L221 F224 E225 L258 L259 I265 F572	L221-K263 HydrophobicContact CD1-CD 4.49Å; L221-K263 HydrophobicContact CD1-CG 4.1Å; F224-K263 HydrophobicContact CD1-CB 4.28Å; F224-K263 HydrophobicContact CD1-CD 4.34Å; F224-K263 HydrophobicContact CD1-CG 4.05Å; F224-K263 HydrophobicContact CE1-CB 3.71Å; F224-K263 HydrophobicContact CE1-CD 3.73Å; F224-K263 HydrophobicContact CE1-CG 3.71Å; F224-K263 HydrophobicContact CZ-CB 3.84Å; F224-K263 HydrophobicContact CZ-CG 4.37Å; E225-K263 WeakPolarHBondContact OE1-CE 3.47Å; E225-K263 IonicContact OE1-NZ 3.41Å; E225-K263 PolarHBondContact OE1-NZ 3.31Å; L258-K263 PolarHBondContact O-N 3.14Å; L259-K263 HydrophobicContact CD2-CB 4.25Å; L259-K263 HydrophobicContact CD2-CG 4.15Å; L259-K263 CarbonylContact O-C 3.57Å; K263-I265 HydrophobicContact CB-CG1 4.39Å; K263-F572 WeakPolarHBondContact O-CE1 3.34Å; K263-F572 WeakPolarHBondContact O-CZ 3.46Å
264	G	97.1	Very high	97.5	Very high	10 Å²	10	32.8 Å²	32.8	10%	0.103	16%	0.163	C	C	.	.			trans	73	36.3	177.4	0	0	0	0	0	114.4	L259 R575	L259-G264 PolarHBondContact O-N 3.04Å; L259-G264 VanDerWaalsContact O-N 3.12Å; G264-R575 CarbonylContact C-O 3.58Å; G264-R575 PolarHBondContact O-N 2.87Å
265	I	98.5	Very high	97.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.148	C	C	.	.			trans	-100	100.3	176.6	-56.8	-58.2	0	0	0	110.6	F224 L241 V243 L259 A260 K263 S267 F268 F572	F224-I265 HydrophobicContact CD2-CD1 4.07Å; F224-I265 HydrophobicContact CD2-CG1 4.1Å; F224-I265 HydrophobicContact CE2-CD1 3.69Å; F224-I265 HydrophobicContact CE2-CG1 3.98Å; L241-I265 HydrophobicContact CB-CD1 4.13Å; L241-I265 WeakPolarHBondContact O-CD1 3.38Å; V243-I265 HydrophobicContact CB-CG2 4.4Å; V243-I265 HydrophobicContact CG2-CG1 4.42Å; V243-I265 HydrophobicContact CG2-CG2 3.99Å; L259-I265 HydrophobicContact CB-CB 4.25Å; L259-I265 HydrophobicContact CB-CG1 4.5Å; L259-I265 HydrophobicContact CD2-CG1 4.34Å; L259-I265 WeakPolarHBondContact O-CB 3.5Å; L259-I265 PolarHBondContact O-N 2.58Å; A260-I265 VanDerWaalsContact CA-O 3.31Å; A260-I265 WeakPolarHBondContact CA-O 3.46Å; K263-I265 HydrophobicContact CB-CG1 4.39Å; I265-S267 WeakPolarHBondContact CG2-O 3.42Å; I265-F268 HydrophobicContact CB-CZ 4.29Å; I265-F268 HydrophobicContact CG2-CD1 4.34Å; I265-F268 HydrophobicContact CG2-CE1 3.75Å; I265-F268 HydrophobicContact CG2-CE2 4.4Å; I265-F268 HydrophobicContact CG2-CZ 3.8Å; I265-F268 WeakPolarHBondContact O-CE2 3.14Å; I265-F268 WeakPolarHBondContact O-CZ 3.41Å; I265-F572 HydrophobicContact CD1-CE2 4.4Å; I265-F572 HydrophobicContact CD1-CZ 4.04Å
266	N	98	Very high	97.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.177	C	C	.	.			trans	-93.3	17.8	175.7	69.8	-2.1	0	0	0	114.8	A297 V298 F496 R575 K576 P577	N266-A297 CarbonylContact O-C 3.11Å; N266-A297 VanDerWaalsContact O-CA 3.27Å; N266-A297 WeakPolarHBondContact O-CA 3.41Å; N266-V298 PolarHBondContact O-N 2.89Å; N266-F496 PolarHBondContact ND2-O 2.75Å; N266-R575 HydrophobicContact CB-CB 4.46Å; N266-R575 WeakPolarHBondContact ND2-CB 3.36Å; N266-R575 WeakPolarHBondContact OD1-CB 3.39Å; N266-R575 PolarHBondContact OD1-NE 2.91Å; N266-R575 PolarHBondContact OD1-NH2 2.94Å; N266-K576 PolarHBondContact ND2-O 2.91Å; N266-P577 HydrophobicContact CB-CB 4.5Å
267	S	98.8	Very high	97.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	132.9	-175.5	21.8	0	0	0	0	113.3	H242 V243 I265 V298 L300 R575	H242-S267 PolarHBondContact CE1-OG 2.93Å; H242-S267 WeakPolarHBondContact ND1-CB 3.38Å; H242-S267 PolarHBondContact ND1-OG 3.47Å; V243-S267 PolarHBondContact N-O 3.19Å; I265-S267 WeakPolarHBondContact CG2-O 3.42Å; S267-V298 VanDerWaalsContact CA-O 3.3Å; S267-V298 WeakPolarHBondContact CA-O 3.25Å; S267-L300 VanDerWaalsContact CB-CD1 3.48Å; S267-R575 PolarHBondContact OG-NH2 3.49Å
268	F	98.8	Very high	97.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	138.9	-174.2	-56.4	-86.4	0	0	0	111.1	V243 I245 L256 L259 A260 I265 L292 A297 V298 L300	V243-F268 HydrophobicContact CB-CD1 3.82Å; V243-F268 HydrophobicContact CB-CE1 4.04Å; V243-F268 HydrophobicContact CG1-CD1 4.34Å; V243-F268 WeakPolarHBondContact O-CA 3.1Å; I245-F268 HydrophobicContact CD1-CB 3.81Å; I245-F268 HydrophobicContact CD1-CD1 4.38Å; I245-F268 HydrophobicContact CD1-CG 4.3Å; I245-F268 HydrophobicContact CG1-CB 4.34Å; L256-F268 HydrophobicContact CD2-CD1 3.36Å; L256-F268 HydrophobicContact CD2-CE1 3.3Å; L256-F268 HydrophobicContact CD2-CG 4.04Å; L256-F268 HydrophobicContact CD2-CZ 3.92Å; L259-F268 HydrophobicContact CB-CE1 4.12Å; L259-F268 HydrophobicContact CB-CZ 4.15Å; L259-F268 HydrophobicContact CD1-CE1 4.17Å; A260-F268 HydrophobicContact CB-CZ 4.45Å; I265-F268 HydrophobicContact CB-CZ 4.29Å; I265-F268 HydrophobicContact CG2-CD1 4.34Å; I265-F268 HydrophobicContact CG2-CE1 3.75Å; I265-F268 HydrophobicContact CG2-CE2 4.4Å; I265-F268 HydrophobicContact CG2-CZ 3.8Å; I265-F268 WeakPolarHBondContact O-CE2 3.14Å; I265-F268 WeakPolarHBondContact O-CZ 3.41Å; F268-L292 HydrophobicContact CB-CD1 4.16Å; F268-L292 HydrophobicContact CB-CD2 4.26Å; F268-L292 HydrophobicContact CD2-CD2 3.57Å; F268-L292 HydrophobicContact CE2-CD2 4.09Å; F268-L292 HydrophobicContact CG-CD2 3.98Å; F268-A297 HydrophobicContact CD2-CB 3.67Å; F268-A297 HydrophobicContact CE2-CB 3.78Å; F268-V298 PolarHBondContact N-O 3.02Å; F268-L300 PolarHBondContact O-N 2.85Å
269	Q	98.7	Very high	97.1	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.019	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	130.6	-177.2	173.1	76.1	-52.4	0	0	111.3	V243 D244 I245 Y271 L300 V301 T357	V243-Q269 PolarHBondContact O-N 2.86Å; V243-Q269 VanDerWaalsContact O-N 3.09Å; D244-Q269 HydrophobicContact CB-CB 4.32Å; D244-Q269 WeakPolarHBondContact OD1-CB 3.39Å; I245-Q269 PolarHBondContact N-O 3.32Å; Q269-Y271 HydrophobicContact CG-CD2 4.49Å; Q269-Y271 HydrophobicContact CG-CE2 3.82Å; Q269-L300 HydrophobicContact CB-CB 4.16Å; Q269-L300 VanDerWaalsContact OE1-CB 3.22Å; Q269-L300 PolarHBondContact OE1-O 2.83Å; Q269-V301 VanDerWaalsContact OE1-C 3.22Å; Q269-V301 VanDerWaalsContact OE1-CA 3.24Å; Q269-T357 PolarHBondContact NE2-OG1 3.07Å; Q269-T357 VanDerWaalsContact NE2-OG1 3.09Å
270	L	98.7	Very high	97.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	155.2	171.6	-51.2	-168.8	0	0	0	111.1	I245 M280 L285 A288 F289 L292 V299 L300 V301 H302	I245-L270 HydrophobicContact CB-CD2 3.89Å; I245-L270 HydrophobicContact CD1-CD2 3.71Å; I245-L270 HydrophobicContact CG1-CD2 4.22Å; I245-L270 HydrophobicContact CG2-CD2 4.47Å; L270-M280 HydrophobicContact CB-SD 4.32Å; L270-M280 HydrophobicContact CD1-SD 4.22Å; L270-M280 HydrophobicContact CD2-CE 3.83Å; L270-M280 HydrophobicContact CD2-SD 4.07Å; L270-M280 HydrophobicContact CG-SD 4.45Å; L270-L285 HydrophobicContact CB-CD2 3.98Å; L270-L285 HydrophobicContact CD1-CD2 3.78Å; L270-A288 HydrophobicContact CD1-CB 3.57Å; L270-A288 HydrophobicContact CD2-CB 4.38Å; L270-F289 HydrophobicContact CD1-CD1 3.73Å; L270-F289 HydrophobicContact CD1-CE1 3.62Å; L270-L292 HydrophobicContact CD2-CD1 4.29Å; L270-V299 HydrophobicContact CD1-CG1 3.92Å; L270-V299 HydrophobicContact CG-CG1 3.88Å; L270-L300 PolarHBondContact N-O 2.88Å; L270-V301 WeakPolarHBondContact O-CA 3.42Å; L270-H302 PolarHBondContact O-N 2.86Å
271	Y	98.5	Very high	97.1	Very high	17 Å²	17	40 Å²	40	7%	0.067	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	130.1	-175.6	-72.4	-85	0	0	0	112.6	D244 Q269 Y274 Y278 M280 H302	D244-Y271 HydrophobicContact CB-CE2 4.11Å; D244-Y271 PolarHBondContact OD2-OH 3.44Å; Q269-Y271 HydrophobicContact CG-CD2 4.49Å; Q269-Y271 HydrophobicContact CG-CE2 3.82Å; Y271-Y274 AromaticContact CD1-CD2 3.61Å; Y271-Y274 HydrophobicContact CD1-CD2 3.61Å; Y271-Y274 AromaticContact CD1-CE2 3.72Å; Y271-Y274 HydrophobicContact CD1-CE2 3.72Å; Y271-Y274 HydrophobicContact CE1-CD2 4.01Å; Y271-Y274 AromaticContact CE1-CE2 3.72Å; Y271-Y274 HydrophobicContact CE1-CE2 3.72Å; Y271-Y274 HydrophobicContact CG-CD2 4.48Å; Y271-Y278 WeakPolarHBondContact CB-O 3.09Å; Y271-Y278 HydrophobicContact CD2-CG 4.47Å; Y271-M280 PolarHBondContact O-N 3.4Å; Y271-H302 HydrophobicContact CD1-CB 3.77Å; Y271-H302 AromaticContact CD1-CD2 3.63Å; Y271-H302 HydrophobicContact CE1-CB 3.83Å; Y271-H302 AromaticContact CE1-CD2 3.94Å
272	M	98.7	Very high	97.3	Very high	1 Å²	1	37 Å²	37	1%	0.005	19%	0.189	C	C	.	.	S	Bend	trans	-103.3	-13.3	168.4	-57.7	-178.3	68.3	0	0	112.4	Q279 L285 V301 H302 A303 E304 G306 A339 R342 A343	M272-Q279 WeakPolarHBondContact O-CG 3.08Å; M272-L285 HydrophobicContact CE-CD1 4.25Å; M272-L285 HydrophobicContact CG-CD1 3.95Å; M272-L285 HydrophobicContact SD-CD1 4.4Å; M272-V301 HydrophobicContact CG-CG1 3.9Å; M272-V301 HydrophobicContact SD-CG1 3.74Å; M272-H302 PolarHBondContact N-O 3.06Å; M272-A303 HydrophobicContact SD-CB 4.14Å; M272-E304 CarbonylContact C-O 3.56Å; M272-E304 VanDerWaalsContact CB-O 3.31Å; M272-E304 WeakPolarHBondContact CB-O 3.46Å; M272-G306 PolarHBondContact O-N 3.04Å; M272-A339 HydrophobicContact CB-CB 4.48Å; M272-A339 HydrophobicContact CE-CB 3.86Å; M272-A339 WeakPolarHBondContact CE-O 2.98Å; M272-A339 HydrophobicContact SD-CB 4.06Å; M272-R342 HydrophobicContact CE-CB 4.09Å; M272-R342 HydrophobicContact CE-CG 4.03Å; M272-A343 HydrophobicContact SD-CB 3.79Å
273	A	97.4	Very high	97.4	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.008	18%	0.182	C	C	.	.	S	Bend	trans	-103.7	-176.1	175.4	0	0	0	0	0	111.5	Q279 E304 I309	A273-Q279 VanDerWaalsContact O-CA 3.31Å; A273-Q279 WeakPolarHBondContact O-CA 3.43Å; A273-Q279 WeakPolarHBondContact O-CB 3.41Å; A273-Q279 PolarHBondContact O-N 3.39Å; A273-E304 HydrophobicContact CB-CB 4.02Å; A273-E304 PolarHBondContact N-O 3.16Å; A273-I309 HydrophobicContact CB-CD1 4.18Å
274	Y	96.3	Very high	97.4	Very high	42 Å²	42	34.3 Å²	34.3	17%	0.165	18%	0.183	C	C	.	.	S	Bend	trans	59.8	64.9	-176.2	-46.9	-74.9	0	0	0	112.2	Y271 L277 Y278 Q279 H302 E457	Y271-Y274 AromaticContact CD1-CD2 3.61Å; Y271-Y274 HydrophobicContact CD1-CD2 3.61Å; Y271-Y274 AromaticContact CD1-CE2 3.72Å; Y271-Y274 HydrophobicContact CD1-CE2 3.72Å; Y271-Y274 HydrophobicContact CE1-CD2 4.01Å; Y271-Y274 AromaticContact CE1-CE2 3.72Å; Y271-Y274 HydrophobicContact CE1-CE2 3.72Å; Y271-Y274 HydrophobicContact CG-CD2 4.48Å; Y274-L277 PolarHBondContact O-N 3.13Å; Y274-Y278 AromaticContact CD2-CD2 3.78Å; Y274-Y278 HydrophobicContact CD2-CD2 3.78Å; Y274-Y278 AromaticContact CG-CD2 3.81Å; Y274-Y278 HydrophobicContact CG-CD2 3.81Å; Y274-Y278 PolarHBondContact O-N 2.71Å; Y274-Q279 PolarHBondContact O-N 3.4Å; Y274-H302 AromaticContact CE2-CD2 3.52Å; Y274-H302 AromaticContact CE2-NE2 3.44Å; Y274-H302 WeakPolarHBondContact CE2-NE2 3.43Å; Y274-H302 AromaticContact CZ-NE2 3.89Å; Y274-E457 WeakPolarHBondContact CE1-OE2 3.35Å; Y274-E457 VanDerWaalsContact CZ-OE2 3.31Å; Y274-E457 PolarHBondContact OH-OE2 2.95Å
275	K	96.4	Very high	97.4	Very high	78 Å²	78	33.8 Å²	33.8	34%	0.339	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	140.7	177.7	178.2	158.5	-178.3	154.7	0	111.8	L277 D307 A310	K275-L277 PolarHBondContact O-N 3.21Å; K275-D307 IonicContact NZ-OD1 3.98Å; K275-D307 PolarHBondContact NZ-OD1 3.45Å; K275-A310 HydrophobicContact CB-CB 4.05Å; K275-A310 HydrophobicContact CD-CB 3.93Å; K275-A310 HydrophobicContact CG-CB 4.43Å
276	D	93.1	Very high	97.4	Very high	152 Å²	152	37.6 Å²	37.6	81%	0.813	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.5	0.8	-179.4	-50.5	-34.3	0	0	0	115.3
277	L	92.8	Very high	97.4	Very high	76 Å²	76	42 Å²	42	40%	0.398	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-60.7	178.3	-175.1	68.1	0	0	0	113	P216 Y274 K275	P216-L277 HydrophobicContact CG-CD1 3.99Å; P216-L277 WeakPolarHBondContact CG-O 3.49Å; Y274-L277 PolarHBondContact O-N 3.13Å; K275-L277 PolarHBondContact O-N 3.21Å
278	Y	96.1	Very high	97.4	Very high	33 Å²	33	42 Å²	42	13%	0.129	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.4	-18.4	-178.9	-51	-52.4	0	0	0	113.8	Q215 P216 P246 Y271 Y274 M280	Q215-Y278 PolarHBondContact NE2-OH 3.29Å; Q215-Y278 VanDerWaalsContact NE2-OH 3.07Å; P216-Y278 HydrophobicContact CG-CD1 4.32Å; P216-Y278 HydrophobicContact CG-CE1 4.17Å; P246-Y278 HydrophobicContact CB-CD1 3.56Å; P246-Y278 HydrophobicContact CB-CE1 3.87Å; P246-Y278 WeakPolarHBondContact O-CA 3.38Å; Y271-Y278 WeakPolarHBondContact CB-O 3.09Å; Y271-Y278 HydrophobicContact CD2-CG 4.47Å; Y274-Y278 AromaticContact CD2-CD2 3.78Å; Y274-Y278 HydrophobicContact CD2-CD2 3.78Å; Y274-Y278 AromaticContact CG-CD2 3.81Å; Y274-Y278 HydrophobicContact CG-CD2 3.81Å; Y274-Y278 PolarHBondContact O-N 2.71Å; Y278-M280 PolarHBondContact O-N 3.05Å
279	Q	97.8	Very high	97.4	Very high	40 Å²	40	42 Å²	42	19%	0.187	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-57.7	120.7	-174.1	-179.9	176.2	-8.5	0	0	112.1	M272 A273 Y274 D307	M272-Q279 WeakPolarHBondContact O-CG 3.08Å; A273-Q279 VanDerWaalsContact O-CA 3.31Å; A273-Q279 WeakPolarHBondContact O-CA 3.43Å; A273-Q279 WeakPolarHBondContact O-CB 3.41Å; A273-Q279 PolarHBondContact O-N 3.39Å; Y274-Q279 PolarHBondContact O-N 3.4Å; Q279-D307 PolarHBondContact NE2-OD2 2.89Å
280	M	97.6	Very high	97.3	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.015	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-88.4	143.6	170.6	-64.2	-168.2	-177.3	0	0	111.8	I245 W248 L270 Y271 Y278 Q284 L285	I245-M280 HydrophobicContact CB-CE 4.03Å; I245-M280 HydrophobicContact CG2-CE 3.6Å; I245-M280 WeakPolarHBondContact O-CE 3.37Å; W248-M280 HydrophobicContact CB-CE 3.96Å; W248-M280 HydrophobicContact CB-SD 3.99Å; L270-M280 HydrophobicContact CB-SD 4.32Å; L270-M280 HydrophobicContact CD1-SD 4.22Å; L270-M280 HydrophobicContact CD2-CE 3.83Å; L270-M280 HydrophobicContact CD2-SD 4.07Å; L270-M280 HydrophobicContact CG-SD 4.45Å; Y271-M280 PolarHBondContact O-N 3.4Å; Y278-M280 PolarHBondContact O-N 3.05Å; M280-Q284 HydrophobicContact CB-CB 4.16Å; M280-L285 HydrophobicContact CB-CD2 3.77Å; M280-L285 HydrophobicContact CB-CG 3.75Å; M280-L285 HydrophobicContact CG-CD2 4.43Å; M280-L285 HydrophobicContact SD-CD2 4.11Å
281	T	97.9	Very high	97.3	Very high	76 Å²	76	44.3 Å²	44.3	47%	0.466	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-72.1	157.6	167.8	62.3	0	0	0	0	111.4	A283 Q284 L285	T281-A283 PolarHBondContact O-N 3.1Å; T281-A283 VanDerWaalsContact O-N 3.11Å; T281-Q284 PolarHBondContact O-N 2.99Å; T281-Q284 WeakPolarHBondContact OG1-CG 3.46Å; T281-Q284 PolarHBondContact OG1-N 3.33Å; T281-Q284 PolarHBondContact OG1-OE1 2.92Å; T281-L285 WeakPolarHBondContact O-CG 3.43Å; T281-L285 PolarHBondContact O-N 3.09Å
282	D	98.4	Very high	97.3	Very high	69 Å²	69	43.5 Å²	43.5	37%	0.369	22%	0.224	S	C	.	.	H	α-helix	trans	-54.3	-31.7	175.5	-78.2	12.7	0	0	0	113.5	Y286 R342 L346	D282-Y286 VanDerWaalsContact O-CB 3.29Å; D282-Y286 WeakPolarHBondContact O-CB 3.23Å; D282-Y286 PolarHBondContact O-N 3.29Å; D282-R342 WeakPolarHBondContact OD1-CD 3.46Å; D282-R342 IonicContact OD1-CZ 3.72Å; D282-R342 IonicContact OD1-NE 2.85Å; D282-R342 IonicContact OD1-NH1 3.8Å; D282-R342 PolarHBondContact OD1-NH1 2.79Å; D282-R342 WeakPolarHBondContact OD2-CD 3.19Å; D282-L346 HydrophobicContact CB-CD1 4.35Å
283	A	97.9	Very high	97.2	Very high	61 Å²	61	45.3 Å²	45.3	50%	0.504	23%	0.232	S	C	.	.	H	α-helix	trans	-67.6	-49.2	175.3	0	0	0	0	0	111.6	T281 Y286 E287	T281-A283 PolarHBondContact O-N 3.1Å; T281-A283 VanDerWaalsContact O-N 3.11Å; A283-Y286 WeakPolarHBondContact O-CB 3.43Å; A283-Y286 PolarHBondContact O-N 2.92Å; A283-E287 WeakPolarHBondContact O-CG 3.2Å; A283-E287 PolarHBondContact O-N 3.37Å
284	Q	97.5	Very high	97.2	Very high	57 Å²	57	51.9 Å²	51.9	27%	0.266	26%	0.263	S	S	.	.	H	α-helix	trans	-62.5	-42.7	175.6	-71.9	165.3	-60.4	0	0	111.7	W248 M280 T281 Y286 E287 A288	W248-Q284 HydrophobicContact CB-CB 3.97Å; W248-Q284 HydrophobicContact CB-CG 4.17Å; W248-Q284 HydrophobicContact CG-CB 4.19Å; W248-Q284 HydrophobicContact CG-CG 4.46Å; W248-Q284 PolarHBondContact O-NE2 3.35Å; M280-Q284 HydrophobicContact CB-CB 4.16Å; T281-Q284 PolarHBondContact O-N 2.99Å; T281-Q284 WeakPolarHBondContact OG1-CG 3.46Å; T281-Q284 PolarHBondContact OG1-N 3.33Å; T281-Q284 PolarHBondContact OG1-OE1 2.92Å; Q284-Y286 VanDerWaalsContact C-N 3.32Å; Q284-Y286 PolarHBondContact O-N 3.12Å; Q284-E287 PolarHBondContact O-N 2.83Å; Q284-A288 VanDerWaalsContact O-CB 3.24Å; Q284-A288 WeakPolarHBondContact O-CB 3.49Å; Q284-A288 PolarHBondContact O-N 2.7Å
285	L	98.2	Very high	97.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-59.8	-41.8	174.4	-70.4	170.8	0	0	0	111.7	L270 M272 M280 T281 F289 L346	L270-L285 HydrophobicContact CB-CD2 3.98Å; L270-L285 HydrophobicContact CD1-CD2 3.78Å; M272-L285 HydrophobicContact CE-CD1 4.25Å; M272-L285 HydrophobicContact CG-CD1 3.95Å; M272-L285 HydrophobicContact SD-CD1 4.4Å; M280-L285 HydrophobicContact CB-CD2 3.77Å; M280-L285 HydrophobicContact CB-CG 3.75Å; M280-L285 HydrophobicContact CG-CD2 4.43Å; M280-L285 HydrophobicContact SD-CD2 4.11Å; T281-L285 WeakPolarHBondContact O-CG 3.43Å; T281-L285 PolarHBondContact O-N 3.09Å; L285-F289 VanDerWaalsContact O-CB 3.24Å; L285-F289 WeakPolarHBondContact O-CB 3.48Å; L285-F289 WeakPolarHBondContact O-CD1 3.47Å; L285-F289 WeakPolarHBondContact O-CG 3.45Å; L285-F289 PolarHBondContact O-N 3.42Å; L285-L346 HydrophobicContact CB-CD1 3.83Å; L285-L346 HydrophobicContact CD1-CD1 4.08Å
286	Y	98.3	Very high	97.3	Very high	79 Å²	79	47 Å²	47	31%	0.31	24%	0.243	S	C	.	.	H	α-helix	trans	-64.7	-41.2	177.2	-177.8	-91.9	0	0	0	112.5	D282 A283 Q284 S290 R349 V350	D282-Y286 VanDerWaalsContact O-CB 3.29Å; D282-Y286 WeakPolarHBondContact O-CB 3.23Å; D282-Y286 PolarHBondContact O-N 3.29Å; A283-Y286 WeakPolarHBondContact O-CB 3.43Å; A283-Y286 PolarHBondContact O-N 2.92Å; Q284-Y286 VanDerWaalsContact C-N 3.32Å; Q284-Y286 PolarHBondContact O-N 3.12Å; Y286-S290 VanDerWaalsContact O-CB 3.3Å; Y286-S290 WeakPolarHBondContact O-CB 3.23Å; Y286-S290 PolarHBondContact O-N 2.83Å; Y286-S290 PolarHBondContact O-OG 3.06Å; Y286-R349 HydrophobicContact CE2-CG 3.94Å; Y286-R349 PolarHBondContact OH-NH1 3.31Å; Y286-V350 HydrophobicContact CD2-CG2 3.53Å; Y286-V350 HydrophobicContact CE2-CG2 3.38Å; Y286-V350 HydrophobicContact CG-CG2 4.26Å
287	E	98	Very high	97.5	Very high	93 Å²	93	39.9 Å²	39.9	44%	0.435	21%	0.205	S	C	.	.	H	α-helix	trans	-67.1	-48.7	175.1	-72	173.6	-168.9	0	0	111.9	W248 A283 Q284 F289 S290 F291	W248-E287 HydrophobicContact CZ2-CB 4.36Å; W248-E287 PolarHBondContact NE1-OE2 2.84Å; W248-E287 VanDerWaalsContact NE1-OE2 3.17Å; A283-E287 WeakPolarHBondContact O-CG 3.2Å; A283-E287 PolarHBondContact O-N 3.37Å; Q284-E287 PolarHBondContact O-N 2.83Å; E287-F289 PolarHBondContact O-N 3.26Å; E287-S290 CarbonylContact O-C 3.31Å; E287-S290 WeakPolarHBondContact O-CA 3.45Å; E287-S290 WeakPolarHBondContact O-CB 3.42Å; E287-S290 PolarHBondContact O-N 3.15Å; E287-F291 PolarHBondContact O-N 3.26Å
288	A	98.1	Very high	97.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-57.4	-49.5	176.9	0	0	0	0	0	111.5	W248 L270 Q284 S290 F291 L292	W248-A288 HydrophobicContact CD2-CB 3.74Å; W248-A288 HydrophobicContact CE3-CB 3.57Å; W248-A288 HydrophobicContact CG-CB 4.42Å; W248-A288 HydrophobicContact CH2-CB 4.14Å; W248-A288 HydrophobicContact CZ2-CB 4.25Å; W248-A288 HydrophobicContact CZ3-CB 3.78Å; L270-A288 HydrophobicContact CD1-CB 3.57Å; L270-A288 HydrophobicContact CD2-CB 4.38Å; Q284-A288 VanDerWaalsContact O-CB 3.24Å; Q284-A288 WeakPolarHBondContact O-CB 3.49Å; Q284-A288 PolarHBondContact O-N 2.7Å; A288-S290 PolarHBondContact O-N 3.32Å; A288-F291 PolarHBondContact O-N 3.03Å; A288-L292 VanDerWaalsContact O-CB 3.32Å; A288-L292 WeakPolarHBondContact O-CB 3.24Å; A288-L292 VanDerWaalsContact O-CG 3.26Å; A288-L292 WeakPolarHBondContact O-CG 3.16Å; A288-L292 PolarHBondContact O-N 3.08Å
289	F	98.4	Very high	97.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-58.7	-36.9	173.8	-74.7	3.7	0	0	0	112.3	L270 L285 E287 K293 V299 V301 A343 L346 V350 C352 V354	L270-F289 HydrophobicContact CD1-CD1 3.73Å; L270-F289 HydrophobicContact CD1-CE1 3.62Å; L285-F289 VanDerWaalsContact O-CB 3.24Å; L285-F289 WeakPolarHBondContact O-CB 3.48Å; L285-F289 WeakPolarHBondContact O-CD1 3.47Å; L285-F289 WeakPolarHBondContact O-CG 3.45Å; L285-F289 PolarHBondContact O-N 3.42Å; E287-F289 PolarHBondContact O-N 3.26Å; F289-K293 WeakPolarHBondContact O-CB 3.5Å; F289-K293 PolarHBondContact O-N 2.82Å; F289-V299 HydrophobicContact CD1-CB 4.31Å; F289-V299 HydrophobicContact CD1-CG1 3.69Å; F289-V299 HydrophobicContact CD1-CG2 4.45Å; F289-V299 HydrophobicContact CE1-CB 4.29Å; F289-V299 HydrophobicContact CE1-CG1 3.52Å; F289-V301 HydrophobicContact CE1-CG2 4.01Å; F289-V301 HydrophobicContact CZ-CG2 3.87Å; F289-A343 WeakPolarHBondContact CE2-O 3.05Å; F289-L346 HydrophobicContact CD2-CB 3.92Å; F289-L346 HydrophobicContact CE2-CB 3.74Å; F289-V350 HydrophobicContact CB-CB 4.37Å; F289-V350 HydrophobicContact CB-CG1 4.27Å; F289-V350 HydrophobicContact CB-CG2 4.07Å; F289-C352 HydrophobicContact CB-CB 4.4Å; F289-V354 HydrophobicContact CE2-CG2 4.13Å; F289-V354 HydrophobicContact CZ-CG2 4.27Å
290	S	97.7	Very high	98	Very high	29 Å²	29	32.8 Å²	32.8	20%	0.203	17%	0.171	C	C	.	.	H	α-helix	trans	-71.1	-34.7	-179.9	-63.3	0	0	0	0	112.5	Y286 E287 A288 Q294 V350	Y286-S290 VanDerWaalsContact O-CB 3.3Å; Y286-S290 WeakPolarHBondContact O-CB 3.23Å; Y286-S290 PolarHBondContact O-N 2.83Å; Y286-S290 PolarHBondContact O-OG 3.06Å; E287-S290 CarbonylContact O-C 3.31Å; E287-S290 WeakPolarHBondContact O-CA 3.45Å; E287-S290 WeakPolarHBondContact O-CB 3.42Å; E287-S290 PolarHBondContact O-N 3.15Å; A288-S290 PolarHBondContact O-N 3.32Å; S290-Q294 WeakPolarHBondContact O-CG 3.34Å; S290-Q294 PolarHBondContact O-NE2 3.47Å; S290-V350 WeakPolarHBondContact OG-CG2 3.44Å
291	F	98.3	Very high	98	Very high	23 Å²	23	32.6 Å²	32.6	10%	0.101	17%	0.17	C	C	.	.	H	α-helix	trans	-79.6	-52.2	177.6	-175.5	-103.6	0	0	0	112.1	W248 K253 L256 E257 E287 A288 K293 Q294 L295	W248-F291 HydrophobicContact CH2-CB 3.74Å; W248-F291 AromaticContact CH2-CD1 3.76Å; W248-F291 HydrophobicContact CH2-CD1 3.76Å; W248-F291 AromaticContact CH2-CG 3.98Å; W248-F291 HydrophobicContact CH2-CG 3.98Å; W248-F291 HydrophobicContact CZ2-CB 4.05Å; K253-F291 HydrophobicContact CB-CE1 3.81Å; K253-F291 HydrophobicContact CB-CE2 3.93Å; K253-F291 HydrophobicContact CB-CZ 3.46Å; K253-F291 VanDerWaalsContact CB-CZ 3.46Å; K253-F291 HydrophobicContact CD-CD2 4.02Å; K253-F291 HydrophobicContact CD-CE2 3.96Å; K253-F291 HydrophobicContact CD-CG 4.43Å; K253-F291 HydrophobicContact CD-CZ 4.3Å; K253-F291 HydrophobicContact CG-CD1 4.12Å; K253-F291 HydrophobicContact CG-CD2 4.19Å; K253-F291 HydrophobicContact CG-CE1 3.88Å; K253-F291 HydrophobicContact CG-CE2 3.98Å; K253-F291 HydrophobicContact CG-CG 4.26Å; K253-F291 HydrophobicContact CG-CZ 3.81Å; L256-F291 HydrophobicContact CB-CE1 4.01Å; L256-F291 HydrophobicContact CD1-CD1 4.28Å; L256-F291 HydrophobicContact CD1-CE1 4.18Å; E257-F291 HydrophobicContact CG-CZ 3.95Å; E287-F291 PolarHBondContact O-N 3.26Å; A288-F291 PolarHBondContact O-N 3.03Å; F291-K293 PolarHBondContact O-N 2.96Å; F291-K293 VanDerWaalsContact O-N 3.14Å; F291-Q294 WeakPolarHBondContact O-CA 3.36Å; F291-Q294 WeakPolarHBondContact O-CB 3.5Å; F291-Q294 PolarHBondContact O-N 2.92Å; F291-L295 HydrophobicContact CD1-CD1 4.19Å; F291-L295 HydrophobicContact CD1-CG 4.42Å; F291-L295 HydrophobicContact CE1-CD1 3.66Å; F291-L295 HydrophobicContact CE1-CD2 4.35Å; F291-L295 HydrophobicContact CE1-CG 4.09Å; F291-L295 HydrophobicContact CZ-CD1 4.27Å; F291-L295 HydrophobicContact CZ-CD2 4.18Å; F291-L295 HydrophobicContact CZ-CG 4.41Å; F291-L295 PolarHBondContact O-N 3.08Å
292	L	98	Very high	98.1	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-59.5	-30.4	179.8	-65.9	175.1	0	0	0	112.8	I245 L256 F268 L270 A288 Q294 L295 G296 A297 V299	I245-L292 HydrophobicContact CD1-CD1 4.16Å; I245-L292 HydrophobicContact CD1-CD2 4.4Å; L256-L292 HydrophobicContact CD1-CD2 4.09Å; L256-L292 HydrophobicContact CD2-CD2 4.44Å; F268-L292 HydrophobicContact CB-CD1 4.16Å; F268-L292 HydrophobicContact CB-CD2 4.26Å; F268-L292 HydrophobicContact CD2-CD2 3.57Å; F268-L292 HydrophobicContact CE2-CD2 4.09Å; F268-L292 HydrophobicContact CG-CD2 3.98Å; L270-L292 HydrophobicContact CD2-CD1 4.29Å; A288-L292 VanDerWaalsContact O-CB 3.32Å; A288-L292 WeakPolarHBondContact O-CB 3.24Å; A288-L292 VanDerWaalsContact O-CG 3.26Å; A288-L292 WeakPolarHBondContact O-CG 3.16Å; A288-L292 PolarHBondContact O-N 3.08Å; L292-Q294 VanDerWaalsContact C-N 3.35Å; L292-L295 HydrophobicContact CD2-CD1 4.41Å; L292-L295 PolarHBondContact O-N 3.11Å; L292-G296 PolarHBondContact O-N 2.92Å; L292-A297 HydrophobicContact CB-CB 4.45Å; L292-A297 PolarHBondContact O-N 3.07Å; L292-V299 HydrophobicContact CB-CG2 3.61Å; L292-V299 HydrophobicContact CD1-CB 4.47Å; L292-V299 HydrophobicContact CD1-CG1 3.91Å; L292-V299 HydrophobicContact CD1-CG2 3.78Å; L292-V299 HydrophobicContact CG-CG2 4.37Å
293	K	97.3	Very high	98.1	Very high	40 Å²	40	25.8 Å²	25.8	17%	0.174	13%	0.131	C	C	.	.	H	α-helix	trans	-61.3	-39	169.5	-179.6	-170.9	169.6	-169.4	0	113.1	F289 F291 L295 G296 V350 N351 C352 Y583 N590	F289-K293 WeakPolarHBondContact O-CB 3.5Å; F289-K293 PolarHBondContact O-N 2.82Å; F291-K293 PolarHBondContact O-N 2.96Å; F291-K293 VanDerWaalsContact O-N 3.14Å; K293-L295 VanDerWaalsContact C-N 3.34Å; K293-G296 PolarHBondContact O-N 3.36Å; K293-G296 VanDerWaalsContact O-N 3.16Å; K293-V350 HydrophobicContact CD-CG1 3.94Å; K293-V350 PolarHBondContact NZ-O 2.56Å; K293-N351 VanDerWaalsContact CD-O 3.31Å; K293-N351 WeakPolarHBondContact CD-O 3.38Å; K293-N351 WeakPolarHBondContact CE-O 3.37Å; K293-N351 PolarHBondContact NZ-O 2.87Å; K293-C352 HydrophobicContact CB-CB 4.1Å; K293-C352 HydrophobicContact CD-CB 4.37Å; K293-C352 HydrophobicContact CG-CB 4.41Å; K293-Y583 HydrophobicContact CG-CE1 4.44Å; K293-N590 PolarHBondContact NZ-OD1 3.07Å
294	Q	96.9	Very high	98.1	Very high	139 Å²	139	23 Å²	23	65%	0.65	11%	0.108	S	C	*	.	H	α-helix	trans	-70.8	-33.6	179.4	-68.1	170.8	62.2	0	0	111.1	S290 F291 L292 G296 F578	S290-Q294 WeakPolarHBondContact O-CG 3.34Å; S290-Q294 PolarHBondContact O-NE2 3.47Å; F291-Q294 WeakPolarHBondContact O-CA 3.36Å; F291-Q294 WeakPolarHBondContact O-CB 3.5Å; F291-Q294 PolarHBondContact O-N 2.92Å; L292-Q294 VanDerWaalsContact C-N 3.35Å; Q294-G296 PolarHBondContact O-N 3.18Å; Q294-F578 VanDerWaalsContact O-CZ 3.32Å; Q294-F578 WeakPolarHBondContact O-CZ 3.48Å
295	L	97.6	Very high	98.2	Very high	18 Å²	18	21.1 Å²	21.1	9%	0.094	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-14.3	170.2	-54.4	-169.3	0	0	0	113.2	L256 E257 A260 F291 L292 K293 P577	L256-L295 HydrophobicContact CB-CD1 3.98Å; E257-L295 HydrophobicContact CG-CD1 4.39Å; E257-L295 HydrophobicContact CG-CD2 3.47Å; E257-L295 VanDerWaalsContact CG-CD2 3.47Å; A260-L295 HydrophobicContact CB-CB 4.39Å; A260-L295 HydrophobicContact CB-CD1 4.26Å; F291-L295 HydrophobicContact CD1-CD1 4.19Å; F291-L295 HydrophobicContact CD1-CG 4.42Å; F291-L295 HydrophobicContact CE1-CD1 3.66Å; F291-L295 HydrophobicContact CE1-CD2 4.35Å; F291-L295 HydrophobicContact CE1-CG 4.09Å; F291-L295 HydrophobicContact CZ-CD1 4.27Å; F291-L295 HydrophobicContact CZ-CD2 4.18Å; F291-L295 HydrophobicContact CZ-CG 4.41Å; F291-L295 PolarHBondContact O-N 3.08Å; L292-L295 HydrophobicContact CD2-CD1 4.41Å; L292-L295 PolarHBondContact O-N 3.11Å; K293-L295 VanDerWaalsContact C-N 3.34Å; L295-P577 WeakPolarHBondContact O-CB 3.48Å
296	G	97.6	Very high	98.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.6	21.4	-176	0	0	0	0	0	113.9	L292 K293 Q294 F578 Y583	L292-G296 PolarHBondContact O-N 2.92Å; K293-G296 PolarHBondContact O-N 3.36Å; K293-G296 VanDerWaalsContact O-N 3.16Å; Q294-G296 PolarHBondContact O-N 3.18Å; G296-F578 VanDerWaalsContact CA-CD1 3.47Å; G296-F578 WeakPolarHBondContact O-CA 3.35Å; G296-F578 PolarHBondContact O-N 2.89Å; G296-Y583 VanDerWaalsContact C-CE2 3.48Å; G296-Y583 VanDerWaalsContact C-CZ 3.49Å; G296-Y583 WeakPolarHBondContact O-CE2 3.45Å
297	A	98.1	Very high	98.2	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.008	10%	0.102	C	C	.	.			trans	-80.5	155.9	-178.6	0	0	0	0	0	112.7	N266 F268 L292 Y583	N266-A297 CarbonylContact O-C 3.11Å; N266-A297 VanDerWaalsContact O-CA 3.27Å; N266-A297 WeakPolarHBondContact O-CA 3.41Å; F268-A297 HydrophobicContact CD2-CB 3.67Å; F268-A297 HydrophobicContact CE2-CB 3.78Å; L292-A297 HydrophobicContact CB-CB 4.45Å; L292-A297 PolarHBondContact O-N 3.07Å; A297-Y583 PolarHBondContact N-OH 3.09Å; A297-Y583 WeakPolarHBondContact O-CE2 3.49Å; A297-Y583 PolarHBondContact O-OH 2.92Å
298	V	98.1	Very high	98.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	123.7	163.5	-178.1	0	0	0	0	107.3	N266 S267 F268 L300 Y355 I495 F496 P579	N266-V298 PolarHBondContact O-N 2.89Å; S267-V298 VanDerWaalsContact CA-O 3.3Å; S267-V298 WeakPolarHBondContact CA-O 3.25Å; F268-V298 PolarHBondContact N-O 3.02Å; V298-L300 HydrophobicContact CB-CD1 4.5Å; V298-L300 HydrophobicContact CG1-CD1 4.23Å; V298-L300 WeakPolarHBondContact O-CD1 3.48Å; V298-Y355 HydrophobicContact CG1-CD2 4.31Å; V298-Y355 HydrophobicContact CG1-CG 4.33Å; V298-I495 HydrophobicContact CG1-CG2 4.26Å; V298-I495 HydrophobicContact CG2-CG2 4.27Å; V298-F496 HydrophobicContact CB-CE1 4.31Å; V298-F496 HydrophobicContact CG1-CE1 4.23Å; V298-P579 HydrophobicContact CG2-CG 3.77Å
299	V	98.6	Very high	98.2	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	111.6	178.5	-168.7	0	0	0	0	109.5	L270 F289 L292 Y355	L270-V299 HydrophobicContact CD1-CG1 3.92Å; L270-V299 HydrophobicContact CG-CG1 3.88Å; F289-V299 HydrophobicContact CD1-CB 4.31Å; F289-V299 HydrophobicContact CD1-CG1 3.69Å; F289-V299 HydrophobicContact CD1-CG2 4.45Å; F289-V299 HydrophobicContact CE1-CB 4.29Å; F289-V299 HydrophobicContact CE1-CG1 3.52Å; L292-V299 HydrophobicContact CB-CG2 3.61Å; L292-V299 HydrophobicContact CD1-CB 4.47Å; L292-V299 HydrophobicContact CD1-CG1 3.91Å; L292-V299 HydrophobicContact CD1-CG2 3.78Å; L292-V299 HydrophobicContact CG-CG2 4.37Å; V299-Y355 PolarHBondContact O-N 2.82Å
300	L	98.9	Very high	98.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	144.6	172.9	-68.7	70.9	0	0	0	108.2	S267 F268 Q269 L270 V298 Y355 T357 F496	S267-L300 VanDerWaalsContact CB-CD1 3.48Å; F268-L300 PolarHBondContact O-N 2.85Å; Q269-L300 HydrophobicContact CB-CB 4.16Å; Q269-L300 VanDerWaalsContact OE1-CB 3.22Å; Q269-L300 PolarHBondContact OE1-O 2.83Å; L270-L300 PolarHBondContact N-O 2.88Å; V298-L300 HydrophobicContact CB-CD1 4.5Å; V298-L300 HydrophobicContact CG1-CD1 4.23Å; V298-L300 WeakPolarHBondContact O-CD1 3.48Å; L300-Y355 CarbonylContact C-O 3.53Å; L300-Y355 VanDerWaalsContact CA-O 3.31Å; L300-Y355 WeakPolarHBondContact CA-O 3.31Å; L300-Y355 HydrophobicContact CB-CD1 4.47Å; L300-Y355 HydrophobicContact CD2-CD1 4.42Å; L300-Y355 HydrophobicContact CG-CD1 3.83Å; L300-Y355 HydrophobicContact CG-CE1 4.46Å; L300-Y355 HydrophobicContact CG-CG 4.28Å; L300-T357 HydrophobicContact CB-CG2 3.85Å; L300-T357 HydrophobicContact CD2-CG2 3.83Å; L300-T357 HydrophobicContact CG-CG2 4.08Å; L300-F496 HydrophobicContact CD1-CE1 4.17Å
301	V	98.9	Very high	98.3	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	127.9	175.2	-169.5	0	0	0	0	110	Q269 L270 M272 F289 A303 A343 V354 Y355 I356 T357	Q269-V301 VanDerWaalsContact OE1-C 3.22Å; Q269-V301 VanDerWaalsContact OE1-CA 3.24Å; L270-V301 WeakPolarHBondContact O-CA 3.42Å; M272-V301 HydrophobicContact CG-CG1 3.9Å; M272-V301 HydrophobicContact SD-CG1 3.74Å; F289-V301 HydrophobicContact CE1-CG2 4.01Å; F289-V301 HydrophobicContact CZ-CG2 3.87Å; V301-A303 HydrophobicContact CG1-CB 4.04Å; V301-A343 HydrophobicContact CG1-CB 4.16Å; V301-A343 HydrophobicContact CG2-CB 4.46Å; V301-V354 HydrophobicContact CG2-CG1 3.95Å; V301-Y355 PolarHBondContact N-O 3.38Å; V301-I356 HydrophobicContact CB-CD1 4.36Å; V301-T357 PolarHBondContact O-N 3.11Å; V301-T357 VanDerWaalsContact O-N 3.12Å; V301-T357 PolarHBondContact O-OG1 3.45Å; V301-T357 VanDerWaalsContact O-OG1 3.05Å
302	H	98.7	Very high	98.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	103.3	159.6	176.4	65.3	0	0	0	108.7	L270 Y271 M272 Y274 E304 K358 S408	L270-H302 PolarHBondContact O-N 2.86Å; Y271-H302 HydrophobicContact CD1-CB 3.77Å; Y271-H302 AromaticContact CD1-CD2 3.63Å; Y271-H302 HydrophobicContact CE1-CB 3.83Å; Y271-H302 AromaticContact CE1-CD2 3.94Å; M272-H302 PolarHBondContact N-O 3.06Å; Y274-H302 AromaticContact CE2-CD2 3.52Å; Y274-H302 AromaticContact CE2-NE2 3.44Å; Y274-H302 WeakPolarHBondContact CE2-NE2 3.43Å; Y274-H302 AromaticContact CZ-NE2 3.89Å; H302-E304 IonicContact CE1-OE2 2.63Å; H302-E304 PolarHBondContact CE1-OE2 3.27Å; H302-E304 IonicContact NE2-OE2 2.65Å; H302-E304 PolarHBondContact NE2-OE2 3.25Å; H302-K358 PolarHBondContact ND1-NZ 2.94Å; H302-S408 PolarHBondContact CE1-O 2.99Å
303	A	98.6	Very high	98.3	Very high	2 Å²	2	27.1 Å²	27.1	2%	0.017	14%	0.135	C	C	.	.			trans	-108.8	85.9	-163.8	0	0	0	0	0	112	M272 V301 E336 A339 V340	M272-A303 HydrophobicContact SD-CB 4.14Å; V301-A303 HydrophobicContact CG1-CB 4.04Å; A303-E336 WeakPolarHBondContact O-CA 3.3Å; A303-A339 VanDerWaalsContact C-CB 3.41Å; A303-A339 HydrophobicContact CB-CB 4.04Å; A303-V340 HydrophobicContact CB-CG2 3.64Å
304	E	98.6	Very high	98.4	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	15%	0.152	C	C	.	.			trans	-130.5	157.4	161.7	-48.6	174.8	57.7	0	0	109	M272 A273 H302 G306 I309 R331 L335 A339 S408 P409	M272-E304 CarbonylContact C-O 3.56Å; M272-E304 VanDerWaalsContact CB-O 3.31Å; M272-E304 WeakPolarHBondContact CB-O 3.46Å; A273-E304 HydrophobicContact CB-CB 4.02Å; A273-E304 PolarHBondContact N-O 3.16Å; H302-E304 IonicContact CE1-OE2 2.63Å; H302-E304 PolarHBondContact CE1-OE2 3.27Å; H302-E304 IonicContact NE2-OE2 2.65Å; H302-E304 PolarHBondContact NE2-OE2 3.25Å; E304-G306 PolarHBondContact O-N 3.32Å; E304-I309 HydrophobicContact CB-CD1 3.57Å; E304-I309 HydrophobicContact CG-CD1 4.45Å; E304-R331 WeakPolarHBondContact OE1-CD 3.44Å; E304-L335 WeakPolarHBondContact CA-O 3.21Å; E304-A339 VanDerWaalsContact C-CB 3.44Å; E304-S408 WeakPolarHBondContact OE2-CB 3.4Å; E304-P409 HydrophobicContact CG-CB 4.01Å; E304-P409 HydrophobicContact CG-CG 3.75Å; E304-P409 WeakPolarHBondContact OE2-CA 3.41Å
305	N	98.7	Very high	98.5	Very high	18 Å²	18	29.8 Å²	29.8	10%	0.096	14%	0.141	C	C	.	.			trans	-80.9	93.3	179.2	-171.4	-54.5	0	0	0	112	D307 L308 I309 L335 E338 R342	N305-D307 VanDerWaalsContact C-N 3.29Å; N305-D307 PolarHBondContact O-N 3.32Å; N305-D307 PolarHBondContact OD1-N 3.07Å; N305-L308 HydrophobicContact CB-CB 4.39Å; N305-L308 HydrophobicContact CB-CD1 4.38Å; N305-L308 PolarHBondContact O-N 3.14Å; N305-L308 WeakPolarHBondContact OD1-CG 3.42Å; N305-L308 PolarHBondContact OD1-N 2.85Å; N305-I309 WeakPolarHBondContact O-CG1 3.47Å; N305-I309 PolarHBondContact O-N 2.63Å; N305-L335 HydrophobicContact CB-CB 4.16Å; N305-L335 HydrophobicContact CB-CG 4.14Å; N305-L335 PolarHBondContact N-O 3.03Å; N305-E338 PolarHBondContact ND2-OE2 3.36Å; N305-R342 PolarHBondContact ND2-NH2 2.85Å
306	G	98.4	Very high	98.5	Very high	2 Å²	2	29.3 Å²	29.3	2%	0.021	14%	0.138	C	C	.	.	H	α-helix	trans	-58.5	-31.2	-176.3	0	0	0	0	0	115.9	M272 E304 A310	M272-G306 PolarHBondContact O-N 3.04Å; E304-G306 PolarHBondContact O-N 3.32Å; G306-A310 WeakPolarHBondContact O-CB 3.36Å; G306-A310 PolarHBondContact O-N 2.94Å
307	D	98.6	Very high	98.5	Very high	62 Å²	62	31.8 Å²	31.8	33%	0.332	15%	0.151	S	C	.	.	H	α-helix	trans	-67.4	-43.4	177.1	-77.6	-75.1	0	0	0	112.6	K275 Q279 N305 Q311	K275-D307 IonicContact NZ-OD1 3.98Å; K275-D307 PolarHBondContact NZ-OD1 3.45Å; Q279-D307 PolarHBondContact NE2-OD2 2.89Å; N305-D307 VanDerWaalsContact C-N 3.29Å; N305-D307 PolarHBondContact O-N 3.32Å; N305-D307 PolarHBondContact OD1-N 3.07Å; D307-Q311 WeakPolarHBondContact O-CG 3.24Å; D307-Q311 PolarHBondContact O-N 3.5Å
308	L	98.6	Very high	98.6	Very high	71 Å²	71	39.5 Å²	39.5	37%	0.372	19%	0.187	S	C	.	.	H	α-helix	trans	-73.5	-38.9	177.5	-66.7	177.8	0	0	0	111.4	N305 A310 Q311 E312 L335	N305-L308 HydrophobicContact CB-CB 4.39Å; N305-L308 HydrophobicContact CB-CD1 4.38Å; N305-L308 PolarHBondContact O-N 3.14Å; N305-L308 WeakPolarHBondContact OD1-CG 3.42Å; N305-L308 PolarHBondContact OD1-N 2.85Å; L308-A310 VanDerWaalsContact C-N 3.33Å; L308-A310 PolarHBondContact O-N 3.05Å; L308-Q311 PolarHBondContact O-N 3.46Å; L308-Q311 VanDerWaalsContact O-N 3.12Å; L308-E312 PolarHBondContact O-N 3.33Å; L308-L335 HydrophobicContact CB-CD2 3.55Å; L308-L335 HydrophobicContact CB-CG 3.92Å; L308-L335 HydrophobicContact CD1-CD1 4.21Å; L308-L335 HydrophobicContact CD1-CG 4.1Å
309	I	98.7	Very high	98.6	Very high	7 Å²	7	45.5 Å²	45.5	4%	0.036	22%	0.216	C	C	.	.	H	α-helix	trans	-53.7	-51.8	172.2	-67.4	171.2	0	0	0	110.2	A273 E304 N305 Q311 E312 Q313 R331 L335	A273-I309 HydrophobicContact CB-CD1 4.18Å; E304-I309 HydrophobicContact CB-CD1 3.57Å; E304-I309 HydrophobicContact CG-CD1 4.45Å; N305-I309 WeakPolarHBondContact O-CG1 3.47Å; N305-I309 PolarHBondContact O-N 2.63Å; I309-Q311 PolarHBondContact O-N 3.19Å; I309-E312 PolarHBondContact O-N 3.29Å; I309-Q313 HydrophobicContact CG2-CG 4.05Å; I309-Q313 WeakPolarHBondContact O-CB 3.39Å; I309-Q313 VanDerWaalsContact O-CG 3.29Å; I309-Q313 WeakPolarHBondContact O-CG 3.2Å; I309-Q313 PolarHBondContact O-N 3.29Å; I309-R331 HydrophobicContact CD1-CG 4.19Å; I309-R331 HydrophobicContact CG1-CB 4.3Å; I309-R331 HydrophobicContact CG1-CG 3.89Å; I309-R331 HydrophobicContact CG2-CG 4.01Å; I309-L335 HydrophobicContact CG1-CD2 3.95Å
310	A	98.5	Very high	98.6	Very high	16 Å²	16	48.1 Å²	48.1	13%	0.132	24%	0.244	C	C	.	.	H	α-helix	trans	-66.2	-22.7	-178.1	0	0	0	0	0	113.6	K275 G306 L308 R314	K275-A310 HydrophobicContact CB-CB 4.05Å; K275-A310 HydrophobicContact CD-CB 3.93Å; K275-A310 HydrophobicContact CG-CB 4.43Å; G306-A310 WeakPolarHBondContact O-CB 3.36Å; G306-A310 PolarHBondContact O-N 2.94Å; L308-A310 VanDerWaalsContact C-N 3.33Å; L308-A310 PolarHBondContact O-N 3.05Å; A310-R314 PolarHBondContact O-NE 3.03Å; A310-R314 PolarHBondContact O-NH2 3.41Å
311	Q	98.4	Very high	98.6	Very high	103 Å²	103	50.1 Å²	50.1	48%	0.481	25%	0.254	S	S	.	.	H	α-helix	trans	-79.4	-49.3	172.6	-72.6	-179.6	20.3	0	0	111.6	D307 L308 I309 R314 K315	D307-Q311 WeakPolarHBondContact O-CG 3.24Å; D307-Q311 PolarHBondContact O-N 3.5Å; L308-Q311 PolarHBondContact O-N 3.46Å; L308-Q311 VanDerWaalsContact O-N 3.12Å; I309-Q311 PolarHBondContact O-N 3.19Å; Q311-R314 PolarHBondContact O-N 3.4Å; Q311-K315 WeakPolarHBondContact O-CB 3.48Å; Q311-K315 PolarHBondContact O-N 3.1Å; Q311-K315 VanDerWaalsContact O-N 3.13Å
312	E	98.6	Very high	98.5	Very high	55 Å²	55	52.7 Å²	52.7	26%	0.257	27%	0.27	S	S	.	.	H	α-helix	trans	-68.8	-36.5	-178.2	-70.4	-64.8	135.5	0	0	112	L308 I309 R314 K315 I316	L308-E312 PolarHBondContact O-N 3.33Å; I309-E312 PolarHBondContact O-N 3.29Å; E312-R314 PolarHBondContact O-N 3.23Å; E312-K315 PolarHBondContact O-N 3.32Å; E312-K315 WeakPolarHBondContact OE1-CD 3.32Å; E312-K315 IonicContact OE1-NZ 3.61Å; E312-K315 PolarHBondContact OE1-NZ 2.77Å; E312-K315 WeakPolarHBondContact OE2-CD 3.26Å; E312-K315 IonicContact OE2-NZ 2.75Å; E312-K315 PolarHBondContact OE2-NZ 3.37Å; E312-I316 HydrophobicContact CB-CD1 4.44Å; E312-I316 WeakPolarHBondContact O-CB 3.45Å; E312-I316 WeakPolarHBondContact O-CD1 3.41Å; E312-I316 VanDerWaalsContact O-CG1 3.25Å; E312-I316 WeakPolarHBondContact O-CG1 3.24Å; E312-I316 PolarHBondContact O-N 3.04Å
313	Q	98.6	Very high	98.5	Very high	34 Å²	34	53.1 Å²	53.1	16%	0.159	27%	0.274	C	S	.	.	H	α-helix	trans	-55.2	-49.8	172.2	-78.5	-176.6	-48.8	0	0	112.1	I309 I316 L317 S330 R331 F452 T453	I309-Q313 HydrophobicContact CG2-CG 4.05Å; I309-Q313 WeakPolarHBondContact O-CB 3.39Å; I309-Q313 VanDerWaalsContact O-CG 3.29Å; I309-Q313 WeakPolarHBondContact O-CG 3.2Å; I309-Q313 PolarHBondContact O-N 3.29Å; Q313-I316 PolarHBondContact O-N 3.38Å; Q313-L317 WeakPolarHBondContact O-CG 3.33Å; Q313-L317 PolarHBondContact O-N 2.82Å; Q313-S330 WeakPolarHBondContact CG-OG 3.42Å; Q313-R331 VanDerWaalsContact NE2-NH2 3.14Å; Q313-F452 HydrophobicContact CB-CZ 4.46Å; Q313-F452 HydrophobicContact CG-CE2 4.09Å; Q313-F452 HydrophobicContact CG-CZ 4.22Å; Q313-T453 HydrophobicContact CB-CG2 4.06Å; Q313-T453 HydrophobicContact CG-CG2 4.01Å
314	R	98.4	Very high	98.5	Very high	140 Å²	140	53.1 Å²	53.1	53%	0.528	27%	0.274	S	S	.	.	H	α-helix	trans	-60.9	-47.8	177.2	-73.8	-170.6	-63.3	-104	-4.9	111.8	A310 Q311 E312 I316 L317 E318	A310-R314 PolarHBondContact O-NE 3.03Å; A310-R314 PolarHBondContact O-NH2 3.41Å; Q311-R314 PolarHBondContact O-N 3.4Å; E312-R314 PolarHBondContact O-N 3.23Å; R314-I316 VanDerWaalsContact C-N 3.32Å; R314-I316 PolarHBondContact O-N 3.1Å; R314-L317 PolarHBondContact O-N 2.92Å; R314-E318 WeakPolarHBondContact O-CB 3.44Å; R314-E318 VanDerWaalsContact O-CG 3.3Å; R314-E318 WeakPolarHBondContact O-CG 3.13Å; R314-E318 PolarHBondContact O-N 2.89Å
315	K	98.6	Very high	98.5	Very high	96 Å²	96	55.8 Å²	55.8	42%	0.417	29%	0.286	S	S	.	.	H	α-helix	trans	-58.9	-39.8	179.4	172.4	-177.3	161.3	-146.6	0	112.6	Q311 E312 E318 M319	Q311-K315 WeakPolarHBondContact O-CB 3.48Å; Q311-K315 PolarHBondContact O-N 3.1Å; Q311-K315 VanDerWaalsContact O-N 3.13Å; E312-K315 PolarHBondContact O-N 3.32Å; E312-K315 WeakPolarHBondContact OE1-CD 3.32Å; E312-K315 IonicContact OE1-NZ 3.61Å; E312-K315 PolarHBondContact OE1-NZ 2.77Å; E312-K315 WeakPolarHBondContact OE2-CD 3.26Å; E312-K315 IonicContact OE2-NZ 2.75Å; E312-K315 PolarHBondContact OE2-NZ 3.37Å; K315-E318 PolarHBondContact O-N 2.74Å; K315-M319 HydrophobicContact CG-SD 4.45Å; K315-M319 VanDerWaalsContact O-CG 3.26Å; K315-M319 WeakPolarHBondContact O-CG 3.41Å; K315-M319 PolarHBondContact O-N 3.26Å
316	I	98.6	Very high	98.5	Very high	8 Å²	8	54.9 Å²	54.9	4%	0.041	28%	0.282	C	S	.	.	H	α-helix	trans	-72.3	-39.9	179.7	-73	163.3	0	0	0	111.2	E312 Q313 R314 M319 G320 I321 L329 F452	E312-I316 HydrophobicContact CB-CD1 4.44Å; E312-I316 WeakPolarHBondContact O-CB 3.45Å; E312-I316 WeakPolarHBondContact O-CD1 3.41Å; E312-I316 VanDerWaalsContact O-CG1 3.25Å; E312-I316 WeakPolarHBondContact O-CG1 3.24Å; E312-I316 PolarHBondContact O-N 3.04Å; Q313-I316 PolarHBondContact O-N 3.38Å; R314-I316 VanDerWaalsContact C-N 3.32Å; R314-I316 PolarHBondContact O-N 3.1Å; I316-M319 WeakPolarHBondContact O-CB 3.49Å; I316-M319 PolarHBondContact O-N 3.32Å; I316-G320 PolarHBondContact O-N 3Å; I316-I321 HydrophobicContact CG2-CB 3.68Å; I316-I321 HydrophobicContact CG2-CD1 4.41Å; I316-I321 HydrophobicContact CG2-CG2 3.82Å; I316-I321 WeakPolarHBondContact O-CB 3.41Å; I316-I321 PolarHBondContact O-N 2.98Å; I316-I321 VanDerWaalsContact O-N 3.08Å; I316-L329 HydrophobicContact CD1-CB 3.66Å; I316-L329 WeakPolarHBondContact CD1-O 3.47Å; I316-F452 HydrophobicContact CB-CE1 4.42Å; I316-F452 HydrophobicContact CB-CZ 4.39Å; I316-F452 HydrophobicContact CG2-CE1 3.68Å; I316-F452 HydrophobicContact CG2-CZ 3.94Å
317	L	98.6	Very high	98.5	Very high	52 Å²	52	54.9 Å²	54.9	27%	0.272	28%	0.281	S	S	.	.	H	α-helix	trans	-64.5	-40.4	170.8	-68.5	171.9	0	0	0	112	Q313 R314 M319 G320 T322 F452 T453	Q313-L317 WeakPolarHBondContact O-CG 3.33Å; Q313-L317 PolarHBondContact O-N 2.82Å; R314-L317 PolarHBondContact O-N 2.92Å; L317-M319 PolarHBondContact O-N 3.31Å; L317-G320 WeakPolarHBondContact O-CA 3.4Å; L317-G320 PolarHBondContact O-N 3.44Å; L317-T322 HydrophobicContact CD2-CG2 4.11Å; L317-F452 HydrophobicContact CD2-CD1 3.91Å; L317-F452 HydrophobicContact CD2-CE1 3.7Å; L317-F452 HydrophobicContact CG-CE1 3.89Å; L317-T453 HydrophobicContact CD1-CG2 3.9Å
318	E	98.5	Very high	98.5	Very high	162 Å²	162	52.4 Å²	52.4	76%	0.757	27%	0.268	S	S	*	.	H	α-helix	trans	-62.8	-28.4	173.9	-76.3	170	-166.1	0	0	112.8	R314 K315 G320	R314-E318 WeakPolarHBondContact O-CB 3.44Å; R314-E318 VanDerWaalsContact O-CG 3.3Å; R314-E318 WeakPolarHBondContact O-CG 3.13Å; R314-E318 PolarHBondContact O-N 2.89Å; K315-E318 PolarHBondContact O-N 2.74Å; E318-G320 PolarHBondContact O-N 3.44Å
319	M	98.4	Very high	98.5	Very high	126 Å²	126	52.6 Å²	52.6	62%	0.621	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-2.2	170.6	-70.7	170.2	60.2	0	0	113.5	K315 I316 L317 I321	K315-M319 HydrophobicContact CG-SD 4.45Å; K315-M319 VanDerWaalsContact O-CG 3.26Å; K315-M319 WeakPolarHBondContact O-CG 3.41Å; K315-M319 PolarHBondContact O-N 3.26Å; I316-M319 WeakPolarHBondContact O-CB 3.49Å; I316-M319 PolarHBondContact O-N 3.32Å; L317-M319 PolarHBondContact O-N 3.31Å; M319-I321 VanDerWaalsContact C-N 3.35Å; M319-I321 HydrophobicContact CB-CD1 4.39Å; M319-I321 HydrophobicContact CB-CG1 4.4Å; M319-I321 HydrophobicContact CE-CD1 4.14Å
320	G	98.3	Very high	98.5	Very high	56 Å²	56	52.2 Å²	52.2	58%	0.577	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	13.2	-177.8	0	0	0	0	0	114.5	I316 L317 E318 T322	I316-G320 PolarHBondContact O-N 3Å; L317-G320 WeakPolarHBondContact O-CA 3.4Å; L317-G320 PolarHBondContact O-N 3.44Å; E318-G320 PolarHBondContact O-N 3.44Å; G320-T322 PolarHBondContact O-N 3.45Å
321	I	98.6	Very high	98.4	Very high	42 Å²	42	52.1 Å²	52.1	22%	0.215	26%	0.264	C	S	.	.			trans	-89.1	98.4	177.2	-57.9	171.5	0	0	0	108	I316 M319 E325 L329	I316-I321 HydrophobicContact CG2-CB 3.68Å; I316-I321 HydrophobicContact CG2-CD1 4.41Å; I316-I321 HydrophobicContact CG2-CG2 3.82Å; I316-I321 WeakPolarHBondContact O-CB 3.41Å; I316-I321 PolarHBondContact O-N 2.98Å; I316-I321 VanDerWaalsContact O-N 3.08Å; M319-I321 VanDerWaalsContact C-N 3.35Å; M319-I321 HydrophobicContact CB-CD1 4.39Å; M319-I321 HydrophobicContact CB-CG1 4.4Å; M319-I321 HydrophobicContact CE-CD1 4.14Å; I321-E325 HydrophobicContact CG2-CG 4.06Å; I321-L329 HydrophobicContact CD1-CD1 4.38Å
322	T	98.4	Very high	98.4	Very high	53 Å²	53	49.4 Å²	49.4	33%	0.325	26%	0.255	S	S	.	.			trans	-107.7	-10.7	-178.6	56.6	0	0	0	0	114	L317 G320 E450 F452	L317-T322 HydrophobicContact CD2-CG2 4.11Å; G320-T322 PolarHBondContact O-N 3.45Å; T322-E450 VanDerWaalsContact CB-O 3.27Å; T322-E450 WeakPolarHBondContact CB-O 3.41Å; T322-E450 WeakPolarHBondContact CG2-O 3.39Å; T322-F452 PolarHBondContact O-N 2.75Å
323	G	98.5	Very high	98.4	Very high	9 Å²	9	49.6 Å²	49.6	9%	0.093	26%	0.256	C	S	.	.	S	Bend	trans	-75.9	168.4	179.4	0	0	0	0	0	113.6	E325 G326 F452	G323-E325 VanDerWaalsContact CA-OE2 3.27Å; G323-E325 WeakPolarHBondContact CA-OE2 3.45Å; G323-E325 PolarHBondContact O-N 2.89Å; G323-G326 PolarHBondContact O-N 3.14Å; G323-F452 WeakPolarHBondContact O-CB 3.48Å
324	P	98.6	Very high	98.3	Very high	3 Å²	3	53.9 Å²	53.9	2%	0.019	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-20.6	-175.5	-24.1	36.3	0	0	0	114.4	G326 H327 P328 W399 A402 A403 V406 I455	P324-G326 PolarHBondContact O-N 3.03Å; P324-H327 VanDerWaalsContact O-CB 3.26Å; P324-H327 WeakPolarHBondContact O-CB 3.49Å; P324-H327 PolarHBondContact O-N 2.89Å; P324-H327 VanDerWaalsContact O-N 3.09Å; P324-P328 VanDerWaalsContact O-CD 3.26Å; P324-P328 WeakPolarHBondContact O-CD 3.35Å; P324-W399 HydrophobicContact CG-CZ2 4.42Å; P324-A402 HydrophobicContact CB-CB 3.89Å; P324-A402 HydrophobicContact CG-CB 3.81Å; P324-A403 HydrophobicContact CG-CB 4.04Å; P324-V406 HydrophobicContact CB-CG2 3.99Å; P324-I455 HydrophobicContact CB-CD1 4.21Å; P324-I455 HydrophobicContact CG-CD1 3.93Å
325	E	98.6	Very high	98.4	Very high	56 Å²	56	48 Å²	48	26%	0.262	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-24.1	170.1	72	-74.8	179.1	0	0	113.7	I321 G323 H327 P328 L329 W395	I321-E325 HydrophobicContact CG2-CG 4.06Å; G323-E325 VanDerWaalsContact CA-OE2 3.27Å; G323-E325 WeakPolarHBondContact CA-OE2 3.45Å; G323-E325 PolarHBondContact O-N 2.89Å; E325-H327 PolarHBondContact O-N 3.29Å; E325-P328 VanDerWaalsContact O-CD 3.31Å; E325-P328 WeakPolarHBondContact O-CD 3.28Å; E325-P328 WeakPolarHBondContact O-CG 3.46Å; E325-L329 WeakPolarHBondContact O-CB 3.42Å; E325-L329 WeakPolarHBondContact O-CD1 3.36Å; E325-L329 WeakPolarHBondContact O-CG 3.37Å; E325-L329 PolarHBondContact O-N 3.04Å; E325-W395 HydrophobicContact CB-CD2 4.23Å; E325-W395 HydrophobicContact CB-CG 4.37Å; E325-W395 HydrophobicContact CB-CZ2 4.28Å
326	G	98.6	Very high	98.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-63	-27.6	171.4	0	0	0	0	0	113	G323 P324 L329 S330 F452	G323-G326 PolarHBondContact O-N 3.14Å; P324-G326 PolarHBondContact O-N 3.03Å; G326-L329 PolarHBondContact O-N 3.44Å; G326-S330 VanDerWaalsContact O-CB 3.3Å; G326-S330 WeakPolarHBondContact O-CB 3.46Å; G326-S330 PolarHBondContact O-N 3.31Å; G326-S330 PolarHBondContact O-OG 3.14Å; G326-F452 VanDerWaalsContact O-CE2 3.3Å; G326-F452 WeakPolarHBondContact O-CE2 3.35Å; G326-F452 WeakPolarHBondContact O-CZ 3.31Å
327	H	98.5	Very high	98.4	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-63	-61.1	-179.2	-170.4	79.6	0	0	0	112.8	P324 E325 L329 S330 R331 T407 F452 E457	P324-H327 VanDerWaalsContact O-CB 3.26Å; P324-H327 WeakPolarHBondContact O-CB 3.49Å; P324-H327 PolarHBondContact O-N 2.89Å; P324-H327 VanDerWaalsContact O-N 3.09Å; E325-H327 PolarHBondContact O-N 3.29Å; H327-L329 VanDerWaalsContact C-N 3.3Å; H327-L329 PolarHBondContact O-N 3.42Å; H327-S330 PolarHBondContact O-N 3.36Å; H327-S330 VanDerWaalsContact O-N 3.15Å; H327-S330 PolarHBondContact O-OG 3.4Å; H327-R331 PolarHBondContact CE1-NH1 3.21Å; H327-R331 PolarHBondContact CE1-NH2 3.27Å; H327-R331 PolarHBondContact O-N 2.95Å; H327-T407 PolarHBondContact NE2-O 3.4Å; H327-F452 HydrophobicContact CB-CD2 3.84Å; H327-F452 HydrophobicContact CB-CE2 4.42Å; H327-F452 VanDerWaalsContact N-CD2 3.31Å; H327-E457 IonicContact CE1-OE1 3.33Å
328	P	98.2	Very high	98.4	Very high	10 Å²	10	44.8 Å²	44.8	7%	0.065	24%	0.242	C	C	.	.	H	α-helix	trans	-63.1	-33.4	175.4	29.7	-39.2	0	0	0	112.9	P324 E325 S330 R331 Y394 W395 P410	P324-P328 VanDerWaalsContact O-CD 3.26Å; P324-P328 WeakPolarHBondContact O-CD 3.35Å; E325-P328 VanDerWaalsContact O-CD 3.31Å; E325-P328 WeakPolarHBondContact O-CD 3.28Å; E325-P328 WeakPolarHBondContact O-CG 3.46Å; P328-S330 PolarHBondContact O-N 2.81Å; P328-R331 CarbonylContact O-C 3.57Å; P328-R331 VanDerWaalsContact O-C 3.31Å; P328-R331 PolarHBondContact O-N 3.29Å; P328-Y394 HydrophobicContact CB-CD2 3.94Å; P328-Y394 HydrophobicContact CB-CE2 4.11Å; P328-Y394 HydrophobicContact CG-CD2 3.51Å; P328-Y394 HydrophobicContact CG-CE2 4.11Å; P328-Y394 HydrophobicContact CG-CG 3.83Å; P328-W395 HydrophobicContact CB-CH2 4.4Å; P328-W395 HydrophobicContact CG-CH2 3.75Å; P328-W395 HydrophobicContact CG-CZ3 4.06Å; P328-P410 HydrophobicContact CB-CB 4.01Å; P328-P410 HydrophobicContact CB-CG 4.39Å
329	L	98.4	Very high	98.4	Very high	75 Å²	75	37 Å²	37	39%	0.393	21%	0.206	S	C	.	.	H	α-helix	trans	-62.7	-33.3	176	-71.8	172.8	0	0	0	112	I316 I321 E325 G326 H327 R331 W395	I316-L329 HydrophobicContact CD1-CB 3.66Å; I316-L329 WeakPolarHBondContact CD1-O 3.47Å; I321-L329 HydrophobicContact CD1-CD1 4.38Å; E325-L329 WeakPolarHBondContact O-CB 3.42Å; E325-L329 WeakPolarHBondContact O-CD1 3.36Å; E325-L329 WeakPolarHBondContact O-CG 3.37Å; E325-L329 PolarHBondContact O-N 3.04Å; G326-L329 PolarHBondContact O-N 3.44Å; H327-L329 VanDerWaalsContact C-N 3.3Å; H327-L329 PolarHBondContact O-N 3.42Å; L329-R331 VanDerWaalsContact C-N 3.33Å; L329-W395 HydrophobicContact CD2-CZ2 4.28Å; L329-W395 HydrophobicContact CG-CZ2 4.19Å
330	S	98.3	Very high	98.4	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-81.1	-11.7	178.8	72.7	0	0	0	0	114.4	Q313 G326 H327 P328	Q313-S330 WeakPolarHBondContact CG-OG 3.42Å; G326-S330 VanDerWaalsContact O-CB 3.3Å; G326-S330 WeakPolarHBondContact O-CB 3.46Å; G326-S330 PolarHBondContact O-N 3.31Å; G326-S330 PolarHBondContact O-OG 3.14Å; H327-S330 PolarHBondContact O-N 3.36Å; H327-S330 VanDerWaalsContact O-N 3.15Å; H327-S330 PolarHBondContact O-OG 3.4Å; P328-S330 PolarHBondContact O-N 2.81Å
331	R	97.9	Very high	98.4	Very high	13 Å²	13	34.2 Å²	34.2	5%	0.049	18%	0.175	C	C	.	.	S	Bend	trans	-139.5	57.8	-174.9	-38.3	-169.8	-174.3	173.1	6.9	110.7	E304 I309 Q313 H327 P328 L329 S408 P410 E457	E304-R331 WeakPolarHBondContact OE1-CD 3.44Å; I309-R331 HydrophobicContact CD1-CG 4.19Å; I309-R331 HydrophobicContact CG1-CB 4.3Å; I309-R331 HydrophobicContact CG1-CG 3.89Å; I309-R331 HydrophobicContact CG2-CG 4.01Å; Q313-R331 VanDerWaalsContact NE2-NH2 3.14Å; H327-R331 PolarHBondContact CE1-NH1 3.21Å; H327-R331 PolarHBondContact CE1-NH2 3.27Å; H327-R331 PolarHBondContact O-N 2.95Å; P328-R331 CarbonylContact O-C 3.57Å; P328-R331 VanDerWaalsContact O-C 3.31Å; P328-R331 PolarHBondContact O-N 3.29Å; L329-R331 VanDerWaalsContact C-N 3.33Å; R331-S408 PolarHBondContact NH1-OG 2.72Å; R331-P410 HydrophobicContact CB-CG 4.08Å; R331-P410 WeakPolarHBondContact O-CG 3.3Å; R331-E457 IonicContact CZ-OE1 3.67Å; R331-E457 VanDerWaalsContact CZ-OE1 3.26Å; R331-E457 IonicContact NH1-OE1 2.65Å; R331-E457 PolarHBondContact NH1-OE1 2.8Å; R331-E457 IonicContact NH1-OE2 3.92Å; R331-E457 IonicContact NH2-OE1 2.81Å; R331-E457 PolarHBondContact NH2-OE1 2.78Å
332	P	97.3	Very high	98.5	Very high	47 Å²	47	34.1 Å²	34.1	31%	0.305	17%	0.172	S	C	.	.			trans	-66.1	157.2	179.8	31.6	-35.6	0	0	0	110.2	E334 L335	P332-E334 WeakPolarHBondContact CB-OE2 3.24Å; P332-E334 WeakPolarHBondContact CG-OE2 3.4Å; P332-E334 PolarHBondContact O-N 2.77Å; P332-L335 HydrophobicContact CG-CD1 4.04Å; P332-L335 PolarHBondContact O-N 2.77Å
333	E	97.8	Very high	98.5	Very high	59 Å²	59	31.6 Å²	31.6	28%	0.276	16%	0.156	S	C	.	.	H	α-helix	trans	-61.6	-18.9	-164.8	56.8	167.4	-103.6	0	0	115.2	L335 E336 A337 S361 S363 S412	E333-L335 PolarHBondContact O-N 3.05Å; E333-E336 PolarHBondContact O-N 3.16Å; E333-A337 PolarHBondContact O-N 3.46Å; E333-S361 VanDerWaalsContact CB-CB 3.43Å; E333-S363 WeakPolarHBondContact OE1-CB 3.34Å; E333-S363 PolarHBondContact OE1-OG 2.79Å; E333-S412 PolarHBondContact OE2-OG 3.27Å
334	E	98.3	Very high	98.5	Very high	124 Å²	124	31.5 Å²	31.5	58%	0.579	15%	0.153	S	C	*	.	H	α-helix	trans	-62.6	-27.6	174.1	-50.5	89.3	-178.4	0	0	112.5	P332 E338	P332-E334 WeakPolarHBondContact CB-OE2 3.24Å; P332-E334 WeakPolarHBondContact CG-OE2 3.4Å; P332-E334 PolarHBondContact O-N 2.77Å; E334-E338 VanDerWaalsContact O-CB 3.28Å; E334-E338 WeakPolarHBondContact O-CB 3.23Å; E334-E338 PolarHBondContact O-N 2.99Å
335	L	98.6	Very high	98.5	Very high	17 Å²	17	34.5 Å²	34.5	9%	0.089	17%	0.171	C	C	.	.	H	α-helix	trans	-76.4	-29.5	178.6	-80.2	58.8	0	0	0	112.2	E304 N305 L308 I309 P332 E333 A339	E304-L335 WeakPolarHBondContact CA-O 3.21Å; N305-L335 HydrophobicContact CB-CB 4.16Å; N305-L335 HydrophobicContact CB-CG 4.14Å; N305-L335 PolarHBondContact N-O 3.03Å; L308-L335 HydrophobicContact CB-CD2 3.55Å; L308-L335 HydrophobicContact CB-CG 3.92Å; L308-L335 HydrophobicContact CD1-CD1 4.21Å; L308-L335 HydrophobicContact CD1-CG 4.1Å; I309-L335 HydrophobicContact CG1-CD2 3.95Å; P332-L335 HydrophobicContact CG-CD1 4.04Å; P332-L335 PolarHBondContact O-N 2.77Å; E333-L335 PolarHBondContact O-N 3.05Å; L335-A339 WeakPolarHBondContact O-CB 3.25Å; L335-A339 PolarHBondContact O-N 3.45Å
336	E	98.8	Very high	98.5	Very high	9 Å²	9	33 Å²	33	4%	0.042	17%	0.165	C	C	.	.	H	α-helix	trans	-70.3	-51.4	168.7	-169.5	-165.4	173.2	0	0	109.2	A303 E333 E338 A339 V340 V359 M360 S361 A364 P409	A303-E336 WeakPolarHBondContact O-CA 3.3Å; E333-E336 PolarHBondContact O-N 3.16Å; E336-E338 PolarHBondContact O-N 3.26Å; E336-A339 PolarHBondContact O-N 3.23Å; E336-V340 HydrophobicContact CG-CG2 4.43Å; E336-V340 WeakPolarHBondContact O-CB 3.34Å; E336-V340 VanDerWaalsContact O-CG2 3.29Å; E336-V340 WeakPolarHBondContact O-CG2 3.48Å; E336-V340 PolarHBondContact O-N 3.28Å; E336-V359 WeakPolarHBondContact OE1-CA 3.06Å; E336-M360 PolarHBondContact OE1-N 3.09Å; E336-S361 WeakPolarHBondContact OE2-CB 3.48Å; E336-S361 PolarHBondContact OE2-N 3.29Å; E336-S361 VanDerWaalsContact OE2-N 3.07Å; E336-S361 PolarHBondContact OE2-OG 3.14Å; E336-A364 HydrophobicContact CB-CB 4.38Å; E336-A364 HydrophobicContact CG-CB 3.7Å; E336-A364 VanDerWaalsContact OE1-CB 3.32Å; E336-A364 WeakPolarHBondContact OE1-CB 3.47Å; E336-P409 HydrophobicContact CG-CB 4.28Å; E336-P409 HydrophobicContact CG-CG 3.95Å
337	A	98.8	Very high	98.5	Very high	13 Å²	13	33 Å²	33	11%	0.107	17%	0.165	C	C	.	.	H	α-helix	trans	-60.8	-41	-177.5	0	0	0	0	0	113.5	E333 F341	E333-A337 PolarHBondContact O-N 3.46Å; A337-F341 WeakPolarHBondContact O-CB 3.31Å; A337-F341 PolarHBondContact O-N 3.07Å
338	E	98.8	Very high	98.4	Very high	65 Å²	65	35.8 Å²	35.8	30%	0.304	18%	0.18	S	C	.	.	H	α-helix	trans	-60.7	-51.3	174.5	-173.6	-74.7	131.9	0	0	111.4	N305 E334 E336 V340 F341 R342	N305-E338 PolarHBondContact ND2-OE2 3.36Å; E334-E338 VanDerWaalsContact O-CB 3.28Å; E334-E338 WeakPolarHBondContact O-CB 3.23Å; E334-E338 PolarHBondContact O-N 2.99Å; E336-E338 PolarHBondContact O-N 3.26Å; E338-V340 VanDerWaalsContact C-N 3.34Å; E338-V340 PolarHBondContact O-N 2.86Å; E338-F341 WeakPolarHBondContact O-CB 3.35Å; E338-F341 PolarHBondContact O-N 3.38Å; E338-R342 WeakPolarHBondContact O-CB 3.27Å; E338-R342 PolarHBondContact O-N 2.79Å; E338-R342 IonicContact OE1-CZ 2.59Å; E338-R342 IonicContact OE1-NE 2.78Å; E338-R342 PolarHBondContact OE1-NE 2.89Å; E338-R342 IonicContact OE1-NH2 3.77Å; E338-R342 IonicContact OE2-CZ 3.98Å; E338-R342 IonicContact OE2-NE 2.65Å; E338-R342 PolarHBondContact OE2-NE 3.15Å; E338-R342 IonicContact OE2-NH2 2.83Å; E338-R342 PolarHBondContact OE2-NH2 3.06Å
339	A	98.9	Very high	98.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.7	-39.8	-178.2	0	0	0	0	0	111.5	M272 A303 E304 L335 E336 R342 A343	M272-A339 HydrophobicContact CB-CB 4.48Å; M272-A339 HydrophobicContact CE-CB 3.86Å; M272-A339 WeakPolarHBondContact CE-O 2.98Å; M272-A339 HydrophobicContact SD-CB 4.06Å; A303-A339 VanDerWaalsContact C-CB 3.41Å; A303-A339 HydrophobicContact CB-CB 4.04Å; E304-A339 VanDerWaalsContact C-CB 3.44Å; L335-A339 WeakPolarHBondContact O-CB 3.25Å; L335-A339 PolarHBondContact O-N 3.45Å; E336-A339 PolarHBondContact O-N 3.23Å; A339-R342 PolarHBondContact O-N 2.93Å; A339-A343 WeakPolarHBondContact O-CB 3.34Å; A339-A343 PolarHBondContact O-N 2.64Å
340	V	98.9	Very high	98.2	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-60.6	-45.8	173	168.1	0	0	0	0	111.2	A303 E336 E338 R342 I344 I356 A364 T367 I368	A303-V340 HydrophobicContact CB-CG2 3.64Å; E336-V340 HydrophobicContact CG-CG2 4.43Å; E336-V340 WeakPolarHBondContact O-CB 3.34Å; E336-V340 VanDerWaalsContact O-CG2 3.29Å; E336-V340 WeakPolarHBondContact O-CG2 3.48Å; E336-V340 PolarHBondContact O-N 3.28Å; E338-V340 VanDerWaalsContact C-N 3.34Å; E338-V340 PolarHBondContact O-N 2.86Å; V340-R342 VanDerWaalsContact C-N 3.34Å; V340-R342 PolarHBondContact O-N 3.39Å; V340-I344 HydrophobicContact CG1-CD1 3.76Å; V340-I344 WeakPolarHBondContact O-CB 3.19Å; V340-I344 WeakPolarHBondContact O-CD1 3.18Å; V340-I344 WeakPolarHBondContact O-CG1 3.31Å; V340-I344 PolarHBondContact O-N 3.18Å; V340-I356 HydrophobicContact CG1-CD1 4.46Å; V340-I356 HydrophobicContact CG1-CG1 4.28Å; V340-I356 HydrophobicContact CG2-CD1 4.45Å; V340-I356 HydrophobicContact CG2-CG2 3.74Å; V340-A364 HydrophobicContact CG2-CB 4.18Å; V340-T367 HydrophobicContact CG1-CG2 3.89Å; V340-I368 HydrophobicContact CG1-CD1 4.33Å; V340-I368 HydrophobicContact CG1-CG1 3.73Å
341	F	98.8	Very high	98.1	Very high	123 Å²	123	39.6 Å²	39.6	54%	0.539	19%	0.191	S	C	.	.	H	α-helix	trans	-60	-43.4	175.7	173.5	-97.9	0	0	0	112.1	A337 E338 T345 T367	A337-F341 WeakPolarHBondContact O-CB 3.31Å; A337-F341 PolarHBondContact O-N 3.07Å; E338-F341 WeakPolarHBondContact O-CB 3.35Å; E338-F341 PolarHBondContact O-N 3.38Å; F341-T345 WeakPolarHBondContact O-CB 3.43Å; F341-T345 PolarHBondContact O-N 3.46Å; F341-T345 PolarHBondContact O-OG1 3.3Å; F341-T367 HydrophobicContact CB-CG2 3.72Å; F341-T367 HydrophobicContact CD2-CG2 4.38Å
342	R	98.8	Very high	98	Very high	40 Å²	40	39.1 Å²	39.1	15%	0.151	19%	0.189	C	C	.	.	H	α-helix	trans	-68.9	-45.4	180	179	156.4	50.3	95.4	1.6	112.2	M272 D282 N305 E338 A339 V340 I344 T345 L346	M272-R342 HydrophobicContact CE-CB 4.09Å; M272-R342 HydrophobicContact CE-CG 4.03Å; D282-R342 WeakPolarHBondContact OD1-CD 3.46Å; D282-R342 IonicContact OD1-CZ 3.72Å; D282-R342 IonicContact OD1-NE 2.85Å; D282-R342 IonicContact OD1-NH1 3.8Å; D282-R342 PolarHBondContact OD1-NH1 2.79Å; D282-R342 WeakPolarHBondContact OD2-CD 3.19Å; N305-R342 PolarHBondContact ND2-NH2 2.85Å; E338-R342 WeakPolarHBondContact O-CB 3.27Å; E338-R342 PolarHBondContact O-N 2.79Å; E338-R342 IonicContact OE1-CZ 2.59Å; E338-R342 IonicContact OE1-NE 2.78Å; E338-R342 PolarHBondContact OE1-NE 2.89Å; E338-R342 IonicContact OE1-NH2 3.77Å; E338-R342 IonicContact OE2-CZ 3.98Å; E338-R342 IonicContact OE2-NE 2.65Å; E338-R342 PolarHBondContact OE2-NE 3.15Å; E338-R342 IonicContact OE2-NH2 2.83Å; E338-R342 PolarHBondContact OE2-NH2 3.06Å; A339-R342 PolarHBondContact O-N 2.93Å; V340-R342 VanDerWaalsContact C-N 3.34Å; V340-R342 PolarHBondContact O-N 3.39Å; R342-I344 PolarHBondContact O-N 3.24Å; R342-T345 WeakPolarHBondContact O-CB 3.41Å; R342-T345 PolarHBondContact O-N 3.1Å; R342-T345 VanDerWaalsContact O-N 3.11Å; R342-L346 HydrophobicContact CG-CD1 4.4Å; R342-L346 WeakPolarHBondContact O-CG 3.26Å; R342-L346 PolarHBondContact O-N 3.05Å
343	A	98.8	Very high	98	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-55.6	-49.2	172.7	0	0	0	0	0	111.8	M272 F289 V301 A339 T345 L346 G347 I356	M272-A343 HydrophobicContact SD-CB 3.79Å; F289-A343 WeakPolarHBondContact CE2-O 3.05Å; V301-A343 HydrophobicContact CG1-CB 4.16Å; V301-A343 HydrophobicContact CG2-CB 4.46Å; A339-A343 WeakPolarHBondContact O-CB 3.34Å; A339-A343 PolarHBondContact O-N 2.64Å; A343-T345 VanDerWaalsContact C-N 3.29Å; A343-T345 PolarHBondContact O-N 3.05Å; A343-L346 PolarHBondContact O-N 3.49Å; A343-G347 PolarHBondContact O-N 3.2Å; A343-I356 HydrophobicContact CB-CD1 4.25Å
344	I	98.8	Very high	98	Very high	7 Å²	7	34.2 Å²	34.2	4%	0.036	16%	0.162	C	C	.	.	H	α-helix	trans	-59.9	-40.3	176.4	-72.7	169.2	0	0	0	111.3	V340 R342 N348 T367 I368 A371 V378	V340-I344 HydrophobicContact CG1-CD1 3.76Å; V340-I344 WeakPolarHBondContact O-CB 3.19Å; V340-I344 WeakPolarHBondContact O-CD1 3.18Å; V340-I344 WeakPolarHBondContact O-CG1 3.31Å; V340-I344 PolarHBondContact O-N 3.18Å; R342-I344 PolarHBondContact O-N 3.24Å; I344-N348 WeakPolarHBondContact CG2-ND2 3.4Å; I344-N348 VanDerWaalsContact O-CB 3.23Å; I344-N348 WeakPolarHBondContact O-CB 3.39Å; I344-N348 VanDerWaalsContact O-CG 3.3Å; I344-N348 PolarHBondContact O-N 3.26Å; I344-N348 PolarHBondContact O-ND2 2.94Å; I344-N348 VanDerWaalsContact O-ND2 3.12Å; I344-T367 HydrophobicContact CD1-CG2 4.4Å; I344-I368 HydrophobicContact CD1-CG1 4.22Å; I344-A371 HydrophobicContact CD1-CB 3.91Å; I344-A371 HydrophobicContact CG2-CB 3.58Å; I344-V378 HydrophobicContact CD1-CB 4.45Å; I344-V378 HydrophobicContact CD1-CG1 4.34Å; I344-V378 HydrophobicContact CD1-CG2 3.95Å; I344-V378 HydrophobicContact CG1-CB 4.21Å; I344-V378 HydrophobicContact CG1-CG2 3.81Å
345	T	98.8	Very high	98	Very high	65 Å²	65	28.3 Å²	28.3	40%	0.399	14%	0.135	S	C	.	.	H	α-helix	trans	-65.3	-46.3	179.7	-64.7	0	0	0	0	111.7	F341 R342 A343 R349	F341-T345 WeakPolarHBondContact O-CB 3.43Å; F341-T345 PolarHBondContact O-N 3.46Å; F341-T345 PolarHBondContact O-OG1 3.3Å; R342-T345 WeakPolarHBondContact O-CB 3.41Å; R342-T345 PolarHBondContact O-N 3.1Å; R342-T345 VanDerWaalsContact O-N 3.11Å; A343-T345 VanDerWaalsContact C-N 3.29Å; A343-T345 PolarHBondContact O-N 3.05Å; T345-R349 WeakPolarHBondContact O-CB 3.44Å; T345-R349 PolarHBondContact O-N 3.34Å
346	L	98.6	Very high	98	Very high	24 Å²	24	27.5 Å²	27.5	13%	0.126	13%	0.131	C	C	.	.	H	α-helix	trans	-62.4	-47.8	175.2	-66.2	174.4	0	0	0	111.2	D282 L285 F289 R342 A343 N348 R349 V350	D282-L346 HydrophobicContact CB-CD1 4.35Å; L285-L346 HydrophobicContact CB-CD1 3.83Å; L285-L346 HydrophobicContact CD1-CD1 4.08Å; F289-L346 HydrophobicContact CD2-CB 3.92Å; F289-L346 HydrophobicContact CE2-CB 3.74Å; R342-L346 HydrophobicContact CG-CD1 4.4Å; R342-L346 WeakPolarHBondContact O-CG 3.26Å; R342-L346 PolarHBondContact O-N 3.05Å; A343-L346 PolarHBondContact O-N 3.49Å; L346-N348 PolarHBondContact O-N 3.03Å; L346-R349 PolarHBondContact O-N 3.32Å; L346-R349 VanDerWaalsContact O-N 3.08Å; L346-V350 WeakPolarHBondContact O-CG2 3.27Å; L346-V350 PolarHBondContact O-N 2.86Å
347	G	97.8	Very high	98	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.5	-43.6	178.6	0	0	0	0	0	112.8	A343 R349 V350 N351 C352	A343-G347 PolarHBondContact O-N 3.2Å; G347-R349 VanDerWaalsContact C-N 3.33Å; G347-R349 PolarHBondContact O-N 3.01Å; G347-V350 PolarHBondContact O-N 2.73Å; G347-N351 WeakPolarHBondContact O-CA 3.5Å; G347-N351 PolarHBondContact O-N 3.07Å; G347-C352 PolarHBondContact O-N 3.35Å
348	N	96.8	Very high	98	Very high	61 Å²	61	27.6 Å²	27.6	33%	0.326	13%	0.129	S	C	.	.	H	α-helix	trans	-61.7	-38.4	173.2	-83.6	-39.1	0	0	0	112.7	I344 L346 V350 N351 S376	I344-N348 WeakPolarHBondContact CG2-ND2 3.4Å; I344-N348 VanDerWaalsContact O-CB 3.23Å; I344-N348 WeakPolarHBondContact O-CB 3.39Å; I344-N348 VanDerWaalsContact O-CG 3.3Å; I344-N348 PolarHBondContact O-N 3.26Å; I344-N348 PolarHBondContact O-ND2 2.94Å; I344-N348 VanDerWaalsContact O-ND2 3.12Å; L346-N348 PolarHBondContact O-N 3.03Å; N348-V350 VanDerWaalsContact C-N 3.34Å; N348-N351 PolarHBondContact O-N 3.38Å; N348-S376 PolarHBondContact ND2-OG 2.93Å; N348-S376 WeakPolarHBondContact OD1-CB 3.47Å; N348-S376 PolarHBondContact OD1-OG 3.03Å
349	R	96.3	Very high	98	Very high	137 Å²	137	24.5 Å²	24.5	52%	0.517	11%	0.114	S	C	.	.	H	α-helix	trans	-70.8	-29.1	-179.8	-179.8	55.4	-171.3	67.8	14.6	112.7	Y286 T345 L346 G347	Y286-R349 HydrophobicContact CE2-CG 3.94Å; Y286-R349 PolarHBondContact OH-NH1 3.31Å; T345-R349 WeakPolarHBondContact O-CB 3.44Å; T345-R349 PolarHBondContact O-N 3.34Å; L346-R349 PolarHBondContact O-N 3.32Å; L346-R349 VanDerWaalsContact O-N 3.08Å; G347-R349 VanDerWaalsContact C-N 3.33Å; G347-R349 PolarHBondContact O-N 3.01Å
350	V	95.9	Very high	97.9	Very high	14 Å²	14	24.6 Å²	24.6	9%	0.085	11%	0.114	C	C	.	.	H	α-helix	trans	-84.4	-22.1	171.3	177	0	0	0	0	112.2	Y286 F289 S290 K293 L346 G347 N348 C352	Y286-V350 HydrophobicContact CD2-CG2 3.53Å; Y286-V350 HydrophobicContact CE2-CG2 3.38Å; Y286-V350 HydrophobicContact CG-CG2 4.26Å; F289-V350 HydrophobicContact CB-CB 4.37Å; F289-V350 HydrophobicContact CB-CG1 4.27Å; F289-V350 HydrophobicContact CB-CG2 4.07Å; S290-V350 WeakPolarHBondContact OG-CG2 3.44Å; K293-V350 HydrophobicContact CD-CG1 3.94Å; K293-V350 PolarHBondContact NZ-O 2.56Å; L346-V350 WeakPolarHBondContact O-CG2 3.27Å; L346-V350 PolarHBondContact O-N 2.86Å; G347-V350 PolarHBondContact O-N 2.73Å; N348-V350 VanDerWaalsContact C-N 3.34Å; V350-C352 HydrophobicContact CB-CB 4.3Å; V350-C352 HydrophobicContact CG1-CB 3.97Å
351	N	95.9	Very high	97.9	Very high	14 Å²	14	24.6 Å²	24.6	8%	0.075	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	49.3	-163.9	-169.9	36.4	0	0	0	112.3	K293 G347 N348 V586 R589 N590	K293-N351 VanDerWaalsContact CD-O 3.31Å; K293-N351 WeakPolarHBondContact CD-O 3.38Å; K293-N351 WeakPolarHBondContact CE-O 3.37Å; K293-N351 PolarHBondContact NZ-O 2.87Å; G347-N351 WeakPolarHBondContact O-CA 3.5Å; G347-N351 PolarHBondContact O-N 3.07Å; N348-N351 PolarHBondContact O-N 3.38Å; N351-V586 PolarHBondContact ND2-O 2.96Å; N351-V586 VanDerWaalsContact O-CG1 3.31Å; N351-V586 WeakPolarHBondContact O-CG1 3.34Å; N351-R589 VanDerWaalsContact OD1-CD 3.31Å; N351-R589 WeakPolarHBondContact OD1-CD 3.29Å; N351-R589 PolarHBondContact OD1-NH1 3.41Å; N351-N590 PolarHBondContact ND2-OD1 2.81Å
352	C	96.9	Very high	97.9	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.014	10%	0.098	C	C	.	.			trans	-103.9	143.6	174.1	-171.1	0	0	0	0	110.1	F289 K293 G347 V350	F289-C352 HydrophobicContact CB-CB 4.4Å; K293-C352 HydrophobicContact CB-CB 4.1Å; K293-C352 HydrophobicContact CD-CB 4.37Å; K293-C352 HydrophobicContact CG-CB 4.41Å; G347-C352 PolarHBondContact O-N 3.35Å; V350-C352 HydrophobicContact CB-CB 4.3Å; V350-C352 HydrophobicContact CG1-CB 3.97Å
353	P	96.9	Very high	97.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.101	C	C	.	.			trans	-65	127.1	165.4	-16.5	30.7	0	0	0	111.6	V377 A582 Y583 V586	P353-V377 WeakPolarHBondContact CA-O 3.35Å; P353-V377 HydrophobicContact CB-CG1 3.61Å; P353-V377 HydrophobicContact CG-CG1 3.92Å; P353-A582 HydrophobicContact CB-CB 4.03Å; P353-A582 HydrophobicContact CG-CB 4Å; P353-Y583 HydrophobicContact CG-CD2 4.1Å; P353-Y583 HydrophobicContact CG-CE1 4.18Å; P353-Y583 HydrophobicContact CG-CE2 3.7Å; P353-Y583 HydrophobicContact CG-CG 4.49Å; P353-V586 HydrophobicContact CG-CG2 4.05Å
354	V	98.1	Very high	97.9	Very high	3 Å²	3	20.3 Å²	20.3	2%	0.018	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	140.9	174.7	179.4	0	0	0	0	109.6	F289 V301 I356 V377 V378 F379	F289-V354 HydrophobicContact CE2-CG2 4.13Å; F289-V354 HydrophobicContact CZ-CG2 4.27Å; V301-V354 HydrophobicContact CG2-CG1 3.95Å; V354-I356 HydrophobicContact CG1-CD1 3.72Å; V354-V377 PolarHBondContact N-O 2.85Å; V354-V378 HydrophobicContact CB-CG2 4.47Å; V354-V378 CarbonylContact O-C 3.56Å; V354-V378 VanDerWaalsContact O-CA 3.24Å; V354-V378 WeakPolarHBondContact O-CA 3.48Å; V354-F379 PolarHBondContact O-N 3.23Å
355	Y	98.8	Very high	97.9	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	116.3	176.3	-176	-74.5	0	0	0	108.3	V176 V298 V299 L300 V301 T357 F379 E381 I495 F496	V176-Y355 WeakPolarHBondContact CG2-OH 3.2Å; V298-Y355 HydrophobicContact CG1-CD2 4.31Å; V298-Y355 HydrophobicContact CG1-CG 4.33Å; V299-Y355 PolarHBondContact O-N 2.82Å; L300-Y355 CarbonylContact C-O 3.53Å; L300-Y355 VanDerWaalsContact CA-O 3.31Å; L300-Y355 WeakPolarHBondContact CA-O 3.31Å; L300-Y355 HydrophobicContact CB-CD1 4.47Å; L300-Y355 HydrophobicContact CD2-CD1 4.42Å; L300-Y355 HydrophobicContact CG-CD1 3.83Å; L300-Y355 HydrophobicContact CG-CE1 4.46Å; L300-Y355 HydrophobicContact CG-CG 4.28Å; V301-Y355 PolarHBondContact N-O 3.38Å; Y355-T357 HydrophobicContact CD1-CG2 3.93Å; Y355-T357 HydrophobicContact CE1-CG2 3.96Å; Y355-F379 HydrophobicContact CD2-CB 3.6Å; Y355-F379 HydrophobicContact CD2-CD2 4.36Å; Y355-F379 HydrophobicContact CD2-CG 4.27Å; Y355-F379 HydrophobicContact CE2-CB 4.19Å; Y355-F379 HydrophobicContact CG-CB 4.26Å; Y355-E381 HydrophobicContact CE1-CB 3.81Å; Y355-E381 HydrophobicContact CE1-CG 4.45Å; Y355-E381 WeakPolarHBondContact CE1-OE2 3.42Å; Y355-E381 VanDerWaalsContact CZ-OE2 3.29Å; Y355-E381 WeakPolarHBondContact OH-CB 3.43Å; Y355-E381 PolarHBondContact OH-OE2 3.14Å; Y355-I495 HydrophobicContact CD2-CG2 4.06Å; Y355-I495 HydrophobicContact CE2-CD1 4.14Å; Y355-I495 HydrophobicContact CE2-CG2 4.16Å; Y355-F496 HydrophobicContact CD2-CZ 4.2Å; Y355-F496 HydrophobicContact CE2-CE2 4.1Å; Y355-F496 AromaticContact CE2-CZ 3.82Å; Y355-F496 HydrophobicContact CE2-CZ 3.82Å
356	I	98.8	Very high	97.9	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	111.7	179.6	-53.6	-58.6	0	0	0	108.4	V301 V340 A343 V354 V359 I368 V378 F379 E381	V301-I356 HydrophobicContact CB-CD1 4.36Å; V340-I356 HydrophobicContact CG1-CD1 4.46Å; V340-I356 HydrophobicContact CG1-CG1 4.28Å; V340-I356 HydrophobicContact CG2-CD1 4.45Å; V340-I356 HydrophobicContact CG2-CG2 3.74Å; A343-I356 HydrophobicContact CB-CD1 4.25Å; V354-I356 HydrophobicContact CG1-CD1 3.72Å; I356-V359 HydrophobicContact CB-CG2 4.28Å; I356-V359 HydrophobicContact CG2-CG2 3.85Å; I356-I368 HydrophobicContact CB-CD1 3.89Å; I356-I368 HydrophobicContact CG1-CD1 3.97Å; I356-I368 HydrophobicContact CG1-CG1 4.17Å; I356-I368 HydrophobicContact CG2-CD1 4.12Å; I356-V378 HydrophobicContact CG1-CG2 3.99Å; I356-F379 PolarHBondContact N-O 3.17Å; I356-E381 PolarHBondContact O-N 2.51Å
357	T	98.3	Very high	97.9	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.012	10%	0.096	C	C	.	.			trans	-79.9	146.1	175.6	61.4	0	0	0	0	110.8	Q269 L300 V301 Y355	Q269-T357 PolarHBondContact NE2-OG1 3.07Å; Q269-T357 VanDerWaalsContact NE2-OG1 3.09Å; L300-T357 HydrophobicContact CB-CG2 3.85Å; L300-T357 HydrophobicContact CD2-CG2 3.83Å; L300-T357 HydrophobicContact CG-CG2 4.08Å; V301-T357 PolarHBondContact O-N 3.11Å; V301-T357 VanDerWaalsContact O-N 3.12Å; V301-T357 PolarHBondContact O-OG1 3.45Å; V301-T357 VanDerWaalsContact O-OG1 3.05Å; Y355-T357 HydrophobicContact CD1-CG2 3.93Å; Y355-T357 HydrophobicContact CE1-CG2 3.96Å
358	K	98	Very high	97.9	Very high	22 Å²	22	19.7 Å²	19.7	10%	0.096	10%	0.096	C	C	.	.			trans	51.9	65.4	173.8	-56.5	177.3	-70.3	173.5	0	113	H302 M360 E381 I383 S408 P409 A436	H302-K358 PolarHBondContact ND1-NZ 2.94Å; K358-M360 WeakPolarHBondContact O-CG 3.28Å; K358-M360 PolarHBondContact O-N 2.89Å; K358-E381 CarbonylContact C-O 3.58Å; K358-E381 WeakPolarHBondContact CA-O 3.15Å; K358-E381 PolarHBondContact N-O 2.79Å; K358-E381 VanDerWaalsContact N-O 3.11Å; K358-I383 HydrophobicContact CG-CD1 4.42Å; K358-I383 HydrophobicContact CG-CG2 4.06Å; K358-S408 WeakPolarHBondContact CD-O 3.27Å; K358-S408 WeakPolarHBondContact CE-O 3.3Å; K358-S408 PolarHBondContact NZ-O 3.45Å; K358-P409 WeakPolarHBondContact O-CD 3.47Å; K358-P409 WeakPolarHBondContact O-CG 3.24Å; K358-A436 HydrophobicContact CD-CB 3.76Å; K358-A436 HydrophobicContact CG-CB 3.85Å
359	V	98.8	Very high	98	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.082	C	C	.	.			trans	-75.2	111	171	-178.1	0	0	0	0	108.7	E336 I356 A364 A365 I368 E381 P382 S386 L421 L430	E336-V359 WeakPolarHBondContact OE1-CA 3.06Å; I356-V359 HydrophobicContact CB-CG2 4.28Å; I356-V359 HydrophobicContact CG2-CG2 3.85Å; V359-A364 HydrophobicContact CG1-CB 4.34Å; V359-A365 HydrophobicContact CG1-CB 3.8Å; V359-I368 HydrophobicContact CG1-CD1 4.37Å; V359-I368 HydrophobicContact CG2-CD1 3.59Å; V359-E381 PolarHBondContact N-O 2.88Å; V359-P382 WeakPolarHBondContact O-CA 3.49Å; V359-S386 PolarHBondContact O-OG 3.35Å; V359-L421 HydrophobicContact CG1-CD2 4.18Å; V359-L430 HydrophobicContact CG1-CD2 4.42Å; V359-L430 HydrophobicContact CG2-CD2 4.47Å
360	M	98.3	Very high	98.1	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.005	8%	0.081	C	C	.	.			trans	-112.3	-18.7	-170.2	-57.9	-64.2	-71.7	0	0	114.2	E336 K358 I383 T407 P409 P410 L411 T417	E336-M360 PolarHBondContact OE1-N 3.09Å; K358-M360 WeakPolarHBondContact O-CG 3.28Å; K358-M360 PolarHBondContact O-N 2.89Å; M360-I383 HydrophobicContact CE-CD1 4.17Å; M360-I383 HydrophobicContact CE-CG1 4.46Å; M360-I383 HydrophobicContact SD-CD1 3.61Å; M360-I383 HydrophobicContact SD-CG1 3.6Å; M360-I383 VanDerWaalsContact SD-CG1 3.6Å; M360-T407 HydrophobicContact CE-CG2 4.02Å; M360-P409 HydrophobicContact CB-CB 4Å; M360-P409 HydrophobicContact CB-CG 4.46Å; M360-P409 HydrophobicContact CG-CB 3.73Å; M360-P409 HydrophobicContact CG-CG 3.91Å; M360-P409 WeakPolarHBondContact CG-O 3.49Å; M360-P410 WeakPolarHBondContact CB-O 3.39Å; M360-L411 HydrophobicContact CE-CB 4.49Å; M360-L411 HydrophobicContact CE-CD2 3.56Å; M360-L411 HydrophobicContact CE-CG 3.8Å; M360-T417 WeakPolarHBondContact O-CG2 3.39Å
361	S	98.3	Very high	98.2	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.007	8%	0.08	C	C	.	.	S	Bend	trans	-119.4	161.1	-178.6	66.7	0	0	0	0	114.2	E333 E336 S363 A364 A365	E333-S361 VanDerWaalsContact CB-CB 3.43Å; E336-S361 WeakPolarHBondContact OE2-CB 3.48Å; E336-S361 PolarHBondContact OE2-N 3.29Å; E336-S361 VanDerWaalsContact OE2-N 3.07Å; E336-S361 PolarHBondContact OE2-OG 3.14Å; S361-S363 PolarHBondContact OG-OG 3.15Å; S361-A364 VanDerWaalsContact OG-CB 3.26Å; S361-A364 WeakPolarHBondContact OG-CB 3.36Å; S361-A364 PolarHBondContact OG-N 2.9Å; S361-A365 WeakPolarHBondContact O-CB 3.41Å; S361-A365 PolarHBondContact O-N 2.72Å
362	K	98.5	Very high	98.3	Very high	42 Å²	42	17.4 Å²	17.4	18%	0.183	9%	0.087	C	C	.	.	H	α-helix	trans	-66	-43.6	173.5	-59.6	-179.7	-179.3	170.8	0	111.9	A364 A365 D366 D414 T416 T417 H420	K362-A364 PolarHBondContact O-N 2.88Å; K362-A365 PolarHBondContact O-N 2.81Å; K362-D366 WeakPolarHBondContact O-CB 3.45Å; K362-D366 PolarHBondContact O-N 3.41Å; K362-D414 WeakPolarHBondContact CE-OD2 3.42Å; K362-D414 IonicContact NZ-OD1 3.64Å; K362-D414 IonicContact NZ-OD2 2.86Å; K362-D414 PolarHBondContact NZ-OD2 2.66Å; K362-T416 VanDerWaalsContact CE-C 3.5Å; K362-T416 WeakPolarHBondContact CE-O 3.24Å; K362-T416 PolarHBondContact NZ-OG1 2.83Å; K362-T417 WeakPolarHBondContact CE-OG1 3.08Å; K362-T417 HydrophobicContact CG-CG2 4.15Å; K362-H420 HydrophobicContact CD-CB 4.2Å; K362-H420 HydrophobicContact CG-CB 3.96Å
363	S	98.4	Very high	98.3	Very high	31 Å²	31	25.8 Å²	25.8	22%	0.217	12%	0.118	C	C	.	.	H	α-helix	trans	-65.3	-37.6	-176.7	48.1	0	0	0	0	112.3	E333 S361 T367	E333-S363 WeakPolarHBondContact OE1-CB 3.34Å; E333-S363 PolarHBondContact OE1-OG 2.79Å; S361-S363 PolarHBondContact OG-OG 3.15Å; S363-T367 WeakPolarHBondContact O-CB 3.4Å; S363-T367 PolarHBondContact O-N 3.43Å; S363-T367 PolarHBondContact O-OG1 2.81Å
364	A	98.8	Very high	98.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-64.1	-47	169	0	0	0	0	0	112.5	E336 V340 V359 S361 K362 D366 T367 I368	E336-A364 HydrophobicContact CB-CB 4.38Å; E336-A364 HydrophobicContact CG-CB 3.7Å; E336-A364 VanDerWaalsContact OE1-CB 3.32Å; E336-A364 WeakPolarHBondContact OE1-CB 3.47Å; V340-A364 HydrophobicContact CG2-CB 4.18Å; V359-A364 HydrophobicContact CG1-CB 4.34Å; S361-A364 VanDerWaalsContact OG-CB 3.26Å; S361-A364 WeakPolarHBondContact OG-CB 3.36Å; S361-A364 PolarHBondContact OG-N 2.9Å; K362-A364 PolarHBondContact O-N 2.88Å; A364-D366 PolarHBondContact O-N 3.34Å; A364-T367 WeakPolarHBondContact O-CB 3.42Å; A364-T367 PolarHBondContact O-N 3.12Å; A364-I368 WeakPolarHBondContact O-CG1 3.1Å; A364-I368 PolarHBondContact O-N 2.54Å
365	A	98.8	Very high	98.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64.7	-38	179.6	0	0	0	0	0	113.1	V359 S361 K362 T367 I368 T369 L421 L424 L430	V359-A365 HydrophobicContact CG1-CB 3.8Å; S361-A365 WeakPolarHBondContact O-CB 3.41Å; S361-A365 PolarHBondContact O-N 2.72Å; K362-A365 PolarHBondContact O-N 2.81Å; A365-T367 VanDerWaalsContact C-N 3.33Å; A365-I368 PolarHBondContact O-N 3.38Å; A365-T369 WeakPolarHBondContact O-CB 3.38Å; A365-T369 PolarHBondContact O-N 3.28Å; A365-T369 PolarHBondContact O-OG1 3.4Å; A365-L421 HydrophobicContact CB-CD2 3.55Å; A365-L424 HydrophobicContact CB-CD1 3.46Å; A365-L424 VanDerWaalsContact CB-CD1 3.46Å; A365-L430 HydrophobicContact CB-CD1 4.22Å; A365-L430 HydrophobicContact CB-CD2 4.39Å
366	D	98.7	Very high	98.1	Very high	57 Å²	57	35.5 Å²	35.5	31%	0.305	17%	0.172	S	C	.	.	H	α-helix	trans	-67.6	-33.8	174.1	-76.2	-5.9	0	0	0	111.7	K362 A364 T369 Q370 H420	K362-D366 WeakPolarHBondContact O-CB 3.45Å; K362-D366 PolarHBondContact O-N 3.41Å; A364-D366 PolarHBondContact O-N 3.34Å; D366-T369 WeakPolarHBondContact O-CB 3.38Å; D366-T369 PolarHBondContact O-N 2.71Å; D366-Q370 WeakPolarHBondContact O-CB 3.2Å; D366-Q370 VanDerWaalsContact O-CG 3.24Å; D366-Q370 WeakPolarHBondContact O-CG 3.24Å; D366-Q370 PolarHBondContact O-N 3.49Å; D366-H420 IonicContact OD1-CD2 3.45Å; D366-H420 IonicContact OD1-CE1 3.56Å; D366-H420 PolarHBondContact OD1-CE1 3.11Å; D366-H420 IonicContact OD1-NE2 2.78Å; D366-H420 PolarHBondContact OD1-NE2 3.32Å; D366-H420 IonicContact OD2-NE2 2.69Å
367	T	98.8	Very high	98	Very high	25 Å²	25	35.6 Å²	35.6	15%	0.153	17%	0.173	C	C	.	.	H	α-helix	trans	-65.1	-44.4	174.4	-63	0	0	0	0	111.2	V340 F341 I344 S363 A364 A365 A371	V340-T367 HydrophobicContact CG1-CG2 3.89Å; F341-T367 HydrophobicContact CB-CG2 3.72Å; F341-T367 HydrophobicContact CD2-CG2 4.38Å; I344-T367 HydrophobicContact CD1-CG2 4.4Å; S363-T367 WeakPolarHBondContact O-CB 3.4Å; S363-T367 PolarHBondContact O-N 3.43Å; S363-T367 PolarHBondContact O-OG1 2.81Å; A364-T367 WeakPolarHBondContact O-CB 3.42Å; A364-T367 PolarHBondContact O-N 3.12Å; A365-T367 VanDerWaalsContact C-N 3.33Å; T367-A371 WeakPolarHBondContact O-CB 3.47Å; T367-A371 PolarHBondContact O-N 3.04Å
368	I	98.8	Very high	98.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59.7	-49.4	172.4	-65.8	166.5	0	0	0	110.1	V340 I344 I356 V359 A364 A365 Q370 A371 R372 V378 L430	V340-I368 HydrophobicContact CG1-CD1 4.33Å; V340-I368 HydrophobicContact CG1-CG1 3.73Å; I344-I368 HydrophobicContact CD1-CG1 4.22Å; I356-I368 HydrophobicContact CB-CD1 3.89Å; I356-I368 HydrophobicContact CG1-CD1 3.97Å; I356-I368 HydrophobicContact CG1-CG1 4.17Å; I356-I368 HydrophobicContact CG2-CD1 4.12Å; V359-I368 HydrophobicContact CG1-CD1 4.37Å; V359-I368 HydrophobicContact CG2-CD1 3.59Å; A364-I368 WeakPolarHBondContact O-CG1 3.1Å; A364-I368 PolarHBondContact O-N 2.54Å; A365-I368 PolarHBondContact O-N 3.38Å; I368-Q370 PolarHBondContact O-N 3Å; I368-A371 WeakPolarHBondContact O-CB 3.28Å; I368-A371 PolarHBondContact O-N 3.33Å; I368-A371 VanDerWaalsContact O-N 3.15Å; I368-R372 HydrophobicContact CG2-CG 4.36Å; I368-R372 WeakPolarHBondContact O-CG 3.12Å; I368-R372 PolarHBondContact O-N 3.3Å; I368-V378 HydrophobicContact CG2-CG1 4.14Å; I368-V378 HydrophobicContact CG2-CG2 4.34Å; I368-L430 HydrophobicContact CD1-CD2 4.2Å; I368-L430 HydrophobicContact CG2-CD2 4.44Å
369	T	98.6	Very high	98.1	Very high	5 Å²	5	34.5 Å²	34.5	3%	0.031	17%	0.168	C	C	.	.	H	α-helix	trans	-54.4	-52.1	178.3	-63.6	0	0	0	0	112.1	A365 D366 A371 R372 R373 D429	A365-T369 WeakPolarHBondContact O-CB 3.38Å; A365-T369 PolarHBondContact O-N 3.28Å; A365-T369 PolarHBondContact O-OG1 3.4Å; D366-T369 WeakPolarHBondContact O-CB 3.38Å; D366-T369 PolarHBondContact O-N 2.71Å; T369-A371 VanDerWaalsContact C-N 3.3Å; T369-A371 PolarHBondContact O-N 3.24Å; T369-R372 PolarHBondContact O-N 3.22Å; T369-R373 VanDerWaalsContact CG2-NH2 3.27Å; T369-R373 WeakPolarHBondContact O-CG 3.42Å; T369-R373 PolarHBondContact O-N 2.94Å; T369-D429 HydrophobicContact CG2-CB 4.18Å; T369-D429 VanDerWaalsContact CG2-OD2 3.27Å; T369-D429 WeakPolarHBondContact CG2-OD2 3.39Å; T369-D429 WeakPolarHBondContact OG1-CB 3.43Å
370	Q	98.5	Very high	98.1	Very high	108 Å²	108	34.5 Å²	34.5	51%	0.505	17%	0.168	S	C	.	.	H	α-helix	trans	-61.6	-37.6	178.1	-72.9	177.9	46.5	0	0	112.4	D366 I368 K374	D366-Q370 WeakPolarHBondContact O-CB 3.2Å; D366-Q370 VanDerWaalsContact O-CG 3.24Å; D366-Q370 WeakPolarHBondContact O-CG 3.24Å; D366-Q370 PolarHBondContact O-N 3.49Å; I368-Q370 PolarHBondContact O-N 3Å; Q370-K374 WeakPolarHBondContact O-CG 3.47Å; Q370-K374 PolarHBondContact O-N 3.33Å
371	A	98.3	Very high	98.1	Very high	7 Å²	7	34.5 Å²	34.5	6%	0.058	17%	0.168	C	C	.	.	H	α-helix	trans	-68	-42	176.8	0	0	0	0	0	112.3	I344 T367 I368 T369 K374 G375 S376 V378	I344-A371 HydrophobicContact CD1-CB 3.91Å; I344-A371 HydrophobicContact CG2-CB 3.58Å; T367-A371 WeakPolarHBondContact O-CB 3.47Å; T367-A371 PolarHBondContact O-N 3.04Å; I368-A371 WeakPolarHBondContact O-CB 3.28Å; I368-A371 PolarHBondContact O-N 3.33Å; I368-A371 VanDerWaalsContact O-N 3.15Å; T369-A371 VanDerWaalsContact C-N 3.3Å; T369-A371 PolarHBondContact O-N 3.24Å; A371-K374 CarbonylContact O-C 3.06Å; A371-K374 WeakPolarHBondContact O-CB 3.41Å; A371-K374 PolarHBondContact O-N 2.99Å; A371-K374 VanDerWaalsContact O-N 3.16Å; A371-G375 PolarHBondContact O-N 3.16Å; A371-S376 WeakPolarHBondContact O-CB 3.29Å; A371-S376 PolarHBondContact O-N 3.13Å; A371-S376 PolarHBondContact O-OG 2.8Å; A371-V378 HydrophobicContact CB-CG1 4.06Å
372	R	97.6	Very high	98.1	Very high	58 Å²	58	34.4 Å²	34.4	22%	0.219	17%	0.168	C	C	.	.	H	α-helix	trans	-62.9	-42.2	175.9	-71.8	179	60.6	85.8	-7.5	111.8	I368 T369 K374 G375 V378 G428 D429 Q431	I368-R372 HydrophobicContact CG2-CG 4.36Å; I368-R372 WeakPolarHBondContact O-CG 3.12Å; I368-R372 PolarHBondContact O-N 3.3Å; T369-R372 PolarHBondContact O-N 3.22Å; R372-K374 PolarHBondContact O-N 3.37Å; R372-G375 WeakPolarHBondContact O-CA 3.34Å; R372-G375 PolarHBondContact O-N 2.88Å; R372-V378 HydrophobicContact CG-CG1 3.54Å; R372-V378 PolarHBondContact NH1-O 3.25Å; R372-G428 PolarHBondContact NH2-O 3.49Å; R372-G428 VanDerWaalsContact NH2-O 3.14Å; R372-D429 WeakPolarHBondContact CD-O 3.45Å; R372-Q431 VanDerWaalsContact NE-NE2 3.11Å
373	R	97	Very high	98.1	Very high	179 Å²	179	32.4 Å²	32.4	68%	0.675	16%	0.159	S	C	*	.	H	α-helix	trans	-61.8	-27	173.6	-68.2	174	-170	-177.5	5.8	113.2	T369 G375 D429	T369-R373 VanDerWaalsContact CG2-NH2 3.27Å; T369-R373 WeakPolarHBondContact O-CG 3.42Å; T369-R373 PolarHBondContact O-N 2.94Å; R373-G375 VanDerWaalsContact C-N 3.25Å; R373-G375 PolarHBondContact O-N 3.21Å; R373-D429 IonicContact CZ-OD2 2.7Å; R373-D429 IonicContact NE-OD2 4Å; R373-D429 IonicContact NH2-OD2 2.81Å; R373-D429 PolarHBondContact NH2-OD2 3.42Å
374	K	96.6	Very high	98.1	Very high	160 Å²	160	31 Å²	31	70%	0.696	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	5.3	169.8	-65.7	165.1	-173.9	168.6	0	113.7	Q370 A371 R372	Q370-K374 WeakPolarHBondContact O-CG 3.47Å; Q370-K374 PolarHBondContact O-N 3.33Å; A371-K374 CarbonylContact O-C 3.06Å; A371-K374 WeakPolarHBondContact O-CB 3.41Å; A371-K374 PolarHBondContact O-N 2.99Å; A371-K374 VanDerWaalsContact O-N 3.16Å; R372-K374 PolarHBondContact O-N 3.37Å
375	G	95.6	Very high	98.1	Very high	39 Å²	39	31 Å²	31	40%	0.402	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	15.7	-178.8	0	0	0	0	0	115	A371 R372 R373 R589	A371-G375 PolarHBondContact O-N 3.16Å; R372-G375 WeakPolarHBondContact O-CA 3.34Å; R372-G375 PolarHBondContact O-N 2.88Å; R373-G375 VanDerWaalsContact C-N 3.25Å; R373-G375 PolarHBondContact O-N 3.21Å; G375-R589 PolarHBondContact O-NH2 3.4Å
376	S	96.9	Very high	98.1	Very high	7 Å²	7	31.2 Å²	31.2	5%	0.049	15%	0.15	C	C	.	.			trans	-64.5	150	178.9	-54.4	0	0	0	0	111.9	N348 A371 V378 R585	N348-S376 PolarHBondContact ND2-OG 2.93Å; N348-S376 WeakPolarHBondContact OD1-CB 3.47Å; N348-S376 PolarHBondContact OD1-OG 3.03Å; A371-S376 WeakPolarHBondContact O-CB 3.29Å; A371-S376 PolarHBondContact O-N 3.13Å; A371-S376 PolarHBondContact O-OG 2.8Å; S376-V378 VanDerWaalsContact C-N 3.28Å; S376-V378 PolarHBondContact O-N 2.62Å; S376-R585 PolarHBondContact O-NH1 3.46Å
377	V	97.5	Very high	98	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.018	14%	0.136	C	C	.	.			trans	-92.5	69	175.4	-173.6	0	0	0	0	107.8	P353 V354 R585 V586	P353-V377 WeakPolarHBondContact CA-O 3.35Å; P353-V377 HydrophobicContact CB-CG1 3.61Å; P353-V377 HydrophobicContact CG-CG1 3.92Å; V354-V377 PolarHBondContact N-O 2.85Å; V377-R585 HydrophobicContact CG2-CG 3.97Å; V377-V586 HydrophobicContact CB-CG2 4.46Å; V377-V586 HydrophobicContact CG1-CG2 4.11Å; V377-V586 HydrophobicContact CG2-CG2 4.01Å
378	V	98.4	Very high	98	Very high	1 Å²	1	28 Å²	28	1%	0.006	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	142.3	176.8	63.6	0	0	0	0	110.9	I344 V354 I356 I368 A371 R372 S376	I344-V378 HydrophobicContact CD1-CB 4.45Å; I344-V378 HydrophobicContact CD1-CG1 4.34Å; I344-V378 HydrophobicContact CD1-CG2 3.95Å; I344-V378 HydrophobicContact CG1-CB 4.21Å; I344-V378 HydrophobicContact CG1-CG2 3.81Å; V354-V378 HydrophobicContact CB-CG2 4.47Å; V354-V378 CarbonylContact O-C 3.56Å; V354-V378 VanDerWaalsContact O-CA 3.24Å; V354-V378 WeakPolarHBondContact O-CA 3.48Å; I356-V378 HydrophobicContact CG1-CG2 3.99Å; I368-V378 HydrophobicContact CG2-CG1 4.14Å; I368-V378 HydrophobicContact CG2-CG2 4.34Å; A371-V378 HydrophobicContact CB-CG1 4.06Å; R372-V378 HydrophobicContact CG-CG1 3.54Å; R372-V378 PolarHBondContact NH1-O 3.25Å; S376-V378 VanDerWaalsContact C-N 3.28Å; S376-V378 PolarHBondContact O-N 2.62Å
379	F	98.6	Very high	97.9	Very high	1 Å²	1	28.3 Å²	28.3	0%	0.004	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	147.8	169.7	-56.2	-77.4	0	0	0	110.4	V354 Y355 I356 Q431 I495 Y581 A582 R585	V354-F379 PolarHBondContact O-N 3.23Å; Y355-F379 HydrophobicContact CD2-CB 3.6Å; Y355-F379 HydrophobicContact CD2-CD2 4.36Å; Y355-F379 HydrophobicContact CD2-CG 4.27Å; Y355-F379 HydrophobicContact CE2-CB 4.19Å; Y355-F379 HydrophobicContact CG-CB 4.26Å; I356-F379 PolarHBondContact N-O 3.17Å; F379-Q431 HydrophobicContact CD1-CG 4.14Å; F379-I495 HydrophobicContact CB-CD1 4.35Å; F379-I495 HydrophobicContact CD1-CD1 3.69Å; F379-I495 HydrophobicContact CD1-CG1 4.16Å; F379-I495 HydrophobicContact CE1-CD1 4.07Å; F379-I495 HydrophobicContact CE1-CG1 4.03Å; F379-I495 HydrophobicContact CG-CD1 3.97Å; F379-I495 HydrophobicContact CZ-CG1 4.23Å; F379-Y581 HydrophobicContact CD1-CE1 4.44Å; F379-Y581 AromaticContact CE1-CD1 3.94Å; F379-Y581 HydrophobicContact CE1-CD1 3.94Å; F379-Y581 AromaticContact CE1-CE1 3.53Å; F379-Y581 HydrophobicContact CE1-CE1 3.53Å; F379-Y581 AromaticContact CZ-CD1 3.99Å; F379-Y581 HydrophobicContact CZ-CD1 3.99Å; F379-Y581 HydrophobicContact CZ-CE1 4.07Å; F379-A582 HydrophobicContact CE2-CB 3.9Å; F379-A582 HydrophobicContact CZ-CB 4.15Å; F379-R585 VanDerWaalsContact CZ-NH2 3.3Å
380	G	98.6	Very high	97.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	134.9	177.1	0	0	0	0	0	112.4	Q431	G380-Q431 PolarHBondContact O-N 3.37Å; G380-Q431 VanDerWaalsContact O-N 3.1Å
381	E	98.6	Very high	97.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.118	C	C	.	.			trans	-121.6	95	-179.2	-178.5	-156.2	105.8	0	0	111.3	V176 N177 Y355 I356 K358 V359 V432	V176-E381 HydrophobicContact CG2-CG 4.17Å; V176-E381 VanDerWaalsContact CG2-OE2 3.28Å; V176-E381 WeakPolarHBondContact CG2-OE2 3.44Å; N177-E381 WeakPolarHBondContact CB-OE1 3.5Å; N177-E381 PolarHBondContact ND2-OE1 2.8Å; Y355-E381 HydrophobicContact CE1-CB 3.81Å; Y355-E381 HydrophobicContact CE1-CG 4.45Å; Y355-E381 WeakPolarHBondContact CE1-OE2 3.42Å; Y355-E381 VanDerWaalsContact CZ-OE2 3.29Å; Y355-E381 WeakPolarHBondContact OH-CB 3.43Å; Y355-E381 PolarHBondContact OH-OE2 3.14Å; I356-E381 PolarHBondContact O-N 2.51Å; K358-E381 CarbonylContact C-O 3.58Å; K358-E381 WeakPolarHBondContact CA-O 3.15Å; K358-E381 PolarHBondContact N-O 2.79Å; K358-E381 VanDerWaalsContact N-O 3.11Å; V359-E381 PolarHBondContact N-O 2.88Å; E381-V432 WeakPolarHBondContact CA-O 3.42Å
382	P	98.7	Very high	97.7	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.136	C	C	.	.			trans	-68.9	158	158.9	32.7	-37	0	0	0	110.4	V359 L387 L421 L425 L430 V432 V433 G434	V359-P382 WeakPolarHBondContact O-CA 3.49Å; P382-L387 HydrophobicContact CB-CD1 4.32Å; P382-L387 HydrophobicContact CB-CD2 3.97Å; P382-L387 HydrophobicContact CB-CG 4.1Å; P382-L387 HydrophobicContact CG-CD1 4.28Å; P382-L387 HydrophobicContact CG-CD2 4.21Å; P382-L387 HydrophobicContact CG-CG 4.49Å; P382-L421 HydrophobicContact CB-CD1 4.31Å; P382-L425 HydrophobicContact CG-CD1 3.82Å; P382-L425 HydrophobicContact CG-CD2 3.85Å; P382-L425 HydrophobicContact CG-CG 3.92Å; P382-L430 HydrophobicContact CB-CD1 4.38Å; P382-L430 HydrophobicContact CG-CB 4.43Å; P382-L430 HydrophobicContact CG-CD1 3.88Å; P382-V432 WeakPolarHBondContact CD-O 3.42Å; P382-V433 WeakPolarHBondContact O-CA 3.17Å; P382-G434 PolarHBondContact O-N 2.63Å
383	I	98.6	Very high	97.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-116.9	163.9	-178	59.7	167.6	0	0	0	112.9	K358 M360 A385 S386 L387 G434 A436	K358-I383 HydrophobicContact CG-CD1 4.42Å; K358-I383 HydrophobicContact CG-CG2 4.06Å; M360-I383 HydrophobicContact CE-CD1 4.17Å; M360-I383 HydrophobicContact CE-CG1 4.46Å; M360-I383 HydrophobicContact SD-CD1 3.61Å; M360-I383 HydrophobicContact SD-CG1 3.6Å; M360-I383 VanDerWaalsContact SD-CG1 3.6Å; I383-A385 HydrophobicContact CD1-CB 3.96Å; I383-A385 HydrophobicContact CG1-CB 4.19Å; I383-A385 PolarHBondContact O-N 2.93Å; I383-S386 PolarHBondContact N-OG 2.8Å; I383-S386 PolarHBondContact O-N 3.42Å; I383-S386 VanDerWaalsContact O-N 3.08Å; I383-S386 PolarHBondContact O-OG 2.93Å; I383-L387 WeakPolarHBondContact O-CB 3.32Å; I383-L387 VanDerWaalsContact O-CG 3.31Å; I383-L387 WeakPolarHBondContact O-CG 3.28Å; I383-L387 PolarHBondContact O-N 3.35Å; I383-G434 CarbonylContact C-O 3.59Å; I383-G434 VanDerWaalsContact CA-O 3.23Å; I383-G434 WeakPolarHBondContact CA-O 3.21Å; I383-A436 HydrophobicContact CB-CB 4.43Å; I383-A436 HydrophobicContact CD1-CB 3.8Å; I383-A436 HydrophobicContact CG2-CB 3.89Å
384	T	98.5	Very high	97.7	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.012	10%	0.104	C	C	.	.	H	α-helix	trans	-45.4	-42.8	177	-45.7	0	0	0	0	112.4	L387 A388 G434 S435 G461 E464 R465 F468 F538	T384-L387 PolarHBondContact O-N 2.95Å; T384-A388 WeakPolarHBondContact O-CB 3.32Å; T384-A388 PolarHBondContact O-N 3.19Å; T384-G434 PolarHBondContact N-O 3.5Å; T384-G434 VanDerWaalsContact N-O 3.11Å; T384-S435 WeakPolarHBondContact OG1-CA 3.2Å; T384-G461 PolarHBondContact OG1-O 2.71Å; T384-E464 HydrophobicContact CG2-CB 4.22Å; T384-R465 WeakPolarHBondContact OG1-CA 3.18Å; T384-R465 WeakPolarHBondContact OG1-CB 3.46Å; T384-R465 WeakPolarHBondContact OG1-CG 3.22Å; T384-F468 HydrophobicContact CG2-CD2 3.94Å; T384-F538 HydrophobicContact CG2-CE1 4.43Å; T384-F538 HydrophobicContact CG2-CE2 3.9Å; T384-F538 HydrophobicContact CG2-CZ 3.65Å
385	A	98.4	Very high	97.8	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-59.7	-56.7	178.4	0	0	0	0	0	112.5	I383 L387 A388 T389 L411 I537	I383-A385 HydrophobicContact CD1-CB 3.96Å; I383-A385 HydrophobicContact CG1-CB 4.19Å; I383-A385 PolarHBondContact O-N 2.93Å; A385-L387 PolarHBondContact O-N 3.2Å; A385-L387 VanDerWaalsContact O-N 3.15Å; A385-A388 PolarHBondContact O-N 3.37Å; A385-T389 WeakPolarHBondContact O-CG2 3.42Å; A385-T389 PolarHBondContact O-N 2.83Å; A385-T389 VanDerWaalsContact O-N 3.08Å; A385-L411 HydrophobicContact CB-CD2 4.02Å; A385-I537 HydrophobicContact CB-CD1 3.69Å
386	S	98.4	Very high	97.9	Very high	3 Å²	3	16 Å²	16	2%	0.021	9%	0.085	C	C	.	.	H	α-helix	trans	-66.3	-14.4	179.4	53.3	0	0	0	0	114.3	V359 I383 P418	V359-S386 PolarHBondContact O-OG 3.35Å; I383-S386 PolarHBondContact N-OG 2.8Å; I383-S386 PolarHBondContact O-N 3.42Å; I383-S386 VanDerWaalsContact O-N 3.08Å; I383-S386 PolarHBondContact O-OG 2.93Å; S386-P418 WeakPolarHBondContact O-CA 3.31Å; S386-P418 WeakPolarHBondContact O-CB 3.24Å; S386-P418 WeakPolarHBondContact O-CG 3.45Å
387	L	98.1	Very high	97.9	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-98.5	-12.6	179	-67.3	178.7	0	0	0	113.7	P382 I383 T384 A385 L421 H422 L425 V433 V469	P382-L387 HydrophobicContact CB-CD1 4.32Å; P382-L387 HydrophobicContact CB-CD2 3.97Å; P382-L387 HydrophobicContact CB-CG 4.1Å; P382-L387 HydrophobicContact CG-CD1 4.28Å; P382-L387 HydrophobicContact CG-CD2 4.21Å; P382-L387 HydrophobicContact CG-CG 4.49Å; I383-L387 WeakPolarHBondContact O-CB 3.32Å; I383-L387 VanDerWaalsContact O-CG 3.31Å; I383-L387 WeakPolarHBondContact O-CG 3.28Å; I383-L387 PolarHBondContact O-N 3.35Å; T384-L387 PolarHBondContact O-N 2.95Å; A385-L387 PolarHBondContact O-N 3.2Å; A385-L387 VanDerWaalsContact O-N 3.15Å; L387-L421 HydrophobicContact CD2-CB 3.65Å; L387-H422 PolarHBondContact O-CE1 3.49Å; L387-H422 PolarHBondContact O-NE2 2.78Å; L387-L425 HydrophobicContact CD1-CD1 3.82Å; L387-L425 HydrophobicContact CD2-CD1 3.72Å; L387-L425 HydrophobicContact CG-CD1 4.45Å; L387-V433 HydrophobicContact CD1-CB 4.26Å; L387-V433 HydrophobicContact CD1-CG1 3.47Å; L387-V433 VanDerWaalsContact CD1-CG1 3.47Å; L387-V433 HydrophobicContact CD1-CG2 3.73Å; L387-V469 HydrophobicContact CD1-CG2 4.21Å
388	A	97.6	Very high	97.9	Very high	13 Å²	13	30.6 Å²	30.6	11%	0.107	15%	0.152	C	C	.	.	H	α-helix	trans	-126.3	-15	-175	0	0	0	0	0	114.3	T384 A385 F468 F538	T384-A388 WeakPolarHBondContact O-CB 3.32Å; T384-A388 PolarHBondContact O-N 3.19Å; A385-A388 PolarHBondContact O-N 3.37Å; A388-F468 HydrophobicContact CB-CB 3.99Å; A388-F468 HydrophobicContact CB-CD1 3.77Å; A388-F468 HydrophobicContact CB-CD2 3.56Å; A388-F468 HydrophobicContact CB-CE1 4.13Å; A388-F468 HydrophobicContact CB-CE2 3.92Å; A388-F468 HydrophobicContact CB-CG 3.48Å; A388-F468 VanDerWaalsContact CB-CG 3.48Å; A388-F468 HydrophobicContact CB-CZ 4.21Å; A388-F538 HydrophobicContact CB-CD1 3.72Å; A388-F538 HydrophobicContact CB-CE1 3.59Å
389	T	97.5	Very high	97.9	Very high	8 Å²	8	33.4 Å²	33.4	5%	0.049	16%	0.162	C	C	.	.			trans	-150.6	177	-178.1	-169.6	0	0	0	0	111.6	A385 H393 Y405 L411 P418 I537 F538	A385-T389 WeakPolarHBondContact O-CG2 3.42Å; A385-T389 PolarHBondContact O-N 2.83Å; A385-T389 VanDerWaalsContact O-N 3.08Å; T389-H393 PolarHBondContact OG1-CD2 2.83Å; T389-H393 PolarHBondContact OG1-NE2 3.25Å; T389-H393 VanDerWaalsContact OG1-NE2 3.15Å; T389-Y405 HydrophobicContact CG2-CD1 4.29Å; T389-Y405 HydrophobicContact CG2-CE1 4.07Å; T389-L411 HydrophobicContact CG2-CD1 3.89Å; T389-L411 HydrophobicContact CG2-CD2 4.25Å; T389-P418 WeakPolarHBondContact O-CG 3.35Å; T389-I537 HydrophobicContact CG2-CD1 4.16Å; T389-F538 HydrophobicContact CG2-CD1 4.33Å; T389-F538 HydrophobicContact CG2-CE1 3.96Å
390	D	97.2	Very high	97.8	Very high	29 Å²	29	34.9 Å²	34.9	16%	0.155	18%	0.175	C	C	.	.			trans	-136.4	171.8	-174.1	69	69.7	0	0	0	112.4	S392 H393	D390-S392 VanDerWaalsContact C-N 3.28Å; D390-S392 PolarHBondContact O-N 2.97Å; D390-S392 WeakPolarHBondContact OD1-CB 3.39Å; D390-S392 PolarHBondContact OD1-N 2.74Å; D390-S392 PolarHBondContact OD1-OG 3.18Å; D390-H393 PolarHBondContact O-CD2 3.21Å
391	G	96.9	Very high	97.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-73.7	-5.9	-175.1	0	0	0	0	0	115.6	H393 Y394 W395 L411 S412	G391-H393 PolarHBondContact O-N 3.07Å; G391-Y394 WeakPolarHBondContact O-CD2 3.38Å; G391-Y394 PolarHBondContact O-N 2.88Å; G391-W395 WeakPolarHBondContact O-CZ3 3.09Å; G391-L411 WeakPolarHBondContact CA-O 3.25Å; G391-S412 PolarHBondContact N-O 3.09Å
392	S	96.6	Very high	97.7	Very high	63 Å²	63	37.7 Å²	37.7	44%	0.441	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-57.6	-25.4	178.6	65.4	0	0	0	0	112.7	D390 Y394 W395	D390-S392 VanDerWaalsContact C-N 3.28Å; D390-S392 PolarHBondContact O-N 2.97Å; D390-S392 WeakPolarHBondContact OD1-CB 3.39Å; D390-S392 PolarHBondContact OD1-N 2.74Å; D390-S392 PolarHBondContact OD1-OG 3.18Å; S392-Y394 VanDerWaalsContact C-N 3.27Å; S392-Y394 PolarHBondContact O-N 2.92Å; S392-W395 PolarHBondContact O-N 3.37Å
393	H	96.5	Very high	97.7	Very high	45 Å²	45	37.7 Å²	37.7	21%	0.208	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-66.4	-20.6	178.1	-62.6	-41.9	0	0	0	114.9	T389 D390 G391 W395 S396 Y405	T389-H393 PolarHBondContact OG1-CD2 2.83Å; T389-H393 PolarHBondContact OG1-NE2 3.25Å; T389-H393 VanDerWaalsContact OG1-NE2 3.15Å; D390-H393 PolarHBondContact O-CD2 3.21Å; G391-H393 PolarHBondContact O-N 3.07Å; H393-W395 PolarHBondContact O-N 2.99Å; H393-S396 WeakPolarHBondContact O-CB 3.3Å; H393-S396 PolarHBondContact O-N 3.25Å; H393-S396 VanDerWaalsContact O-N 3.1Å; H393-Y405 HydrophobicContact CB-CD1 3.88Å; H393-Y405 HydrophobicContact CB-CD2 3.6Å; H393-Y405 HydrophobicContact CB-CE1 3.85Å; H393-Y405 HydrophobicContact CB-CE2 3.6Å; H393-Y405 HydrophobicContact CB-CG 3.77Å; H393-Y405 AromaticContact CD2-CD1 3.8Å; H393-Y405 AromaticContact CD2-CE1 3.12Å; H393-Y405 WeakPolarHBondContact CD2-CE1 3.3Å; H393-Y405 AromaticContact CD2-CZ 3.36Å; H393-Y405 AromaticContact CG-CE1 3.68Å; H393-Y405 AromaticContact CG-CE2 3.91Å; H393-Y405 AromaticContact CG-CZ 3.54Å
394	Y	98	Very high	97.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-62.7	-27.2	173.5	-63.1	-60.7	0	0	0	112.6	P328 G391 S392 S396 A402 Y405 V406 P410 L411	P328-Y394 HydrophobicContact CB-CD2 3.94Å; P328-Y394 HydrophobicContact CB-CE2 4.11Å; P328-Y394 HydrophobicContact CG-CD2 3.51Å; P328-Y394 HydrophobicContact CG-CE2 4.11Å; P328-Y394 HydrophobicContact CG-CG 3.83Å; G391-Y394 WeakPolarHBondContact O-CD2 3.38Å; G391-Y394 PolarHBondContact O-N 2.88Å; S392-Y394 VanDerWaalsContact C-N 3.27Å; S392-Y394 PolarHBondContact O-N 2.92Å; Y394-S396 VanDerWaalsContact C-N 3.27Å; Y394-S396 PolarHBondContact O-N 2.86Å; Y394-A402 WeakPolarHBondContact O-CB 3.26Å; Y394-Y405 VanDerWaalsContact CE1-C 3.47Å; Y394-Y405 VanDerWaalsContact CE1-O 3.27Å; Y394-Y405 WeakPolarHBondContact CE1-O 3.28Å; Y394-Y405 PolarHBondContact OH-O 2.7Å; Y394-V406 HydrophobicContact CD1-CG2 4.43Å; Y394-V406 HydrophobicContact CE1-CG2 4.11Å; Y394-P410 HydrophobicContact CE2-CB 4.26Å; Y394-L411 HydrophobicContact CE2-CB 3.96Å; Y394-L411 PolarHBondContact OH-N 3.49Å; Y394-L411 VanDerWaalsContact OH-N 3.09Å
395	W	98	Very high	97.6	Very high	128 Å²	128	38.4 Å²	38.4	49%	0.485	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-87.6	14.8	176.3	-72.1	-93.3	0	0	0	113.8	E325 P328 L329 G391 S392 H393 K397 P413	E325-W395 HydrophobicContact CB-CD2 4.23Å; E325-W395 HydrophobicContact CB-CG 4.37Å; E325-W395 HydrophobicContact CB-CZ2 4.28Å; P328-W395 HydrophobicContact CB-CH2 4.4Å; P328-W395 HydrophobicContact CG-CH2 3.75Å; P328-W395 HydrophobicContact CG-CZ3 4.06Å; L329-W395 HydrophobicContact CD2-CZ2 4.28Å; L329-W395 HydrophobicContact CG-CZ2 4.19Å; G391-W395 WeakPolarHBondContact O-CZ3 3.09Å; S392-W395 PolarHBondContact O-N 3.37Å; H393-W395 PolarHBondContact O-N 2.99Å; W395-K397 PolarHBondContact O-N 2.88Å; W395-P413 HydrophobicContact CZ3-CB 4.19Å
396	S	97.4	Very high	97.6	Very high	32 Å²	32	38.4 Å²	38.4	22%	0.224	19%	0.193	C	C	.	.			trans	-63.2	124	174.1	161.4	0	0	0	0	111.5	H393 Y394 N398	H393-S396 WeakPolarHBondContact O-CB 3.3Å; H393-S396 PolarHBondContact O-N 3.25Å; H393-S396 VanDerWaalsContact O-N 3.1Å; Y394-S396 VanDerWaalsContact C-N 3.27Å; Y394-S396 PolarHBondContact O-N 2.86Å; S396-N398 CarbonylContact O-C 3.53Å; S396-N398 PolarHBondContact O-N 2.97Å; S396-N398 PolarHBondContact OG-N 3.36Å; S396-N398 VanDerWaalsContact OG-N 3.14Å; S396-N398 PolarHBondContact OG-O 2.78Å
397	K	97.6	Very high	97.6	Very high	220 Å²	220	38.5 Å²	38.5	96%	0.957	19%	0.193	S	C	*	.	S	Bend	trans	-57.8	-19.9	172.2	-64.9	-175.5	179.3	-179.7	0	113.8	W395	W395-K397 PolarHBondContact O-N 2.88Å
398	N	97.7	Very high	97.5	Very high	96 Å²	96	38.5 Å²	38.5	51%	0.513	19%	0.193	S	C	.	.	S	Bend	trans	-86.8	107.8	166.1	178.4	-12.7	0	0	0	108.6	S396 A400 K401 A402	S396-N398 CarbonylContact O-C 3.53Å; S396-N398 PolarHBondContact O-N 2.97Å; S396-N398 PolarHBondContact OG-N 3.36Å; S396-N398 VanDerWaalsContact OG-N 3.14Å; S396-N398 PolarHBondContact OG-O 2.78Å; N398-A400 VanDerWaalsContact C-N 3.33Å; N398-A400 PolarHBondContact O-N 3.2Å; N398-A400 WeakPolarHBondContact OD1-CB 3.36Å; N398-A400 PolarHBondContact OD1-N 3.25Å; N398-K401 HydrophobicContact CB-CB 4.08Å; N398-K401 WeakPolarHBondContact O-CB 2.99Å; N398-K401 PolarHBondContact O-N 3.2Å; N398-K401 PolarHBondContact OD1-N 2.98Å; N398-A402 PolarHBondContact O-N 3.3Å
399	W	98.1	Very high	97.6	Very high	60 Å²	60	38 Å²	38	23%	0.227	19%	0.189	C	C	.	.	H	α-helix	trans	-55.9	-43.2	179.5	-177.6	99.2	0	0	0	112.6	P324 K401 A402 A403 K445 A446 K449 I455	P324-W399 HydrophobicContact CG-CZ2 4.42Å; W399-K401 VanDerWaalsContact C-N 3.32Å; W399-K401 PolarHBondContact O-N 2.99Å; W399-A402 PolarHBondContact O-N 2.91Å; W399-A402 VanDerWaalsContact O-N 3.14Å; W399-A403 HydrophobicContact CD2-CB 4.33Å; W399-A403 HydrophobicContact CE3-CB 4.08Å; W399-A403 HydrophobicContact CH2-CB 3.37Å; W399-A403 HydrophobicContact CZ2-CB 3.73Å; W399-A403 HydrophobicContact CZ3-CB 3.61Å; W399-A403 WeakPolarHBondContact O-CB 3.42Å; W399-A403 PolarHBondContact O-N 3.39Å; W399-K445 HydrophobicContact CH2-CB 4.42Å; W399-K445 WeakPolarHBondContact CH2-O 3.35Å; W399-A446 HydrophobicContact CH2-CB 4.37Å; W399-A446 HydrophobicContact CZ3-CB 4.17Å; W399-K449 VanDerWaalsContact CZ2-CA 3.47Å; W399-K449 HydrophobicContact CZ2-CB 4.22Å; W399-K449 PolarHBondContact NE1-O 3.37Å; W399-I455 HydrophobicContact CH2-CD1 4.46Å; W399-I455 HydrophobicContact CZ2-CD1 3.77Å; W399-I455 HydrophobicContact CZ2-CG1 4.15Å
400	A	97.1	Very high	97.6	Very high	33 Å²	33	38.3 Å²	38.3	27%	0.273	19%	0.191	S	C	.	.	H	α-helix	trans	-64.3	-39	-179.5	0	0	0	0	0	111.7	N398 A404 T442	N398-A400 VanDerWaalsContact C-N 3.33Å; N398-A400 PolarHBondContact O-N 3.2Å; N398-A400 WeakPolarHBondContact OD1-CB 3.36Å; N398-A400 PolarHBondContact OD1-N 3.25Å; A400-A404 PolarHBondContact O-N 2.92Å; A400-T442 HydrophobicContact CB-CG2 3.61Å
401	K	96.9	Very high	97.7	Very high	58 Å²	58	37 Å²	37	25%	0.252	18%	0.184	S	C	.	.	H	α-helix	trans	-61.3	-50.9	170.6	171.8	167.5	-175.1	163.8	0	110.6	N398 W399 A403 A404 Y405 Y535	N398-K401 HydrophobicContact CB-CB 4.08Å; N398-K401 WeakPolarHBondContact O-CB 2.99Å; N398-K401 PolarHBondContact O-N 3.2Å; N398-K401 PolarHBondContact OD1-N 2.98Å; W399-K401 VanDerWaalsContact C-N 3.32Å; W399-K401 PolarHBondContact O-N 2.99Å; K401-A403 PolarHBondContact O-N 3.12Å; K401-A404 WeakPolarHBondContact O-CB 3.35Å; K401-A404 PolarHBondContact O-N 2.61Å; K401-Y405 HydrophobicContact CG-CE2 4.02Å; K401-Y405 WeakPolarHBondContact O-CD2 3.49Å; K401-Y535 HydrophobicContact CB-CE2 4.42Å; K401-Y535 VanDerWaalsContact CD-OH 3.25Å; K401-Y535 WeakPolarHBondContact CD-OH 3.49Å; K401-Y535 VanDerWaalsContact CE-OH 3.26Å; K401-Y535 WeakPolarHBondContact CE-OH 3.32Å; K401-Y535 HydrophobicContact CG-CE1 4.37Å; K401-Y535 HydrophobicContact CG-CE2 4.47Å; K401-Y535 WeakPolarHBondContact CG-OH 3.41Å
402	A	98.2	Very high	97.7	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.008	19%	0.187	C	C	.	.	H	α-helix	trans	-60.7	-43.8	-177.8	0	0	0	0	0	112.5	P324 Y394 N398 W399 A404 Y405	P324-A402 HydrophobicContact CB-CB 3.89Å; P324-A402 HydrophobicContact CG-CB 3.81Å; Y394-A402 WeakPolarHBondContact O-CB 3.26Å; N398-A402 PolarHBondContact O-N 3.3Å; W399-A402 PolarHBondContact O-N 2.91Å; W399-A402 VanDerWaalsContact O-N 3.14Å; A402-A404 VanDerWaalsContact C-N 3.28Å; A402-A404 PolarHBondContact O-N 3.01Å; A402-Y405 PolarHBondContact O-N 3.21Å
403	A	98.2	Very high	97.6	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-64.6	-28.3	179.3	0	0	0	0	0	113.5	P324 W399 K401 Y405 V406 K445 I455	P324-A403 HydrophobicContact CG-CB 4.04Å; W399-A403 HydrophobicContact CD2-CB 4.33Å; W399-A403 HydrophobicContact CE3-CB 4.08Å; W399-A403 HydrophobicContact CH2-CB 3.37Å; W399-A403 HydrophobicContact CZ2-CB 3.73Å; W399-A403 HydrophobicContact CZ3-CB 3.61Å; W399-A403 WeakPolarHBondContact O-CB 3.42Å; W399-A403 PolarHBondContact O-N 3.39Å; K401-A403 PolarHBondContact O-N 3.12Å; A403-Y405 PolarHBondContact O-N 3.15Å; A403-V406 WeakPolarHBondContact O-CB 3.44Å; A403-V406 PolarHBondContact O-N 2.77Å; A403-V406 VanDerWaalsContact O-N 3.13Å; A403-K445 HydrophobicContact CB-CB 4.24Å; A403-K445 WeakPolarHBondContact O-CD 3.4Å; A403-K445 WeakPolarHBondContact O-CE 3.32Å; A403-K445 PolarHBondContact O-NZ 3.36Å; A403-I455 HydrophobicContact CB-CD1 4.27Å; A403-I455 HydrophobicContact CB-CG2 4.41Å
404	A	97.8	Very high	97.6	Very high	12 Å²	12	38.5 Å²	38.5	10%	0.099	19%	0.193	C	C	.	.	H	α-helix	trans	-62.5	-28.6	177	0	0	0	0	0	113.1	A400 K401 A402 V406 Y535 I537	A400-A404 PolarHBondContact O-N 2.92Å; K401-A404 WeakPolarHBondContact O-CB 3.35Å; K401-A404 PolarHBondContact O-N 2.61Å; A402-A404 VanDerWaalsContact C-N 3.28Å; A402-A404 PolarHBondContact O-N 3.01Å; A404-V406 VanDerWaalsContact C-N 3.34Å; A404-Y535 HydrophobicContact CB-CD1 3.35Å; A404-Y535 HydrophobicContact CB-CE1 4.02Å; A404-Y535 HydrophobicContact CB-CG 3.91Å; A404-I537 HydrophobicContact CB-CG2 4.4Å; A404-I537 WeakPolarHBondContact O-CG2 3.23Å
405	Y	98.3	Very high	97.5	Very high	5 Å²	5	42.6 Å²	42.6	2%	0.02	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-4	177.6	-65.5	-99.1	0	0	0	113.3	T389 H393 Y394 K401 A402 A403 T407 L411 Y535 I537	T389-Y405 HydrophobicContact CG2-CD1 4.29Å; T389-Y405 HydrophobicContact CG2-CE1 4.07Å; H393-Y405 HydrophobicContact CB-CD1 3.88Å; H393-Y405 HydrophobicContact CB-CD2 3.6Å; H393-Y405 HydrophobicContact CB-CE1 3.85Å; H393-Y405 HydrophobicContact CB-CE2 3.6Å; H393-Y405 HydrophobicContact CB-CG 3.77Å; H393-Y405 AromaticContact CD2-CD1 3.8Å; H393-Y405 AromaticContact CD2-CE1 3.12Å; H393-Y405 WeakPolarHBondContact CD2-CE1 3.3Å; H393-Y405 AromaticContact CD2-CZ 3.36Å; H393-Y405 AromaticContact CG-CE1 3.68Å; H393-Y405 AromaticContact CG-CE2 3.91Å; H393-Y405 AromaticContact CG-CZ 3.54Å; Y394-Y405 VanDerWaalsContact CE1-C 3.47Å; Y394-Y405 VanDerWaalsContact CE1-O 3.27Å; Y394-Y405 WeakPolarHBondContact CE1-O 3.28Å; Y394-Y405 PolarHBondContact OH-O 2.7Å; K401-Y405 HydrophobicContact CG-CE2 4.02Å; K401-Y405 WeakPolarHBondContact O-CD2 3.49Å; A402-Y405 PolarHBondContact O-N 3.21Å; A403-Y405 PolarHBondContact O-N 3.15Å; Y405-T407 PolarHBondContact O-N 3.43Å; Y405-T407 VanDerWaalsContact O-N 3.11Å; Y405-L411 HydrophobicContact CD1-CD1 3.76Å; Y405-L411 HydrophobicContact CG-CD1 4.47Å; Y405-Y535 AromaticContact CE2-CE1 3.84Å; Y405-Y535 HydrophobicContact CE2-CE1 3.84Å; Y405-I537 HydrophobicContact CD1-CB 3.87Å; Y405-I537 HydrophobicContact CD1-CG2 3.95Å; Y405-I537 HydrophobicContact CD2-CG2 4.32Å; Y405-I537 HydrophobicContact CE1-CB 3.55Å; Y405-I537 HydrophobicContact CE1-CG2 4.03Å; Y405-I537 VanDerWaalsContact CE1-O 3.24Å; Y405-I537 WeakPolarHBondContact CE1-O 3.45Å; Y405-I537 HydrophobicContact CE2-CG2 4.38Å; Y405-I537 HydrophobicContact CG-CB 4.49Å; Y405-I537 HydrophobicContact CG-CG2 4.09Å; Y405-I537 PolarHBondContact OH-O 3.48Å
406	V	98.5	Very high	97.5	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.218	C	C	.	.			trans	-68.1	111.9	-177.8	174.9	0	0	0	0	110.5	P324 Y394 A403 A404 K445 I455 E457 G458	P324-V406 HydrophobicContact CB-CG2 3.99Å; Y394-V406 HydrophobicContact CD1-CG2 4.43Å; Y394-V406 HydrophobicContact CE1-CG2 4.11Å; A403-V406 WeakPolarHBondContact O-CB 3.44Å; A403-V406 PolarHBondContact O-N 2.77Å; A403-V406 VanDerWaalsContact O-N 3.13Å; A404-V406 VanDerWaalsContact C-N 3.34Å; V406-K445 PolarHBondContact O-NZ 2.95Å; V406-I455 HydrophobicContact CB-CG2 3.86Å; V406-I455 HydrophobicContact CG1-CB 4.14Å; V406-I455 HydrophobicContact CG1-CG2 3.88Å; V406-I455 HydrophobicContact CG2-CD1 4.18Å; V406-I455 HydrophobicContact CG2-CG2 4.09Å; V406-E457 HydrophobicContact CG1-CG 4.5Å; V406-G458 PolarHBondContact O-N 3.07Å
407	T	97.8	Very high	97.6	Very high	5 Å²	5	38.7 Å²	38.7	3%	0.031	21%	0.209	C	C	.	.			trans	-151.4	169.2	179.3	-167.4	0	0	0	0	109.2	H327 M360 Y405 P409 P410 T459	H327-T407 PolarHBondContact NE2-O 3.4Å; M360-T407 HydrophobicContact CE-CG2 4.02Å; Y405-T407 PolarHBondContact O-N 3.43Å; Y405-T407 VanDerWaalsContact O-N 3.11Å; T407-P409 CarbonylContact C-O 3.39Å; T407-P409 CarbonylContact O-C 3.56Å; T407-P410 WeakPolarHBondContact O-CA 3.44Å; T407-T459 HydrophobicContact CG2-CG2 4.2Å
408	S	96.8	Very high	97.6	Very high	1 Å²	1	29 Å²	29	1%	0.007	17%	0.168	C	C	.	.	S	Bend	trans	-137.2	123	-171	-53.7	0	0	0	0	111.5	H302 E304 R331 K358 E457	H302-S408 PolarHBondContact CE1-O 2.99Å; E304-S408 WeakPolarHBondContact OE2-CB 3.4Å; R331-S408 PolarHBondContact NH1-OG 2.72Å; K358-S408 WeakPolarHBondContact CD-O 3.27Å; K358-S408 WeakPolarHBondContact CE-O 3.3Å; K358-S408 PolarHBondContact NZ-O 3.45Å; S408-E457 VanDerWaalsContact CB-OE2 3.28Å; S408-E457 WeakPolarHBondContact CB-OE2 3.23Å; S408-E457 PolarHBondContact OG-OE1 2.85Å; S408-E457 VanDerWaalsContact OG-OE1 3.1Å; S408-E457 PolarHBondContact OG-OE2 2.94Å
409	P	98.3	Very high	97.6	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.019	17%	0.166	C	C	.	.	S	Bend	cis	-60.2	157.9	-3.2	-14.2	27	0	0	0	111.9	E304 E336 K358 M360 T407	E304-P409 HydrophobicContact CG-CB 4.01Å; E304-P409 HydrophobicContact CG-CG 3.75Å; E304-P409 WeakPolarHBondContact OE2-CA 3.41Å; E336-P409 HydrophobicContact CG-CB 4.28Å; E336-P409 HydrophobicContact CG-CG 3.95Å; K358-P409 WeakPolarHBondContact O-CD 3.47Å; K358-P409 WeakPolarHBondContact O-CG 3.24Å; M360-P409 HydrophobicContact CB-CB 4Å; M360-P409 HydrophobicContact CB-CG 4.46Å; M360-P409 HydrophobicContact CG-CB 3.73Å; M360-P409 HydrophobicContact CG-CG 3.91Å; M360-P409 WeakPolarHBondContact CG-O 3.49Å; T407-P409 CarbonylContact C-O 3.39Å; T407-P409 CarbonylContact O-C 3.56Å
410	P	98.3	Very high	97.6	Very high	14 Å²	14	28 Å²	28	9%	0.091	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-66.1	157.8	179.6	29.6	-36.7	0	0	0	111.3	P328 R331 M360 Y394 T407 S412	P328-P410 HydrophobicContact CB-CB 4.01Å; P328-P410 HydrophobicContact CB-CG 4.39Å; R331-P410 HydrophobicContact CB-CG 4.08Å; R331-P410 WeakPolarHBondContact O-CG 3.3Å; M360-P410 WeakPolarHBondContact CB-O 3.39Å; Y394-P410 HydrophobicContact CE2-CB 4.26Å; T407-P410 WeakPolarHBondContact O-CA 3.44Å; P410-S412 PolarHBondContact O-N 3.38Å
411	L	98.4	Very high	97.7	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-62.5	127.4	167.4	-74.1	160.4	0	0	0	109.9	M360 A385 T389 G391 Y394 Y405	M360-L411 HydrophobicContact CE-CB 4.49Å; M360-L411 HydrophobicContact CE-CD2 3.56Å; M360-L411 HydrophobicContact CE-CG 3.8Å; A385-L411 HydrophobicContact CB-CD2 4.02Å; T389-L411 HydrophobicContact CG2-CD1 3.89Å; T389-L411 HydrophobicContact CG2-CD2 4.25Å; G391-L411 WeakPolarHBondContact CA-O 3.25Å; Y394-L411 HydrophobicContact CE2-CB 3.96Å; Y394-L411 PolarHBondContact OH-N 3.49Å; Y394-L411 VanDerWaalsContact OH-N 3.09Å; Y405-L411 HydrophobicContact CD1-CD1 3.76Å; Y405-L411 HydrophobicContact CG-CD1 4.47Å
412	S	97.3	Very high	97.8	Very high	9 Å²	9	23.9 Å²	23.9	6%	0.063	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-59.5	131.1	177	176.8	0	0	0	0	110.2	E333 G391 P410 D414 T417	E333-S412 PolarHBondContact OE2-OG 3.27Å; G391-S412 PolarHBondContact N-O 3.09Å; P410-S412 PolarHBondContact O-N 3.38Å; S412-D414 PolarHBondContact O-N 3.45Å; S412-D414 PolarHBondContact OG-N 3.44Å; S412-T417 PolarHBondContact OG-OG1 2.64Å; S412-T417 VanDerWaalsContact OG-OG1 3.13Å
413	P	94.6	Very high	97.7	Very high	74 Å²	74	26.8 Å²	26.8	48%	0.481	16%	0.159	S	C	.	.	S	Bend	trans	-72.8	-4.7	177.3	31.6	-36.2	0	0	0	113.4	W395 P415	W395-P413 HydrophobicContact CZ3-CB 4.19Å; P413-P415 WeakPolarHBondContact O-CD 3.33Å
414	D	96.7	Very high	97.8	Very high	56 Å²	56	27.3 Å²	27.3	30%	0.299	16%	0.162	S	C	.	.			trans	-78.4	112	169.6	-180	-12.4	0	0	0	109.8	K362 S412 T416 T417	K362-D414 WeakPolarHBondContact CE-OD2 3.42Å; K362-D414 IonicContact NZ-OD1 3.64Å; K362-D414 IonicContact NZ-OD2 2.86Å; K362-D414 PolarHBondContact NZ-OD2 2.66Å; S412-D414 PolarHBondContact O-N 3.45Å; S412-D414 PolarHBondContact OG-N 3.44Å; D414-T416 PolarHBondContact O-N 2.8Å; D414-T416 WeakPolarHBondContact OD1-CB 3.38Å; D414-T416 PolarHBondContact OD1-N 2.78Å; D414-T416 PolarHBondContact OD1-OG1 2.88Å; D414-T416 PolarHBondContact OD2-OG1 3.14Å; D414-T417 WeakPolarHBondContact O-CB 3.31Å; D414-T417 PolarHBondContact O-N 3.17Å; D414-T417 PolarHBondContact O-OG1 3Å
415	P	96.2	Very high	97.8	Very high	86 Å²	86	27 Å²	27	56%	0.558	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-7.3	-177.1	30.8	-37.3	0	0	0	113.5	P413	P413-P415 WeakPolarHBondContact O-CD 3.33Å
416	T	97.5	Very high	97.7	Very high	75 Å²	75	27.3 Å²	27.3	46%	0.46	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	3.1	174.6	65.9	0	0	0	0	113.1	K362 D414 H420	K362-T416 VanDerWaalsContact CE-C 3.5Å; K362-T416 WeakPolarHBondContact CE-O 3.24Å; K362-T416 PolarHBondContact NZ-OG1 2.83Å; D414-T416 PolarHBondContact O-N 2.8Å; D414-T416 WeakPolarHBondContact OD1-CB 3.38Å; D414-T416 PolarHBondContact OD1-N 2.78Å; D414-T416 PolarHBondContact OD1-OG1 2.88Å; D414-T416 PolarHBondContact OD2-OG1 3.14Å; T416-H420 PolarHBondContact O-N 2.77Å
417	T	98.6	Very high	97.6	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.018	19%	0.187	C	C	.	.	H	α-helix	trans	-63.9	-47.2	174.2	-67	0	0	0	0	113.6	M360 K362 S412 D414 D419 H420 L421	M360-T417 WeakPolarHBondContact O-CG2 3.39Å; K362-T417 WeakPolarHBondContact CE-OG1 3.08Å; K362-T417 HydrophobicContact CG-CG2 4.15Å; S412-T417 PolarHBondContact OG-OG1 2.64Å; S412-T417 VanDerWaalsContact OG-OG1 3.13Å; D414-T417 WeakPolarHBondContact O-CB 3.31Å; D414-T417 PolarHBondContact O-N 3.17Å; D414-T417 PolarHBondContact O-OG1 3Å; T417-D419 VanDerWaalsContact C-N 3.29Å; T417-D419 PolarHBondContact O-N 3.14Å; T417-H420 WeakPolarHBondContact O-CB 3.43Å; T417-H420 PolarHBondContact O-N 2.95Å; T417-H420 VanDerWaalsContact O-N 3.15Å; T417-L421 HydrophobicContact CG2-CD1 3.98Å; T417-L421 HydrophobicContact CG2-CG 4.26Å; T417-L421 WeakPolarHBondContact O-CG 3.32Å; T417-L421 PolarHBondContact O-N 2.86Å
418	P	98.3	Very high	97.5	Very high	16 Å²	16	32.2 Å²	32.2	10%	0.104	20%	0.201	C	C	.	.	H	α-helix	trans	-56.3	-43.7	176.7	-26.3	35.4	0	0	0	112.5	S386 T389 H420 L421 H422	S386-P418 WeakPolarHBondContact O-CA 3.31Å; S386-P418 WeakPolarHBondContact O-CB 3.24Å; S386-P418 WeakPolarHBondContact O-CG 3.45Å; T389-P418 WeakPolarHBondContact O-CG 3.35Å; P418-H420 VanDerWaalsContact C-N 3.31Å; P418-H420 PolarHBondContact O-N 3.38Å; P418-L421 PolarHBondContact O-N 3.34Å; P418-L421 VanDerWaalsContact O-N 3.15Å; P418-H422 PolarHBondContact O-CD2 2.88Å; P418-H422 PolarHBondContact O-N 2.94Å
419	D	98.1	Very high	97.5	Very high	87 Å²	87	33 Å²	33	47%	0.465	21%	0.206	S	C	.	.	H	α-helix	trans	-60.4	-38.4	179.1	-165.1	67.7	0	0	0	113.2	T417 T423 K478	T417-D419 VanDerWaalsContact C-N 3.29Å; T417-D419 PolarHBondContact O-N 3.14Å; D419-T423 PolarHBondContact O-N 2.86Å; D419-T423 PolarHBondContact O-OG1 3.05Å; D419-K478 PolarHBondContact O-NZ 3.37Å; D419-K478 WeakPolarHBondContact OD1-CE 3.41Å; D419-K478 IonicContact OD1-NZ 3.37Å; D419-K478 PolarHBondContact OD1-NZ 3.4Å; D419-K478 IonicContact OD2-NZ 3.64Å; D419-K478 PolarHBondContact OD2-NZ 2.73Å
420	H	98.5	Very high	97.6	Very high	48 Å²	48	32.9 Å²	32.9	22%	0.222	21%	0.205	C	C	.	.	H	α-helix	trans	-66.7	-46.4	173.6	-170	75.3	0	0	0	111.6	K362 D366 T416 T417 P418 H422 T423 L424	K362-H420 HydrophobicContact CD-CB 4.2Å; K362-H420 HydrophobicContact CG-CB 3.96Å; D366-H420 IonicContact OD1-CD2 3.45Å; D366-H420 IonicContact OD1-CE1 3.56Å; D366-H420 PolarHBondContact OD1-CE1 3.11Å; D366-H420 IonicContact OD1-NE2 2.78Å; D366-H420 PolarHBondContact OD1-NE2 3.32Å; D366-H420 IonicContact OD2-NE2 2.69Å; T416-H420 PolarHBondContact O-N 2.77Å; T417-H420 WeakPolarHBondContact O-CB 3.43Å; T417-H420 PolarHBondContact O-N 2.95Å; T417-H420 VanDerWaalsContact O-N 3.15Å; P418-H420 VanDerWaalsContact C-N 3.31Å; P418-H420 PolarHBondContact O-N 3.38Å; H420-H422 PolarHBondContact O-N 3.08Å; H420-T423 WeakPolarHBondContact O-CA 3.32Å; H420-T423 WeakPolarHBondContact O-CB 3.49Å; H420-T423 PolarHBondContact O-N 3.13Å; H420-L424 PolarHBondContact O-N 3.36Å
421	L	98.7	Very high	97.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.4	-39	179.1	-64.5	177.1	0	0	0	112.3	V359 A365 P382 L387 T417 P418 T423 L424 L425 L430	V359-L421 HydrophobicContact CG1-CD2 4.18Å; A365-L421 HydrophobicContact CB-CD2 3.55Å; P382-L421 HydrophobicContact CB-CD1 4.31Å; L387-L421 HydrophobicContact CD2-CB 3.65Å; T417-L421 HydrophobicContact CG2-CD1 3.98Å; T417-L421 HydrophobicContact CG2-CG 4.26Å; T417-L421 WeakPolarHBondContact O-CG 3.32Å; T417-L421 PolarHBondContact O-N 2.86Å; P418-L421 PolarHBondContact O-N 3.34Å; P418-L421 VanDerWaalsContact O-N 3.15Å; L421-T423 VanDerWaalsContact C-N 3.29Å; L421-T423 PolarHBondContact O-N 3.46Å; L421-L424 PolarHBondContact O-N 3.04Å; L421-L425 WeakPolarHBondContact O-CG 3.23Å; L421-L425 PolarHBondContact O-N 2.78Å; L421-L430 HydrophobicContact CB-CD1 4.45Å; L421-L430 HydrophobicContact CD2-CD1 3.76Å
422	H	98.1	Very high	97.5	Very high	5 Å²	5	32.4 Å²	32.4	2%	0.023	20%	0.201	C	C	.	.	H	α-helix	trans	-59.7	-39.6	170.7	-63.6	-53	0	0	0	112.6	L387 P418 H420 L425 A426 K472 A473 K478	L387-H422 PolarHBondContact O-CE1 3.49Å; L387-H422 PolarHBondContact O-NE2 2.78Å; P418-H422 PolarHBondContact O-CD2 2.88Å; P418-H422 PolarHBondContact O-N 2.94Å; H420-H422 PolarHBondContact O-N 3.08Å; H422-L425 PolarHBondContact O-N 2.81Å; H422-A426 WeakPolarHBondContact O-CB 3.43Å; H422-A426 PolarHBondContact O-N 3.2Å; H422-K472 WeakPolarHBondContact CE1-CB 3.43Å; H422-K472 WeakPolarHBondContact NE2-CB 3.46Å; H422-A473 HydrophobicContact CB-CB 4.44Å; H422-K478 HydrophobicContact CB-CD 4.22Å
423	T	98	Very high	97.6	Very high	62 Å²	62	32 Å²	32	38%	0.38	20%	0.198	S	C	.	.	H	α-helix	trans	-66.1	-42.4	179.4	-50.8	0	0	0	0	110.7	D419 H420 L421 A426 C427 K478	D419-T423 PolarHBondContact O-N 2.86Å; D419-T423 PolarHBondContact O-OG1 3.05Å; H420-T423 WeakPolarHBondContact O-CA 3.32Å; H420-T423 WeakPolarHBondContact O-CB 3.49Å; H420-T423 PolarHBondContact O-N 3.13Å; L421-T423 VanDerWaalsContact C-N 3.29Å; L421-T423 PolarHBondContact O-N 3.46Å; T423-A426 PolarHBondContact O-N 3.49Å; T423-C427 PolarHBondContact O-N 2.89Å; T423-C427 PolarHBondContact O-SG 2.87Å; T423-C427 VanDerWaalsContact O-SG 3.41Å; T423-K478 PolarHBondContact OG1-NZ 3.44Å
424	L	98.4	Very high	97.7	Very high	12 Å²	12	28.4 Å²	28.4	6%	0.063	18%	0.175	C	C	.	.	H	α-helix	trans	-71.5	-29.6	177.3	-64.4	-179.5	0	0	0	113.5	A365 H420 L421 G428 D429 L430	A365-L424 HydrophobicContact CB-CD1 3.46Å; A365-L424 VanDerWaalsContact CB-CD1 3.46Å; H420-L424 PolarHBondContact O-N 3.36Å; L421-L424 PolarHBondContact O-N 3.04Å; L424-G428 PolarHBondContact O-N 3.39Å; L424-D429 HydrophobicContact CB-CB 4.33Å; L424-D429 HydrophobicContact CD2-CB 4.07Å; L424-D429 PolarHBondContact O-N 3.19Å; L424-L430 HydrophobicContact CB-CD1 3.82Å; L424-L430 HydrophobicContact CB-CG 3.89Å; L424-L430 PolarHBondContact O-N 2.77Å
425	L	97.7	Very high	97.8	Very high	4 Å²	4	25.8 Å²	25.8	2%	0.021	16%	0.161	C	C	.	.	H	α-helix	trans	-65.2	-48	167	-77.3	166.8	0	0	0	111.3	P382 L387 L421 H422 C427 G428 L430 V433 M479 V487	P382-L425 HydrophobicContact CG-CD1 3.82Å; P382-L425 HydrophobicContact CG-CD2 3.85Å; P382-L425 HydrophobicContact CG-CG 3.92Å; L387-L425 HydrophobicContact CD1-CD1 3.82Å; L387-L425 HydrophobicContact CD2-CD1 3.72Å; L387-L425 HydrophobicContact CG-CD1 4.45Å; L421-L425 WeakPolarHBondContact O-CG 3.23Å; L421-L425 PolarHBondContact O-N 2.78Å; H422-L425 PolarHBondContact O-N 2.81Å; L425-C427 VanDerWaalsContact C-N 3.34Å; L425-C427 PolarHBondContact O-N 2.98Å; L425-G428 PolarHBondContact O-N 2.97Å; L425-L430 HydrophobicContact CD2-CB 3.76Å; L425-L430 HydrophobicContact CG-CB 4.03Å; L425-V433 HydrophobicContact CD1-CG2 3.68Å; L425-V433 HydrophobicContact CD2-CG2 3.83Å; L425-V433 HydrophobicContact CG-CG2 4.44Å; L425-M479 HydrophobicContact CB-CE 3.78Å; L425-V487 HydrophobicContact CD2-CB 4.33Å; L425-V487 HydrophobicContact CD2-CG1 4.18Å
426	A	97.6	Very high	97.9	Very high	12 Å²	12	22 Å²	22	10%	0.099	14%	0.137	C	C	.	.	H	α-helix	trans	-64	-34.5	-178.2	0	0	0	0	0	113.4	H422 T423 G428 K478 M479 Q483	H422-A426 WeakPolarHBondContact O-CB 3.43Å; H422-A426 PolarHBondContact O-N 3.2Å; T423-A426 PolarHBondContact O-N 3.49Å; A426-G428 VanDerWaalsContact C-N 3.33Å; A426-K478 VanDerWaalsContact CB-O 3.27Å; A426-K478 WeakPolarHBondContact CB-O 3.34Å; A426-M479 HydrophobicContact CB-CB 4.17Å; A426-M479 HydrophobicContact CB-CE 4.23Å; A426-Q483 PolarHBondContact O-NE2 2.92Å
427	C	95.9	Very high	98	Very high	75 Å²	75	18.4 Å²	18.4	51%	0.507	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	3.5	173.3	73.6	0	0	0	0	114.3	T423 L425 D429	T423-C427 PolarHBondContact O-N 2.89Å; T423-C427 PolarHBondContact O-SG 2.87Å; T423-C427 VanDerWaalsContact O-SG 3.41Å; L425-C427 VanDerWaalsContact C-N 3.34Å; L425-C427 PolarHBondContact O-N 2.98Å; C427-D429 VanDerWaalsContact C-N 3.28Å; C427-D429 PolarHBondContact O-N 3.16Å; C427-D429 PolarHBondContact SG-OD2 3.1Å
428	G	96.1	Very high	97.9	Very high	33 Å²	33	18.4 Å²	18.4	34%	0.34	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	16.9	177.1	0	0	0	0	0	115.2	R372 L424 L425 A426 L430 Q431	R372-G428 PolarHBondContact NH2-O 3.49Å; R372-G428 VanDerWaalsContact NH2-O 3.14Å; L424-G428 PolarHBondContact O-N 3.39Å; L425-G428 PolarHBondContact O-N 2.97Å; A426-G428 VanDerWaalsContact C-N 3.33Å; G428-L430 CarbonylContact C-O 3.48Å; G428-Q431 PolarHBondContact O-NE2 2.99Å
429	D	97.3	Very high	97.8	Very high	19 Å²	19	17.8 Å²	17.8	10%	0.102	11%	0.111	C	C	.	.	S	Bend	trans	-78.2	-28.4	172.1	-87.9	-36.3	0	0	0	111.4	T369 R372 R373 L424 C427 Q431	T369-D429 HydrophobicContact CG2-CB 4.18Å; T369-D429 VanDerWaalsContact CG2-OD2 3.27Å; T369-D429 WeakPolarHBondContact CG2-OD2 3.39Å; T369-D429 WeakPolarHBondContact OG1-CB 3.43Å; R372-D429 WeakPolarHBondContact CD-O 3.45Å; R373-D429 IonicContact CZ-OD2 2.7Å; R373-D429 IonicContact NE-OD2 4Å; R373-D429 IonicContact NH2-OD2 2.81Å; R373-D429 PolarHBondContact NH2-OD2 3.42Å; L424-D429 HydrophobicContact CB-CB 4.33Å; L424-D429 HydrophobicContact CD2-CB 4.07Å; L424-D429 PolarHBondContact O-N 3.19Å; C427-D429 VanDerWaalsContact C-N 3.28Å; C427-D429 PolarHBondContact O-N 3.16Å; C427-D429 PolarHBondContact SG-OD2 3.1Å; D429-Q431 PolarHBondContact O-NE2 3.28Å
430	L	98.4	Very high	97.8	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	-106	153.8	156.9	-59.6	172.1	0	0	0	109.2	V359 A365 I368 P382 L421 L424 L425 G428	V359-L430 HydrophobicContact CG1-CD2 4.42Å; V359-L430 HydrophobicContact CG2-CD2 4.47Å; A365-L430 HydrophobicContact CB-CD1 4.22Å; A365-L430 HydrophobicContact CB-CD2 4.39Å; I368-L430 HydrophobicContact CD1-CD2 4.2Å; I368-L430 HydrophobicContact CG2-CD2 4.44Å; P382-L430 HydrophobicContact CB-CD1 4.38Å; P382-L430 HydrophobicContact CG-CB 4.43Å; P382-L430 HydrophobicContact CG-CD1 3.88Å; L421-L430 HydrophobicContact CB-CD1 4.45Å; L421-L430 HydrophobicContact CD2-CD1 3.76Å; L424-L430 HydrophobicContact CB-CD1 3.82Å; L424-L430 HydrophobicContact CB-CG 3.89Å; L424-L430 PolarHBondContact O-N 2.77Å; L425-L430 HydrophobicContact CD2-CB 3.76Å; L425-L430 HydrophobicContact CG-CB 4.03Å; G428-L430 CarbonylContact C-O 3.48Å
431	Q	97.8	Very high	97.7	Very high	4 Å²	4	12.8 Å²	12.8	2%	0.019	9%	0.086	C	C	.	.			trans	-123.1	-31.3	-165.2	-69.8	76.1	55.4	0	0	116.4	R372 F379 G380 G428 D429 N491 I495	R372-Q431 VanDerWaalsContact NE-NE2 3.11Å; F379-Q431 HydrophobicContact CD1-CG 4.14Å; G380-Q431 PolarHBondContact O-N 3.37Å; G380-Q431 VanDerWaalsContact O-N 3.1Å; G428-Q431 PolarHBondContact O-NE2 2.99Å; D429-Q431 PolarHBondContact O-NE2 3.28Å; Q431-N491 VanDerWaalsContact O-CB 3.3Å; Q431-N491 WeakPolarHBondContact O-CB 3.35Å; Q431-N491 PolarHBondContact O-ND2 3.47Å; Q431-I495 HydrophobicContact CB-CD1 4.5Å
432	V	97.7	Very high	97.6	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	10%	0.101	C	C	.	.			trans	-139.7	148.2	-172.9	-176.1	0	0	0	0	108.8	V176 E381 P382 V487 N491 A492 I495	V176-V432 HydrophobicContact CB-CG1 4.36Å; V176-V432 HydrophobicContact CG1-CG1 3.9Å; V176-V432 HydrophobicContact CG2-CG1 3.53Å; E381-V432 WeakPolarHBondContact CA-O 3.42Å; P382-V432 WeakPolarHBondContact CD-O 3.42Å; V432-V487 WeakPolarHBondContact CA-O 3.33Å; V432-N491 HydrophobicContact CG2-CB 3.8Å; V432-A492 HydrophobicContact CG1-CB 3.98Å; V432-I495 HydrophobicContact CG2-CD1 3.61Å
433	V	98.6	Very high	97.5	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	13%	0.129	C	C	.	.			trans	-112.3	117.9	171.1	-178.3	0	0	0	0	109.9	P382 L387 L425 R465 V469 V487	P382-V433 WeakPolarHBondContact O-CA 3.17Å; L387-V433 HydrophobicContact CD1-CB 4.26Å; L387-V433 HydrophobicContact CD1-CG1 3.47Å; L387-V433 VanDerWaalsContact CD1-CG1 3.47Å; L387-V433 HydrophobicContact CD1-CG2 3.73Å; L425-V433 HydrophobicContact CD1-CG2 3.68Å; L425-V433 HydrophobicContact CD2-CG2 3.83Å; L425-V433 HydrophobicContact CG-CG2 4.44Å; V433-R465 HydrophobicContact CG1-CG 3.91Å; V433-R465 WeakPolarHBondContact O-CD 3.41Å; V433-R465 PolarHBondContact O-NH1 3.19Å; V433-V469 HydrophobicContact CB-CG2 4.15Å; V433-V469 HydrophobicContact CG1-CG2 3.87Å; V433-V469 HydrophobicContact CG2-CG2 3.9Å; V433-V487 HydrophobicContact CG2-CB 4.46Å; V433-V487 HydrophobicContact CG2-CG2 4.39Å; V433-V487 PolarHBondContact N-O 2.88Å
434	G	98.6	Very high	97.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	-93.5	178.7	165.5	0	0	0	0	0	111.7	D175 P382 I383 T384	D175-G434 VanDerWaalsContact OD1-CA 3.24Å; D175-G434 WeakPolarHBondContact OD1-CA 3.41Å; P382-G434 PolarHBondContact O-N 2.63Å; I383-G434 CarbonylContact C-O 3.59Å; I383-G434 VanDerWaalsContact CA-O 3.23Å; I383-G434 WeakPolarHBondContact CA-O 3.21Å; T384-G434 PolarHBondContact N-O 3.5Å; T384-G434 VanDerWaalsContact N-O 3.11Å
435	S	98.4	Very high	97.4	Very high	0 Å²	0	17 Å²	17	0%	0	12%	0.115	C	C	.	.			trans	-101.8	-26.7	165.8	61.4	0	0	0	0	114	D175 N177 T384 H437 G461	D175-S435 PolarHBondContact OD1-N 3.25Å; D175-S435 WeakPolarHBondContact OD2-CB 3.19Å; D175-S435 PolarHBondContact OD2-N 3.37Å; D175-S435 PolarHBondContact OD2-OG 3.45Å; N177-S435 PolarHBondContact O-OG 2.84Å; T384-S435 WeakPolarHBondContact OG1-CA 3.2Å; S435-H437 PolarHBondContact O-N 3.42Å; S435-H437 WeakPolarHBondContact OG-CB 3.34Å; S435-H437 PolarHBondContact OG-N 3.15Å; S435-H437 VanDerWaalsContact OG-N 3.12Å; S435-G461 VanDerWaalsContact CB-C 3.45Å; S435-G461 WeakPolarHBondContact CB-O 3.45Å
436	A	97.9	Very high	97.4	Very high	6 Å²	6	18.7 Å²	18.7	5%	0.05	13%	0.129	C	C	.	.			trans	49.4	35	-161	0	0	0	0	0	112.7	N177 K358 I383 C438	N177-A436 WeakPolarHBondContact O-CA 3.5Å; N177-A436 PolarHBondContact O-N 3.14Å; K358-A436 HydrophobicContact CD-CB 3.76Å; K358-A436 HydrophobicContact CG-CB 3.85Å; I383-A436 HydrophobicContact CB-CB 4.43Å; I383-A436 HydrophobicContact CD1-CB 3.8Å; I383-A436 HydrophobicContact CG2-CB 3.89Å; A436-C438 PolarHBondContact O-N 3.38Å; A436-C438 VanDerWaalsContact O-N 3.14Å
437	H	98.6	Very high	97.4	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	14%	0.142	C	C	.	.	B	Isolated β-bridge	trans	-62	117.2	-174.3	178.8	93.9	0	0	0	111.3	N177 T178 C179 D191 S435 T459 N460 G461 V462	N177-H437 PolarHBondContact O-N 3.25Å; T178-H437 HydrophobicContact CG2-CB 4.48Å; C179-H437 PolarHBondContact N-O 3.34Å; D191-H437 IonicContact OD2-CE1 2.8Å; D191-H437 PolarHBondContact OD2-CE1 2.83Å; D191-H437 IonicContact OD2-NE2 3.22Å; D191-H437 PolarHBondContact OD2-NE2 3.33Å; S435-H437 PolarHBondContact O-N 3.42Å; S435-H437 WeakPolarHBondContact OG-CB 3.34Å; S435-H437 PolarHBondContact OG-N 3.15Å; S435-H437 VanDerWaalsContact OG-N 3.12Å; H437-T459 WeakPolarHBondContact CA-O 3.42Å; H437-N460 WeakPolarHBondContact ND1-CA 3.46Å; H437-G461 PolarHBondContact ND1-N 3.17Å; H437-V462 HydrophobicContact CB-CB 3.79Å; H437-V462 HydrophobicContact CB-CG1 4.32Å
438	C	97.7	Very high	97.4	Very high	3 Å²	3	18 Å²	18	2%	0.02	12%	0.117	C	C	.	.			trans	-149.7	78.9	-178.7	-167.2	0	0	0	0	107.9	C179 A436 Y440 G458 T459	C179-C438 HydrophobicContact CB-CB 3.77Å; A436-C438 PolarHBondContact O-N 3.38Å; A436-C438 VanDerWaalsContact O-N 3.14Å; C438-Y440 WeakPolarHBondContact SG-CE2 3.44Å; C438-G458 CarbonylContact O-C 3.29Å; C438-G458 WeakPolarHBondContact O-CA 3.41Å; C438-T459 PolarHBondContact N-O 3.39Å; C438-T459 PolarHBondContact O-N 3.07Å
439	A	96.3	Very high	97.5	Very high	3 Å²	3	21.6 Å²	21.6	3%	0.025	12%	0.124	C	C	.	.			trans	-78.5	130.7	-173.9	0	0	0	0	0	112.4	P189 V190 D191 A533	P189-A439 CarbonylContact C-O 3.59Å; P189-A439 VanDerWaalsContact CA-O 3.25Å; P189-A439 WeakPolarHBondContact CA-O 3.43Å; P189-A439 VanDerWaalsContact CB-O 3.3Å; P189-A439 WeakPolarHBondContact CB-O 3.3Å; V190-A439 HydrophobicContact CG2-CB 3.63Å; V190-A439 PolarHBondContact N-O 2.97Å; D191-A439 HydrophobicContact CB-CB 4.26Å; D191-A439 VanDerWaalsContact OD2-CB 3.28Å; D191-A439 WeakPolarHBondContact OD2-CB 3.31Å; A439-A533 HydrophobicContact CB-CB 4.16Å
440	Y	97.1	Very high	97.5	Very high	15 Å²	15	26.8 Å²	26.8	6%	0.059	15%	0.147	C	C	.	.			trans	-125	145.6	170.1	-62.9	-78.7	0	0	0	109.5	K182 P189 C438 Q444 P456	K182-Y440 PolarHBondContact O-OH 3.4Å; P189-Y440 HydrophobicContact CG-CE1 4.28Å; C438-Y440 WeakPolarHBondContact SG-CE2 3.44Å; Y440-Q444 HydrophobicContact CD1-CB 4.47Å; Y440-P456 HydrophobicContact CD1-CB 4.05Å; Y440-P456 HydrophobicContact CD2-CB 3.7Å; Y440-P456 HydrophobicContact CE1-CB 4.14Å; Y440-P456 HydrophobicContact CE2-CB 3.8Å; Y440-P456 HydrophobicContact CG-CB 3.82Å; Y440-P456 HydrophobicContact CG-CG 4.46Å
441	S	96.4	Very high	97.5	Very high	14 Å²	14	28.7 Å²	28.7	10%	0.098	16%	0.158	C	C	.	.			trans	-66.9	165.9	176.9	69.4	0	0	0	0	112.2	S443 Q444 K445	S441-S443 PolarHBondContact O-N 3.38Å; S441-S443 PolarHBondContact OG-N 2.79Å; S441-S443 PolarHBondContact OG-OG 3.12Å; S441-Q444 PolarHBondContact O-N 2.89Å; S441-Q444 WeakPolarHBondContact OG-CG 3.27Å; S441-Q444 PolarHBondContact OG-N 3.43Å; S441-Q444 PolarHBondContact OG-OE1 2.69Å; S441-K445 WeakPolarHBondContact O-CG 3.48Å; S441-K445 PolarHBondContact O-N 2.82Å
442	T	96.1	Very high	97.5	Very high	51 Å²	51	28.6 Å²	28.6	31%	0.313	16%	0.157	S	C	.	.	H	α-helix	trans	-58.5	-36.9	171.7	-45.9	0	0	0	0	111.3	A400 K445 A446 E534	A400-T442 HydrophobicContact CB-CG2 3.61Å; T442-K445 PolarHBondContact O-N 3.45Å; T442-A446 WeakPolarHBondContact O-CB 3.31Å; T442-A446 PolarHBondContact O-N 2.96Å; T442-E534 WeakPolarHBondContact CB-OE2 3.44Å; T442-E534 PolarHBondContact N-OE2 3.29Å; T442-E534 PolarHBondContact OG1-OE2 3.43Å
443	S	96.5	Very high	97.5	Very high	88 Å²	88	30.3 Å²	30.3	62%	0.615	17%	0.168	S	C	*	.	H	α-helix	trans	-69.9	-33.8	178.3	53.2	0	0	0	0	113.5	S441	S441-S443 PolarHBondContact O-N 3.38Å; S441-S443 PolarHBondContact OG-N 2.79Å; S441-S443 PolarHBondContact OG-OG 3.12Å
444	Q	97.3	Very high	97.4	Very high	23 Å²	23	33.8 Å²	33.8	11%	0.107	19%	0.186	C	C	.	.	H	α-helix	trans	-71.8	-44.5	171.8	-72.8	175.7	-62	0	0	111.4	T187 Q188 Y440 S441 A446 I447 P456	T187-Q444 PolarHBondContact OG1-NE2 2.99Å; Q188-Q444 PolarHBondContact O-NE2 3.39Å; Y440-Q444 HydrophobicContact CD1-CB 4.47Å; S441-Q444 PolarHBondContact O-N 2.89Å; S441-Q444 WeakPolarHBondContact OG-CG 3.27Å; S441-Q444 PolarHBondContact OG-N 3.43Å; S441-Q444 PolarHBondContact OG-OE1 2.69Å; Q444-A446 PolarHBondContact O-N 3.01Å; Q444-I447 WeakPolarHBondContact O-CB 3.39Å; Q444-I447 WeakPolarHBondContact O-CD1 3.41Å; Q444-I447 WeakPolarHBondContact O-CG1 3.41Å; Q444-I447 PolarHBondContact O-N 2.85Å; Q444-I447 VanDerWaalsContact O-N 3.13Å; Q444-P456 HydrophobicContact CB-CG 4.43Å; Q444-P456 WeakPolarHBondContact O-CD 3.44Å; Q444-P456 VanDerWaalsContact O-CG 3.24Å; Q444-P456 WeakPolarHBondContact O-CG 3.45Å
445	K	97.7	Very high	97.4	Very high	7 Å²	7	33.9 Å²	33.9	3%	0.03	19%	0.186	C	C	.	.	H	α-helix	trans	-54.6	-40.8	173.5	-70.6	-71.2	-169.7	165.4	0	111	W399 A403 V406 S441 T442 I447 G448 I455 P456 G458	W399-K445 HydrophobicContact CH2-CB 4.42Å; W399-K445 WeakPolarHBondContact CH2-O 3.35Å; A403-K445 HydrophobicContact CB-CB 4.24Å; A403-K445 WeakPolarHBondContact O-CD 3.4Å; A403-K445 WeakPolarHBondContact O-CE 3.32Å; A403-K445 PolarHBondContact O-NZ 3.36Å; V406-K445 PolarHBondContact O-NZ 2.95Å; S441-K445 WeakPolarHBondContact O-CG 3.48Å; S441-K445 PolarHBondContact O-N 2.82Å; T442-K445 PolarHBondContact O-N 3.45Å; K445-I447 PolarHBondContact O-N 3.29Å; K445-G448 PolarHBondContact O-N 2.9Å; K445-I455 HydrophobicContact CB-CG2 4.41Å; K445-I455 HydrophobicContact CD-CG2 3.62Å; K445-P456 WeakPolarHBondContact CD-O 3.5Å; K445-P456 WeakPolarHBondContact CE-O 3.39Å; K445-P456 PolarHBondContact NZ-O 2.83Å; K445-G458 PolarHBondContact NZ-O 3.2Å
446	A	97.2	Very high	97.3	Very high	38 Å²	38	33.9 Å²	33.9	31%	0.314	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-63.5	-5	179.9	0	0	0	0	0	115.9	W399 T442 Q444 G448 K449	W399-A446 HydrophobicContact CH2-CB 4.37Å; W399-A446 HydrophobicContact CZ3-CB 4.17Å; T442-A446 WeakPolarHBondContact O-CB 3.31Å; T442-A446 PolarHBondContact O-N 2.96Å; Q444-A446 PolarHBondContact O-N 3.01Å; A446-G448 PolarHBondContact O-N 3.01Å; A446-K449 VanDerWaalsContact O-CB 3.31Å; A446-K449 WeakPolarHBondContact O-CB 3.47Å; A446-K449 PolarHBondContact O-N 3.44Å; A446-K449 VanDerWaalsContact O-N 3.14Å
447	I	97	Very high	97.3	Very high	72 Å²	72	34.9 Å²	34.9	37%	0.369	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-54	-41.6	166.4	-67.5	168.5	0	0	0	110.4	Y184 L185 Q444 K445 K449	Y184-I447 HydrophobicContact CD1-CD1 4.3Å; Y184-I447 HydrophobicContact CE1-CD1 4.43Å; Y184-I447 HydrophobicContact CE1-CG2 4.35Å; L185-I447 HydrophobicContact CD1-CG2 4.12Å; Q444-I447 WeakPolarHBondContact O-CB 3.39Å; Q444-I447 WeakPolarHBondContact O-CD1 3.41Å; Q444-I447 WeakPolarHBondContact O-CG1 3.41Å; Q444-I447 PolarHBondContact O-N 2.85Å; Q444-I447 VanDerWaalsContact O-N 3.13Å; K445-I447 PolarHBondContact O-N 3.29Å; I447-K449 PolarHBondContact O-N 2.91Å
448	G	96.8	Very high	97.1	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-93.9	31	176.2	0	0	0	0	0	115	K445 A446 E450 D451 L454 I455	K445-G448 PolarHBondContact O-N 2.9Å; A446-G448 PolarHBondContact O-N 3.01Å; G448-E450 VanDerWaalsContact C-N 3.3Å; G448-E450 PolarHBondContact O-N 3.11Å; G448-D451 CarbonylContact C-O 3.58Å; G448-D451 WeakPolarHBondContact CA-O 3.36Å; G448-D451 CarbonylContact O-C 3.59Å; G448-D451 VanDerWaalsContact O-C 3.29Å; G448-D451 PolarHBondContact O-N 2.93Å; G448-L454 PolarHBondContact N-O 3.37Å; G448-I455 WeakPolarHBondContact O-CG1 3.47Å
449	K	97.4	Very high	97.1	Very high	110 Å²	110	35 Å²	35	48%	0.478	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-39.2	-179	179.9	177.2	171.7	-80.8	0	113.6	W399 A446 I447	W399-K449 VanDerWaalsContact CZ2-CA 3.47Å; W399-K449 HydrophobicContact CZ2-CB 4.22Å; W399-K449 PolarHBondContact NE1-O 3.37Å; A446-K449 VanDerWaalsContact O-CB 3.31Å; A446-K449 WeakPolarHBondContact O-CB 3.47Å; A446-K449 PolarHBondContact O-N 3.44Å; A446-K449 VanDerWaalsContact O-N 3.14Å; I447-K449 PolarHBondContact O-N 2.91Å
450	E	97.6	Very high	97.1	Very high	127 Å²	127	35 Å²	35	59%	0.593	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.6	3	-178.9	-47	-60	152.8	0	0	112.7	T322 G448	T322-E450 VanDerWaalsContact CB-O 3.27Å; T322-E450 WeakPolarHBondContact CB-O 3.41Å; T322-E450 WeakPolarHBondContact CG2-O 3.39Å; G448-E450 VanDerWaalsContact C-N 3.3Å; G448-E450 PolarHBondContact O-N 3.11Å
451	D	98.3	Very high	97.1	Very high	41 Å²	41	34.3 Å²	34.3	22%	0.219	19%	0.188	C	C	.	.			trans	-157.9	106.9	178.9	-176.6	-20.7	0	0	0	109.5	G448 T453 L454	G448-D451 CarbonylContact C-O 3.58Å; G448-D451 WeakPolarHBondContact CA-O 3.36Å; G448-D451 CarbonylContact O-C 3.59Å; G448-D451 VanDerWaalsContact O-C 3.29Å; G448-D451 PolarHBondContact O-N 2.93Å; D451-T453 VanDerWaalsContact CG-OG1 3.28Å; D451-T453 PolarHBondContact O-N 3.44Å; D451-T453 VanDerWaalsContact O-N 3.11Å; D451-T453 VanDerWaalsContact OD1-CB 3.28Å; D451-T453 WeakPolarHBondContact OD1-CB 3.49Å; D451-T453 WeakPolarHBondContact OD1-CG2 3.44Å; D451-T453 PolarHBondContact OD1-N 2.78Å; D451-T453 PolarHBondContact OD1-OG1 3.45Å; D451-T453 PolarHBondContact OD2-OG1 2.77Å; D451-L454 HydrophobicContact CB-CD1 4.15Å; D451-L454 HydrophobicContact CB-CG 4.24Å; D451-L454 PolarHBondContact O-N 3.47Å
452	F	98.5	Very high	97.2	Very high	1 Å²	1	33.8 Å²	33.8	0%	0.004	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-59.2	-24.2	-178.2	73.8	-91.7	0	0	0	114.1	Q313 I316 L317 T322 G323 G326 H327 L454 I455	Q313-F452 HydrophobicContact CB-CZ 4.46Å; Q313-F452 HydrophobicContact CG-CE2 4.09Å; Q313-F452 HydrophobicContact CG-CZ 4.22Å; I316-F452 HydrophobicContact CB-CE1 4.42Å; I316-F452 HydrophobicContact CB-CZ 4.39Å; I316-F452 HydrophobicContact CG2-CE1 3.68Å; I316-F452 HydrophobicContact CG2-CZ 3.94Å; L317-F452 HydrophobicContact CD2-CD1 3.91Å; L317-F452 HydrophobicContact CD2-CE1 3.7Å; L317-F452 HydrophobicContact CG-CE1 3.89Å; T322-F452 PolarHBondContact O-N 2.75Å; G323-F452 WeakPolarHBondContact O-CB 3.48Å; G326-F452 VanDerWaalsContact O-CE2 3.3Å; G326-F452 WeakPolarHBondContact O-CE2 3.35Å; G326-F452 WeakPolarHBondContact O-CZ 3.31Å; H327-F452 HydrophobicContact CB-CD2 3.84Å; H327-F452 HydrophobicContact CB-CE2 4.42Å; H327-F452 VanDerWaalsContact N-CD2 3.31Å; F452-L454 PolarHBondContact O-N 2.83Å; F452-I455 HydrophobicContact CB-CD1 4.14Å; F452-I455 PolarHBondContact O-N 2.82Å
453	T	97.6	Very high	97.3	Very high	36 Å²	36	32 Å²	32	22%	0.221	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-70.3	-17.2	179.3	74.2	0	0	0	0	112.5	Q313 L317 D451	Q313-T453 HydrophobicContact CB-CG2 4.06Å; Q313-T453 HydrophobicContact CG-CG2 4.01Å; L317-T453 HydrophobicContact CD1-CG2 3.9Å; D451-T453 VanDerWaalsContact CG-OG1 3.28Å; D451-T453 PolarHBondContact O-N 3.44Å; D451-T453 VanDerWaalsContact O-N 3.11Å; D451-T453 VanDerWaalsContact OD1-CB 3.28Å; D451-T453 WeakPolarHBondContact OD1-CB 3.49Å; D451-T453 WeakPolarHBondContact OD1-CG2 3.44Å; D451-T453 PolarHBondContact OD1-N 2.78Å; D451-T453 PolarHBondContact OD1-OG1 3.45Å; D451-T453 PolarHBondContact OD2-OG1 2.77Å
454	L	97.3	Very high	97.4	Very high	74 Å²	74	28.2 Å²	28.2	39%	0.387	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	-99.3	7.4	177.3	-57.4	-179.4	0	0	0	113.4	Y184 G448 D451 F452 P456	Y184-L454 VanDerWaalsContact OH-C 3.23Å; Y184-L454 VanDerWaalsContact OH-CA 3.31Å; Y184-L454 WeakPolarHBondContact OH-CA 3.49Å; Y184-L454 PolarHBondContact OH-O 3.44Å; Y184-L454 VanDerWaalsContact OH-O 3.06Å; G448-L454 PolarHBondContact N-O 3.37Å; D451-L454 HydrophobicContact CB-CD1 4.15Å; D451-L454 HydrophobicContact CB-CG 4.24Å; D451-L454 PolarHBondContact O-N 3.47Å; F452-L454 PolarHBondContact O-N 2.83Å; L454-P456 WeakPolarHBondContact O-CD 3.48Å
455	I	98.3	Very high	97.5	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	14%	0.14	C	C	.	.	S	Bend	trans	-79	123.1	174.1	-60.3	173.6	0	0	0	108.8	P324 W399 A403 V406 K445 G448 F452 E457	P324-I455 HydrophobicContact CB-CD1 4.21Å; P324-I455 HydrophobicContact CG-CD1 3.93Å; W399-I455 HydrophobicContact CH2-CD1 4.46Å; W399-I455 HydrophobicContact CZ2-CD1 3.77Å; W399-I455 HydrophobicContact CZ2-CG1 4.15Å; A403-I455 HydrophobicContact CB-CD1 4.27Å; A403-I455 HydrophobicContact CB-CG2 4.41Å; V406-I455 HydrophobicContact CB-CG2 3.86Å; V406-I455 HydrophobicContact CG1-CB 4.14Å; V406-I455 HydrophobicContact CG1-CG2 3.88Å; V406-I455 HydrophobicContact CG2-CD1 4.18Å; V406-I455 HydrophobicContact CG2-CG2 4.09Å; K445-I455 HydrophobicContact CB-CG2 4.41Å; K445-I455 HydrophobicContact CD-CG2 3.62Å; G448-I455 WeakPolarHBondContact O-CG1 3.47Å; F452-I455 HydrophobicContact CB-CD1 4.14Å; F452-I455 PolarHBondContact O-N 2.82Å; I455-E457 PolarHBondContact O-N 3.26Å
456	P	96.8	Very high	97.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-53.1	125.1	173.5	-9.5	3.3	0	0	0	112.7	Y184 Y440 Q444 K445 L454	Y184-P456 HydrophobicContact CD1-CB 3.77Å; Y184-P456 HydrophobicContact CD1-CG 3.61Å; Y184-P456 HydrophobicContact CD2-CB 4.29Å; Y184-P456 HydrophobicContact CE1-CB 4.19Å; Y184-P456 HydrophobicContact CE1-CG 3.86Å; Y184-P456 HydrophobicContact CG-CB 3.82Å; Y184-P456 HydrophobicContact CG-CG 4.2Å; Y440-P456 HydrophobicContact CD1-CB 4.05Å; Y440-P456 HydrophobicContact CD2-CB 3.7Å; Y440-P456 HydrophobicContact CE1-CB 4.14Å; Y440-P456 HydrophobicContact CE2-CB 3.8Å; Y440-P456 HydrophobicContact CG-CB 3.82Å; Y440-P456 HydrophobicContact CG-CG 4.46Å; Q444-P456 HydrophobicContact CB-CG 4.43Å; Q444-P456 WeakPolarHBondContact O-CD 3.44Å; Q444-P456 VanDerWaalsContact O-CG 3.24Å; Q444-P456 WeakPolarHBondContact O-CG 3.45Å; K445-P456 WeakPolarHBondContact CD-O 3.5Å; K445-P456 WeakPolarHBondContact CE-O 3.39Å; K445-P456 PolarHBondContact NZ-O 2.83Å; L454-P456 WeakPolarHBondContact O-CD 3.48Å
457	E	96.2	Very high	97.5	Very high	27 Å²	27	25.4 Å²	25.4	13%	0.126	13%	0.128	C	C	.	.	P	Polyproline II helix	trans	-85.7	116.8	-175.1	-55	179.7	164.4	0	0	111.1	Y274 H327 R331 V406 S408 I455	Y274-E457 WeakPolarHBondContact CE1-OE2 3.35Å; Y274-E457 VanDerWaalsContact CZ-OE2 3.31Å; Y274-E457 PolarHBondContact OH-OE2 2.95Å; H327-E457 IonicContact CE1-OE1 3.33Å; R331-E457 IonicContact CZ-OE1 3.67Å; R331-E457 VanDerWaalsContact CZ-OE1 3.26Å; R331-E457 IonicContact NH1-OE1 2.65Å; R331-E457 PolarHBondContact NH1-OE1 2.8Å; R331-E457 IonicContact NH1-OE2 3.92Å; R331-E457 IonicContact NH2-OE1 2.81Å; R331-E457 PolarHBondContact NH2-OE1 2.78Å; V406-E457 HydrophobicContact CG1-CG 4.5Å; S408-E457 VanDerWaalsContact CB-OE2 3.28Å; S408-E457 WeakPolarHBondContact CB-OE2 3.23Å; S408-E457 PolarHBondContact OG-OE1 2.85Å; S408-E457 VanDerWaalsContact OG-OE1 3.1Å; S408-E457 PolarHBondContact OG-OE2 2.94Å; I455-E457 PolarHBondContact O-N 3.26Å
458	G	96	Very high	97.6	Very high	3 Å²	3	22 Å²	22	3%	0.031	11%	0.111	C	C	.	.			trans	161	153.3	-177.8	0	0	0	0	0	114.1	V406 C438 K445	V406-G458 PolarHBondContact O-N 3.07Å; C438-G458 CarbonylContact O-C 3.29Å; C438-G458 WeakPolarHBondContact O-CA 3.41Å; K445-G458 PolarHBondContact NZ-O 3.2Å
459	T	97.2	Very high	97.7	Very high	3 Å²	3	22.1 Å²	22.1	2%	0.018	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	-137.9	164.6	-177.2	50.4	0	0	0	0	111.5	T407 H437 C438 I537	T407-T459 HydrophobicContact CG2-CG2 4.2Å; H437-T459 WeakPolarHBondContact CA-O 3.42Å; C438-T459 PolarHBondContact N-O 3.39Å; C438-T459 PolarHBondContact O-N 3.07Å; T459-I537 HydrophobicContact CG2-CD1 3.91Å; T459-I537 HydrophobicContact CG2-CG2 4.11Å
460	N	96.4	Very high	97.7	Very high	5 Å²	5	17.5 Å²	17.5	3%	0.027	9%	0.091	C	C	.	.			trans	-76.6	175.2	165.8	70	-73.6	0	0	0	111.6	H437 E464 N536 I537	H437-N460 WeakPolarHBondContact ND1-CA 3.46Å; N460-E464 PolarHBondContact ND2-OE1 3.04Å; N460-N536 PolarHBondContact ND2-ND2 2.87Å; N460-N536 PolarHBondContact ND2-OD1 3.06Å; N460-N536 WeakPolarHBondContact OD1-CA 3.39Å; N460-I537 WeakPolarHBondContact OD1-CG1 3.49Å; N460-I537 PolarHBondContact OD1-N 2.97Å
461	G	97.4	Very high	97.7	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.064	C	C	.	.			trans	149.8	-4.7	-179.8	0	0	0	0	0	118.3	T384 S435 H437 E464 R465	T384-G461 PolarHBondContact OG1-O 2.71Å; S435-G461 VanDerWaalsContact CB-C 3.45Å; S435-G461 WeakPolarHBondContact CB-O 3.45Å; H437-G461 PolarHBondContact ND1-N 3.17Å; G461-E464 WeakPolarHBondContact CA-OE2 3.26Å; G461-E464 PolarHBondContact N-OE2 2.95Å; G461-R465 WeakPolarHBondContact O-CB 3.36Å; G461-R465 PolarHBondContact O-N 3.05Å; G461-R465 VanDerWaalsContact O-N 3.14Å
462	V	98.4	Very high	97.7	Very high	2 Å²	2	12.5 Å²	12.5	1%	0.012	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-32.4	-176.3	70.6	0	0	0	0	113	T178 A199 A200 H437	T178-V462 HydrophobicContact CG2-CG2 4.37Å; A199-V462 HydrophobicContact CB-CG1 3.59Å; A200-V462 HydrophobicContact CB-CG2 3.68Å; H437-V462 HydrophobicContact CB-CB 3.79Å; H437-V462 HydrophobicContact CB-CG1 4.32Å
463	E	97.9	Very high	97.6	Very high	15 Å²	15	12.5 Å²	12.5	7%	0.07	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-37.1	175.3	-175.1	178.6	138.3	0	0	110.7	A199 A202 G203 K522 Q529 Q530	A199-E463 HydrophobicContact CB-CB 4.25Å; A199-E463 WeakPolarHBondContact O-CA 3.25Å; A199-E463 WeakPolarHBondContact O-CB 3.34Å; A202-E463 HydrophobicContact CB-CG 4.26Å; G203-E463 WeakPolarHBondContact CA-O 3.45Å; E463-K522 IonicContact OE1-NZ 3.07Å; E463-K522 PolarHBondContact OE1-NZ 2.86Å; E463-Q529 WeakPolarHBondContact OE2-CA 3.44Å; E463-Q530 PolarHBondContact OE2-N 3.05Å
464	E	98	Very high	97.6	Very high	8 Å²	8	11.8 Å²	11.8	4%	0.037	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-15.2	-170.1	-51.8	87	161.9	0	0	113.5	T384 N460 G461 M466 G467 F468 I524 N536 F538	T384-E464 HydrophobicContact CG2-CB 4.22Å; N460-E464 PolarHBondContact ND2-OE1 3.04Å; G461-E464 WeakPolarHBondContact CA-OE2 3.26Å; G461-E464 PolarHBondContact N-OE2 2.95Å; E464-M466 PolarHBondContact O-N 3.4Å; E464-G467 PolarHBondContact O-N 2.71Å; E464-G467 VanDerWaalsContact O-N 3.1Å; E464-F468 HydrophobicContact CB-CD2 3.63Å; E464-F468 HydrophobicContact CB-CE2 3.63Å; E464-F468 HydrophobicContact CG-CE2 4.2Å; E464-F468 PolarHBondContact O-N 2.84Å; E464-I524 HydrophobicContact CG-CD1 4.33Å; E464-I524 HydrophobicContact CG-CG2 4.09Å; E464-N536 PolarHBondContact OE1-ND2 3.42Å; E464-F538 HydrophobicContact CB-CD2 4.2Å; E464-F538 HydrophobicContact CB-CE2 4.38Å; E464-F538 HydrophobicContact CG-CD2 3.96Å; E464-F538 HydrophobicContact CG-CE2 4.45Å
465	R	98.6	Very high	97.6	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-47.4	-55.4	-172.7	-169.8	-178.3	66.3	95	8.8	113.6	I174 D175 T205 T384 V433 G461 V469 T488	I174-R465 PolarHBondContact O-NH1 3.09Å; I174-R465 PolarHBondContact O-NH2 3.12Å; D175-R465 WeakPolarHBondContact OD2-CD 3.43Å; D175-R465 IonicContact OD2-NE 2.95Å; T205-R465 PolarHBondContact OG1-NH2 2.93Å; T384-R465 WeakPolarHBondContact OG1-CA 3.18Å; T384-R465 WeakPolarHBondContact OG1-CB 3.46Å; T384-R465 WeakPolarHBondContact OG1-CG 3.22Å; V433-R465 HydrophobicContact CG1-CG 3.91Å; V433-R465 WeakPolarHBondContact O-CD 3.41Å; V433-R465 PolarHBondContact O-NH1 3.19Å; G461-R465 WeakPolarHBondContact O-CB 3.36Å; G461-R465 PolarHBondContact O-N 3.05Å; G461-R465 VanDerWaalsContact O-N 3.14Å; R465-V469 WeakPolarHBondContact O-CG2 3.44Å; R465-V469 PolarHBondContact O-N 3.36Å; R465-T488 PolarHBondContact NH1-O 3.3Å; R465-T488 VanDerWaalsContact NH1-O 3.1Å; R465-T488 PolarHBondContact NH2-O 3.04Å
466	M	98.6	Very high	97.4	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-70.7	-37.8	-177.7	-66.7	-169.8	70.9	0	0	111.8	I170 G173 G204 E464 V469 W470 F484 T488 W516	I170-M466 HydrophobicContact CD1-CE 3.76Å; G173-M466 VanDerWaalsContact CA-SD 3.53Å; G204-M466 VanDerWaalsContact C-SD 3.53Å; G204-M466 VanDerWaalsContact O-SD 3.33Å; E464-M466 PolarHBondContact O-N 3.4Å; M466-V469 PolarHBondContact O-N 2.96Å; M466-W470 PolarHBondContact O-N 2.81Å; M466-F484 HydrophobicContact CB-CZ 4.29Å; M466-F484 HydrophobicContact CE-CE1 4.07Å; M466-F484 HydrophobicContact CE-CZ 3.81Å; M466-F484 WeakPolarHBondContact O-CE2 3.38Å; M466-T488 HydrophobicContact CG-CG2 4.46Å; M466-W516 HydrophobicContact CB-CH2 3.81Å; M466-W516 HydrophobicContact CB-CZ3 3.88Å; M466-W516 HydrophobicContact CE-CZ3 4.46Å
467	G	98	Very high	97.4	Very high	8 Å²	8	18.9 Å²	18.9	8%	0.082	12%	0.118	C	C	.	.	H	α-helix	trans	-58.7	-51	176.8	0	0	0	0	0	111.8	E464 V469 W470 D471 C543	E464-G467 PolarHBondContact O-N 2.71Å; E464-G467 VanDerWaalsContact O-N 3.1Å; G467-V469 PolarHBondContact O-N 2.96Å; G467-W470 WeakPolarHBondContact O-CB 3.43Å; G467-W470 PolarHBondContact O-N 2.64Å; G467-D471 WeakPolarHBondContact O-CB 3.38Å; G467-D471 PolarHBondContact O-N 2.73Å; G467-C543 VanDerWaalsContact CA-SG 3.5Å; G467-C543 PolarHBondContact O-SG 3.07Å; G467-C543 VanDerWaalsContact O-SG 3.41Å
468	F	98.3	Very high	97.4	Very high	1 Å²	1	20.8 Å²	20.8	0%	0.004	13%	0.126	C	C	.	.	H	α-helix	trans	-69.6	-32.9	-178.3	-77.2	-55.1	0	0	0	114.1	T384 A388 E464 W470 K472 I524 F538 L541 C543	T384-F468 HydrophobicContact CG2-CD2 3.94Å; A388-F468 HydrophobicContact CB-CB 3.99Å; A388-F468 HydrophobicContact CB-CD1 3.77Å; A388-F468 HydrophobicContact CB-CD2 3.56Å; A388-F468 HydrophobicContact CB-CE1 4.13Å; A388-F468 HydrophobicContact CB-CE2 3.92Å; A388-F468 HydrophobicContact CB-CG 3.48Å; A388-F468 VanDerWaalsContact CB-CG 3.48Å; A388-F468 HydrophobicContact CB-CZ 4.21Å; E464-F468 HydrophobicContact CB-CD2 3.63Å; E464-F468 HydrophobicContact CB-CE2 3.63Å; E464-F468 HydrophobicContact CG-CE2 4.2Å; E464-F468 PolarHBondContact O-N 2.84Å; F468-W470 VanDerWaalsContact C-N 3.33Å; F468-K472 HydrophobicContact CD1-CG 4.45Å; F468-K472 VanDerWaalsContact O-CB 3.28Å; F468-K472 WeakPolarHBondContact O-CB 3.39Å; F468-K472 VanDerWaalsContact O-CG 3.31Å; F468-K472 WeakPolarHBondContact O-CG 3.28Å; F468-K472 PolarHBondContact O-N 3.3Å; F468-I524 HydrophobicContact CE2-CG1 4.29Å; F468-I524 HydrophobicContact CZ-CG1 3.84Å; F468-F538 HydrophobicContact CD2-CD1 4.46Å; F468-F538 HydrophobicContact CD2-CG 4.39Å; F468-F538 HydrophobicContact CE2-CB 3.69Å; F468-F538 AromaticContact CE2-CD1 3.8Å; F468-F538 HydrophobicContact CE2-CD1 3.8Å; F468-F538 AromaticContact CE2-CD2 3.79Å; F468-F538 HydrophobicContact CE2-CD2 3.79Å; F468-F538 HydrophobicContact CE2-CE1 4.41Å; F468-F538 HydrophobicContact CE2-CE2 4.41Å; F468-F538 AromaticContact CE2-CG 3.45Å; F468-F538 HydrophobicContact CE2-CG 3.45Å; F468-F538 VanDerWaalsContact CE2-CG 3.45Å; F468-F538 HydrophobicContact CZ-CB 3.74Å; F468-F538 HydrophobicContact CZ-CD1 4.26Å; F468-F538 AromaticContact CZ-CG 3.98Å; F468-F538 HydrophobicContact CZ-CG 3.98Å; F468-L541 HydrophobicContact CE1-CB 4.23Å; F468-L541 HydrophobicContact CE1-CD1 4.2Å; F468-L541 HydrophobicContact CZ-CB 4.08Å; F468-L541 HydrophobicContact CZ-CD1 4.03Å; F468-C543 HydrophobicContact CE1-CB 4.25Å
469	V	98.4	Very high	97.5	Very high	1 Å²	1	21 Å²	21	1%	0.006	13%	0.126	C	C	.	.	H	α-helix	trans	-64.7	-40.9	171.8	-178.1	0	0	0	0	110.3	L387 V433 R465 M466 G467 A473 M479 F484 V487 T488	L387-V469 HydrophobicContact CD1-CG2 4.21Å; V433-V469 HydrophobicContact CB-CG2 4.15Å; V433-V469 HydrophobicContact CG1-CG2 3.87Å; V433-V469 HydrophobicContact CG2-CG2 3.9Å; R465-V469 WeakPolarHBondContact O-CG2 3.44Å; R465-V469 PolarHBondContact O-N 3.36Å; M466-V469 PolarHBondContact O-N 2.96Å; G467-V469 PolarHBondContact O-N 2.96Å; V469-A473 VanDerWaalsContact O-CB 3.24Å; V469-A473 WeakPolarHBondContact O-CB 3.31Å; V469-A473 PolarHBondContact O-N 3.41Å; V469-A473 VanDerWaalsContact O-N 3.11Å; V469-M479 HydrophobicContact CG1-SD 4.3Å; V469-F484 HydrophobicContact CB-CD2 4.27Å; V469-F484 HydrophobicContact CB-CE2 4.14Å; V469-F484 HydrophobicContact CG1-CD2 3.84Å; V469-F484 HydrophobicContact CG1-CE2 4.22Å; V469-V487 HydrophobicContact CG1-CG2 3.91Å; V469-T488 HydrophobicContact CB-CG2 4.18Å; V469-T488 HydrophobicContact CG1-CG2 4.08Å; V469-T488 HydrophobicContact CG2-CG2 4.36Å
470	W	98.6	Very high	97.6	Very high	14 Å²	14	24.4 Å²	24.4	5%	0.053	14%	0.144	C	C	.	.	I	π-helix	trans	-63.8	-56.1	174.5	-175	-88.2	0	0	0	112	M168 M466 G467 F468 K472 V474 A475 E481 F484 W516 P518 R544 G545	M168-W470 HydrophobicContact CE-CH2 3.82Å; M168-W470 HydrophobicContact CE-CZ3 3.63Å; M168-W470 HydrophobicContact SD-CH2 3.49Å; M168-W470 WeakPolarHBondContact SD-CH2 3.36Å; M168-W470 HydrophobicContact SD-CZ2 4.36Å; M168-W470 HydrophobicContact SD-CZ3 3.96Å; M466-W470 PolarHBondContact O-N 2.81Å; G467-W470 WeakPolarHBondContact O-CB 3.43Å; G467-W470 PolarHBondContact O-N 2.64Å; F468-W470 VanDerWaalsContact C-N 3.33Å; W470-K472 PolarHBondContact O-N 3.12Å; W470-V474 HydrophobicContact CD2-CB 3.96Å; W470-V474 HydrophobicContact CD2-CG1 4.18Å; W470-V474 HydrophobicContact CD2-CG2 4.3Å; W470-V474 HydrophobicContact CE3-CB 3.93Å; W470-V474 HydrophobicContact CE3-CG1 3.97Å; W470-V474 HydrophobicContact CE3-CG2 3.85Å; W470-V474 HydrophobicContact CG-CB 4.41Å; W470-V474 HydrophobicContact CH2-CB 4.47Å; W470-V474 HydrophobicContact CH2-CG1 3.65Å; W470-V474 HydrophobicContact CZ2-CG1 3.88Å; W470-V474 HydrophobicContact CZ3-CB 4.19Å; W470-V474 HydrophobicContact CZ3-CG1 3.71Å; W470-V474 HydrophobicContact CZ3-CG2 4.19Å; W470-V474 CarbonylContact O-C 3.31Å; W470-V474 WeakPolarHBondContact O-CA 3.5Å; W470-V474 WeakPolarHBondContact O-CB 3.41Å; W470-V474 PolarHBondContact O-N 3.24Å; W470-A475 PolarHBondContact O-N 3.02Å; W470-E481 HydrophobicContact CH2-CB 4.3Å; W470-E481 HydrophobicContact CZ3-CB 4.24Å; W470-F484 HydrophobicContact CB-CD2 4.44Å; W470-F484 HydrophobicContact CB-CE2 3.88Å; W470-F484 HydrophobicContact CB-CZ 4.23Å; W470-F484 AromaticContact CE3-CD1 3.73Å; W470-F484 HydrophobicContact CE3-CD1 3.73Å; W470-F484 HydrophobicContact CE3-CD2 4.09Å; W470-F484 AromaticContact CE3-CE1 3.79Å; W470-F484 HydrophobicContact CE3-CE1 3.79Å; W470-F484 HydrophobicContact CE3-CE2 4.16Å; W470-F484 AromaticContact CE3-CG 3.87Å; W470-F484 HydrophobicContact CE3-CG 3.87Å; W470-F484 HydrophobicContact CE3-CZ 4.01Å; W470-F484 AromaticContact CZ3-CD1 3.95Å; W470-F484 HydrophobicContact CZ3-CD1 3.95Å; W470-F484 HydrophobicContact CZ3-CE1 4.29Å; W470-F484 HydrophobicContact CZ3-CG 4.26Å; W470-W516 HydrophobicContact CB-CZ2 3.63Å; W470-W516 HydrophobicContact CD2-CZ2 4.28Å; W470-W516 AromaticContact CD2-NE1 3.3Å; W470-W516 VanDerWaalsContact CD2-NE1 3.3Å; W470-W516 AromaticContact CE2-NE1 3.64Å; W470-W516 AromaticContact CE3-NE1 3.54Å; W470-W516 AromaticContact CG-CZ2 3.83Å; W470-W516 HydrophobicContact CG-CZ2 3.83Å; W470-W516 AromaticContact CG-NE1 3.68Å; W470-P518 HydrophobicContact CH2-CB 4.19Å; W470-P518 HydrophobicContact CZ2-CB 3.37Å; W470-P518 PolarHBondContact NE1-O 3.01Å; W470-R544 VanDerWaalsContact CD1-O 3.3Å; W470-G545 VanDerWaalsContact CD1-CA 3.49Å
471	D	97.9	Very high	97.6	Very high	5 Å²	5	25.8 Å²	25.8	3%	0.027	15%	0.15	C	C	.	.	I	π-helix	trans	-59.1	-45.1	-175.3	178	59.4	0	0	0	112.8	G467 M476 R544	G467-D471 WeakPolarHBondContact O-CB 3.38Å; G467-D471 PolarHBondContact O-N 2.73Å; D471-M476 WeakPolarHBondContact O-CG 3.4Å; D471-R544 HydrophobicContact CB-CB 4.46Å; D471-R544 PolarHBondContact O-NH2 3.31Å; D471-R544 WeakPolarHBondContact OD1-CB 3.44Å; D471-R544 IonicContact OD1-CZ 3.53Å; D471-R544 VanDerWaalsContact OD1-CZ 3.28Å; D471-R544 PolarHBondContact OD1-N 2.89Å; D471-R544 IonicContact OD1-NE 3.6Å; D471-R544 PolarHBondContact OD1-NE 3.12Å; D471-R544 IonicContact OD1-NH2 2.74Å; D471-R544 PolarHBondContact OD1-NH2 3.26Å
472	K	96.8	Very high	97.7	Very high	58 Å²	58	27.2 Å²	27.2	25%	0.252	16%	0.158	S	C	.	.	I	π-helix	trans	-90.8	-25.8	-171.5	-54.9	-61.7	-177.8	-139.5	0	114	H422 F468 W470 M476	H422-K472 WeakPolarHBondContact CE1-CB 3.43Å; H422-K472 WeakPolarHBondContact NE2-CB 3.46Å; F468-K472 HydrophobicContact CD1-CG 4.45Å; F468-K472 VanDerWaalsContact O-CB 3.28Å; F468-K472 WeakPolarHBondContact O-CB 3.39Å; F468-K472 VanDerWaalsContact O-CG 3.31Å; F468-K472 WeakPolarHBondContact O-CG 3.28Å; F468-K472 PolarHBondContact O-N 3.3Å; W470-K472 PolarHBondContact O-N 3.12Å; K472-M476 WeakPolarHBondContact O-CB 3.31Å; K472-M476 WeakPolarHBondContact O-CG 3.35Å
473	A	97	Very high	97.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.173	C	C	.	.	I	π-helix	trans	-106.1	-48.8	179.2	0	0	0	0	0	112.9	H422 V469 G477 K478 M479	H422-A473 HydrophobicContact CB-CB 4.44Å; V469-A473 VanDerWaalsContact O-CB 3.24Å; V469-A473 WeakPolarHBondContact O-CB 3.31Å; V469-A473 PolarHBondContact O-N 3.41Å; V469-A473 VanDerWaalsContact O-N 3.11Å; A473-G477 PolarHBondContact O-N 2.76Å; A473-K478 WeakPolarHBondContact O-CA 3.27Å; A473-K478 WeakPolarHBondContact O-CB 3.12Å; A473-K478 PolarHBondContact O-N 3.4Å; A473-M479 HydrophobicContact CB-CB 3.74Å; A473-M479 HydrophobicContact CB-CE 4.22Å; A473-M479 HydrophobicContact CB-SD 4.13Å; A473-M479 PolarHBondContact O-N 3.03Å
474	V	98	Very high	97.8	Very high	22 Å²	22	29.7 Å²	29.7	13%	0.133	17%	0.17	C	C	.	.	I	π-helix	trans	-81.5	-54.1	-174.4	-171.1	0	0	0	0	111.9	W470 M476 G477 M479 F484	W470-V474 HydrophobicContact CD2-CB 3.96Å; W470-V474 HydrophobicContact CD2-CG1 4.18Å; W470-V474 HydrophobicContact CD2-CG2 4.3Å; W470-V474 HydrophobicContact CE3-CB 3.93Å; W470-V474 HydrophobicContact CE3-CG1 3.97Å; W470-V474 HydrophobicContact CE3-CG2 3.85Å; W470-V474 HydrophobicContact CG-CB 4.41Å; W470-V474 HydrophobicContact CH2-CB 4.47Å; W470-V474 HydrophobicContact CH2-CG1 3.65Å; W470-V474 HydrophobicContact CZ2-CG1 3.88Å; W470-V474 HydrophobicContact CZ3-CB 4.19Å; W470-V474 HydrophobicContact CZ3-CG1 3.71Å; W470-V474 HydrophobicContact CZ3-CG2 4.19Å; W470-V474 CarbonylContact O-C 3.31Å; W470-V474 WeakPolarHBondContact O-CA 3.5Å; W470-V474 WeakPolarHBondContact O-CB 3.41Å; W470-V474 PolarHBondContact O-N 3.24Å; V474-M476 PolarHBondContact O-N 2.86Å; V474-G477 PolarHBondContact O-N 2.8Å; V474-M479 WeakPolarHBondContact CA-O 3.24Å; V474-M479 HydrophobicContact CG2-CB 4.27Å; V474-M479 HydrophobicContact CG2-CG 4.34Å; V474-M479 HydrophobicContact CG2-SD 4.41Å; V474-F484 HydrophobicContact CG2-CB 3.71Å; V474-F484 HydrophobicContact CG2-CD2 4.1Å; V474-F484 HydrophobicContact CG2-CG 4.11Å
475	A	96.6	Very high	97.8	Very high	35 Å²	35	29.3 Å²	29.3	29%	0.289	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-2.9	179.5	0	0	0	0	0	113.7	W470 R544	W470-A475 PolarHBondContact O-N 3.02Å; A475-R544 PolarHBondContact O-NH1 2.74Å
476	M	94.9	Very high	97.8	Very high	119 Å²	119	30 Å²	30	59%	0.586	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.5	-0.8	168.9	-61.4	-55.6	-67.4	0	0	113.4	D471 K472 V474 K478 R544	D471-M476 WeakPolarHBondContact O-CG 3.4Å; K472-M476 WeakPolarHBondContact O-CB 3.31Å; K472-M476 WeakPolarHBondContact O-CG 3.35Å; V474-M476 PolarHBondContact O-N 2.86Å; M476-K478 VanDerWaalsContact C-N 3.34Å; M476-K478 PolarHBondContact O-N 2.88Å; M476-R544 PolarHBondContact SD-NH2 3.12Å
477	G	96.4	Very high	97.8	Very high	69 Å²	69	30.2 Å²	30.2	71%	0.711	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.2	18.2	177.3	0	0	0	0	0	115.4	A473 V474	A473-G477 PolarHBondContact O-N 2.76Å; V474-G477 PolarHBondContact O-N 2.8Å
478	K	96.8	Very high	97.9	Very high	67 Å²	67	29.9 Å²	29.9	29%	0.291	17%	0.171	S	C	.	.	S	Bend	trans	-82.6	-34.2	173.1	-67.9	-169.2	166.7	-161.7	0	112.5	D419 H422 T423 A426 A473 M476	D419-K478 PolarHBondContact O-NZ 3.37Å; D419-K478 WeakPolarHBondContact OD1-CE 3.41Å; D419-K478 IonicContact OD1-NZ 3.37Å; D419-K478 PolarHBondContact OD1-NZ 3.4Å; D419-K478 IonicContact OD2-NZ 3.64Å; D419-K478 PolarHBondContact OD2-NZ 2.73Å; H422-K478 HydrophobicContact CB-CD 4.22Å; T423-K478 PolarHBondContact OG1-NZ 3.44Å; A426-K478 VanDerWaalsContact CB-O 3.27Å; A426-K478 WeakPolarHBondContact CB-O 3.34Å; A473-K478 WeakPolarHBondContact O-CA 3.27Å; A473-K478 WeakPolarHBondContact O-CB 3.12Å; A473-K478 PolarHBondContact O-N 3.4Å; M476-K478 VanDerWaalsContact C-N 3.34Å; M476-K478 PolarHBondContact O-N 2.88Å
479	M	97.7	Very high	97.9	Very high	8 Å²	8	29.8 Å²	29.8	4%	0.039	17%	0.171	C	C	.	.	S	Bend	trans	-129	145.4	-172.2	-174.6	-179.3	-77.1	0	0	109.1	L425 A426 V469 A473 V474 Q483 F484 V487	L425-M479 HydrophobicContact CB-CE 3.78Å; A426-M479 HydrophobicContact CB-CB 4.17Å; A426-M479 HydrophobicContact CB-CE 4.23Å; V469-M479 HydrophobicContact CG1-SD 4.3Å; A473-M479 HydrophobicContact CB-CB 3.74Å; A473-M479 HydrophobicContact CB-CE 4.22Å; A473-M479 HydrophobicContact CB-SD 4.13Å; A473-M479 PolarHBondContact O-N 3.03Å; V474-M479 WeakPolarHBondContact CA-O 3.24Å; V474-M479 HydrophobicContact CG2-CB 4.27Å; V474-M479 HydrophobicContact CG2-CG 4.34Å; V474-M479 HydrophobicContact CG2-SD 4.41Å; M479-Q483 VanDerWaalsContact CA-OE1 3.31Å; M479-Q483 HydrophobicContact CG-CB 3.39Å; M479-Q483 HydrophobicContact CG-CG 4.45Å; M479-Q483 HydrophobicContact SD-CB 4.14Å; M479-F484 HydrophobicContact SD-CB 4.26Å; M479-V487 HydrophobicContact CE-CG1 4.2Å; M479-V487 HydrophobicContact CE-CG2 3.98Å; M479-V487 HydrophobicContact SD-CG2 4.01Å
480	D	98.1	Very high	97.9	Very high	74 Å²	74	29.8 Å²	29.8	40%	0.396	17%	0.17	S	C	.	.			trans	-89.2	171	170	68.5	47.2	0	0	0	112.7	N482 Q483 F484	D480-N482 VanDerWaalsContact C-N 3.25Å; D480-N482 PolarHBondContact O-N 3.28Å; D480-N482 WeakPolarHBondContact OD1-CA 3.39Å; D480-N482 WeakPolarHBondContact OD1-CB 3.33Å; D480-N482 PolarHBondContact OD1-N 3.4Å; D480-Q483 PolarHBondContact O-N 3.43Å; D480-Q483 WeakPolarHBondContact OD1-CG 3.37Å; D480-Q483 PolarHBondContact OD1-N 2.8Å; D480-F484 PolarHBondContact O-N 3.06Å
481	E	98.2	Very high	97.9	Very high	35 Å²	35	30.1 Å²	30.1	16%	0.164	17%	0.173	C	C	.	.	H	α-helix	trans	-64.2	-24.9	179.8	58.9	-170.7	-129.3	0	0	114.2	R127 V129 S134 M168 W470 V485	R127-E481 VanDerWaalsContact CZ-CD 3.45Å; R127-E481 IonicContact CZ-OE1 2.9Å; R127-E481 IonicContact CZ-OE2 3.21Å; R127-E481 IonicContact NE-OE1 3.66Å; R127-E481 IonicContact NH1-OE1 3.74Å; R127-E481 PolarHBondContact NH1-OE1 2.59Å; R127-E481 IonicContact NH1-OE2 2.91Å; R127-E481 PolarHBondContact NH1-OE2 2.88Å; R127-E481 VanDerWaalsContact NH2-CD 3.34Å; R127-E481 IonicContact NH2-OE1 2.72Å; R127-E481 PolarHBondContact NH2-OE1 3.1Å; R127-E481 IonicContact NH2-OE2 3.42Å; R127-E481 PolarHBondContact NH2-OE2 2.99Å; V129-E481 HydrophobicContact CG1-CB 4.01Å; V129-E481 HydrophobicContact CG1-CG 3.96Å; V129-E481 WeakPolarHBondContact CG1-O 3.19Å; S134-E481 WeakPolarHBondContact CB-OE1 3.36Å; S134-E481 PolarHBondContact OG-OE1 2.83Å; M168-E481 HydrophobicContact CE-CB 3.92Å; M168-E481 HydrophobicContact SD-CB 4.45Å; W470-E481 HydrophobicContact CH2-CB 4.3Å; W470-E481 HydrophobicContact CZ3-CB 4.24Å; E481-V485 PolarHBondContact O-N 2.61Å
482	N	98.8	Very high	98	Very high	30 Å²	30	29.9 Å²	29.9	16%	0.16	17%	0.172	C	C	.	.	H	α-helix	trans	-80.3	-43.4	178.8	-54.8	107	0	0	0	110.3	N130 Q133 S134 D480 F484 V485 A486	N130-N482 WeakPolarHBondContact O-CA 3.4Å; N130-N482 WeakPolarHBondContact O-CB 3.43Å; N130-N482 PolarHBondContact O-ND2 3.26Å; Q133-N482 PolarHBondContact O-ND2 3.48Å; S134-N482 PolarHBondContact N-ND2 2.82Å; S134-N482 PolarHBondContact OG-ND2 3.18Å; D480-N482 VanDerWaalsContact C-N 3.25Å; D480-N482 PolarHBondContact O-N 3.28Å; D480-N482 WeakPolarHBondContact OD1-CA 3.39Å; D480-N482 WeakPolarHBondContact OD1-CB 3.33Å; D480-N482 PolarHBondContact OD1-N 3.4Å; N482-F484 VanDerWaalsContact C-N 3.29Å; N482-F484 PolarHBondContact O-N 2.9Å; N482-V485 PolarHBondContact O-N 2.92Å; N482-A486 PolarHBondContact O-N 3.34Å
483	Q	98.6	Very high	98.1	Very high	69 Å²	69	27.1 Å²	27.1	32%	0.322	16%	0.16	S	C	.	.	H	α-helix	trans	-60.7	-36.9	170.9	-68.2	179.3	-32.1	0	0	112.1	A426 M479 D480 A486 V487	A426-Q483 PolarHBondContact O-NE2 2.92Å; M479-Q483 VanDerWaalsContact CA-OE1 3.31Å; M479-Q483 HydrophobicContact CG-CB 3.39Å; M479-Q483 HydrophobicContact CG-CG 4.45Å; M479-Q483 HydrophobicContact SD-CB 4.14Å; D480-Q483 PolarHBondContact O-N 3.43Å; D480-Q483 WeakPolarHBondContact OD1-CG 3.37Å; D480-Q483 PolarHBondContact OD1-N 2.8Å; Q483-A486 WeakPolarHBondContact O-CB 3.47Å; Q483-A486 PolarHBondContact O-N 2.58Å; Q483-A486 VanDerWaalsContact O-N 3.16Å; Q483-V487 PolarHBondContact O-N 3.41Å
484	F	98.8	Very high	98.1	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-57.8	-48.9	172.1	170.1	-106.7	0	0	0	112.2	I170 M466 V469 W470 V474 M479 D480 N482 A486 V487 T488 W516	I170-F484 HydrophobicContact CD1-CE1 3.79Å; M466-F484 HydrophobicContact CB-CZ 4.29Å; M466-F484 HydrophobicContact CE-CE1 4.07Å; M466-F484 HydrophobicContact CE-CZ 3.81Å; M466-F484 WeakPolarHBondContact O-CE2 3.38Å; V469-F484 HydrophobicContact CB-CD2 4.27Å; V469-F484 HydrophobicContact CB-CE2 4.14Å; V469-F484 HydrophobicContact CG1-CD2 3.84Å; V469-F484 HydrophobicContact CG1-CE2 4.22Å; W470-F484 HydrophobicContact CB-CD2 4.44Å; W470-F484 HydrophobicContact CB-CE2 3.88Å; W470-F484 HydrophobicContact CB-CZ 4.23Å; W470-F484 AromaticContact CE3-CD1 3.73Å; W470-F484 HydrophobicContact CE3-CD1 3.73Å; W470-F484 HydrophobicContact CE3-CD2 4.09Å; W470-F484 AromaticContact CE3-CE1 3.79Å; W470-F484 HydrophobicContact CE3-CE1 3.79Å; W470-F484 HydrophobicContact CE3-CE2 4.16Å; W470-F484 AromaticContact CE3-CG 3.87Å; W470-F484 HydrophobicContact CE3-CG 3.87Å; W470-F484 HydrophobicContact CE3-CZ 4.01Å; W470-F484 AromaticContact CZ3-CD1 3.95Å; W470-F484 HydrophobicContact CZ3-CD1 3.95Å; W470-F484 HydrophobicContact CZ3-CE1 4.29Å; W470-F484 HydrophobicContact CZ3-CG 4.26Å; V474-F484 HydrophobicContact CG2-CB 3.71Å; V474-F484 HydrophobicContact CG2-CD2 4.1Å; V474-F484 HydrophobicContact CG2-CG 4.11Å; M479-F484 HydrophobicContact SD-CB 4.26Å; D480-F484 PolarHBondContact O-N 3.06Å; N482-F484 VanDerWaalsContact C-N 3.29Å; N482-F484 PolarHBondContact O-N 2.9Å; F484-A486 VanDerWaalsContact C-N 3.28Å; F484-A486 PolarHBondContact O-N 3.24Å; F484-V487 PolarHBondContact O-N 2.64Å; F484-T488 HydrophobicContact CD2-CG2 3.92Å; F484-T488 HydrophobicContact CE2-CG2 3.73Å; F484-T488 HydrophobicContact CZ-CG2 4.33Å; F484-T488 WeakPolarHBondContact O-CB 3.35Å; F484-T488 WeakPolarHBondContact O-CG2 3.31Å; F484-T488 PolarHBondContact O-N 3.46Å; F484-T488 PolarHBondContact O-OG1 3.11Å; F484-W516 HydrophobicContact CZ-CH2 4.24Å; F484-W516 HydrophobicContact CZ-CZ2 4.08Å
485	V	98.9	Very high	98.2	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.5	-38.2	173.9	170.8	0	0	0	0	111.2	V129 I170 P171 E481 N482 S489 T490	V129-V485 HydrophobicContact CG1-CG2 3.96Å; I170-V485 HydrophobicContact CB-CG2 3.97Å; I170-V485 HydrophobicContact CG2-CG2 3.59Å; P171-V485 HydrophobicContact CG-CG1 3.78Å; E481-V485 PolarHBondContact O-N 2.61Å; N482-V485 PolarHBondContact O-N 2.92Å; V485-S489 PolarHBondContact O-N 3.23Å; V485-S489 VanDerWaalsContact O-N 3.09Å; V485-T490 WeakPolarHBondContact CG1-OG1 3.38Å; V485-T490 PolarHBondContact O-N 3.19Å; V485-T490 PolarHBondContact O-OG1 2.84Å
486	A	98.8	Very high	98.3	Very high	14 Å²	14	26.3 Å²	26.3	12%	0.116	15%	0.148	C	C	.	.	I	π-helix	trans	-60.2	-52.3	176.9	0	0	0	0	0	112.5	D131 N482 Q483 F484 T490 N491	D131-A486 HydrophobicContact CB-CB 3.99Å; N482-A486 PolarHBondContact O-N 3.34Å; Q483-A486 WeakPolarHBondContact O-CB 3.47Å; Q483-A486 PolarHBondContact O-N 2.58Å; Q483-A486 VanDerWaalsContact O-N 3.16Å; F484-A486 VanDerWaalsContact C-N 3.28Å; F484-A486 PolarHBondContact O-N 3.24Å; A486-T490 PolarHBondContact O-N 3.05Å; A486-N491 WeakPolarHBondContact O-CB 3.47Å; A486-N491 PolarHBondContact O-N 2.94Å; A486-N491 PolarHBondContact O-ND2 3.14Å
487	V	98.8	Very high	98.4	Very high	5 Å²	5	23.4 Å²	23.4	3%	0.03	14%	0.135	C	C	.	.	I	π-helix	trans	-78.9	-24.4	-175.1	-56.6	0	0	0	0	114.3	L425 V432 V433 V469 M479 Q483 F484	L425-V487 HydrophobicContact CD2-CB 4.33Å; L425-V487 HydrophobicContact CD2-CG1 4.18Å; V432-V487 WeakPolarHBondContact CA-O 3.33Å; V433-V487 HydrophobicContact CG2-CB 4.46Å; V433-V487 HydrophobicContact CG2-CG2 4.39Å; V433-V487 PolarHBondContact N-O 2.88Å; V469-V487 HydrophobicContact CG1-CG2 3.91Å; M479-V487 HydrophobicContact CE-CG1 4.2Å; M479-V487 HydrophobicContact CE-CG2 3.98Å; M479-V487 HydrophobicContact SD-CG2 4.01Å; Q483-V487 PolarHBondContact O-N 3.41Å; F484-V487 PolarHBondContact O-N 2.64Å
488	T	98.9	Very high	98.6	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.006	10%	0.104	C	C	.	.	I	π-helix	trans	-93.8	-16.5	-178.7	60.3	0	0	0	0	114.6	I174 R465 M466 V469 F484	I174-T488 PolarHBondContact N-O 3.24Å; R465-T488 PolarHBondContact NH1-O 3.3Å; R465-T488 VanDerWaalsContact NH1-O 3.1Å; R465-T488 PolarHBondContact NH2-O 3.04Å; M466-T488 HydrophobicContact CG-CG2 4.46Å; V469-T488 HydrophobicContact CB-CG2 4.18Å; V469-T488 HydrophobicContact CG1-CG2 4.08Å; V469-T488 HydrophobicContact CG2-CG2 4.36Å; F484-T488 HydrophobicContact CD2-CG2 3.92Å; F484-T488 HydrophobicContact CE2-CG2 3.73Å; F484-T488 HydrophobicContact CZ-CG2 4.33Å; F484-T488 WeakPolarHBondContact O-CB 3.35Å; F484-T488 WeakPolarHBondContact O-CG2 3.31Å; F484-T488 PolarHBondContact O-N 3.46Å; F484-T488 PolarHBondContact O-OG1 3.11Å
489	S	98.8	Very high	98.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.105	C	C	.	.	I	π-helix	trans	-148.3	-58.7	-175.9	-165.4	0	0	0	0	113.9	G172 I174 V485 N491 A492 A493 G503	G172-S489 WeakPolarHBondContact O-CB 3.06Å; G172-S489 PolarHBondContact O-OG 3Å; I174-S489 WeakPolarHBondContact CD1-O 3.31Å; V485-S489 PolarHBondContact O-N 3.23Å; V485-S489 VanDerWaalsContact O-N 3.09Å; S489-N491 PolarHBondContact O-N 3.25Å; S489-A492 WeakPolarHBondContact O-CB 3.15Å; S489-A492 PolarHBondContact O-N 3.36Å; S489-A493 PolarHBondContact O-N 3.36Å; S489-G503 VanDerWaalsContact OG-CA 3.25Å; S489-G503 WeakPolarHBondContact OG-CA 3.4Å
490	T	98.9	Very high	98.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.125	C	C	.	.	I	π-helix	trans	-68.7	-38.5	-165.8	-48.2	0	0	0	0	114.2	D131 V485 A486 A493 K494 Y499 G503	D131-T490 HydrophobicContact CB-CG2 4.03Å; V485-T490 WeakPolarHBondContact CG1-OG1 3.38Å; V485-T490 PolarHBondContact O-N 3.19Å; V485-T490 PolarHBondContact O-OG1 2.84Å; A486-T490 PolarHBondContact O-N 3.05Å; T490-A493 PolarHBondContact O-N 3.32Å; T490-K494 HydrophobicContact CG2-CD 4.1Å; T490-K494 VanDerWaalsContact CG2-CE 3.5Å; T490-K494 HydrophobicContact CG2-CG 4.47Å; T490-K494 WeakPolarHBondContact O-CG 3.1Å; T490-K494 PolarHBondContact O-N 3.32Å; T490-Y499 HydrophobicContact CG2-CD2 3.63Å; T490-Y499 HydrophobicContact CG2-CE2 3.44Å; T490-Y499 VanDerWaalsContact CG2-CE2 3.44Å; T490-G503 WeakPolarHBondContact CB-O 3.44Å; T490-G503 WeakPolarHBondContact CG2-O 3.31Å; T490-G503 PolarHBondContact OG1-O 3.28Å
491	N	98.8	Very high	98.7	Very high	21 Å²	21	25 Å²	25	11%	0.112	12%	0.122	C	C	.	.	H	α-helix	trans	-67.9	-37.8	178.3	-71	-22	0	0	0	111.4	Q431 V432 A486 S489 K494 I495	Q431-N491 VanDerWaalsContact O-CB 3.3Å; Q431-N491 WeakPolarHBondContact O-CB 3.35Å; Q431-N491 PolarHBondContact O-ND2 3.47Å; V432-N491 HydrophobicContact CG2-CB 3.8Å; A486-N491 WeakPolarHBondContact O-CB 3.47Å; A486-N491 PolarHBondContact O-N 2.94Å; A486-N491 PolarHBondContact O-ND2 3.14Å; S489-N491 PolarHBondContact O-N 3.25Å; N491-K494 PolarHBondContact O-N 2.91Å; N491-I495 WeakPolarHBondContact O-CB 3.43Å; N491-I495 VanDerWaalsContact O-CG1 3.24Å; N491-I495 WeakPolarHBondContact O-CG1 3.42Å; N491-I495 PolarHBondContact O-N 3.34Å
492	A	98.8	Very high	98.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-58.9	-48.6	171.5	0	0	0	0	0	111	I174 V176 V432 S489 K494 I495 F496	I174-A492 HydrophobicContact CB-CB 3.96Å; I174-A492 HydrophobicContact CD1-CB 4.4Å; I174-A492 HydrophobicContact CG2-CB 3.9Å; V176-A492 HydrophobicContact CG1-CB 3.38Å; V432-A492 HydrophobicContact CG1-CB 3.98Å; S489-A492 WeakPolarHBondContact O-CB 3.15Å; S489-A492 PolarHBondContact O-N 3.36Å; A492-K494 VanDerWaalsContact C-N 3.3Å; A492-K494 PolarHBondContact O-N 3.13Å; A492-I495 PolarHBondContact O-N 2.86Å; A492-F496 WeakPolarHBondContact O-CD2 3.24Å; A492-F496 PolarHBondContact O-N 3.27Å
493	A	98.8	Very high	98.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-60.1	-37.6	176.7	0	0	0	0	0	112.7	I174 S489 T490 N497 L498 Y499 K502	I174-A493 HydrophobicContact CD1-CB 3.79Å; S489-A493 PolarHBondContact O-N 3.36Å; T490-A493 PolarHBondContact O-N 3.32Å; A493-N497 PolarHBondContact O-N 2.65Å; A493-L498 HydrophobicContact CB-CB 4.38Å; A493-L498 PolarHBondContact O-N 3.43Å; A493-Y499 PolarHBondContact O-N 2.84Å; A493-K502 HydrophobicContact CB-CB 4.33Å; A493-K502 WeakPolarHBondContact CB-O 3.17Å
494	K	98.8	Very high	98.7	Very high	41 Å²	41	21.2 Å²	21.2	18%	0.178	10%	0.103	C	C	.	.	H	α-helix	trans	-72.6	-43.5	177.4	-72.8	169.9	-178.3	164.3	0	112.8	D131 T490 N491 A492 Y499 Y581	D131-K494 IonicContact OD2-NZ 3.28Å; D131-K494 PolarHBondContact OD2-NZ 3.26Å; T490-K494 HydrophobicContact CG2-CD 4.1Å; T490-K494 VanDerWaalsContact CG2-CE 3.5Å; T490-K494 HydrophobicContact CG2-CG 4.47Å; T490-K494 WeakPolarHBondContact O-CG 3.1Å; T490-K494 PolarHBondContact O-N 3.32Å; N491-K494 PolarHBondContact O-N 2.91Å; A492-K494 VanDerWaalsContact C-N 3.3Å; A492-K494 PolarHBondContact O-N 3.13Å; K494-Y499 HydrophobicContact CG-CD1 4.03Å; K494-Y499 HydrophobicContact CG-CD2 4.09Å; K494-Y499 HydrophobicContact CG-CG 3.7Å; K494-Y581 HydrophobicContact CB-CD1 4.01Å; K494-Y581 HydrophobicContact CB-CD2 4.12Å; K494-Y581 HydrophobicContact CB-CE1 4.49Å; K494-Y581 HydrophobicContact CB-CG 3.81Å; K494-Y581 HydrophobicContact CD-CD2 4.29Å; K494-Y581 HydrophobicContact CD-CE2 4.3Å; K494-Y581 WeakPolarHBondContact O-CB 3.48Å
495	I	98.7	Very high	98.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-66	-44	-180	-69.4	170.2	0	0	0	110.8	V298 Y355 F379 Q431 V432 N491 A492 P579 Y581	V298-I495 HydrophobicContact CG1-CG2 4.26Å; V298-I495 HydrophobicContact CG2-CG2 4.27Å; Y355-I495 HydrophobicContact CD2-CG2 4.06Å; Y355-I495 HydrophobicContact CE2-CD1 4.14Å; Y355-I495 HydrophobicContact CE2-CG2 4.16Å; F379-I495 HydrophobicContact CB-CD1 4.35Å; F379-I495 HydrophobicContact CD1-CD1 3.69Å; F379-I495 HydrophobicContact CD1-CG1 4.16Å; F379-I495 HydrophobicContact CE1-CD1 4.07Å; F379-I495 HydrophobicContact CE1-CG1 4.03Å; F379-I495 HydrophobicContact CG-CD1 3.97Å; F379-I495 HydrophobicContact CZ-CG1 4.23Å; Q431-I495 HydrophobicContact CB-CD1 4.5Å; V432-I495 HydrophobicContact CG2-CD1 3.61Å; N491-I495 WeakPolarHBondContact O-CB 3.43Å; N491-I495 VanDerWaalsContact O-CG1 3.24Å; N491-I495 WeakPolarHBondContact O-CG1 3.42Å; N491-I495 PolarHBondContact O-N 3.34Å; A492-I495 PolarHBondContact O-N 2.86Å; I495-P579 WeakPolarHBondContact O-CB 3.28Å; I495-P579 WeakPolarHBondContact O-CG 3.44Å; I495-Y581 HydrophobicContact CD1-CE1 4.29Å; I495-Y581 HydrophobicContact CG1-CD1 3.56Å; I495-Y581 HydrophobicContact CG1-CE1 3.63Å
496	F	98.7	Very high	98.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	13.9	-174.9	-61.4	-65.5	0	0	0	114.3	V176 M209 H242 N266 V298 L300 Y355 A492 R575	V176-F496 HydrophobicContact CB-CE2 3.99Å; V176-F496 HydrophobicContact CG1-CD2 3.97Å; V176-F496 HydrophobicContact CG1-CE2 3.67Å; M209-F496 HydrophobicContact CE-CB 3.87Å; M209-F496 HydrophobicContact CE-CD2 3.97Å; M209-F496 HydrophobicContact CE-CG 4.16Å; M209-F496 HydrophobicContact SD-CB 4.08Å; M209-F496 HydrophobicContact SD-CD2 3.94Å; M209-F496 HydrophobicContact SD-CG 3.96Å; H242-F496 AromaticContact CE1-CD1 3.83Å; H242-F496 AromaticContact CE1-CE1 3.5Å; H242-F496 VanDerWaalsContact CE1-CE1 3.5Å; H242-F496 WeakPolarHBondContact CE1-CE1 3.46Å; H242-F496 AromaticContact CE1-CZ 3.76Å; N266-F496 PolarHBondContact ND2-O 2.75Å; V298-F496 HydrophobicContact CB-CE1 4.31Å; V298-F496 HydrophobicContact CG1-CE1 4.23Å; L300-F496 HydrophobicContact CD1-CE1 4.17Å; Y355-F496 HydrophobicContact CD2-CZ 4.2Å; Y355-F496 HydrophobicContact CE2-CE2 4.1Å; Y355-F496 AromaticContact CE2-CZ 3.82Å; Y355-F496 HydrophobicContact CE2-CZ 3.82Å; A492-F496 WeakPolarHBondContact O-CD2 3.24Å; A492-F496 PolarHBondContact O-N 3.27Å; F496-R575 WeakPolarHBondContact O-CB 3.32Å; F496-R575 WeakPolarHBondContact O-CD 3.37Å
497	N	98.4	Very high	98.7	Very high	58 Å²	58	25.1 Å²	25.1	31%	0.31	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	43.1	171	-143.1	8.4	0	0	0	116.3	A493 K576 P577 P579	A493-N497 PolarHBondContact O-N 2.65Å; N497-K576 WeakPolarHBondContact CB-O 3.37Å; N497-K576 PolarHBondContact ND2-O 2.63Å; N497-P577 PolarHBondContact ND2-O 3.07Å; N497-P579 HydrophobicContact CB-CB 3.95Å
498	L	98.6	Very high	98.6	Very high	11 Å²	11	27.6 Å²	27.6	6%	0.058	16%	0.161	C	C	.	.			trans	-118.5	-4.8	176.4	-66.7	167.2	0	0	0	113.6	M207 M209 A493 R501 K502 L573 R575	M207-L498 HydrophobicContact CE-CD1 3.57Å; M207-L498 HydrophobicContact SD-CD1 3.74Å; M209-L498 HydrophobicContact CE-CD1 3.74Å; A493-L498 HydrophobicContact CB-CB 4.38Å; A493-L498 PolarHBondContact O-N 3.43Å; L498-R501 WeakPolarHBondContact O-CA 3.36Å; L498-R501 WeakPolarHBondContact O-CB 3.18Å; L498-R501 PolarHBondContact O-N 3.39Å; L498-K502 HydrophobicContact CB-CB 4.29Å; L498-K502 PolarHBondContact O-N 2.81Å; L498-L573 HydrophobicContact CD2-CB 4.16Å; L498-L573 HydrophobicContact CD2-CD1 4.47Å; L498-R575 HydrophobicContact CD1-CG 4.23Å; L498-R575 HydrophobicContact CD2-CG 4.13Å; L498-R575 HydrophobicContact CG-CG 4.17Å
499	Y	98.7	Very high	98.6	Very high	81 Å²	81	27.6 Å²	27.6	32%	0.318	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	140.5	178.1	-178.2	-95	0	0	0	111.9	T490 A493 K494 R504	T490-Y499 HydrophobicContact CG2-CD2 3.63Å; T490-Y499 HydrophobicContact CG2-CE2 3.44Å; T490-Y499 VanDerWaalsContact CG2-CE2 3.44Å; A493-Y499 PolarHBondContact O-N 2.84Å; K494-Y499 HydrophobicContact CG-CD1 4.03Å; K494-Y499 HydrophobicContact CG-CD2 4.09Å; K494-Y499 HydrophobicContact CG-CG 3.7Å; Y499-R504 HydrophobicContact CE2-CB 4.06Å; Y499-R504 WeakPolarHBondContact OH-CD 3.39Å; Y499-R504 PolarHBondContact OH-NH1 3.03Å
500	P	98.3	Very high	98.6	Very high	69 Å²	69	28 Å²	28	45%	0.448	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	cis	-92.1	10.1	-0.8	38	-36.6	0	0	0	114.2	K502 R504 S509	P500-K502 CarbonylContact C-O 3.49Å; P500-K502 PolarHBondContact O-N 3.36Å; P500-R504 HydrophobicContact CB-CB 4.41Å; P500-S509 WeakPolarHBondContact O-CB 3.32Å; P500-S509 PolarHBondContact O-OG 3.12Å
501	R	98.5	Very high	98.6	Very high	90 Å²	90	28 Å²	28	34%	0.34	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-40.1	178.6	178.9	-178.1	172.2	-158.3	-15.4	111.4	L498 D510 L573	L498-R501 WeakPolarHBondContact O-CA 3.36Å; L498-R501 WeakPolarHBondContact O-CB 3.18Å; L498-R501 PolarHBondContact O-N 3.39Å; R501-D510 VanDerWaalsContact CG-OD1 3.31Å; R501-D510 WeakPolarHBondContact CG-OD1 3.47Å; R501-D510 IonicContact CZ-OD1 3.72Å; R501-D510 IonicContact CZ-OD2 3.24Å; R501-D510 VanDerWaalsContact NE-CG 3.31Å; R501-D510 IonicContact NE-OD1 2.77Å; R501-D510 PolarHBondContact NE-OD1 3.47Å; R501-D510 IonicContact NE-OD2 2.72Å; R501-D510 PolarHBondContact NE-OD2 3.4Å; R501-D510 IonicContact NH2-OD1 2.74Å; R501-D510 IonicContact NH2-OD2 3.02Å; R501-D510 PolarHBondContact NH2-OD2 2.61Å; R501-D510 WeakPolarHBondContact O-CB 3.19Å; R501-D510 PolarHBondContact O-N 3.04Å; R501-L573 VanDerWaalsContact NH2-CD2 3.28Å
502	K	98.8	Very high	98.6	Very high	5 Å²	5	27.3 Å²	27.3	2%	0.022	16%	0.16	C	C	.	.	S	Bend	trans	-114.5	157.9	168.4	-68.8	-77	-163.6	-114.2	0	110.1	I174 M207 D238 A493 L498 P500 D510 D512 L573	I174-K502 HydrophobicContact CD1-CB 3.81Å; M207-K502 HydrophobicContact SD-CD 4.38Å; M207-K502 HydrophobicContact SD-CG 4.21Å; D238-K502 IonicContact OD2-NZ 2.73Å; D238-K502 PolarHBondContact OD2-NZ 3.34Å; A493-K502 HydrophobicContact CB-CB 4.33Å; A493-K502 WeakPolarHBondContact CB-O 3.17Å; L498-K502 HydrophobicContact CB-CB 4.29Å; L498-K502 PolarHBondContact O-N 2.81Å; P500-K502 CarbonylContact C-O 3.49Å; P500-K502 PolarHBondContact O-N 3.36Å; K502-D510 IonicContact NZ-OD2 2.64Å; K502-D510 PolarHBondContact NZ-OD2 3.41Å; K502-D512 WeakPolarHBondContact CD-OD2 3.37Å; K502-D512 WeakPolarHBondContact CE-OD2 3.48Å; K502-D512 IonicContact NZ-OD1 3.63Å; K502-D512 IonicContact NZ-OD2 2.75Å; K502-D512 PolarHBondContact NZ-OD2 3.44Å; K502-L573 VanDerWaalsContact CE-CD1 3.47Å; K502-L573 HydrophobicContact CG-CD1 4.27Å
503	G	98.4	Very high	98.6	Very high	5 Å²	5	27.3 Å²	27.3	5%	0.052	16%	0.16	C	C	.	.	S	Bend	trans	72.9	25.5	173.2	0	0	0	0	0	115.6	S489 T490	S489-G503 VanDerWaalsContact OG-CA 3.25Å; S489-G503 WeakPolarHBondContact OG-CA 3.4Å; T490-G503 WeakPolarHBondContact CB-O 3.44Å; T490-G503 WeakPolarHBondContact CG2-O 3.31Å; T490-G503 PolarHBondContact OG1-O 3.28Å
504	R	98.7	Very high	98.6	Very high	44 Å²	44	27.3 Å²	27.3	17%	0.166	16%	0.16	C	C	.	.			trans	-154	139.4	169.7	-161.7	172.4	-179	77	3.4	111.5	N130 D131 D132 Y499 P500 A506 S509	N130-R504 WeakPolarHBondContact OD1-CA 3.34Å; N130-R504 VanDerWaalsContact OD1-CG 3.3Å; N130-R504 WeakPolarHBondContact OD1-CG 3.4Å; D131-R504 IonicContact OD1-NH1 3.39Å; D131-R504 PolarHBondContact OD1-NH1 3.43Å; D132-R504 VanDerWaalsContact CG-NH1 3.33Å; D132-R504 VanDerWaalsContact CG-NH2 3.28Å; D132-R504 IonicContact OD1-CZ 3.68Å; D132-R504 IonicContact OD1-NH1 2.95Å; D132-R504 PolarHBondContact OD1-NH1 2.85Å; D132-R504 IonicContact OD1-NH2 3.73Å; D132-R504 PolarHBondContact OD1-NH2 2.7Å; D132-R504 IonicContact OD2-CZ 3.16Å; D132-R504 IonicContact OD2-NH1 3.06Å; D132-R504 IonicContact OD2-NH2 2.73Å; D132-R504 PolarHBondContact OD2-NH2 2.92Å; Y499-R504 HydrophobicContact CE2-CB 4.06Å; Y499-R504 WeakPolarHBondContact OH-CD 3.39Å; Y499-R504 PolarHBondContact OH-NH1 3.03Å; P500-R504 HydrophobicContact CB-CB 4.41Å; R504-A506 HydrophobicContact CG-CB 4.03Å; R504-A506 PolarHBondContact O-N 3.08Å; R504-S509 WeakPolarHBondContact O-CB 3.45Å; R504-S509 PolarHBondContact O-OG 3.01Å
505	I	98.8	Very high	98.6	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.015	15%	0.151	C	C	.	.			trans	-87.2	94.1	165	-57.1	-55.4	0	0	0	107.5	V128 N130 V139 I146 V149 I169 P171 I513	V128-I505 HydrophobicContact CG1-CB 3.74Å; V128-I505 HydrophobicContact CG1-CG1 4.42Å; V128-I505 HydrophobicContact CG1-CG2 3.62Å; V128-I505 HydrophobicContact CG2-CG2 4.12Å; N130-I505 PolarHBondContact ND2-O 3.24Å; N130-I505 PolarHBondContact OD1-N 3.07Å; V139-I505 HydrophobicContact CG1-CG2 4.41Å; V139-I505 HydrophobicContact CG2-CG2 3.93Å; I146-I505 HydrophobicContact CD1-CD1 4.02Å; I146-I505 HydrophobicContact CD1-CG2 4.27Å; V149-I505 HydrophobicContact CG2-CG2 4.14Å; I169-I505 HydrophobicContact CG2-CG1 4.47Å; P171-I505 HydrophobicContact CG-CD1 4.39Å; P171-I505 HydrophobicContact CG-CG1 4.08Å; I505-I513 HydrophobicContact CD1-CB 4.35Å; I505-I513 HydrophobicContact CD1-CD1 4.3Å; I505-I513 HydrophobicContact CD1-CG1 3.83Å; I505-I513 HydrophobicContact CD1-CG2 4.06Å
506	A	98.5	Very high	98.6	Very high	26 Å²	26	25.4 Å²	25.4	22%	0.215	15%	0.151	C	C	.	.	S	Bend	trans	-152.3	155.6	178.6	0	0	0	0	0	110.8	I146 R504 G508 S509	I146-A506 WeakPolarHBondContact CB-O 3.39Å; I146-A506 WeakPolarHBondContact CG2-O 3.49Å; R504-A506 HydrophobicContact CG-CB 4.03Å; R504-A506 PolarHBondContact O-N 3.08Å; A506-G508 PolarHBondContact O-N 2.82Å; A506-S509 VanDerWaalsContact O-CB 3.3Å; A506-S509 WeakPolarHBondContact O-CB 3.46Å; A506-S509 PolarHBondContact O-N 3.34Å; A506-S509 VanDerWaalsContact O-N 3.12Å; A506-S509 PolarHBondContact O-OG 2.93Å
507	A	98.4	Very high	98.5	Very high	68 Å²	68	26.7 Å²	26.7	56%	0.562	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	131.2	175.2	0	0	0	0	0	111.3	I146 K147	I146-A507 CarbonylContact O-C 3.52Å; I146-A507 WeakPolarHBondContact O-CA 3.29Å; K147-A507 WeakPolarHBondContact O-CB 3.32Å
508	G	98.2	Very high	98.4	Very high	56 Å²	56	25.5 Å²	25.5	58%	0.577	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	90	-7.6	-175.2	0	0	0	0	0	115.3	I146 A506	I146-G508 PolarHBondContact O-N 2.8Å; A506-G508 PolarHBondContact O-N 2.82Å
509	S	98.7	Very high	98.1	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.007	19%	0.186	C	C	.	.	S	Bend	trans	-77.5	154	171.5	-58.8	0	0	0	0	111.6	I146 P500 R504 A506	I146-S509 PolarHBondContact N-O 3.47Å; P500-S509 WeakPolarHBondContact O-CB 3.32Å; P500-S509 PolarHBondContact O-OG 3.12Å; R504-S509 WeakPolarHBondContact O-CB 3.45Å; R504-S509 PolarHBondContact O-OG 3.01Å; A506-S509 VanDerWaalsContact O-CB 3.3Å; A506-S509 WeakPolarHBondContact O-CB 3.46Å; A506-S509 PolarHBondContact O-N 3.34Å; A506-S509 VanDerWaalsContact O-N 3.12Å; A506-S509 PolarHBondContact O-OG 2.93Å
510	D	98.7	Very high	97.9	Very high	9 Å²	9	29.4 Å²	29.4	5%	0.048	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-60.4	139.8	171	-73.2	5.2	0	0	0	109.1	R501 K502 D512 R571	R501-D510 VanDerWaalsContact CG-OD1 3.31Å; R501-D510 WeakPolarHBondContact CG-OD1 3.47Å; R501-D510 IonicContact CZ-OD1 3.72Å; R501-D510 IonicContact CZ-OD2 3.24Å; R501-D510 VanDerWaalsContact NE-CG 3.31Å; R501-D510 IonicContact NE-OD1 2.77Å; R501-D510 PolarHBondContact NE-OD1 3.47Å; R501-D510 IonicContact NE-OD2 2.72Å; R501-D510 PolarHBondContact NE-OD2 3.4Å; R501-D510 IonicContact NH2-OD1 2.74Å; R501-D510 IonicContact NH2-OD2 3.02Å; R501-D510 PolarHBondContact NH2-OD2 2.61Å; R501-D510 WeakPolarHBondContact O-CB 3.19Å; R501-D510 PolarHBondContact O-N 3.04Å; K502-D510 IonicContact NZ-OD2 2.64Å; K502-D510 PolarHBondContact NZ-OD2 3.41Å; D510-D512 PolarHBondContact O-N 3.38Å; D510-R571 IonicContact OD2-NH2 2.73Å; D510-R571 PolarHBondContact OD2-NH2 2.83Å; D510-R571 VanDerWaalsContact OD2-NH2 3.15Å
511	A	98.4	Very high	97.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.182	C	C	.	.			trans	-79.4	62.3	179.6	0	0	0	0	0	112.1	V141 G144 I146 M551 Q553 G554	V141-A511 HydrophobicContact CB-CB 4.23Å; V141-A511 HydrophobicContact CG1-CB 3.39Å; V141-A511 HydrophobicContact CG2-CB 3.77Å; G144-A511 WeakPolarHBondContact O-CB 3.28Å; G144-A511 PolarHBondContact O-N 3.16Å; I146-A511 HydrophobicContact CG1-CB 4.2Å; A511-M551 HydrophobicContact CB-SD 4.39Å; A511-Q553 PolarHBondContact O-N 3.19Å; A511-G554 PolarHBondContact O-N 3.36Å
512	D	98.6	Very high	97.6	Very high	7 Å²	7	29 Å²	29	4%	0.037	18%	0.182	C	C	.	.			trans	-104.1	96.1	172.9	-78.3	10.6	0	0	0	108.1	G172 T206 K502 D510 M551 Q553	G172-D512 PolarHBondContact N-O 3.34Å; T206-D512 HydrophobicContact CG2-CB 4.31Å; T206-D512 WeakPolarHBondContact OG1-CB 3.34Å; T206-D512 PolarHBondContact OG1-OD2 3.48Å; K502-D512 WeakPolarHBondContact CD-OD2 3.37Å; K502-D512 WeakPolarHBondContact CE-OD2 3.48Å; K502-D512 IonicContact NZ-OD1 3.63Å; K502-D512 IonicContact NZ-OD2 2.75Å; K502-D512 PolarHBondContact NZ-OD2 3.44Å; D510-D512 PolarHBondContact O-N 3.38Å; D512-M551 WeakPolarHBondContact CA-O 3.4Å; D512-Q553 PolarHBondContact OD1-N 3.01Å
513	I	98.8	Very high	97.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	136.1	-163.2	-50.8	-177.4	0	0	0	109.4	I123 V139 V141 I146 I169 I505 M551	I123-I513 HydrophobicContact CD1-CB 4.48Å; I123-I513 HydrophobicContact CD1-CD1 3.98Å; I123-I513 HydrophobicContact CD1-CG2 3.86Å; V139-I513 HydrophobicContact CG1-CD1 4Å; V141-I513 HydrophobicContact CG2-CD1 3.9Å; I146-I513 HydrophobicContact CD1-CD1 3.94Å; I146-I513 HydrophobicContact CD1-CG1 4.31Å; I146-I513 HydrophobicContact CG1-CD1 4.08Å; I169-I513 HydrophobicContact CG2-CG2 3.44Å; I169-I513 VanDerWaalsContact CG2-CG2 3.44Å; I505-I513 HydrophobicContact CD1-CB 4.35Å; I505-I513 HydrophobicContact CD1-CD1 4.3Å; I505-I513 HydrophobicContact CD1-CG1 3.83Å; I505-I513 HydrophobicContact CD1-CG2 4.06Å; I513-M551 HydrophobicContact CB-CB 4.21Å; I513-M551 HydrophobicContact CD1-SD 4.28Å; I513-M551 PolarHBondContact N-O 3.45Å; I513-M551 WeakPolarHBondContact O-CB 3.32Å; I513-M551 PolarHBondContact O-N 3.06Å
514	V	98.8	Very high	97.4	Very high	0 Å²	0	32 Å²	32	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	130.2	169.3	178.8	0	0	0	0	108.9	I170 G204 W516 P547 L549 V550	I170-V514 HydrophobicContact CD1-CB 4.2Å; I170-V514 HydrophobicContact CD1-CG1 4.39Å; I170-V514 HydrophobicContact CG1-CB 3.77Å; I170-V514 HydrophobicContact CG1-CG1 4.35Å; I170-V514 PolarHBondContact N-O 2.78Å; I170-V514 PolarHBondContact O-N 3.44Å; G204-V514 VanDerWaalsContact O-CG2 3.25Å; G204-V514 WeakPolarHBondContact O-CG2 3.3Å; V514-W516 HydrophobicContact CG1-CB 4.37Å; V514-W516 HydrophobicContact CG1-CE3 4Å; V514-P547 HydrophobicContact CG1-CB 3.77Å; V514-L549 WeakPolarHBondContact CA-O 3.39Å; V514-V550 HydrophobicContact CG1-CG2 4.38Å; V514-V550 HydrophobicContact CG2-CB 4.5Å; V514-V550 HydrophobicContact CG2-CG1 4.04Å; V514-V550 HydrophobicContact CG2-CG2 4.16Å
515	I	98.6	Very high	97.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	106.8	161.5	-56	-179.1	0	0	0	106.1	I123 I162 A164 R167 M168 A548 L549	I123-I515 HydrophobicContact CG2-CD1 3.88Å; I123-I515 HydrophobicContact CG2-CG1 4.45Å; I162-I515 HydrophobicContact CG2-CD1 3.61Å; A164-I515 HydrophobicContact CB-CD1 4.37Å; A164-I515 HydrophobicContact CB-CG2 4.37Å; R167-I515 HydrophobicContact CB-CG2 3.73Å; R167-I515 HydrophobicContact CG-CG2 4.49Å; M168-I515 CarbonylContact O-C 3.5Å; M168-I515 VanDerWaalsContact O-CA 3.31Å; M168-I515 WeakPolarHBondContact O-CA 3.4Å; I515-A548 PolarHBondContact O-N 3.23Å; I515-L549 HydrophobicContact CB-CB 4.14Å; I515-L549 HydrophobicContact CD1-CB 4.27Å; I515-L549 HydrophobicContact CD1-CD1 4.42Å; I515-L549 HydrophobicContact CD1-CD2 4.21Å; I515-L549 HydrophobicContact CG1-CB 4.34Å; I515-L549 HydrophobicContact CG1-CD2 4.26Å; I515-L549 PolarHBondContact N-O 3.05Å; I515-L549 PolarHBondContact O-N 3.42Å
516	W	98.4	Very high	97.1	Very high	1 Å²	1	32.3 Å²	32.3	0%	0.004	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	127.7	-174.3	-172	-92.7	0	0	0	110.6	M168 I170 M466 W470 F484 V514 P518 G546	M168-W516 HydrophobicContact CB-CB 4.12Å; M168-W516 PolarHBondContact N-O 3.29Å; M168-W516 PolarHBondContact O-N 3.21Å; I170-W516 HydrophobicContact CD1-CB 3.86Å; I170-W516 HydrophobicContact CD1-CD2 4.16Å; I170-W516 HydrophobicContact CD1-CE3 4.01Å; I170-W516 HydrophobicContact CD1-CG 4.13Å; I170-W516 HydrophobicContact CG1-CB 4.25Å; M466-W516 HydrophobicContact CB-CH2 3.81Å; M466-W516 HydrophobicContact CB-CZ3 3.88Å; M466-W516 HydrophobicContact CE-CZ3 4.46Å; W470-W516 HydrophobicContact CB-CZ2 3.63Å; W470-W516 HydrophobicContact CD2-CZ2 4.28Å; W470-W516 AromaticContact CD2-NE1 3.3Å; W470-W516 VanDerWaalsContact CD2-NE1 3.3Å; W470-W516 AromaticContact CE2-NE1 3.64Å; W470-W516 AromaticContact CE3-NE1 3.54Å; W470-W516 AromaticContact CG-CZ2 3.83Å; W470-W516 HydrophobicContact CG-CZ2 3.83Å; W470-W516 AromaticContact CG-NE1 3.68Å; F484-W516 HydrophobicContact CZ-CH2 4.24Å; F484-W516 HydrophobicContact CZ-CZ2 4.08Å; V514-W516 HydrophobicContact CG1-CB 4.37Å; V514-W516 HydrophobicContact CG1-CE3 4Å; W516-P518 WeakPolarHBondContact O-CD 3.45Å; W516-G546 VanDerWaalsContact CZ2-N 3.29Å
517	D	96.9	Very high	96.9	Very high	27 Å²	27	40.2 Å²	40.2	14%	0.144	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	104.2	175.3	-168.5	-45	0	0	0	108.8	R167 D519 S520 G545 G546 A548	R167-D517 IonicContact CZ-OD2 3.51Å; R167-D517 VanDerWaalsContact CZ-OD2 3.22Å; R167-D517 IonicContact NE-OD2 2.72Å; R167-D517 PolarHBondContact NE-OD2 3.23Å; R167-D517 IonicContact NH2-OD2 3.45Å; R167-D517 PolarHBondContact NH2-OD2 3.04Å; D517-D519 VanDerWaalsContact C-N 3.26Å; D517-D519 PolarHBondContact O-N 2.91Å; D517-D519 PolarHBondContact OD1-N 2.92Å; D517-S520 PolarHBondContact O-OG 3.09Å; D517-S520 PolarHBondContact OD1-N 2.95Å; D517-G545 WeakPolarHBondContact O-CA 3.41Å; D517-G546 PolarHBondContact N-O 3.11Å; D517-G546 PolarHBondContact O-N 3.37Å; D517-G546 VanDerWaalsContact O-N 3.13Å; D517-A548 HydrophobicContact CB-CB 4.19Å
518	P	95.8	Very high	96.5	Very high	33 Å²	33	42.3 Å²	42.3	21%	0.214	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	-22.1	-172.4	31.1	-37	0	0	0	113.4	W470 W516	W470-P518 HydrophobicContact CH2-CB 4.19Å; W470-P518 HydrophobicContact CZ2-CB 3.37Å; W470-P518 PolarHBondContact NE1-O 3.01Å; W516-P518 WeakPolarHBondContact O-CD 3.45Å
519	D	93.7	Very high	96.3	Very high	137 Å²	137	40.4 Å²	40.4	73%	0.733	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-99.7	-7.7	-174.1	-60.6	-51.7	0	0	0	112.6	D517	D517-D519 VanDerWaalsContact C-N 3.26Å; D517-D519 PolarHBondContact O-N 2.91Å; D517-D519 PolarHBondContact OD1-N 2.92Å
520	S	94.5	Very high	96.1	Very high	36 Å²	36	43.7 Å²	43.7	25%	0.252	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	144.3	172.5	65.4	0	0	0	0	111.7	D517 R544 G545 G546	D517-S520 PolarHBondContact O-OG 3.09Å; D517-S520 PolarHBondContact OD1-N 2.95Å; S520-R544 CarbonylContact O-C 3.56Å; S520-R544 VanDerWaalsContact O-CA 3.32Å; S520-R544 WeakPolarHBondContact O-CA 3.3Å; S520-G545 PolarHBondContact O-N 2.69Å; S520-G546 PolarHBondContact OG-N 3.36Å
521	V	95.4	Very high	95.9	Very high	73 Å²	73	43.8 Å²	43.8	44%	0.442	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	126.9	179.2	-169	0	0	0	0	109.1	C543 R544	V521-C543 WeakPolarHBondContact CA-O 3.39Å; V521-R544 HydrophobicContact CG2-CG 4.15Å
522	K	94.5	Very high	95.7	Very high	78 Å²	78	46.5 Å²	46.5	34%	0.339	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	131.7	176.9	-179.8	-177.3	176.1	-173.1	0	109.1	E463 I524 C543	E463-K522 IonicContact OE1-NZ 3.07Å; E463-K522 PolarHBondContact OE1-NZ 2.86Å; K522-I524 HydrophobicContact CD-CD1 4.29Å; K522-I524 HydrophobicContact CG-CD1 4.42Å; K522-C543 PolarHBondContact N-O 2.59Å; K522-C543 PolarHBondContact O-N 2.82Å
523	T	96.7	Very high	95.4	Very high	62 Å²	62	46.5 Å²	46.5	38%	0.38	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	123.1	162.8	-44.7	0	0	0	0	108.5	T525	T523-T525 HydrophobicContact CG2-CG2 4.46Å; T523-T525 PolarHBondContact O-N 3.12Å
524	I	96.8	Very high	95.1	Very high	11 Å²	11	52.1 Å²	52.1	6%	0.056	28%	0.283	C	S	.	.			trans	-72.6	126.7	178.6	-54.1	-54.9	0	0	0	109.2	E464 F468 K522 N536 F538 G540 L541 C543	E464-I524 HydrophobicContact CG-CD1 4.33Å; E464-I524 HydrophobicContact CG-CG2 4.09Å; F468-I524 HydrophobicContact CE2-CG1 4.29Å; F468-I524 HydrophobicContact CZ-CG1 3.84Å; K522-I524 HydrophobicContact CD-CD1 4.29Å; K522-I524 HydrophobicContact CG-CD1 4.42Å; I524-N536 WeakPolarHBondContact CG2-ND2 3.04Å; I524-F538 HydrophobicContact CB-CB 4.38Å; I524-F538 HydrophobicContact CG2-CB 3.99Å; I524-G540 PolarHBondContact O-N 3.14Å; I524-L541 PolarHBondContact N-O 2.89Å; I524-C543 HydrophobicContact CD1-CB 4.04Å; I524-C543 HydrophobicContact CG1-CB 4.17Å
525	T	96.1	Very high	94.8	Very high	28 Å²	28	55.1 Å²	55.1	17%	0.172	29%	0.294	C	S	.	.			trans	-146.2	143.3	176.6	62.2	0	0	0	0	110.5	T523 K527 L528 Q529 E539	T523-T525 HydrophobicContact CG2-CG2 4.46Å; T523-T525 PolarHBondContact O-N 3.12Å; T525-K527 PolarHBondContact O-N 3.13Å; T525-L528 PolarHBondContact O-N 3.39Å; T525-Q529 PolarHBondContact O-N 3.23Å; T525-E539 WeakPolarHBondContact CA-OE2 3.29Å; T525-E539 WeakPolarHBondContact CB-OE1 3.43Å
526	A	94.6	Very high	94.8	Very high	26 Å²	26	55.1 Å²	55.1	22%	0.215	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-15.4	176.3	0	0	0	0	0	113.5	N536 E539	A526-N536 HydrophobicContact CB-CB 4.04Å; A526-E539 PolarHBondContact N-OE2 2.89Å
527	K	93.6	Very high	94.7	Very high	192 Å²	192	55.2 Å²	55.2	84%	0.835	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-21.3	175.8	-65	178.9	-178.6	173.7	0	114.2	T525	T525-K527 PolarHBondContact O-N 3.13Å
528	L	90.6	Very high	94.7	Very high	112 Å²	112	54 Å²	54	59%	0.586	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.3	-1.9	-172.4	-62.8	179.5	0	0	0	113.4	T525	T525-L528 PolarHBondContact O-N 3.39Å
529	Q	93.8	Very high	94.8	Very high	16 Å²	16	56.2 Å²	56.2	8%	0.075	30%	0.296	C	S	.	.	S	Bend	trans	-76.1	164.5	171.7	74.1	-171	16.8	0	0	111.1	E463 T525 S531 A533 N536	E463-Q529 WeakPolarHBondContact OE2-CA 3.44Å; T525-Q529 PolarHBondContact O-N 3.23Å; Q529-S531 WeakPolarHBondContact CG-O 3.35Å; Q529-S531 PolarHBondContact NE2-O 3.45Å; Q529-A533 PolarHBondContact NE2-O 3.47Å; Q529-N536 PolarHBondContact OE1-ND2 3.37Å
530	Q	95.5	Very high	94.9	Very high	69 Å²	69	52 Å²	52	32%	0.322	28%	0.284	S	S	.	.	S	Bend	trans	-86.4	-26.7	167.4	-58.7	-57.9	-74.6	0	0	112.7	Q195 A199 A202 E463 L563	Q195-Q530 PolarHBondContact NE2-O 2.84Å; A199-Q530 HydrophobicContact CB-CB 3.95Å; A202-Q530 HydrophobicContact CB-CG 3.63Å; E463-Q530 PolarHBondContact OE2-N 3.05Å; Q530-L563 HydrophobicContact CG-CD2 4.31Å
531	S	93.9	Very high	95	Very high	12 Å²	12	53 Å²	53	8%	0.084	29%	0.287	C	S	.	.	S	Bend	trans	-54.9	137	178.7	168.9	0	0	0	0	112.4	D191 Q529 A533	D191-S531 WeakPolarHBondContact OD1-CA 3.37Å; D191-S531 VanDerWaalsContact OD2-CB 3.24Å; D191-S531 WeakPolarHBondContact OD2-CB 3.32Å; D191-S531 PolarHBondContact OD2-OG 2.81Å; Q529-S531 WeakPolarHBondContact CG-O 3.35Å; Q529-S531 PolarHBondContact NE2-O 3.45Å; S531-A533 PolarHBondContact O-N 3.25Å; S531-A533 VanDerWaalsContact OG-CB 3.31Å; S531-A533 WeakPolarHBondContact OG-CB 3.3Å; S531-A533 PolarHBondContact OG-N 2.83Å
532	A	94.3	Very high	95.1	Very high	56 Å²	56	55.8 Å²	55.8	46%	0.463	30%	0.295	S	S	.	.			trans	-74.7	-0.3	174.9	0	0	0	0	0	113.5	V190 D191 Q195 E534	V190-A532 HydrophobicContact CB-CB 4.22Å; V190-A532 HydrophobicContact CG2-CB 4.23Å; D191-A532 WeakPolarHBondContact OD1-CB 3.18Å; D191-A532 PolarHBondContact OD1-N 3.02Å; Q195-A532 HydrophobicContact CG-CB 4.29Å; A532-E534 PolarHBondContact O-N 2.83Å
533	A	92.8	Very high	95.1	Very high	8 Å²	8	52.3 Å²	52.3	7%	0.066	28%	0.28	C	S	.	.			trans	-63.1	132.3	175.1	0	0	0	0	0	111.8	V190 A439 Q529 S531 Y535	V190-A533 HydrophobicContact CG2-CB 4.42Å; A439-A533 HydrophobicContact CB-CB 4.16Å; Q529-A533 PolarHBondContact NE2-O 3.47Å; S531-A533 PolarHBondContact O-N 3.25Å; S531-A533 VanDerWaalsContact OG-CB 3.31Å; S531-A533 WeakPolarHBondContact OG-CB 3.3Å; S531-A533 PolarHBondContact OG-N 2.83Å; A533-Y535 PolarHBondContact O-N 3.2Å
534	E	92.6	Very high	95.1	Very high	118 Å²	118	53.4 Å²	53.4	55%	0.551	28%	0.278	S	S	*	.	S	Bend	trans	-70.5	-21.8	176	-60	168	141.6	0	0	112.8	T442 A532	T442-E534 WeakPolarHBondContact CB-OE2 3.44Å; T442-E534 PolarHBondContact N-OE2 3.29Å; T442-E534 PolarHBondContact OG1-OE2 3.43Å; A532-E534 PolarHBondContact O-N 2.83Å
535	Y	93	Very high	95.1	Very high	62 Å²	62	53.2 Å²	53.2	24%	0.243	28%	0.278	C	S	.	.			trans	-126.6	133.1	-178	-161.4	-92.4	0	0	0	110.3	K401 A404 Y405 A533	K401-Y535 HydrophobicContact CB-CE2 4.42Å; K401-Y535 VanDerWaalsContact CD-OH 3.25Å; K401-Y535 WeakPolarHBondContact CD-OH 3.49Å; K401-Y535 VanDerWaalsContact CE-OH 3.26Å; K401-Y535 WeakPolarHBondContact CE-OH 3.32Å; K401-Y535 HydrophobicContact CG-CE1 4.37Å; K401-Y535 HydrophobicContact CG-CE2 4.47Å; K401-Y535 WeakPolarHBondContact CG-OH 3.41Å; A404-Y535 HydrophobicContact CB-CD1 3.35Å; A404-Y535 HydrophobicContact CB-CE1 4.02Å; A404-Y535 HydrophobicContact CB-CG 3.91Å; Y405-Y535 AromaticContact CE2-CE1 3.84Å; Y405-Y535 HydrophobicContact CE2-CE1 3.84Å; A533-Y535 PolarHBondContact O-N 3.2Å
536	N	96.6	Very high	95.1	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.276	C	S	.	.			trans	-105.4	124.6	171.6	-169.4	-44.3	0	0	0	108.7	N460 E464 I524 A526 Q529 F538 E539	N460-N536 PolarHBondContact ND2-ND2 2.87Å; N460-N536 PolarHBondContact ND2-OD1 3.06Å; N460-N536 WeakPolarHBondContact OD1-CA 3.39Å; E464-N536 PolarHBondContact OE1-ND2 3.42Å; I524-N536 WeakPolarHBondContact CG2-ND2 3.04Å; A526-N536 HydrophobicContact CB-CB 4.04Å; Q529-N536 PolarHBondContact OE1-ND2 3.37Å; N536-F538 PolarHBondContact O-N 2.99Å; N536-F538 WeakPolarHBondContact OD1-CA 3.34Å; N536-F538 WeakPolarHBondContact OD1-CB 3.37Å; N536-F538 VanDerWaalsContact OD1-CD2 3.23Å; N536-F538 WeakPolarHBondContact OD1-CD2 3.45Å; N536-F538 PolarHBondContact OD1-N 3.32Å; N536-E539 WeakPolarHBondContact O-CB 3.47Å; N536-E539 PolarHBondContact O-N 3.36Å; N536-E539 VanDerWaalsContact O-N 3.07Å
537	I	97.6	Very high	95.2	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.015	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-9	179.8	61.7	156.5	0	0	0	113.8	A385 T389 A404 Y405 T459 N460	A385-I537 HydrophobicContact CB-CD1 3.69Å; T389-I537 HydrophobicContact CG2-CD1 4.16Å; A404-I537 HydrophobicContact CB-CG2 4.4Å; A404-I537 WeakPolarHBondContact O-CG2 3.23Å; Y405-I537 HydrophobicContact CD1-CB 3.87Å; Y405-I537 HydrophobicContact CD1-CG2 3.95Å; Y405-I537 HydrophobicContact CD2-CG2 4.32Å; Y405-I537 HydrophobicContact CE1-CB 3.55Å; Y405-I537 HydrophobicContact CE1-CG2 4.03Å; Y405-I537 VanDerWaalsContact CE1-O 3.24Å; Y405-I537 WeakPolarHBondContact CE1-O 3.45Å; Y405-I537 HydrophobicContact CE2-CG2 4.38Å; Y405-I537 HydrophobicContact CG-CB 4.49Å; Y405-I537 HydrophobicContact CG-CG2 4.09Å; Y405-I537 PolarHBondContact OH-O 3.48Å; T459-I537 HydrophobicContact CG2-CD1 3.91Å; T459-I537 HydrophobicContact CG2-CG2 4.11Å; N460-I537 WeakPolarHBondContact OD1-CG1 3.49Å; N460-I537 PolarHBondContact OD1-N 2.97Å
538	F	97.6	Very high	95.3	Very high	1 Å²	1	44.2 Å²	44.2	0%	0.004	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	14.4	177	-43.7	-62.9	0	0	0	113.1	T384 A388 T389 E464 F468 I524 N536 G540 L541	T384-F538 HydrophobicContact CG2-CE1 4.43Å; T384-F538 HydrophobicContact CG2-CE2 3.9Å; T384-F538 HydrophobicContact CG2-CZ 3.65Å; A388-F538 HydrophobicContact CB-CD1 3.72Å; A388-F538 HydrophobicContact CB-CE1 3.59Å; T389-F538 HydrophobicContact CG2-CD1 4.33Å; T389-F538 HydrophobicContact CG2-CE1 3.96Å; E464-F538 HydrophobicContact CB-CD2 4.2Å; E464-F538 HydrophobicContact CB-CE2 4.38Å; E464-F538 HydrophobicContact CG-CD2 3.96Å; E464-F538 HydrophobicContact CG-CE2 4.45Å; F468-F538 HydrophobicContact CD2-CD1 4.46Å; F468-F538 HydrophobicContact CD2-CG 4.39Å; F468-F538 HydrophobicContact CE2-CB 3.69Å; F468-F538 AromaticContact CE2-CD1 3.8Å; F468-F538 HydrophobicContact CE2-CD1 3.8Å; F468-F538 AromaticContact CE2-CD2 3.79Å; F468-F538 HydrophobicContact CE2-CD2 3.79Å; F468-F538 HydrophobicContact CE2-CE1 4.41Å; F468-F538 HydrophobicContact CE2-CE2 4.41Å; F468-F538 AromaticContact CE2-CG 3.45Å; F468-F538 HydrophobicContact CE2-CG 3.45Å; F468-F538 VanDerWaalsContact CE2-CG 3.45Å; F468-F538 HydrophobicContact CZ-CB 3.74Å; F468-F538 HydrophobicContact CZ-CD1 4.26Å; F468-F538 AromaticContact CZ-CG 3.98Å; F468-F538 HydrophobicContact CZ-CG 3.98Å; I524-F538 HydrophobicContact CB-CB 4.38Å; I524-F538 HydrophobicContact CG2-CB 3.99Å; N536-F538 PolarHBondContact O-N 2.99Å; N536-F538 WeakPolarHBondContact OD1-CA 3.34Å; N536-F538 WeakPolarHBondContact OD1-CB 3.37Å; N536-F538 VanDerWaalsContact OD1-CD2 3.23Å; N536-F538 WeakPolarHBondContact OD1-CD2 3.45Å; N536-F538 PolarHBondContact OD1-N 3.32Å; F538-G540 PolarHBondContact O-N 3.14Å; F538-L541 HydrophobicContact CB-CD1 4.05Å; F538-L541 HydrophobicContact CD1-CD1 4.32Å; F538-L541 WeakPolarHBondContact O-CB 3.49Å; F538-L541 WeakPolarHBondContact O-CG 3.41Å; F538-L541 PolarHBondContact O-N 3.43Å
539	E	96.8	Very high	95.7	Very high	81 Å²	81	38.9 Å²	38.9	38%	0.379	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	121.9	-177.5	-173.3	69.8	-151.7	0	0	112.8	T525 A526 N536 L541	T525-E539 WeakPolarHBondContact CA-OE2 3.29Å; T525-E539 WeakPolarHBondContact CB-OE1 3.43Å; A526-E539 PolarHBondContact N-OE2 2.89Å; N536-E539 WeakPolarHBondContact O-CB 3.47Å; N536-E539 PolarHBondContact O-N 3.36Å; N536-E539 VanDerWaalsContact O-N 3.07Å; E539-L541 VanDerWaalsContact C-N 3.33Å
540	G	96.4	Very high	95.9	Very high	47 Å²	47	38.1 Å²	38.1	49%	0.485	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	-3.5	178.8	0	0	0	0	0	115.1	I524 F538	I524-G540 PolarHBondContact O-N 3.14Å; F538-G540 PolarHBondContact O-N 3.14Å
541	L	96.8	Very high	96	Very high	58 Å²	58	34.8 Å²	34.8	30%	0.304	19%	0.194	S	C	.	.			trans	-72.1	135.2	173.7	-62.1	-174.9	0	0	0	110.7	F468 I524 F538 E539	F468-L541 HydrophobicContact CE1-CB 4.23Å; F468-L541 HydrophobicContact CE1-CD1 4.2Å; F468-L541 HydrophobicContact CZ-CB 4.08Å; F468-L541 HydrophobicContact CZ-CD1 4.03Å; I524-L541 PolarHBondContact N-O 2.89Å; F538-L541 HydrophobicContact CB-CD1 4.05Å; F538-L541 HydrophobicContact CD1-CD1 4.32Å; F538-L541 WeakPolarHBondContact O-CB 3.49Å; F538-L541 WeakPolarHBondContact O-CG 3.41Å; F538-L541 PolarHBondContact O-N 3.43Å; E539-L541 VanDerWaalsContact C-N 3.33Å
542	E	96.4	Very high	96.2	Very high	131 Å²	131	34.4 Å²	34.4	61%	0.612	19%	0.192	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	138.1	167.2	-63.2	-170.8	129.1	0	0	110.2
543	C	95.7	Very high	96.3	Very high	6 Å²	6	33 Å²	33	4%	0.041	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	121.1	178.5	-171.9	0	0	0	0	108.8	G467 F468 V521 K522 I524	G467-C543 VanDerWaalsContact CA-SG 3.5Å; G467-C543 PolarHBondContact O-SG 3.07Å; G467-C543 VanDerWaalsContact O-SG 3.41Å; F468-C543 HydrophobicContact CE1-CB 4.25Å; V521-C543 WeakPolarHBondContact CA-O 3.39Å; K522-C543 PolarHBondContact N-O 2.59Å; K522-C543 PolarHBondContact O-N 2.82Å; I524-C543 HydrophobicContact CD1-CB 4.04Å; I524-C543 HydrophobicContact CG1-CB 4.17Å
544	R	95.9	Very high	96.5	Very high	85 Å²	85	32.7 Å²	32.7	32%	0.321	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	149.1	170.5	-66	168.9	-68.9	159.7	7.1	110.4	W470 D471 A475 M476 S520 V521	W470-R544 VanDerWaalsContact CD1-O 3.3Å; D471-R544 HydrophobicContact CB-CB 4.46Å; D471-R544 PolarHBondContact O-NH2 3.31Å; D471-R544 WeakPolarHBondContact OD1-CB 3.44Å; D471-R544 IonicContact OD1-CZ 3.53Å; D471-R544 VanDerWaalsContact OD1-CZ 3.28Å; D471-R544 PolarHBondContact OD1-N 2.89Å; D471-R544 IonicContact OD1-NE 3.6Å; D471-R544 PolarHBondContact OD1-NE 3.12Å; D471-R544 IonicContact OD1-NH2 2.74Å; D471-R544 PolarHBondContact OD1-NH2 3.26Å; A475-R544 PolarHBondContact O-NH1 2.74Å; M476-R544 PolarHBondContact SD-NH2 3.12Å; S520-R544 CarbonylContact O-C 3.56Å; S520-R544 VanDerWaalsContact O-CA 3.32Å; S520-R544 WeakPolarHBondContact O-CA 3.3Å; V521-R544 HydrophobicContact CG2-CG 4.15Å
545	G	95.9	Very high	96.7	Very high	7 Å²	7	32.7 Å²	32.7	7%	0.072	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	77.4	140.7	-176.1	0	0	0	0	0	113.1	W470 D517 S520	W470-G545 VanDerWaalsContact CD1-CA 3.49Å; D517-G545 WeakPolarHBondContact O-CA 3.41Å; S520-G545 PolarHBondContact O-N 2.69Å
546	G	96.3	Very high	96.8	Very high	11 Å²	11	30.7 Å²	30.7	11%	0.113	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.2	167.3	179.2	0	0	0	0	0	113.7	W516 D517 S520 A548	W516-G546 VanDerWaalsContact CZ2-N 3.29Å; D517-G546 PolarHBondContact N-O 3.11Å; D517-G546 PolarHBondContact O-N 3.37Å; D517-G546 VanDerWaalsContact O-N 3.13Å; S520-G546 PolarHBondContact OG-N 3.36Å; G546-A548 PolarHBondContact O-N 2.98Å
547	P	97.4	Very high	96.9	Very high	24 Å²	24	31.2 Å²	31.2	16%	0.156	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	123	174.3	29	-32.9	0	0	0	110.7	A202 V514 V550 Y558	A202-P547 VanDerWaalsContact O-CG 3.29Å; A202-P547 WeakPolarHBondContact O-CG 3.32Å; V514-P547 HydrophobicContact CG1-CB 3.77Å; P547-V550 HydrophobicContact CB-CG2 3.51Å; P547-V550 HydrophobicContact CG-CG2 4.28Å; P547-Y558 HydrophobicContact CB-CE1 4.48Å; P547-Y558 HydrophobicContact CG-CE1 4.25Å; P547-Y558 WeakPolarHBondContact O-CE1 3.45Å
548	A	96.5	Very high	96.9	Very high	21 Å²	21	32.8 Å²	32.8	17%	0.174	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	-35.9	164	0	0	0	0	0	111.2	V103 I515 D517 G546	V103-A548 HydrophobicContact CG2-CB 4.29Å; I515-A548 PolarHBondContact O-N 3.23Å; D517-A548 HydrophobicContact CB-CB 4.19Å; G546-A548 PolarHBondContact O-N 2.98Å
549	L	97.8	Very high	96.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	139.7	177	179.4	152.8	0	0	0	109.8	I162 V514 I515 M551 I556 Y558 E559	I162-L549 HydrophobicContact CD1-CD1 4.33Å; I162-L549 HydrophobicContact CG2-CD1 3.9Å; V514-L549 WeakPolarHBondContact CA-O 3.39Å; I515-L549 HydrophobicContact CB-CB 4.14Å; I515-L549 HydrophobicContact CD1-CB 4.27Å; I515-L549 HydrophobicContact CD1-CD1 4.42Å; I515-L549 HydrophobicContact CD1-CD2 4.21Å; I515-L549 HydrophobicContact CG1-CB 4.34Å; I515-L549 HydrophobicContact CG1-CD2 4.26Å; I515-L549 PolarHBondContact N-O 3.05Å; I515-L549 PolarHBondContact O-N 3.42Å; L549-M551 HydrophobicContact CD2-CB 4.39Å; L549-I556 HydrophobicContact CD1-CD1 4.14Å; L549-I556 HydrophobicContact CD1-CG1 4.38Å; L549-I556 HydrophobicContact CD1-CG2 4.02Å; L549-I556 HydrophobicContact CD2-CG2 4.46Å; L549-I556 HydrophobicContact CG-CG2 4Å; L549-Y558 CarbonylContact C-O 3.19Å; L549-Y558 VanDerWaalsContact CA-O 3.29Å; L549-Y558 WeakPolarHBondContact CA-O 3.42Å; L549-E559 HydrophobicContact CD1-CG 4.44Å; L549-E559 WeakPolarHBondContact CD1-OE1 3.31Å
550	V	98.6	Very high	96.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	131	172.8	-172.8	0	0	0	0	109.9	L201 T206 V514 P547 V557 Y558	L201-V550 HydrophobicContact CD2-CG1 4.23Å; L201-V550 WeakPolarHBondContact O-CG2 3.24Å; T206-V550 HydrophobicContact CG2-CG1 3.7Å; V514-V550 HydrophobicContact CG1-CG2 4.38Å; V514-V550 HydrophobicContact CG2-CB 4.5Å; V514-V550 HydrophobicContact CG2-CG1 4.04Å; V514-V550 HydrophobicContact CG2-CG2 4.16Å; P547-V550 HydrophobicContact CB-CG2 3.51Å; P547-V550 HydrophobicContact CG-CG2 4.28Å; V550-V557 HydrophobicContact CB-CG2 4.37Å; V550-V557 HydrophobicContact CG1-CG2 4.21Å; V550-V557 WeakPolarHBondContact O-CG2 3.45Å; V550-V557 PolarHBondContact O-N 3.02Å; V550-Y558 HydrophobicContact CG2-CD1 4.15Å; V550-Y558 HydrophobicContact CG2-CG 4.37Å; V550-Y558 PolarHBondContact N-O 2.88Å; V550-Y558 PolarHBondContact O-N 3.2Å
551	M	97.9	Very high	95.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	131.1	176.5	-170.1	-178.7	-60.5	0	0	109	L121 I123 V141 I162 T206 A511 D512 I513 L549 R555	L121-M551 HydrophobicContact CB-CE 4.42Å; L121-M551 HydrophobicContact CD1-CE 3.39Å; L121-M551 HydrophobicContact CD1-SD 3.86Å; I123-M551 HydrophobicContact CD1-CE 3.98Å; I123-M551 HydrophobicContact CG1-CE 4.33Å; V141-M551 HydrophobicContact CG1-SD 4.33Å; V141-M551 HydrophobicContact CG2-SD 4.24Å; I162-M551 HydrophobicContact CD1-CE 3.89Å; T206-M551 WeakPolarHBondContact CG2-O 3.5Å; A511-M551 HydrophobicContact CB-SD 4.39Å; D512-M551 WeakPolarHBondContact CA-O 3.4Å; I513-M551 HydrophobicContact CB-CB 4.21Å; I513-M551 HydrophobicContact CD1-SD 4.28Å; I513-M551 PolarHBondContact N-O 3.45Å; I513-M551 WeakPolarHBondContact O-CB 3.32Å; I513-M551 PolarHBondContact O-N 3.06Å; L549-M551 HydrophobicContact CD2-CB 4.39Å; M551-R555 CarbonylContact C-O 3.47Å; M551-R555 VanDerWaalsContact CA-O 3.23Å; M551-R555 WeakPolarHBondContact CA-O 3.26Å; M551-R555 WeakPolarHBondContact CG-O 3.31Å
552	S	97.9	Very high	95.4	Very high	4 Å²	4	39 Å²	39	3%	0.028	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	126.3	176.4	176.5	0	0	0	0	108.1	G554 R555	S552-G554 PolarHBondContact O-N 3.28Å; S552-R555 PolarHBondContact N-O 3.29Å; S552-R555 PolarHBondContact O-N 3.14Å
553	Q	96.7	Very high	95.3	Very high	25 Å²	25	34.6 Å²	34.6	12%	0.117	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	36.2	-175.6	-50.1	172.9	20.5	0	0	113.3	G144 D238 A511 D512 R555 T569	G144-Q553 WeakPolarHBondContact CA-O 3.35Å; D238-Q553 PolarHBondContact OD1-NE2 3.48Å; A511-Q553 PolarHBondContact O-N 3.19Å; D512-Q553 PolarHBondContact OD1-N 3.01Å; Q553-R555 VanDerWaalsContact C-N 3.3Å; Q553-R555 PolarHBondContact O-N 3.23Å; Q553-T569 PolarHBondContact NE2-O 2.89Å; Q553-T569 PolarHBondContact OE1-O 3.01Å
554	G	96.1	Very high	95.2	Very high	2 Å²	2	40.3 Å²	40.3	2%	0.021	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	11.9	-178.8	0	0	0	0	0	115.9	L121 A511 S552	L121-G554 WeakPolarHBondContact CD1-O 3.18Å; A511-G554 PolarHBondContact O-N 3.36Å; S552-G554 PolarHBondContact O-N 3.28Å
555	R	96.1	Very high	95	Very high	119 Å²	119	37 Å²	37	45%	0.449	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	138.7	174.3	-60.5	176.6	-175.7	162.2	1.7	110	M551 S552 Q553 V557	M551-R555 CarbonylContact C-O 3.47Å; M551-R555 VanDerWaalsContact CA-O 3.23Å; M551-R555 WeakPolarHBondContact CA-O 3.26Å; M551-R555 WeakPolarHBondContact CG-O 3.31Å; S552-R555 PolarHBondContact N-O 3.29Å; S552-R555 PolarHBondContact O-N 3.14Å; Q553-R555 VanDerWaalsContact C-N 3.3Å; Q553-R555 PolarHBondContact O-N 3.23Å; R555-V557 PolarHBondContact O-N 2.85Å
556	I	96.6	Very high	94.9	Very high	19 Å²	19	43 Å²	43	10%	0.097	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	116.2	173.5	-55.3	173.5	0	0	0	108.5	L121 K160 I162 L549 E559	L121-I556 HydrophobicContact CD1-CG1 4.22Å; K160-I556 VanDerWaalsContact NZ-CD1 3.35Å; I162-I556 HydrophobicContact CD1-CD1 3.72Å; I162-I556 HydrophobicContact CD1-CG1 4.16Å; I162-I556 HydrophobicContact CG1-CD1 4.35Å; L549-I556 HydrophobicContact CD1-CD1 4.14Å; L549-I556 HydrophobicContact CD1-CG1 4.38Å; L549-I556 HydrophobicContact CD1-CG2 4.02Å; L549-I556 HydrophobicContact CD2-CG2 4.46Å; L549-I556 HydrophobicContact CG-CG2 4Å; I556-E559 HydrophobicContact CG2-CB 4.06Å
557	V	97.3	Very high	94.9	Very high	11 Å²	11	47.5 Å²	47.5	7%	0.067	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	-14.6	-177.3	-67.5	0	0	0	0	113.3	L201 V550 R555 L563 Q564	L201-V557 HydrophobicContact CD1-CB 4.28Å; L201-V557 HydrophobicContact CD1-CG2 4.03Å; L201-V557 HydrophobicContact CD2-CG2 3.76Å; L201-V557 HydrophobicContact CG-CG2 4.34Å; V550-V557 HydrophobicContact CB-CG2 4.37Å; V550-V557 HydrophobicContact CG1-CG2 4.21Å; V550-V557 WeakPolarHBondContact O-CG2 3.45Å; V550-V557 PolarHBondContact O-N 3.02Å; R555-V557 PolarHBondContact O-N 2.85Å; V557-L563 WeakPolarHBondContact O-CD1 3.17Å; V557-Q564 PolarHBondContact O-N 2.81Å
558	Y	97.4	Very high	94.8	Very high	37 Å²	37	48 Å²	48	15%	0.145	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	132.1	170.8	-179.5	-90.7	0	0	0	109.7	A202 P547 L549 V550 K562 L563	A202-Y558 HydrophobicContact CB-CD2 4.25Å; A202-Y558 HydrophobicContact CB-CE2 4.13Å; P547-Y558 HydrophobicContact CB-CE1 4.48Å; P547-Y558 HydrophobicContact CG-CE1 4.25Å; P547-Y558 WeakPolarHBondContact O-CE1 3.45Å; L549-Y558 CarbonylContact C-O 3.19Å; L549-Y558 VanDerWaalsContact CA-O 3.29Å; L549-Y558 WeakPolarHBondContact CA-O 3.42Å; V550-Y558 HydrophobicContact CG2-CD1 4.15Å; V550-Y558 HydrophobicContact CG2-CG 4.37Å; V550-Y558 PolarHBondContact N-O 2.88Å; V550-Y558 PolarHBondContact O-N 3.2Å; Y558-K562 WeakPolarHBondContact CA-O 3.3Å; Y558-L563 HydrophobicContact CD2-CB 4.31Å; Y558-L563 HydrophobicContact CD2-CD1 4.01Å
559	E	94.1	Very high	94.8	Very high	44 Å²	44	48.3 Å²	48.3	21%	0.206	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	135.2	176.1	-177.8	174.1	-114.6	0	0	109.9	V105 L549 I556 G561 K562	V105-E559 WeakPolarHBondContact CG2-OE1 3.36Å; L549-E559 HydrophobicContact CD1-CG 4.44Å; L549-E559 WeakPolarHBondContact CD1-OE1 3.31Å; I556-E559 HydrophobicContact CG2-CB 4.06Å; E559-G561 VanDerWaalsContact C-N 3.29Å; E559-G561 PolarHBondContact O-N 2.87Å; E559-K562 PolarHBondContact N-O 2.82Å; E559-K562 PolarHBondContact O-N 3.23Å
560	G	83.6	Confident	94.7	Very high	66 Å²	66	48.6 Å²	48.6	68%	0.68	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	37.9	171.7	0	0	0	0	0	114.5	K562	G560-K562 VanDerWaalsContact C-N 3.27Å; G560-K562 PolarHBondContact O-N 3.05Å
561	G	86.6	Confident	94.7	Very high	54 Å²	54	52.8 Å²	52.8	56%	0.557	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	0.4	-177	0	0	0	0	0	115.2	E559	E559-G561 VanDerWaalsContact C-N 3.29Å; E559-G561 PolarHBondContact O-N 2.87Å
562	K	92.8	Very high	94.7	Very high	152 Å²	152	54.4 Å²	54.4	66%	0.661	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.9	123	-176.4	-63	177.3	-175.2	173	0	111.1	Y558 E559 G560	Y558-K562 WeakPolarHBondContact CA-O 3.3Å; E559-K562 PolarHBondContact N-O 2.82Å; E559-K562 PolarHBondContact O-N 3.23Å; G560-K562 VanDerWaalsContact C-N 3.27Å; G560-K562 PolarHBondContact O-N 3.05Å
563	L	94.6	Very high	94.8	Very high	40 Å²	40	54.3 Å²	54.3	21%	0.209	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	127	175	-168.5	74	0	0	0	110.5	K198 L201 A202 Q530 V557 Y558 A565	K198-L563 HydrophobicContact CB-CD2 3.51Å; K198-L563 HydrophobicContact CD-CD2 4.13Å; K198-L563 HydrophobicContact CG-CD2 3.62Å; K198-L563 WeakPolarHBondContact O-CD2 3.33Å; L201-L563 HydrophobicContact CB-CD1 3.86Å; A202-L563 HydrophobicContact CB-CD1 4.47Å; Q530-L563 HydrophobicContact CG-CD2 4.31Å; V557-L563 WeakPolarHBondContact O-CD1 3.17Å; Y558-L563 HydrophobicContact CD2-CB 4.31Å; Y558-L563 HydrophobicContact CD2-CD1 4.01Å; L563-A565 HydrophobicContact CD1-CB 4.14Å; L563-A565 HydrophobicContact CD2-CB 4.05Å; L563-A565 HydrophobicContact CG-CB 3.82Å
564	Q	93.7	Very high	94.9	Very high	125 Å²	125	56.7 Å²	56.7	58%	0.584	31%	0.309	S	S	*	.			trans	-117.7	36.9	179.8	-60.7	-176.3	53.3	0	0	110.8	V557	V557-Q564 PolarHBondContact O-N 2.81Å
565	A	91	Very high	94.9	Very high	16 Å²	16	56.7 Å²	56.7	13%	0.132	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-80.4	122.4	-177.4	0	0	0	0	0	112.1	K198 L201 C236 L563	K198-A565 HydrophobicContact CG-CB 4.07Å; L201-A565 HydrophobicContact CD1-CB 3.9Å; C236-A565 HydrophobicContact CB-CB 3.87Å; L563-A565 HydrophobicContact CD1-CB 4.14Å; L563-A565 HydrophobicContact CD2-CB 4.05Å; L563-A565 HydrophobicContact CG-CB 3.82Å
566	Q	93	Very high	95	Very high	134 Å²	134	58.7 Å²	58.7	63%	0.626	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-89.1	140.5	175.1	-179.9	177.3	4.4	0	0	110.7	C236 T569	C236-Q566 PolarHBondContact SG-O 3.06Å; Q566-T569 HydrophobicContact CB-CG2 3.75Å; Q566-T569 HydrophobicContact CG-CG2 3.95Å; Q566-T569 PolarHBondContact O-OG1 3Å
567	Q	96.3	Very high	95	Very high	105 Å²	105	59.5 Å²	59.5	49%	0.491	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	136.7	176.5	-177.4	-176.7	-23.2	0	0	111.1	L194 K233 T569	L194-Q567 HydrophobicContact CD1-CB 3.87Å; L194-Q567 HydrophobicContact CD1-CG 4Å; L194-Q567 HydrophobicContact CD2-CG 4.31Å; K233-Q567 WeakPolarHBondContact O-CG 3.34Å; K233-Q567 PolarHBondContact O-NE2 3.01Å; Q567-T569 VanDerWaalsContact C-N 3.33Å; Q567-T569 PolarHBondContact O-N 2.77Å
568	G	95.6	Very high	95.1	Very high	34 Å²	34	63.2 Å²	63.2	35%	0.351	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.5	18.6	174	0	0	0	0	0	114.8	K234 A235	K234-G568 PolarHBondContact O-N 2.69Å; A235-G568 CarbonylContact O-C 3.4Å; A235-G568 VanDerWaalsContact O-CA 3.3Å; A235-G568 WeakPolarHBondContact O-CA 3.42Å; A235-G568 PolarHBondContact O-N 3.41Å
569	T	96.5	Very high	95.1	Very high	28 Å²	28	61.5 Å²	61.5	17%	0.172	34%	0.335	C	S	.	.			trans	-83.6	-19.2	170.2	51	0	0	0	0	113	A235 C236 Q553 Q566 Q567	A235-T569 PolarHBondContact O-N 2.65Å; A235-T569 VanDerWaalsContact O-N 3.13Å; C236-T569 PolarHBondContact O-OG1 3.19Å; Q553-T569 PolarHBondContact NE2-O 2.89Å; Q553-T569 PolarHBondContact OE1-O 3.01Å; Q566-T569 HydrophobicContact CB-CG2 3.75Å; Q566-T569 HydrophobicContact CG-CG2 3.95Å; Q566-T569 PolarHBondContact O-OG1 3Å; Q567-T569 VanDerWaalsContact C-N 3.33Å; Q567-T569 PolarHBondContact O-N 2.77Å
570	G	97	Very high	95.2	Very high	6 Å²	6	63.6 Å²	63.6	6%	0.062	35%	0.348	C	S	.	.			trans	-63.7	138.8	176.8	0	0	0	0	0	112.6	A235 C237	A235-G570 PolarHBondContact O-N 3.24Å; C237-G570 VanDerWaalsContact C-CA 3.47Å; C237-G570 WeakPolarHBondContact O-CA 3.36Å
571	R	98.1	Very high	95.8	Very high	88 Å²	88	64.8 Å²	64.8	33%	0.332	33%	0.333	S	S	.	.			trans	-110.3	137.6	179.3	-53	167.5	-58.4	177.6	6.8	110.1	D238 Y239 D510 L573	D238-R571 WeakPolarHBondContact OD1-CB 3.22Å; D238-R571 IonicContact OD1-CZ 2.8Å; D238-R571 PolarHBondContact OD1-N 2.88Å; D238-R571 VanDerWaalsContact OD1-N 3.14Å; D238-R571 IonicContact OD1-NE 3.85Å; D238-R571 PolarHBondContact OD1-NE 3.28Å; D238-R571 IonicContact OD1-NH2 2.68Å; D238-R571 IonicContact OD2-CZ 3.64Å; D238-R571 IonicContact OD2-NE 3.67Å; D238-R571 PolarHBondContact OD2-NE 3.3Å; D238-R571 IonicContact OD2-NH2 3.26Å; D238-R571 PolarHBondContact OD2-NH2 2.99Å; Y239-R571 PolarHBondContact N-O 2.94Å; D510-R571 IonicContact OD2-NH2 2.73Å; D510-R571 PolarHBondContact OD2-NH2 2.83Å; D510-R571 VanDerWaalsContact OD2-NH2 3.15Å; R571-L573 HydrophobicContact CB-CD2 4.39Å; R571-L573 PolarHBondContact O-N 3.45Å
572	F	98.8	Very high	96.3	Very high	33 Å²	33	62.2 Å²	62.2	15%	0.145	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-63.5	127.5	165.6	-179.7	-110.3	0	0	0	110.8	F224 Q228 Y239 L241 K263 I265 P574	F224-F572 HydrophobicContact CE2-CE2 4.15Å; F224-F572 HydrophobicContact CE2-CZ 4.02Å; F224-F572 HydrophobicContact CZ-CE2 4.47Å; F224-F572 HydrophobicContact CZ-CZ 4.07Å; Q228-F572 VanDerWaalsContact NE2-CD1 3.28Å; Y239-F572 HydrophobicContact CD2-CD2 4.24Å; Y239-F572 HydrophobicContact CE1-CB 3.99Å; Y239-F572 HydrophobicContact CE2-CB 4.29Å; Y239-F572 AromaticContact CE2-CD2 3.68Å; Y239-F572 HydrophobicContact CE2-CD2 3.68Å; Y239-F572 HydrophobicContact CE2-CG 4.46Å; Y239-F572 AromaticContact CZ-CD2 3.99Å; Y239-F572 CarbonylContact O-C 3.44Å; Y239-F572 WeakPolarHBondContact O-CA 3.36Å; L241-F572 HydrophobicContact CB-CE2 4.43Å; L241-F572 HydrophobicContact CD1-CE2 4.39Å; L241-F572 HydrophobicContact CG-CE2 4.27Å; K263-F572 WeakPolarHBondContact O-CE1 3.34Å; K263-F572 WeakPolarHBondContact O-CZ 3.46Å; I265-F572 HydrophobicContact CD1-CE2 4.4Å; I265-F572 HydrophobicContact CD1-CZ 4.04Å; F572-P574 HydrophobicContact CD1-CB 4.49Å; F572-P574 HydrophobicContact CE1-CB 3.92Å; F572-P574 WeakPolarHBondContact O-CD 3.44Å
573	L	98.6	Very high	96.5	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.016	28%	0.275	C	S	.	.			trans	-106	103	175.9	-58.3	-164	0	0	0	110.2	M207 D238 Y239 S240 L498 R501 K502 R571 R575	M207-L573 HydrophobicContact CE-CB 3.96Å; M207-L573 HydrophobicContact CE-CD1 3.86Å; M207-L573 HydrophobicContact CE-CG 4.16Å; M207-L573 HydrophobicContact SD-CD1 3.89Å; D238-L573 HydrophobicContact CB-CD1 3.96Å; D238-L573 HydrophobicContact CB-CG 4.11Å; Y239-L573 PolarHBondContact O-N 2.94Å; S240-L573 WeakPolarHBondContact CB-O 3.48Å; S240-L573 PolarHBondContact OG-O 3.26Å; L498-L573 HydrophobicContact CD2-CB 4.16Å; L498-L573 HydrophobicContact CD2-CD1 4.47Å; R501-L573 VanDerWaalsContact NH2-CD2 3.28Å; K502-L573 VanDerWaalsContact CE-CD1 3.47Å; K502-L573 HydrophobicContact CG-CD1 4.27Å; R571-L573 HydrophobicContact CB-CD2 4.39Å; R571-L573 PolarHBondContact O-N 3.45Å; L573-R575 WeakPolarHBondContact O-CG 3.25Å
574	P	98.3	Very high	96.5	Very high	75 Å²	75	59.4 Å²	59.4	49%	0.487	29%	0.294	S	S	.	.			trans	-68.3	139.2	174.6	27.8	-33.9	0	0	0	110.3	F572	F572-P574 HydrophobicContact CD1-CB 4.49Å; F572-P574 HydrophobicContact CE1-CB 3.92Å; F572-P574 WeakPolarHBondContact O-CD 3.44Å
575	R	98	Very high	96.5	Very high	1 Å²	1	57.5 Å²	57.5	0%	0.004	28%	0.281	C	S	.	.			trans	-118.4	116.5	-172.4	-52.2	-171.3	-49	-101.1	-39.3	109.9	M209 S240 L241 G264 N266 S267 F496 L498 L573	M209-R575 PolarHBondContact SD-NH1 3.04Å; S240-R575 WeakPolarHBondContact OG-CD 3.33Å; S240-R575 PolarHBondContact OG-NH1 3.05Å; S240-R575 VanDerWaalsContact OG-NH1 3.07Å; L241-R575 VanDerWaalsContact O-CZ 3.28Å; L241-R575 PolarHBondContact O-NH1 3Å; L241-R575 PolarHBondContact O-NH2 3.17Å; G264-R575 CarbonylContact C-O 3.58Å; G264-R575 PolarHBondContact O-N 2.87Å; N266-R575 HydrophobicContact CB-CB 4.46Å; N266-R575 WeakPolarHBondContact ND2-CB 3.36Å; N266-R575 WeakPolarHBondContact OD1-CB 3.39Å; N266-R575 PolarHBondContact OD1-NE 2.91Å; N266-R575 PolarHBondContact OD1-NH2 2.94Å; S267-R575 PolarHBondContact OG-NH2 3.49Å; F496-R575 WeakPolarHBondContact O-CB 3.32Å; F496-R575 WeakPolarHBondContact O-CD 3.37Å; L498-R575 HydrophobicContact CD1-CG 4.23Å; L498-R575 HydrophobicContact CD2-CG 4.13Å; L498-R575 HydrophobicContact CG-CG 4.17Å; L573-R575 WeakPolarHBondContact O-CG 3.25Å
576	K	97.1	Very high	96.7	Very high	162 Å²	162	56.8 Å²	56.8	70%	0.704	28%	0.275	S	S	*	.			trans	-66	142.7	-178.3	-67.6	-177.9	180	-179.3	0	111	N266 N497	N266-K576 PolarHBondContact ND2-O 2.91Å; N497-K576 WeakPolarHBondContact CB-O 3.37Å; N497-K576 PolarHBondContact ND2-O 2.63Å
577	P	97.8	Very high	96.7	Very high	35 Å²	35	54.5 Å²	54.5	23%	0.227	26%	0.263	C	S	.	.	S	Bend	trans	-64.4	173.6	170.2	-19.7	31.8	0	0	0	113.5	A260 N266 L295 N497	A260-P577 HydrophobicContact CB-CG 4.32Å; A260-P577 WeakPolarHBondContact O-CG 3.4Å; N266-P577 HydrophobicContact CB-CB 4.5Å; L295-P577 WeakPolarHBondContact O-CB 3.48Å; N497-P577 PolarHBondContact ND2-O 3.07Å
578	F	97.8	Very high	96.5	Very high	90 Å²	90	52.7 Å²	52.7	40%	0.395	26%	0.262	S	S	.	.			trans	54.5	52.2	-174.9	-57.6	-83.2	0	0	0	115.4	Q294 G296 D580 Y583	Q294-F578 VanDerWaalsContact O-CZ 3.32Å; Q294-F578 WeakPolarHBondContact O-CZ 3.48Å; G296-F578 VanDerWaalsContact CA-CD1 3.47Å; G296-F578 WeakPolarHBondContact O-CA 3.35Å; G296-F578 PolarHBondContact O-N 2.89Å; F578-D580 PolarHBondContact O-N 2.85Å; F578-D580 VanDerWaalsContact O-N 3.07Å; F578-Y583 AromaticContact CD1-CD1 3.85Å; F578-Y583 HydrophobicContact CD1-CD1 3.85Å; F578-Y583 HydrophobicContact CD1-CE1 4.16Å; F578-Y583 HydrophobicContact CD1-CG 4.12Å; F578-Y583 HydrophobicContact CE1-CD1 4.4Å; F578-Y583 HydrophobicContact CE1-CE1 4.39Å
579	P	97.7	Very high	96.4	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	25%	0.253	C	S	.	.			trans	-53.5	117.1	170.7	18.1	-27.7	0	0	0	110.6	V298 I495 N497 Y581 A582 Y583	V298-P579 HydrophobicContact CG2-CG 3.77Å; I495-P579 WeakPolarHBondContact O-CB 3.28Å; I495-P579 WeakPolarHBondContact O-CG 3.44Å; N497-P579 HydrophobicContact CB-CB 3.95Å; P579-Y581 PolarHBondContact O-N 3.38Å; P579-A582 HydrophobicContact CG-CB 4.23Å; P579-A582 PolarHBondContact O-N 3.09Å; P579-Y583 HydrophobicContact CG-CD2 4.18Å; P579-Y583 WeakPolarHBondContact O-CB 3.47Å; P579-Y583 PolarHBondContact O-N 3.38Å
580	D	97	Very high	96.1	Very high	88 Å²	88	55.7 Å²	55.7	47%	0.471	27%	0.265	S	S	.	.	H	α-helix	trans	-61.8	-30.7	-172.7	-86.2	-34.7	0	0	0	112.5	F578 A582 Y583 Q584 K587	F578-D580 PolarHBondContact O-N 2.85Å; F578-D580 VanDerWaalsContact O-N 3.07Å; D580-A582 PolarHBondContact O-N 3.48Å; D580-Y583 PolarHBondContact O-N 2.9Å; D580-Q584 HydrophobicContact CB-CB 4.44Å; D580-Q584 WeakPolarHBondContact O-CB 3.43Å; D580-Q584 PolarHBondContact O-N 3.17Å; D580-K587 IonicContact OD1-NZ 3.04Å; D580-K587 PolarHBondContact OD1-NZ 2.78Å
581	Y	96.6	Very high	95.6	Very high	92 Å²	92	62.8 Å²	62.8	36%	0.361	30%	0.297	S	S	.	.	H	α-helix	trans	-56.6	-33.6	173.8	-170.5	-108.7	0	0	0	113.4	F379 K494 I495 P579	F379-Y581 HydrophobicContact CD1-CE1 4.44Å; F379-Y581 AromaticContact CE1-CD1 3.94Å; F379-Y581 HydrophobicContact CE1-CD1 3.94Å; F379-Y581 AromaticContact CE1-CE1 3.53Å; F379-Y581 HydrophobicContact CE1-CE1 3.53Å; F379-Y581 AromaticContact CZ-CD1 3.99Å; F379-Y581 HydrophobicContact CZ-CD1 3.99Å; F379-Y581 HydrophobicContact CZ-CE1 4.07Å; K494-Y581 HydrophobicContact CB-CD1 4.01Å; K494-Y581 HydrophobicContact CB-CD2 4.12Å; K494-Y581 HydrophobicContact CB-CE1 4.49Å; K494-Y581 HydrophobicContact CB-CG 3.81Å; K494-Y581 HydrophobicContact CD-CD2 4.29Å; K494-Y581 HydrophobicContact CD-CE2 4.3Å; K494-Y581 WeakPolarHBondContact O-CB 3.48Å; I495-Y581 HydrophobicContact CD1-CE1 4.29Å; I495-Y581 HydrophobicContact CG1-CD1 3.56Å; I495-Y581 HydrophobicContact CG1-CE1 3.63Å; P579-Y581 PolarHBondContact O-N 3.38Å
582	A	95.4	Very high	95.2	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-90.1	-44.1	172	0	0	0	0	0	112	P353 F379 P579 D580	P353-A582 HydrophobicContact CB-CB 4.03Å; P353-A582 HydrophobicContact CG-CB 4Å; F379-A582 HydrophobicContact CE2-CB 3.9Å; F379-A582 HydrophobicContact CZ-CB 4.15Å; P579-A582 HydrophobicContact CG-CB 4.23Å; P579-A582 PolarHBondContact O-N 3.09Å; D580-A582 PolarHBondContact O-N 3.48Å
583	Y	97.8	Very high	94.3	Very high	4 Å²	4	69.7 Å²	69.7	2%	0.016	34%	0.339	C	S	.	.	H	α-helix	trans	-94.1	-21.4	-163.9	-86.2	-87.1	0	0	0	116.3	K293 G296 A297 P353 F578 P579 D580 R585 V586 K587	K293-Y583 HydrophobicContact CG-CE1 4.44Å; G296-Y583 VanDerWaalsContact C-CE2 3.48Å; G296-Y583 VanDerWaalsContact C-CZ 3.49Å; G296-Y583 WeakPolarHBondContact O-CE2 3.45Å; A297-Y583 PolarHBondContact N-OH 3.09Å; A297-Y583 WeakPolarHBondContact O-CE2 3.49Å; A297-Y583 PolarHBondContact O-OH 2.92Å; P353-Y583 HydrophobicContact CG-CD2 4.1Å; P353-Y583 HydrophobicContact CG-CE1 4.18Å; P353-Y583 HydrophobicContact CG-CE2 3.7Å; P353-Y583 HydrophobicContact CG-CG 4.49Å; F578-Y583 AromaticContact CD1-CD1 3.85Å; F578-Y583 HydrophobicContact CD1-CD1 3.85Å; F578-Y583 HydrophobicContact CD1-CE1 4.16Å; F578-Y583 HydrophobicContact CD1-CG 4.12Å; F578-Y583 HydrophobicContact CE1-CD1 4.4Å; F578-Y583 HydrophobicContact CE1-CE1 4.39Å; P579-Y583 HydrophobicContact CG-CD2 4.18Å; P579-Y583 WeakPolarHBondContact O-CB 3.47Å; P579-Y583 PolarHBondContact O-N 3.38Å; D580-Y583 PolarHBondContact O-N 2.9Å; Y583-R585 VanDerWaalsContact C-N 3.35Å; Y583-R585 PolarHBondContact O-N 3.14Å; Y583-V586 HydrophobicContact CD1-CB 4.25Å; Y583-V586 HydrophobicContact CD1-CG1 4.21Å; Y583-V586 HydrophobicContact CE1-CG1 4.46Å; Y583-V586 CarbonylContact O-C 3.39Å; Y583-V586 WeakPolarHBondContact O-CA 3.43Å; Y583-V586 WeakPolarHBondContact O-CB 3.35Å; Y583-V586 PolarHBondContact O-N 3.02Å; Y583-K587 VanDerWaalsContact O-CG 3.32Å; Y583-K587 WeakPolarHBondContact O-CG 3.48Å; Y583-K587 PolarHBondContact O-N 3.31Å
584	Q	95.4	Very high	93.4	Very high	128 Å²	128	73.1 Å²	73.1	60%	0.598	36%	0.363	S	S	*	.	H	α-helix	trans	-58	-47.9	-178.9	-170.9	-178.2	22.1	0	0	111.2	D580 V586 K587 C588	D580-Q584 HydrophobicContact CB-CB 4.44Å; D580-Q584 WeakPolarHBondContact O-CB 3.43Å; D580-Q584 PolarHBondContact O-N 3.17Å; Q584-V586 VanDerWaalsContact C-N 3.31Å; Q584-V586 PolarHBondContact O-N 3.3Å; Q584-K587 PolarHBondContact O-N 2.91Å; Q584-C588 PolarHBondContact O-N 3.39Å; Q584-C588 VanDerWaalsContact O-N 3.15Å; Q584-C588 PolarHBondContact O-SG 3.5Å
585	R	93.6	Very high	92.6	Very high	85 Å²	85	77.8 Å²	77.8	32%	0.321	38%	0.375	S	S	.	.	H	α-helix	trans	-64.6	-29.4	174	55.2	-175.1	173.3	150.3	1.9	113.8	S376 V377 F379 Y583 R589	S376-R585 PolarHBondContact O-NH1 3.46Å; V377-R585 HydrophobicContact CG2-CG 3.97Å; F379-R585 VanDerWaalsContact CZ-NH2 3.3Å; Y583-R585 VanDerWaalsContact C-N 3.35Å; Y583-R585 PolarHBondContact O-N 3.14Å; R585-R589 VanDerWaalsContact O-CB 3.24Å; R585-R589 WeakPolarHBondContact O-CB 3.21Å; R585-R589 PolarHBondContact O-N 3.41Å; R585-R589 VanDerWaalsContact O-N 3.14Å
586	V	94.1	Very high	92.1	Very high	1 Å²	1	85.6 Å²	85.6	1%	0.006	41%	0.412	C	S	.	.	H	α-helix	trans	-72.1	-45.3	174.9	171.6	0	0	0	0	111.1	N351 P353 V377 Y583 Q584 R589 N590	N351-V586 PolarHBondContact ND2-O 2.96Å; N351-V586 VanDerWaalsContact O-CG1 3.31Å; N351-V586 WeakPolarHBondContact O-CG1 3.34Å; P353-V586 HydrophobicContact CG-CG2 4.05Å; V377-V586 HydrophobicContact CB-CG2 4.46Å; V377-V586 HydrophobicContact CG1-CG2 4.11Å; V377-V586 HydrophobicContact CG2-CG2 4.01Å; Y583-V586 HydrophobicContact CD1-CB 4.25Å; Y583-V586 HydrophobicContact CD1-CG1 4.21Å; Y583-V586 HydrophobicContact CE1-CG1 4.46Å; Y583-V586 CarbonylContact O-C 3.39Å; Y583-V586 WeakPolarHBondContact O-CA 3.43Å; Y583-V586 WeakPolarHBondContact O-CB 3.35Å; Y583-V586 PolarHBondContact O-N 3.02Å; Q584-V586 VanDerWaalsContact C-N 3.31Å; Q584-V586 PolarHBondContact O-N 3.3Å; V586-R589 PolarHBondContact O-N 3.21Å; V586-N590 VanDerWaalsContact O-CG 3.32Å; V586-N590 PolarHBondContact O-N 3.17Å; V586-N590 PolarHBondContact O-ND2 3.04Å
587	K	92.8	Very high	91.8	Very high	86 Å²	86	81.3 Å²	81.3	37%	0.374	41%	0.414	S	S	.	.	H	α-helix	trans	-55	-55.1	176.3	-69.3	166.5	-175.4	171.7	0	110.4	D580 Y583 Q584 R589 N590 Q591	D580-K587 IonicContact OD1-NZ 3.04Å; D580-K587 PolarHBondContact OD1-NZ 2.78Å; Y583-K587 VanDerWaalsContact O-CG 3.32Å; Y583-K587 WeakPolarHBondContact O-CG 3.48Å; Y583-K587 PolarHBondContact O-N 3.31Å; Q584-K587 PolarHBondContact O-N 2.91Å; K587-R589 VanDerWaalsContact C-N 3.35Å; K587-R589 PolarHBondContact O-N 3.49Å; K587-N590 PolarHBondContact O-N 3.37Å; K587-Q591 PolarHBondContact O-N 2.87Å
588	C	92.8	Very high	91.6	Very high	68 Å²	68	84.5 Å²	84.5	46%	0.459	43%	0.432	S	S	.	.	H	α-helix	trans	-60.1	-41.2	177.4	-61.5	0	0	0	0	112.6	Q584 N590 Q591 V592	Q584-C588 PolarHBondContact O-N 3.39Å; Q584-C588 VanDerWaalsContact O-N 3.15Å; Q584-C588 PolarHBondContact O-SG 3.5Å; C588-N590 PolarHBondContact O-N 3.17Å; C588-Q591 PolarHBondContact O-N 2.94Å; C588-V592 PolarHBondContact O-N 3.26Å
589	R	92.9	Very high	91.4	Very high	46 Å²	46	86.9 Å²	86.9	17%	0.174	45%	0.454	C	S	.	.	H	α-helix	trans	-65.8	-36.2	179.8	-169.3	-174.5	-58.3	164.9	-12.2	113	N351 G375 R585 V586 K587 Q591 K593	N351-R589 VanDerWaalsContact OD1-CD 3.31Å; N351-R589 WeakPolarHBondContact OD1-CD 3.29Å; N351-R589 PolarHBondContact OD1-NH1 3.41Å; G375-R589 PolarHBondContact O-NH2 3.4Å; R585-R589 VanDerWaalsContact O-CB 3.24Å; R585-R589 WeakPolarHBondContact O-CB 3.21Å; R585-R589 PolarHBondContact O-N 3.41Å; R585-R589 VanDerWaalsContact O-N 3.14Å; V586-R589 PolarHBondContact O-N 3.21Å; K587-R589 VanDerWaalsContact C-N 3.35Å; K587-R589 PolarHBondContact O-N 3.49Å; R589-Q591 VanDerWaalsContact C-N 3.3Å; R589-Q591 PolarHBondContact O-N 3.06Å; R589-K593 HydrophobicContact CG-CD 3.77Å; R589-K593 HydrophobicContact CG-CG 4Å; R589-K593 WeakPolarHBondContact O-CB 3.45Å; R589-K593 WeakPolarHBondContact O-CG 3.4Å; R589-K593 PolarHBondContact O-N 3.22Å
590	N	89.7	Confident	91.2	Very high	79 Å²	79	96.1 Å²	96.1	42%	0.422	49%	0.489	S	S	.	.	H	α-helix	trans	-63.7	-35.7	176.1	-69.8	-30.6	0	0	0	111.7	K293 N351 V586 K587 C588	K293-N590 PolarHBondContact NZ-OD1 3.07Å; N351-N590 PolarHBondContact ND2-OD1 2.81Å; V586-N590 VanDerWaalsContact O-CG 3.32Å; V586-N590 PolarHBondContact O-N 3.17Å; V586-N590 PolarHBondContact O-ND2 3.04Å; K587-N590 PolarHBondContact O-N 3.37Å; C588-N590 PolarHBondContact O-N 3.17Å
591	Q	88.3	Confident	91	Very high	155 Å²	155	95.3 Å²	95.3	72%	0.724	50%	0.502	S	S	*	.	H	α-helix	trans	-66.8	-42	179.2	-67.1	169.6	-17.5	0	0	112.4	K587 C588 R589	K587-Q591 PolarHBondContact O-N 2.87Å; C588-Q591 PolarHBondContact O-N 2.94Å; R589-Q591 VanDerWaalsContact C-N 3.3Å; R589-Q591 PolarHBondContact O-N 3.06Å
592	V	88.6	Confident	90.7	Very high	117 Å²	117	98.9 Å²	98.9	71%	0.709	53%	0.525	S	S	*	.	H	α-helix	trans	-84.8	-28.5	-177.5	-59.7	0	0	0	0	114	C588 S594	C588-V592 PolarHBondContact O-N 3.26Å; V592-S594 VanDerWaalsContact C-N 3.26Å; V592-S594 PolarHBondContact O-N 2.6Å; V592-S594 VanDerWaalsContact O-N 3.12Å
593	K	80.6	Confident	90.7	Very high	149 Å²	149	106.3 Å²	106.3	65%	0.648	55%	0.554	S	S	*	*			trans	-87	45.7	-178.1	-66.8	-162.4	177.6	-171.1	0	113.5	R589 K595	R589-K593 HydrophobicContact CG-CD 3.77Å; R589-K593 HydrophobicContact CG-CG 4Å; R589-K593 WeakPolarHBondContact O-CB 3.45Å; R589-K593 WeakPolarHBondContact O-CG 3.4Å; R589-K593 PolarHBondContact O-N 3.22Å; K593-K595 PolarHBondContact O-N 3.02Å
594	S	78.6	Confident	90.4	Very high	74 Å²	74	113.9 Å²	113.9	52%	0.517	60%	0.595	S	S	.	*			trans	-64.1	128.2	169	79	0	0	0	0	110	V592 Q596	V592-S594 VanDerWaalsContact C-N 3.26Å; V592-S594 PolarHBondContact O-N 2.6Å; V592-S594 VanDerWaalsContact O-N 3.12Å; S594-Q596 PolarHBondContact OG-NE2 3.08Å
595	K	82.8	Confident	90.2	Very high	173 Å²	173	109 Å²	109	75%	0.752	58%	0.579	S	S	*	*			trans	-87.4	121.9	173.5	-65.6	-176.3	-174.6	176.1	0	108.3	K593	K593-K595 PolarHBondContact O-N 3.02Å
596	Q	86.6	Confident	90.1	Very high	166 Å²	166	110.7 Å²	110.7	78%	0.776	60%	0.601	S	S	*	*			trans	-114.2	133.4	179	-61.5	-177.1	5.8	0	0	109.5	S594	S594-Q596 PolarHBondContact OG-NE2 3.08Å
597	G	90.1	Very high	89.9	Confident	72 Å²	72	116.5 Å²	116.5	74%	0.742	64%	0.636	S	S	*	*			trans	-73	145.7	169.1	0	0	0	0	0	110.1	T599	G597-T599 PolarHBondContact O-N 3.11Å
598	V	94.3	Very high	89.8	Confident	101 Å²	101	122.2 Å²	122.2	61%	0.612	66%	0.657	S	S	*	*			trans	-73.8	115.3	169	179.4	0	0	0	0	108.1	R600	V598-R600 HydrophobicContact CG1-CG 4.25Å; V598-R600 PolarHBondContact O-N 2.8Å
599	T	93.3	Very high	89.4	Confident	140 Å²	140	126 Å²	126	86%	0.859	67%	0.673	S	S	*	*			trans	-59.8	121.3	169.4	-52.5	0	0	0	0	109	G597	G597-T599 PolarHBondContact O-N 3.11Å
600	R	93.9	Very high	88.8	Confident	195 Å²	195	129.3 Å²	129.3	74%	0.736	70%	0.698	S	S	*	*			trans	-122	155.5	176.5	-66.5	-177.6	-179.2	88.8	-6.2	109.2	V598	V598-R600 HydrophobicContact CG1-CG 4.25Å; V598-R600 PolarHBondContact O-N 2.8Å
601	G	92.5	Very high	88.3	Confident	71 Å²	71	129.2 Å²	129.2	73%	0.732	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-62.5	162.7	164.3	0	0	0	0	0	111.1	Y603	G601-Y603 PolarHBondContact O-N 3.49Å
602	I	91.3	Very high	87.4	Confident	166 Å²	166	127.7 Å²	127.7	85%	0.851	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-62.5	133.3	168.4	-60.8	173.4	0	0	0	107.5	D604	I602-D604 PolarHBondContact O-N 3.45Å
603	Y	93.7	Very high	86.1	Confident	156 Å²	156	128.1 Å²	128.1	61%	0.612	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-68.9	119.2	173.8	176.6	-102.9	0	0	0	109.6	G601 G605 P606 V607	G601-Y603 PolarHBondContact O-N 3.49Å; Y603-G605 VanDerWaalsContact CE1-C 3.42Å; Y603-G605 WeakPolarHBondContact CE1-O 3.34Å; Y603-P606 PolarHBondContact OH-O 3.27Å; Y603-P606 VanDerWaalsContact OH-O 3.08Å; Y603-V607 HydrophobicContact CD1-CG2 4.14Å; Y603-V607 HydrophobicContact CE1-CG2 3.82Å
604	D	91.8	Very high	85.1	Confident	163 Å²	163	126.7 Å²	126.7	87%	0.872	72%	0.721	S	S	*	*			trans	-105.7	-1.4	-176.4	61.1	-18	0	0	0	113.3	I602	I602-D604 PolarHBondContact O-N 3.45Å
605	G	92.9	Very high	84	Confident	26 Å²	26	132.2 Å²	132.2	27%	0.268	74%	0.735	S	S	.	*	S	Bend	trans	-75.8	169.7	175.3	0	0	0	0	0	113.9	Y603	Y603-G605 VanDerWaalsContact CE1-C 3.42Å; Y603-G605 WeakPolarHBondContact CE1-O 3.34Å
606	P	90.4	Very high	82.4	Confident	120 Å²	120	135.4 Å²	135.4	78%	0.779	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-68.2	136.2	177.2	28.9	-34.6	0	0	0	111.7	Y603	Y603-P606 PolarHBondContact OH-O 3.27Å; Y603-P606 VanDerWaalsContact OH-O 3.08Å
607	V	90	Very high	80.5	Confident	123 Å²	123	134.6 Å²	134.6	75%	0.745	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-102.2	133.2	169.3	-178.1	0	0	0	0	108.5	Y603	Y603-V607 HydrophobicContact CD1-CG2 4.14Å; Y603-V607 HydrophobicContact CE1-CG2 3.82Å
608	Y	89.9	Confident	78.3	Confident	206 Å²	206	137.3 Å²	137.3	81%	0.808	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-72.8	129.5	176	-168.5	-83.6	0	0	0	110.2	V610	Y608-V610 PolarHBondContact O-N 3.11Å
609	D	84.4	Confident	75.8	Confident	148 Å²	148	138.3 Å²	138.3	79%	0.791	76%	0.755	S	S	*	*			trans	-76.9	112.5	-177.7	-158.9	1.8	0	0	0	110.6
610	V	81.3	Confident	73.2	Confident	115 Å²	115	135.8 Å²	135.8	70%	0.697	75%	0.748	S	S	*	*			trans	-94.9	102.5	-179.1	-177.6	0	0	0	0	108.1	Y608	Y608-V610 PolarHBondContact O-N 3.11Å
611	A	79.2	Confident	70.7	Confident	77 Å²	77	132.9 Å²	132.9	64%	0.636	76%	0.755	S	S	*	*			trans	-51.4	126.4	175.1	0	0	0	0	0	110.1	T613	A611-T613 PolarHBondContact O-N 3.25Å
612	P	69.6	Low	68.1	Low	124 Å²	124	135.2 Å²	135.2	81%	0.805	76%	0.76	S	S	*	*			trans	-65.5	108.7	-174.2	24.5	-33.2	0	0	0	109.9
613	T	61.5	Low	65.4	Low	125 Å²	125	131.5 Å²	131.5	77%	0.767	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-57.5	128.7	168.5	36	0	0	0	0	108.5	A611 K615	A611-T613 PolarHBondContact O-N 3.25Å; T613-K615 PolarHBondContact O-N 3.29Å; T613-K615 VanDerWaalsContact O-N 3.12Å
614	P	58.8	Low	62.8	Low	120 Å²	120	133.4 Å²	133.4	78%	0.779	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-60	123.9	179.7	23.6	-32.3	0	0	0	108.6	Y616	P614-Y616 PolarHBondContact O-N 2.65Å
615	K	55.7	Low	60	Low	189 Å²	189	131.5 Å²	131.5	82%	0.822	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-53.3	130.1	172.3	-65.7	179.3	179.4	179.3	0	107.6	T613 I617	T613-K615 PolarHBondContact O-N 3.29Å; T613-K615 VanDerWaalsContact O-N 3.12Å; K615-I617 VanDerWaalsContact C-N 3.3Å; K615-I617 PolarHBondContact O-N 3.49Å
616	Y	49	Very low	57.4	Low	241 Å²	241	135.7 Å²	135.7	95%	0.945	79%	0.785	S	S	*	*			trans	-63.8	94.2	172.1	-104.8	-98.1	0	0	0	108.6	P614	P614-Y616 PolarHBondContact O-N 2.65Å
617	I	48	Very low	55.5	Low	148 Å²	148	135.7 Å²	135.7	76%	0.759	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-84.4	120	171.6	-64.3	171.5	0	0	0	106.8	K615	K615-I617 VanDerWaalsContact C-N 3.3Å; K615-I617 PolarHBondContact O-N 3.49Å
618	T	42.2	Very low	52.9	Low	130 Å²	130	136.9 Å²	136.9	80%	0.798	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-59.4	122.4	174.1	-35.5	0	0	0	0	109.4	A620	T618-A620 PolarHBondContact O-N 2.67Å
619	P	41.6	Very low	51	Low	121 Å²	121	132.1 Å²	132.1	79%	0.786	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-72.7	123.3	-173.7	26.8	-33.4	0	0	0	111.9
620	A	38.7	Very low	48.9	Very low	87 Å²	87	133.7 Å²	133.7	72%	0.719	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-72.9	158.1	167	0	0	0	0	0	110.8	T618 S622	T618-A620 PolarHBondContact O-N 2.67Å; A620-S622 PolarHBondContact O-N 3.31Å
621	P	41.3	Very low	47.1	Very low	135 Å²	135	137.2 Å²	137.2	88%	0.877	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-69.5	126.4	-163.9	26.9	-34.6	0	0	0	112.8
622	S	38.3	Very low	45.7	Very low	120 Å²	120	139 Å²	139	84%	0.839	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-80.1	122.3	-177.2	-173.4	0	0	0	0	112.1	A620	A620-S622 PolarHBondContact O-N 3.31Å
623	A	35.1	Very low	44.9	Very low	88 Å²	88	138.3 Å²	138.3	73%	0.727	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-79.6	148.6	157.5	0	0	0	0	0	110.1
624	K	38.2	Very low	44.3	Very low	195 Å²	195	138.4 Å²	138.4	85%	0.848	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-48	142.2	-179.1	-54.1	164.7	-177.5	175	0	111.1
625	T	34.8	Very low	43.9	Very low	123 Å²	123	140.8 Å²	140.8	76%	0.755	81%	0.808	S	S	*	*				-168.8	144.2	66.3	35	0	0	0	0	115.1
626	S	37.7	Very low	43.4	Very low	115 Å²	115	142.3 Å²	142.3	80%	0.804	81%	0.809	S	S	*	*			trans	70.3	154.8	139.6	-61.9	0	0	0	0	121.3
627	P	50.3	Low	43.6	Very low	120 Å²	120	135.9 Å²	135.9	78%	0.779	79%	0.791	S	S	*	*			trans	-117.8	155.6	-145.1	40.1	-29.7	0	0	0	115.5
628	T	34.8	Very low	43.8	Very low	148 Å²	148	136.8 Å²	136.8	91%	0.908	80%	0.796	S	S	*	*			trans	-144.7	138.3	153.8	-13.3	0	0	0	0	111.4	H630	T628-H630 PolarHBondContact O-N 3.26Å
629	S	50.3	Low	44.1	Very low	105 Å²	105	139.1 Å²	139.1	73%	0.734	80%	0.798	S	S	*	*			trans	-62.7	119.8	179.9	150.5	0	0	0	0	112.2
630	H	41.4	Very low	44.3	Very low	182 Å²	182	140.6 Å²	140.6	84%	0.843	79%	0.794	S	S	*	*			trans	-157.7	119.7	138.5	-87.8	-64	0	0	0	109.5	T628	T628-H630 PolarHBondContact O-N 3.26Å
631	Q	42.7	Very low	44.6	Very low	189 Å²	189	141.4 Å²	141.4	88%	0.883	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-68.3	133.7	167.8	-76.5	-178.9	-43.1	0	0	109.6
632	P	49.4	Very low	44.5	Very low	113 Å²	113	141.8 Å²	141.8	73%	0.734	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-66.9	147.3	162.7	29.6	-32.8	0	0	0	109.7
633	P	54	Low	44.6	Very low	110 Å²	110	145 Å²	145	71%	0.714	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-63	154	175.8	28.1	-34.8	0	0	0	110.8	I635	P633-I635 PolarHBondContact O-N 3.05Å
634	P	48.5	Very low	45.2	Very low	128 Å²	128	145.1 Å²	145.1	83%	0.831	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-62.6	126	-174.3	25.3	-34.1	0	0	0	111.3	R636	P634-R636 PolarHBondContact O-N 2.97Å; P634-R636 VanDerWaalsContact O-N 3.12Å
635	I	50.4	Low	45.6	Very low	170 Å²	170	143 Å²	143	87%	0.872	78%	0.781	S	S	*	*			trans	-64.2	113.6	176.4	-62	173.5	0	0	0	108.3	P633 N637	P633-I635 PolarHBondContact O-N 3.05Å; I635-N637 PolarHBondContact O-N 3.08Å
636	R	45.4	Very low	46.1	Very low	220 Å²	220	142.2 Å²	142.2	83%	0.83	78%	0.781	S	S	*	*			trans	-70.8	114.9	179.2	-172	175.8	-178.4	173.3	-0.2	109.6	P634 L638	P634-R636 PolarHBondContact O-N 2.97Å; P634-R636 VanDerWaalsContact O-N 3.12Å; R636-L638 PolarHBondContact O-N 3.3Å
637	N	53.6	Low	46.8	Very low	107 Å²	107	139.8 Å²	139.8	57%	0.572	77%	0.773	S	S	*	*			trans	-66.4	115.8	176.5	-171.2	-29.8	0	0	0	110.1	I635 H639	I635-N637 PolarHBondContact O-N 3.08Å; N637-H639 PolarHBondContact O-N 3.32Å; N637-H639 PolarHBondContact OD1-N 3.14Å; N637-H639 VanDerWaalsContact OD1-N 3.14Å
638	L	51.9	Low	47	Very low	166 Å²	166	138.6 Å²	138.6	87%	0.869	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-3.8	-173.5	-99.4	138.5	0	0	0	114.6	R636	R636-L638 PolarHBondContact O-N 3.3Å
639	H	48.8	Very low	48.4	Very low	179 Å²	179	137.3 Å²	137.3	83%	0.829	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	3.7	178.6	-74	-97.3	0	0	0	114.7	N637 S641	N637-H639 PolarHBondContact O-N 3.32Å; N637-H639 PolarHBondContact OD1-N 3.14Å; N637-H639 VanDerWaalsContact OD1-N 3.14Å; H639-S641 PolarHBondContact O-N 3.22Å
640	Q	43.9	Very low	48.4	Very low	153 Å²	153	141 Å²	141	72%	0.715	77%	0.767	S	S	*	*			trans	-93.5	96	170.5	-72.3	-169.3	-12.6	0	0	111.5	N642	Q640-N642 PolarHBondContact O-N 3.29Å
641	S	45.5	Very low	49.1	Very low	104 Å²	104	135.8 Å²	135.8	73%	0.727	75%	0.746	S	S	*	*			trans	-71.6	106	171.9	177.3	0	0	0	0	111.1	H639	H639-S641 PolarHBondContact O-N 3.22Å
642	N	39.8	Very low	50.1	Low	143 Å²	143	131.9 Å²	131.9	77%	0.765	73%	0.731	S	S	*	*			trans	-106.6	85.1	168	-78.5	-1.7	0	0	0	109.8	Q640 S644	Q640-N642 PolarHBondContact O-N 3.29Å; N642-S644 PolarHBondContact O-N 3.26Å
643	F	39.9	Very low	50.5	Low	188 Å²	188	134.1 Å²	134.1	83%	0.825	74%	0.736	S	S	*	*			trans	-72.3	107	164	-126.3	-88.6	0	0	0	108.4
644	S	47.9	Very low	50.9	Low	89 Å²	89	134.7 Å²	134.7	62%	0.622	73%	0.732	S	S	*	*			trans	-126.5	109.4	173.4	-179.9	0	0	0	0	109.3	N642 S646	N642-S644 PolarHBondContact O-N 3.26Å; S644-S646 PolarHBondContact O-N 3.12Å; S644-S646 VanDerWaalsContact O-N 3.11Å
645	L	46.7	Very low	51.3	Low	152 Å²	152	134.3 Å²	134.3	80%	0.796	73%	0.73	S	S	*	*			trans	-80	86.9	173	-75.3	167.8	0	0	0	109.3
646	S	46.1	Very low	51.3	Low	106 Å²	106	137.2 Å²	137.2	74%	0.741	73%	0.73	S	S	*	*			trans	-131.8	85.3	173.6	58.6	0	0	0	0	110.3	S644	S644-S646 PolarHBondContact O-N 3.12Å; S644-S646 VanDerWaalsContact O-N 3.11Å
647	G	52.3	Low	51.2	Low	63 Å²	63	138.5 Å²	138.5	65%	0.649	74%	0.735	S	S	*	*	S	Bend	trans	-166.3	140.9	173.5	0	0	0	0	0	108.5	Q649	G647-Q649 PolarHBondContact O-N 2.97Å
648	A	54.5	Low	50.9	Low	96 Å²	96	139.5 Å²	139.5	79%	0.793	75%	0.75	S	S	*	*			trans	-58.9	136.1	-175.4	0	0	0	0	0	111.4	D652	A648-D652 WeakPolarHBondContact CA-OD2 3.49Å
649	Q	63.7	Low	50.3	Low	121 Å²	121	134.8 Å²	134.8	57%	0.565	74%	0.742	S	S	*	*			trans	-96.3	156.6	178.3	-65.3	-164.9	-23.6	0	0	110.8	G647 D651 D652	G647-Q649 PolarHBondContact O-N 2.97Å; Q649-D651 PolarHBondContact O-N 3.12Å; Q649-D652 PolarHBondContact N-OD2 3.27Å; Q649-D652 WeakPolarHBondContact O-CB 3.41Å; Q649-D652 PolarHBondContact O-N 3.26Å; Q649-D652 VanDerWaalsContact O-N 3.17Å
650	I	50.6	Low	49.7	Very low	181 Å²	181	135.1 Å²	135.1	93%	0.928	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	-8.8	-163.9	-156.4	160.1	0	0	0	113.9
651	D	56.6	Low	49.3	Very low	74 Å²	74	138.7 Å²	138.7	40%	0.396	75%	0.75	S	S	.	*	T	Hydrogen-bonded Turn	trans	-110.4	2	179.4	64.7	-41.6	0	0	0	114.5	Q649 N653 I654	Q649-D651 PolarHBondContact O-N 3.12Å; D651-N653 PolarHBondContact O-N 2.82Å; D651-I654 HydrophobicContact CB-CD1 4.11Å; D651-I654 PolarHBondContact O-N 3.34Å
652	D	62.9	Low	48.9	Very low	106 Å²	106	141 Å²	141	57%	0.567	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.4	-19	-178.2	-81	-28.3	0	0	0	114.1	A648 Q649	A648-D652 WeakPolarHBondContact CA-OD2 3.49Å; Q649-D652 PolarHBondContact N-OD2 3.27Å; Q649-D652 WeakPolarHBondContact O-CB 3.41Å; Q649-D652 PolarHBondContact O-N 3.26Å; Q649-D652 VanDerWaalsContact O-N 3.17Å
653	N	58.3	Low	48.8	Very low	160 Å²	160	139.8 Å²	139.8	86%	0.856	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	6.2	179.2	-71.4	-52.2	0	0	0	114.8	D651 P655	D651-N653 PolarHBondContact O-N 2.82Å; N653-P655 WeakPolarHBondContact O-CD 3.09Å
654	I	62.5	Low	49	Very low	123 Å²	123	134.2 Å²	134.2	63%	0.631	74%	0.739	S	S	*	*	S	Bend	trans	-95.8	114.3	-178.7	-55.4	-180	0	0	0	110.7	D651 R656	D651-I654 HydrophobicContact CB-CD1 4.11Å; D651-I654 PolarHBondContact O-N 3.34Å; I654-R656 PolarHBondContact O-N 3.35Å; I654-R656 VanDerWaalsContact O-N 3.12Å
655	P	56.8	Low	49	Very low	120 Å²	120	136.1 Å²	136.1	78%	0.779	75%	0.749	S	S	*	*			trans	-65.7	113.7	-178.8	-21.3	33.7	0	0	0	112.4	N653 R657	N653-P655 WeakPolarHBondContact O-CD 3.09Å; P655-R657 PolarHBondContact O-N 3.37Å
656	R	49.2	Very low	48.7	Very low	231 Å²	231	135 Å²	135	87%	0.872	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-69.7	121.2	177.8	-67.2	-175	177.7	-173	-0.1	111	I654	I654-R656 PolarHBondContact O-N 3.35Å; I654-R656 VanDerWaalsContact O-N 3.12Å
657	R	44.7	Very low	48.2	Very low	247 Å²	247	134 Å²	134	93%	0.932	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-67.8	136.8	166.9	-78.2	-175.3	173.2	-176.3	-1.8	110.3	P655	P655-R657 PolarHBondContact O-N 3.37Å
658	S	47.1	Very low	47.2	Very low	127 Å²	127	134.9 Å²	134.9	89%	0.888	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-77.3	124.2	170.9	42.7	0	0	0	0	110.9
659	G	38.6	Very low	46.4	Very low	68 Å²	68	141.1 Å²	141.1	70%	0.701	77%	0.77	S	S	*	*			trans	176	113.3	175.9	0	0	0	0	0	116.8
660	H	35.3	Very low	45.1	Very low	186 Å²	186	141 Å²	141	86%	0.861	78%	0.783	S	S	*	*			trans	61.4	114	156.6	-82.8	75.4	0	0	0	120.8
661	R	37.6	Very low	44.3	Very low	228 Å²	228	139 Å²	139	86%	0.86	77%	0.773	S	S	*	*			trans	-87	113.9	166	-178	-175.7	-172.6	173.8	3.6	109.2	V663	R661-V663 HydrophobicContact CG-CG2 4.09Å
662	I	35.5	Very low	43.3	Very low	151 Å²	151	143.4 Å²	143.4	77%	0.774	80%	0.795	S	S	*	*			trans	-102.9	124	170.8	-62.7	176.8	0	0	0	108.5
663	V	39.2	Very low	42.2	Very low	118 Å²	118	144.6 Å²	144.6	72%	0.715	81%	0.807	S	S	*	*			trans	-116.6	90.4	175.9	-179.8	0	0	0	0	108.7	R661	R661-V663 HydrophobicContact CG-CG2 4.09Å
664	A	42.4	Very low	41.4	Very low	72 Å²	72	142.1 Å²	142.1	60%	0.595	80%	0.802	S	S	*	*			trans	169.7	131.8	152.6	0	0	0	0	0	110.4
665	P	47.8	Very low	40.2	Very low	128 Å²	128	145 Å²	145	83%	0.831	82%	0.817	S	S	*	*			trans	-77	135.3	162.9	31.3	-31.3	0	0	0	110.5
666	P	41.9	Very low	39.3	Very low	129 Å²	129	146.6 Å²	146.6	84%	0.838	86%	0.855	S	S	*	*			trans	-88	129.7	-178.9	-4.6	23	0	0	0	113.5
667	G	35.7	Very low	38.8	Very low	85 Å²	85	142.4 Å²	142.4	88%	0.876	86%	0.855	S	S	*	*			trans	83.4	117.9	155.3	0	0	0	0	0	116.7
668	G	31.2	Very low	38.5	Very low	82 Å²	82	136.8 Å²	136.8	85%	0.845	85%	0.851	S	S	*	*			cis	-163.2	167.2	2.4	0	0	0	0	0	114
669	R	36.4	Very low	38	Very low	227 Å²	227	137.4 Å²	137.4	86%	0.857	85%	0.849	S	S	*	*			trans	-92.9	156.5	-178.6	-70.2	174.2	166.4	176.8	-6.1	112.3
670	S	36.1	Very low	37.9	Very low	119 Å²	119	141.5 Å²	141.5	83%	0.832	86%	0.857	S	S	*	*			trans	-163.1	91.3	139.9	-77.3	0	0	0	0	107.5
671	N	34.6	Very low	38.1	Very low	137 Å²	137	138.7 Å²	138.7	73%	0.733	86%	0.857	S	S	*	*				72.5	104.7	93.9	-77.8	9.5	0	0	0	114.3
672	I	35.1	Very low	38.2	Very low	168 Å²	168	132.7 Å²	132.7	86%	0.862	86%	0.857	S	S	*	*			trans	-97	132.8	148.5	-98.7	173.3	0	0	0	107.2
673	T	41.3	Very low	38.3	Very low	131 Å²	131	131.4 Å²	131.4	80%	0.804	86%	0.863	S	S	*	*			trans	-142.3	124.8	156.7	39.1	0	0	0	0	107.8
674	S	40.2	Very low	38.3	Very low	107 Å²	107	132.5 Å²	132.5	75%	0.748	87%	0.874	S	S	*	*			trans	-76.7	142.2	169.8	37.5	0	0	0	0	111.1
675	L	36.9	Very low	37.9	Very low	184 Å²	184	137.5 Å²	137.5	96%	0.963	90%	0.897	S	S	*	*			trans	165.3	124.7	139.2	-91.4	160.8	0	0	0	109
676	G	37.9	Very low	37	Very low	153 Å²	153	138.4 Å²	138.4	100%	1.577	90%	0.903	S	S	*	*			trans	146.9	0	-173.6	0	0	0	0	0	110.3

Retrieved 676 of 676 residues in 149.2 ms (Link to these results)

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