A0A087Y5H2_POEFO Loading...

Methionine aminopeptidase 2

Cotranslationally removes the N-terminal methionine from nascent proteins. The N-terminal methionine is often cleaved when the second residue in the primary sequence is small and uncharged (Met-Ala-, Cys, Gly, Pro, Ser, Thr, or Val). Protects eukaryotic initiation factor EIF2S1 from translation-inhibiting phosphorylation by inhibitory kinases such as EIF2AK2/PKR and EIF2AK1/HCR. Plays a critical role in the regulation of protein synthesis.

AlphaFold DB , UniProt , Accession A0A087Y5H2, Species POEFO (Poecilia formosa, Amazon molly), Gene METAP2, Length 478 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.3	Very low	35.1	Very low	250 Å²	250	142.2 Å²	142.2	100%	1.232	79%	0.79	S	S	*	*				0	122.1	0	-68.2	-173.6	-170.8	0	0	106.3
2	A	34	Very low	34.8	Very low	76 Å²	76	146.4 Å²	146.4	63%	0.628	80%	0.8	S	S	*	*			cis	-171.2	122.6	-10.9	0	0	0	0	0	100.9
3	D	38.2	Very low	34.8	Very low	151 Å²	151	149.6 Å²	149.6	81%	0.807	80%	0.801	S	S	*	*				62.7	135.5	107.7	-53.6	-44.9	0	0	0	112.8
4	V	38.5	Very low	34.9	Very low	122 Å²	122	147.4 Å²	147.4	74%	0.739	80%	0.799	S	S	*	*				-177	123.3	58.2	163.8	0	0	0	0	107.3
5	V	39.3	Very low	34.9	Very low	139 Å²	139	147.6 Å²	147.6	84%	0.842	81%	0.806	S	S	*	*				69.5	143.7	110.6	-168.6	0	0	0	0	115.4
6	A	36.1	Very low	34.7	Very low	74 Å²	74	149.3 Å²	149.3	61%	0.612	81%	0.806	S	S	*	*			cis	-161	145.2	18.3	0	0	0	0	0	108.4
7	E	35.7	Very low	34.6	Very low	167 Å²	167	150.5 Å²	150.5	78%	0.78	81%	0.806	S	S	*	*				72.8	128.6	91.5	-122.4	-174.6	-131.7	0	0	113.2
8	Q	33	Very low	34.3	Very low	171 Å²	171	155.7 Å²	155.7	80%	0.799	81%	0.812	S	S	*	*			cis	-159.6	159.6	48.5	-94.3	174.5	3.3	0	0	114.2
9	I	32	Very low	34.1	Very low	140 Å²	140	156.6 Å²	156.6	72%	0.718	81%	0.812	S	S	*	*			trans	-94.3	142.7	-178.4	-68.9	160.5	0	0	0	110.2	I11	I9-I11 HydrophobicContact CG2-CD1 3.85Å; I9-I11 HydrophobicContact CG2-CG1 3.7Å
10	V	31.6	Very low	33.8	Very low	140 Å²	140	157.1 Å²	157.1	85%	0.848	82%	0.815	S	S	*	*			trans	-132.8	112.3	151.7	-178.7	0	0	0	0	109.7
11	I	32.5	Very low	33.7	Very low	134 Å²	134	157.5 Å²	157.5	69%	0.687	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-89.9	125	171.2	-68.8	160.3	0	0	0	107.4	I9	I9-I11 HydrophobicContact CG2-CD1 3.85Å; I9-I11 HydrophobicContact CG2-CG1 3.7Å
12	Q	31.6	Very low	33.3	Very low	193 Å²	193	149.4 Å²	149.4	90%	0.902	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-88.4	123.2	164.5	-80.9	-175.7	-10.6	0	0	109.7
13	K	34.3	Very low	33.1	Very low	188 Å²	188	155.1 Å²	155.1	82%	0.817	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-96.9	160.6	171.1	-98.5	-170.8	-178.9	-175.3	0	110.9
14	P	36.1	Very low	32.7	Very low	119 Å²	119	152.5 Å²	152.5	77%	0.773	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-83.9	158.5	-161	35	-35.1	0	0	0	113.4
15	V	35.4	Very low	32.3	Very low	150 Å²	150	155.5 Å²	155.5	91%	0.909	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-81.8	136.3	175.6	177.5	0	0	0	0	110.1
16	H	32.5	Very low	31.9	Very low	174 Å²	174	156.1 Å²	156.1	81%	0.806	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-57.4	142	-169.8	-101.6	-63.8	0	0	0	117.3
17	E	31.6	Very low	31.5	Very low	171 Å²	171	163.6 Å²	163.6	80%	0.799	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-53	142.1	156.6	-70.7	160.6	148.5	0	0	112.3
18	R	30.6	Very low	31.2	Very low	244 Å²	244	164.3 Å²	164.3	92%	0.921	83%	0.83	S	S	*	*			trans	-101.6	102.7	163.5	-82.2	-178.1	175.1	177.4	-1.9	108.4
19	E	28.9	Very low	31	Very low	173 Å²	173	165.4 Å²	165.4	81%	0.808	84%	0.835	S	S	*	*			trans	-76.3	134	158.7	-67.5	-179.4	148.6	0	0	109
20	L	29.7	Very low	30.9	Very low	165 Å²	165	163.2 Å²	163.2	86%	0.864	84%	0.838	S	S	*	*			trans	-132.7	86.3	162.5	-88.8	164.8	0	0	0	107.3
21	N	30.4	Very low	30.8	Very low	167 Å²	167	164 Å²	164	89%	0.893	84%	0.837	S	S	*	*			trans	-91.6	130.1	153.4	-82.7	-14.5	0	0	0	107.6
22	G	27.3	Very low	30.9	Very low	79 Å²	79	163.5 Å²	163.5	81%	0.814	84%	0.843	S	S	*	*			trans	-152.1	92.4	171.4	0	0	0	0	0	108.9
23	E	30.9	Very low	30.8	Very low	197 Å²	197	160.4 Å²	160.4	92%	0.921	84%	0.837	S	S	*	*			trans	-67.6	161.8	168.8	-70.5	-178.3	148.3	0	0	111.5
24	A	29.4	Very low	30.5	Very low	95 Å²	95	158.5 Å²	158.5	79%	0.785	84%	0.836	S	S	*	*			trans	-61.1	139.6	-173.1	0	0	0	0	0	114.9
25	E	29	Very low	30.1	Very low	185 Å²	185	161 Å²	161	86%	0.864	84%	0.837	S	S	*	*			trans	-122.7	116.4	149.2	-85.3	-166.3	168.6	0	0	109.8
26	I	31.2	Very low	29.8	Very low	153 Å²	153	158.3 Å²	158.3	79%	0.785	83%	0.831	S	S	*	*			trans	-70.2	125.2	168.7	-64.6	164.4	0	0	0	107.3	E28	I26-E28 HydrophobicContact CG2-CG 4.48Å
27	R	27.8	Very low	29.6	Very low	231 Å²	231	155.1 Å²	155.1	87%	0.872	83%	0.834	S	S	*	*			trans	-114.9	104.8	161.6	-91.9	-176.2	174.5	-177.7	-1.5	109.3
28	E	29.3	Very low	29.5	Very low	181 Å²	181	156.3 Å²	156.3	85%	0.846	84%	0.837	S	S	*	*			trans	-63.8	124.7	156.6	-68.9	179.5	145.8	0	0	108.5	I26	I26-E28 HydrophobicContact CG2-CG 4.48Å
29	E	29.1	Very low	29.3	Very low	195 Å²	195	153.8 Å²	153.8	91%	0.911	83%	0.833	S	S	*	*			trans	-104.1	118.1	155.8	-83.8	-165.4	162.5	0	0	108.3
30	A	29.1	Very low	29.3	Very low	94 Å²	94	155.3 Å²	155.3	78%	0.777	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-81.7	138.4	178.1	0	0	0	0	0	111.2
31	D	29	Very low	29.1	Very low	155 Å²	155	158.7 Å²	158.7	83%	0.829	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-57.6	147.4	163.9	-74.8	-45.6	0	0	0	111.8
32	P	36.3	Very low	29	Very low	124 Å²	124	161.1 Å²	161.1	81%	0.805	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-100.2	118.1	149.5	31.9	-20.7	0	0	0	110
33	V	28.8	Very low	29	Very low	129 Å²	129	166 Å²	166	78%	0.782	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-77.3	127.4	157.7	179.9	0	0	0	0	107.6
34	D	28.3	Very low	28.8	Very low	148 Å²	148	165.5 Å²	165.5	79%	0.791	83%	0.834	S	S	*	*			trans	-159.1	158.9	132.6	-125.2	-22.3	0	0	0	116.2
35	E	28.1	Very low	28.6	Very low	170 Å²	170	170 Å²	170	79%	0.794	84%	0.836	S	S	*	*			trans	-59.8	142	-154.9	-81.2	-175.1	139.3	0	0	122.2
36	A	28.4	Very low	28.5	Very low	94 Å²	94	170 Å²	170	78%	0.777	83%	0.833	S	S	*	*				43.9	119.4	122.3	0	0	0	0	0	122.2
37	A	28.7	Very low	28.1	Very low	107 Å²	107	168.3 Å²	168.3	88%	0.884	84%	0.835	S	S	*	*			trans	-152	126.9	136.9	0	0	0	0	0	112.9
38	K	28.4	Very low	28.1	Very low	197 Å²	197	166.1 Å²	166.1	86%	0.857	83%	0.832	S	S	*	*			trans	-78.3	163.6	-176.8	-70.3	163.6	164.2	159.2	0	114
39	K	27.8	Very low	27.9	Very low	191 Å²	191	162.9 Å²	162.9	83%	0.83	83%	0.829	S	S	*	*			trans	98.1	113.5	148.3	-66.9	170.5	177.6	171.2	0	117.1
40	K	27.9	Very low	27.8	Very low	205 Å²	205	157.6 Å²	157.6	89%	0.891	82%	0.819	S	S	*	*				-172.2	121.8	91	-97.8	174.3	-175.6	172	0	112.6
41	R	25.9	Very low	27.7	Very low	235 Å²	235	159.4 Å²	159.4	89%	0.887	82%	0.82	S	S	*	*			trans	-58.6	141.9	160.8	-79.1	166.7	142.6	174.6	-4	110.8
42	K	28.3	Very low	27.5	Very low	218 Å²	218	158.5 Å²	158.5	95%	0.948	82%	0.821	S	S	*	*			trans	-130.1	131.9	144.5	-114.9	179.6	-179.1	177.9	0	110
43	K	26.4	Very low	27	Very low	182 Å²	182	156.9 Å²	156.9	79%	0.791	82%	0.817	S	S	*	*			trans	-106.1	160.3	-171.9	-130.3	-177.4	-176.1	179.2	0	109
44	K	26.5	Very low	26.9	Very low	186 Å²	186	157 Å²	157	81%	0.809	82%	0.818	S	S	*	*			trans	111.3	135.9	159.9	-73.4	-178.7	171.3	172.4	0	112.8
45	K	26	Very low	26.9	Very low	190 Å²	190	158.6 Å²	158.6	83%	0.826	82%	0.821	S	S	*	*			cis	-159	157.4	17.8	-132.4	174.3	180	-172.8	0	111.3
46	K	26.3	Very low	27.3	Very low	185 Å²	185	156.2 Å²	156.2	80%	0.804	82%	0.82	S	S	*	*			trans	-79.5	153.9	178.7	-99.9	172.5	164.6	172.3	0	113.7
47	S	24.1	Very low	27.3	Very low	117 Å²	117	160.9 Å²	160.9	82%	0.818	83%	0.826	S	S	*	*				-160.6	106.6	128.7	54.5	0	0	0	0	107.7
48	K	27.3	Very low	27.3	Very low	186 Å²	186	160.1 Å²	160.1	81%	0.809	82%	0.82	S	S	*	*				59.7	104.5	73.8	-103.1	-161.1	178.9	-169.4	0	116.1
49	S	24.7	Very low	27.3	Very low	113 Å²	113	158.9 Å²	158.9	79%	0.79	82%	0.823	S	S	*	*				-179.3	106.7	120.9	54.2	0	0	0	0	108.2
50	A	27.8	Very low	27.2	Very low	84 Å²	84	153 Å²	153	69%	0.694	82%	0.815	S	S	*	*				90.5	103.8	82.8	0	0	0	0	0	111.7
51	T	25.9	Very low	27.2	Very low	131 Å²	131	150.2 Å²	150.2	80%	0.804	82%	0.815	S	S	*	*				88	129.5	112.8	45.4	0	0	0	0	112.6
52	T	25.8	Very low	27.3	Very low	137 Å²	137	143 Å²	143	84%	0.84	81%	0.807	S	S	*	*				-154.6	148.4	53.4	20.5	0	0	0	0	112.6
53	A	26.1	Very low	27.8	Very low	89 Å²	89	137.3 Å²	137.3	74%	0.736	80%	0.8	S	S	*	*			trans	-80	165.4	167.1	0	0	0	0	0	111.3
54	V	26.8	Very low	28.2	Very low	132 Å²	132	136.1 Å²	136.1	80%	0.8	80%	0.802	S	S	*	*				177.6	115.2	117.3	170.9	0	0	0	0	107.8
55	E	27.6	Very low	28.7	Very low	181 Å²	181	131.8 Å²	131.8	85%	0.846	80%	0.795	S	S	*	*			trans	-93	158.8	145	-77.1	-172.9	160.2	0	0	107.9
56	P	37.3	Very low	29.5	Very low	121 Å²	121	128.6 Å²	128.6	79%	0.786	79%	0.792	S	S	*	*				-139	169.6	125.6	32.7	-15.6	0	0	0	114.6
57	E	27.1	Very low	30.1	Very low	191 Å²	191	123.2 Å²	123.2	89%	0.893	78%	0.782	S	S	*	*			trans	-74.6	164.7	-163.2	-58.2	-174.1	145	0	0	117.9
58	A	29.8	Very low	30.8	Very low	91 Å²	91	125.5 Å²	125.5	75%	0.752	78%	0.779	S	S	*	*			trans	3.3	132.9	150.1	0	0	0	0	0	121.6
59	D	27.6	Very low	31.5	Very low	172 Å²	172	121.5 Å²	121.5	92%	0.92	77%	0.77	S	S	*	*				-169.2	158.7	108.7	-121.4	-21.2	0	0	0	111.5
60	G	26.4	Very low	32.4	Very low	66 Å²	66	120.8 Å²	120.8	68%	0.68	76%	0.761	S	S	*	*			trans	-89.6	-162.9	-163	0	0	0	0	0	119.6
61	V	28.2	Very low	33	Very low	147 Å²	147	125.5 Å²	125.5	89%	0.891	77%	0.766	S	S	*	*			trans	115.6	112.8	162.2	-171.1	0	0	0	0	116.9
62	A	27.1	Very low	33.6	Very low	85 Å²	85	127.5 Å²	127.5	70%	0.702	77%	0.766	S	S	*	*			trans	59	119.1	140.5	0	0	0	0	0	123.4
63	A	38.6	Very low	34.1	Very low	98 Å²	98	128 Å²	128	81%	0.81	76%	0.763	S	S	*	*				44.7	85	121.9	0	0	0	0	0	118.5
64	D	35.4	Very low	34.5	Very low	156 Å²	156	130.9 Å²	130.9	83%	0.834	77%	0.766	S	S	*	*			trans	-163.7	50.5	150.4	-127.3	-5.7	0	0	0	114.6
65	S	36.5	Very low	35	Very low	95 Å²	95	133.7 Å²	133.7	66%	0.664	77%	0.767	S	S	*	*			trans	-126.2	11	179.5	62.1	0	0	0	0	116
66	V	42.2	Very low	35.2	Very low	124 Å²	124	133.9 Å²	133.9	75%	0.752	77%	0.768	S	S	*	*	S	Bend	trans	-98.7	-8.9	-179.7	-167.2	0	0	0	0	112.7	T70	V66-T70 PolarHBondContact O-OG1 2.87Å
67	A	39.3	Very low	34.8	Very low	72 Å²	72	133.4 Å²	133.4	60%	0.595	77%	0.768	S	S	*	*	S	Bend	trans	-93	-11.3	-178.1	0	0	0	0	0	114.8
68	E	39.1	Very low	35	Very low	164 Å²	164	132 Å²	132	77%	0.766	77%	0.765	S	S	*	*	S	Bend	trans	-100.8	-19.5	-173.3	-145.8	165	-165.4	0	0	113.6
69	V	43	Very low	34.9	Very low	102 Å²	102	136.2 Å²	136.2	62%	0.618	77%	0.769	S	S	*	*	S	Bend	trans	-83.5	-25.4	177.6	-174.5	0	0	0	0	112.2	K71	V69-K71 VanDerWaalsContact C-N 3.3Å; V69-K71 PolarHBondContact O-N 3.46Å
70	T	43	Very low	35	Very low	98 Å²	98	136.8 Å²	136.8	60%	0.601	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	-10.8	-179.7	30.6	0	0	0	0	114.2	V66	V66-T70 PolarHBondContact O-OG1 2.87Å
71	K	40.8	Very low	35	Very low	184 Å²	184	143.2 Å²	143.2	80%	0.8	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-5.8	178.3	-102.3	178	178.8	172.8	0	115.3	V69	V69-K71 VanDerWaalsContact C-N 3.3Å; V69-K71 PolarHBondContact O-N 3.46Å
72	Q	36.9	Very low	34.8	Very low	172 Å²	172	143.6 Å²	143.6	80%	0.804	77%	0.772	S	S	*	*	S	Bend	trans	-99	-1.4	179.7	-77.2	-172.5	-10.3	0	0	114.7
73	L	36.3	Very low	34.9	Very low	147 Å²	147	148.9 Å²	148.9	77%	0.77	78%	0.783	S	S	*	*	S	Bend	trans	-101	-6.4	-178.9	-89.8	148.7	0	0	0	115.2
74	D	35.4	Very low	34.4	Very low	151 Å²	151	153.4 Å²	153.4	81%	0.807	79%	0.787	S	S	*	*	S	Bend	trans	-99	16.3	-178.6	-83.7	-18.2	0	0	0	114.8
75	K	36.5	Very low	34	Very low	190 Å²	190	149.7 Å²	149.7	83%	0.826	79%	0.786	S	S	*	*			trans	-130.8	59.3	177.3	-80.9	-171.9	175.5	-178.7	0	112.8
76	Q	31.5	Very low	33.7	Very low	185 Å²	185	154.3 Å²	154.3	86%	0.864	80%	0.797	S	S	*	*			trans	-148.2	64.5	158.5	-97.6	177.6	4.9	0	0	110.1
77	S	29.8	Very low	33	Very low	111 Å²	111	157.8 Å²	157.8	78%	0.776	81%	0.805	S	S	*	*			trans	-81.7	114.5	157	50.7	0	0	0	0	108.1	E79	S77-E79 PolarHBondContact O-N 3.34Å
78	I	31.2	Very low	32.5	Very low	163 Å²	163	162.5 Å²	162.5	84%	0.836	82%	0.82	S	S	*	*			trans	-80	111.3	175.9	-67.1	170.8	0	0	0	108.2
79	E	27.9	Very low	31.9	Very low	179 Å²	179	158.2 Å²	158.2	84%	0.836	82%	0.82	S	S	*	*			trans	-76.6	132	162	-74	175.3	157.4	0	0	109.3	S77	S77-E79 PolarHBondContact O-N 3.34Å
80	E	28.6	Very low	31.2	Very low	184 Å²	184	160.6 Å²	160.6	86%	0.86	83%	0.829	S	S	*	*			trans	-66.7	127.6	170.9	-66	178.7	151.3	0	0	109.3
81	K	27	Very low	30.5	Very low	201 Å²	201	163.4 Å²	163.4	87%	0.874	84%	0.841	S	S	*	*			trans	-94.5	111.3	167.9	-88.8	-173.8	172.1	-176.6	0	109.1
82	D	25.4	Very low	29.9	Very low	154 Å²	154	158.1 Å²	158.1	82%	0.824	84%	0.839	S	S	*	*			trans	-67.2	126.7	158.6	-70.3	-48	0	0	0	109.3
83	E	28.8	Very low	29.5	Very low	197 Å²	197	158.9 Å²	158.9	92%	0.921	84%	0.842	S	S	*	*			trans	-98.9	108.5	163.1	-81.5	-174.7	165.8	0	0	108.2
84	E	26.9	Very low	29	Very low	192 Å²	192	159.1 Å²	159.1	90%	0.897	84%	0.844	S	S	*	*			trans	-73.9	130.9	166.1	-69	-178.4	156.3	0	0	109.9
85	G	28.1	Very low	28.7	Very low	78 Å²	78	156 Å²	156	80%	0.804	84%	0.839	S	S	*	*			trans	-123.2	112.6	161.2	0	0	0	0	0	108.5
86	E	28.9	Very low	28.7	Very low	192 Å²	192	152.1 Å²	152.1	90%	0.897	84%	0.843	S	S	*	*			trans	-66.7	140.1	170	-70.9	177.8	147.8	0	0	111.2
87	E	29	Very low	28.6	Very low	198 Å²	198	146.9 Å²	146.9	93%	0.925	84%	0.838	S	S	*	*			trans	-156.9	127.7	137.4	-115.8	177.8	-167.8	0	0	110.4
88	D	28.6	Very low	28.8	Very low	170 Å²	170	152 Å²	152	91%	0.909	85%	0.846	S	S	*	*			trans	-67.3	156.1	178.9	-82.4	-46.7	0	0	0	114
89	G	27	Very low	28.8	Very low	75 Å²	75	154.1 Å²	154.1	77%	0.773	85%	0.849	S	S	*	*			trans	145.8	80.5	148.9	0	0	0	0	0	119.2
90	D	28.2	Very low	29.1	Very low	151 Å²	151	155.2 Å²	155.2	81%	0.807	85%	0.852	S	S	*	*			trans	57.8	132.1	133.5	-149.2	29.2	0	0	0	124.9
91	D	28.5	Very low	29.2	Very low	158 Å²	158	156.5 Å²	156.5	85%	0.845	85%	0.854	S	S	*	*			trans	31.5	135	158.2	-94.5	-16.3	0	0	0	126.2
92	G	27.2	Very low	29.6	Very low	73 Å²	73	156.9 Å²	156.9	75%	0.753	86%	0.856	S	S	*	*			trans	150.5	92.3	150.5	0	0	0	0	0	116.9
93	E	28.5	Very low	30.1	Very low	187 Å²	187	159.2 Å²	159.2	87%	0.874	86%	0.859	S	S	*	*			trans	-62.1	125	165.8	-70.2	-177.6	139.7	0	0	112.7
94	N	26.4	Very low	30.7	Very low	153 Å²	153	160 Å²	160	82%	0.818	86%	0.859	S	S	*	*				174.7	137	118.3	-101.5	-56.5	0	0	0	115.6
95	A	29.7	Very low	31.2	Very low	85 Å²	85	160.3 Å²	160.3	70%	0.702	86%	0.857	S	S	*	*			trans	64	108.9	140.3	0	0	0	0	0	122.4
96	A	35.5	Very low	32	Very low	109 Å²	109	166.3 Å²	166.3	90%	0.901	86%	0.861	S	S	*	*				67.7	103.2	128.4	0	0	0	0	0	120.4
97	G	29.8	Very low	33	Very low	74 Å²	74	166.2 Å²	166.2	76%	0.763	86%	0.858	S	S	*	*			trans	-172.6	89	158.4	0	0	0	0	0	113.3	K99	G97-K99 PolarHBondContact O-N 2.84Å
98	K	33.5	Very low	34.3	Very low	219 Å²	219	159.7 Å²	159.7	95%	0.952	84%	0.844	S	S	*	*			trans	-58.4	98.1	173.9	-87.1	176.7	174.8	169	0	111.5
99	K	31.6	Very low	35.9	Very low	207 Å²	207	156.8 Å²	156.8	90%	0.9	84%	0.837	S	S	*	*			trans	-87.7	105.4	159.8	-97.5	178.2	178.7	170.3	0	109.6	G97 K101	G97-K99 PolarHBondContact O-N 2.84Å; K99-K101 PolarHBondContact O-N 3.08Å; K99-K101 VanDerWaalsContact O-N 3.14Å
100	K	33.3	Very low	38.6	Very low	203 Å²	203	158.2 Å²	158.2	88%	0.883	82%	0.822	S	S	*	*			trans	-54.4	114.3	168.7	-89.9	175.8	172.6	171.8	0	109.7	K102	K100-K102 PolarHBondContact O-N 3.16Å
101	K	32.3	Very low	41.8	Very low	211 Å²	211	154.9 Å²	154.9	92%	0.917	82%	0.815	S	S	*	*			trans	-54.1	106.9	162.3	-112.6	174.4	176.9	173.5	0	108.1	K99 K103	K99-K101 PolarHBondContact O-N 3.08Å; K99-K101 VanDerWaalsContact O-N 3.14Å; K101-K103 PolarHBondContact O-N 3.39Å
102	K	34.5	Very low	45.1	Very low	209 Å²	209	149.9 Å²	149.9	91%	0.909	79%	0.787	S	S	*	*			trans	-63.5	105.6	168.8	-105.2	178.7	176.4	175	0	107.4	K100 K104	K100-K102 PolarHBondContact O-N 3.16Å; K102-K104 PolarHBondContact O-N 2.69Å; K102-K104 VanDerWaalsContact O-N 3.16Å
103	K	36.1	Very low	48.4	Very low	202 Å²	202	149.4 Å²	149.4	88%	0.878	77%	0.769	S	S	*	*			trans	-50	118.3	163.7	-103.3	176.6	171.7	176.1	0	107.9	K101 K105	K101-K103 PolarHBondContact O-N 3.39Å; K103-K105 PolarHBondContact O-N 3.34Å
104	K	41.5	Very low	51.6	Low	214 Å²	214	147.7 Å²	147.7	93%	0.93	77%	0.766	S	S	*	*			trans	-55.8	105.1	164.5	-105.2	178.3	175.2	174.9	0	106.5	K102 K106	K102-K104 PolarHBondContact O-N 2.69Å; K102-K104 VanDerWaalsContact O-N 3.16Å; K104-K106 PolarHBondContact O-N 3.17Å
105	K	37	Very low	54.9	Low	198 Å²	198	144.1 Å²	144.1	86%	0.861	75%	0.751	S	S	*	*			trans	-57.8	125.1	166.7	-98.7	-178.7	171.2	-178.9	0	106.4	K103 K107	K103-K105 PolarHBondContact O-N 3.34Å; K105-K107 PolarHBondContact O-N 3.31Å
106	K	44.5	Very low	58.2	Low	204 Å²	204	141 Å²	141	89%	0.887	72%	0.723	S	S	*	*			trans	-47.7	118.7	159.8	-87.9	-178.2	172.2	-179.3	0	106.2	K104 G108	K104-K106 PolarHBondContact O-N 3.17Å; K106-G108 PolarHBondContact O-N 3.2Å
107	K	50.4	Low	61.2	Low	191 Å²	191	138.6 Å²	138.6	83%	0.83	70%	0.7	S	S	*	*			trans	-58.7	113.8	175.9	-138.5	177.2	-177	180	0	105.3	K105	K105-K107 PolarHBondContact O-N 3.31Å
108	G	56.1	Low	64.5	Low	61 Å²	61	136 Å²	136	63%	0.629	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-57.1	157.2	173.2	0	0	0	0	0	109.7	K106 K110	K106-G108 PolarHBondContact O-N 3.2Å; G108-K110 PolarHBondContact O-N 3.02Å
109	S	63.1	Low	67.6	Low	108 Å²	108	126.5 Å²	126.5	76%	0.755	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-48.7	132.2	167.6	42.2	0	0	0	0	108.8	A111	S109-A111 PolarHBondContact O-N 2.6Å
110	K	83.6	Confident	70.8	Confident	106 Å²	106	116.6 Å²	116.6	46%	0.461	59%	0.587	S	S	.	*	P	Polyproline II helix	trans	-63.8	128.6	174.2	-71.7	-175.1	-177.3	-177.1	0	107	G108 V118 E122 L123	G108-K110 PolarHBondContact O-N 3.02Å; K110-V118 HydrophobicContact CD-CG1 4.43Å; K110-E122 IonicContact NZ-OE2 3.41Å; K110-E122 PolarHBondContact NZ-OE2 2.87Å; K110-L123 HydrophobicContact CB-CD2 4.42Å; K110-L123 WeakPolarHBondContact O-CD2 3.46Å
111	A	94.1	Very high	73.9	Confident	80 Å²	80	108.6 Å²	108.6	66%	0.661	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-84.2	155.6	170.1	0	0	0	0	0	109.6	S109	S109-A111 PolarHBondContact O-N 2.6Å
112	Q	97.7	Very high	77	Confident	54 Å²	54	101.9 Å²	101.9	25%	0.252	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-66.4	150.8	170	-172.7	55.1	-88.3	0	0	110.5	P116 V118 L123	Q112-P116 HydrophobicContact CG-CB 4.04Å; Q112-V118 PolarHBondContact NE2-O 3.39Å; Q112-L123 HydrophobicContact CB-CD1 4.34Å
113	T	97.8	Very high	80	Confident	62 Å²	62	92.9 Å²	92.9	38%	0.38	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-90.3	168.7	175.4	56.1	0	0	0	0	112	P115 P116 S117 V118	T113-P115 CarbonylContact C-O 3.45Å; T113-P115 VanDerWaalsContact C-O 3.25Å; T113-P115 WeakPolarHBondContact CB-O 3.28Å; T113-P115 CarbonylContact O-C 3.57Å; T113-P115 VanDerWaalsContact O-C 3.28Å; T113-P115 PolarHBondContact OG1-O 3.27Å; T113-P116 WeakPolarHBondContact O-CA 3.33Å; T113-S117 WeakPolarHBondContact OG1-CB 3.47Å; T113-S117 PolarHBondContact OG1-N 2.91Å; T113-S117 VanDerWaalsContact OG1-N 3.07Å; T113-S117 PolarHBondContact OG1-OG 2.75Å; T113-V118 HydrophobicContact CG2-CG2 4.06Å
114	D	95.4	Very high	83	Confident	151 Å²	151	86.3 Å²	86.3	81%	0.807	46%	0.46	S	S	*	.	S	Bend	trans	-124.8	110.1	168.3	-173.5	14.5	0	0	0	109.4
115	P	96.4	Very high	85.6	Confident	78 Å²	78	81.4 Å²	81.4	51%	0.506	45%	0.45	S	S	.	.	S	Bend	cis	-68.1	159.9	1	30.6	-36.9	0	0	0	113.2	T113 S117	T113-P115 CarbonylContact C-O 3.45Å; T113-P115 VanDerWaalsContact C-O 3.25Å; T113-P115 WeakPolarHBondContact CB-O 3.28Å; T113-P115 CarbonylContact O-C 3.57Å; T113-P115 VanDerWaalsContact O-C 3.28Å; T113-P115 PolarHBondContact OG1-O 3.27Å; P115-S117 PolarHBondContact O-N 3.5Å
116	P	98.2	Very high	88.5	Confident	19 Å²	19	77.4 Å²	77.4	12%	0.123	44%	0.438	C	S	.	.			trans	-60.3	135	179.7	-24.4	35.2	0	0	0	112.6	Q112 T113 H182 L207	Q112-P116 HydrophobicContact CG-CB 4.04Å; T113-P116 WeakPolarHBondContact O-CA 3.33Å; P116-H182 WeakPolarHBondContact CD-ND1 3.29Å; P116-H182 HydrophobicContact CG-CB 3.99Å; P116-L207 HydrophobicContact CB-CD1 3.86Å; P116-L207 HydrophobicContact CB-CD2 3.9Å; P116-L207 HydrophobicContact CB-CG 4.33Å
117	S	98.3	Very high	91	Very high	59 Å²	59	69.4 Å²	69.4	41%	0.413	41%	0.413	S	S	.	.			trans	-151.8	-15	-178.1	69.9	0	0	0	0	114.7	T113 P115	T113-S117 WeakPolarHBondContact OG1-CB 3.47Å; T113-S117 PolarHBondContact OG1-N 2.91Å; T113-S117 VanDerWaalsContact OG1-N 3.07Å; T113-S117 PolarHBondContact OG1-OG 2.75Å; P115-S117 PolarHBondContact O-N 3.5Å
118	V	98.6	Very high	93.3	Very high	20 Å²	20	64 Å²	64	12%	0.121	40%	0.396	C	S	.	.	S	Bend	trans	-84.6	123	179.1	-177.2	0	0	0	0	108.8	K110 Q112 T113 E122 L123 L207	K110-V118 HydrophobicContact CD-CG1 4.43Å; Q112-V118 PolarHBondContact NE2-O 3.39Å; T113-V118 HydrophobicContact CG2-CG2 4.06Å; V118-E122 HydrophobicContact CG1-CB 3.91Å; V118-L123 HydrophobicContact CB-CD2 4.03Å; V118-L123 HydrophobicContact CG1-CD2 3.61Å; V118-L123 HydrophobicContact CG1-CG 4.11Å; V118-L207 VanDerWaalsContact O-CD2 3.29Å; V118-L207 WeakPolarHBondContact O-CD2 3.1Å
119	P	98.8	Very high	95.3	Very high	19 Å²	19	61.7 Å²	61.7	12%	0.123	37%	0.369	C	S	.	.			trans	-57	145.3	177	-24.8	33.2	0	0	0	113.2	C121 E122 L123 K206 L207 K209	P119-C121 VanDerWaalsContact C-N 3.29Å; P119-C121 PolarHBondContact O-N 2.97Å; P119-E122 HydrophobicContact CB-CG 4.31Å; P119-E122 HydrophobicContact CG-CG 4.44Å; P119-E122 WeakPolarHBondContact O-CB 3.13Å; P119-E122 PolarHBondContact O-N 3.22Å; P119-L123 PolarHBondContact O-N 3.14Å; P119-K206 WeakPolarHBondContact CG-O 3.27Å; P119-L207 WeakPolarHBondContact CA-O 3.34Å; P119-K209 HydrophobicContact CB-CB 4.03Å; P119-K209 HydrophobicContact CB-CD 4.33Å; P119-K209 HydrophobicContact CB-CG 4.46Å; P119-K209 HydrophobicContact CG-CB 4.42Å; P119-K209 HydrophobicContact CG-CD 4.48Å; P119-K209 HydrophobicContact CG-CG 4.47Å
120	I	98.7	Very high	97	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-57.5	-42.8	-177.4	-60.1	-47.3	0	0	0	111.4	E122 L123 Y124 F129 Q171 E174 A175 Q178 L207	I120-E122 PolarHBondContact O-N 3.16Å; I120-E122 VanDerWaalsContact O-N 3.07Å; I120-L123 HydrophobicContact CD1-CD1 4.06Å; I120-L123 WeakPolarHBondContact O-CB 3.41Å; I120-L123 PolarHBondContact O-N 3.24Å; I120-Y124 HydrophobicContact CG2-CD2 3.96Å; I120-Y124 HydrophobicContact CG2-CE2 4.14Å; I120-Y124 WeakPolarHBondContact O-CD2 3.39Å; I120-Y124 PolarHBondContact O-N 3.43Å; I120-F129 HydrophobicContact CG2-CD1 3.81Å; I120-F129 HydrophobicContact CG2-CE1 3.86Å; I120-Q171 HydrophobicContact CB-CG 4.38Å; I120-Q171 HydrophobicContact CG2-CG 4.09Å; I120-E174 HydrophobicContact CD1-CG 4.08Å; I120-E174 HydrophobicContact CG1-CG 4.4Å; I120-E174 HydrophobicContact CG2-CB 3.92Å; I120-E174 HydrophobicContact CG2-CG 3.77Å; I120-A175 HydrophobicContact CG1-CB 3.74Å; I120-Q178 HydrophobicContact CD1-CG 4.39Å; I120-L207 HydrophobicContact CD1-CB 4.38Å; I120-L207 HydrophobicContact CG1-CB 4.37Å; I120-L207 WeakPolarHBondContact CG1-O 3.3Å; I120-L207 PolarHBondContact N-O 3.34Å
121	C	98.3	Very high	97.7	Very high	35 Å²	35	57.5 Å²	57.5	24%	0.236	34%	0.344	C	S	.	.	H	α-helix	trans	-58.5	-23.7	177	65.1	0	0	0	0	113.9	P119 Y124 F129	P119-C121 VanDerWaalsContact C-N 3.29Å; P119-C121 PolarHBondContact O-N 2.97Å; C121-Y124 CarbonylContact O-C 3.6Å; C121-F129 HydrophobicContact CB-CZ 4.39Å
122	E	98.2	Very high	97.9	Very high	69 Å²	69	54.4 Å²	54.4	32%	0.322	32%	0.32	S	S	.	.	H	α-helix	trans	-85.9	-20.3	176.6	-63.4	-168.6	-161.6	0	0	113.6	K110 V118 P119 I120	K110-E122 IonicContact NZ-OE2 3.41Å; K110-E122 PolarHBondContact NZ-OE2 2.87Å; V118-E122 HydrophobicContact CG1-CB 3.91Å; P119-E122 HydrophobicContact CB-CG 4.31Å; P119-E122 HydrophobicContact CG-CG 4.44Å; P119-E122 WeakPolarHBondContact O-CB 3.13Å; P119-E122 PolarHBondContact O-N 3.22Å; I120-E122 PolarHBondContact O-N 3.16Å; I120-E122 VanDerWaalsContact O-N 3.07Å
123	L	98.1	Very high	98	Very high	21 Å²	21	56.1 Å²	56.1	11%	0.11	33%	0.328	C	S	.	.	H	α-helix	trans	-76.1	-30.8	172.5	-58.1	178.4	0	0	0	111.2	K110 Q112 V118 P119 I120 P125	K110-L123 HydrophobicContact CB-CD2 4.42Å; K110-L123 WeakPolarHBondContact O-CD2 3.46Å; Q112-L123 HydrophobicContact CB-CD1 4.34Å; V118-L123 HydrophobicContact CB-CD2 4.03Å; V118-L123 HydrophobicContact CG1-CD2 3.61Å; V118-L123 HydrophobicContact CG1-CG 4.11Å; P119-L123 PolarHBondContact O-N 3.14Å; I120-L123 HydrophobicContact CD1-CD1 4.06Å; I120-L123 WeakPolarHBondContact O-CB 3.41Å; I120-L123 PolarHBondContact O-N 3.24Å; L123-P125 VanDerWaalsContact C-CD 3.47Å; L123-P125 WeakPolarHBondContact O-CD 3.46Å
124	Y	98	Very high	98	Very high	64 Å²	64	57.7 Å²	57.7	25%	0.251	33%	0.331	S	S	.	.			trans	-116	73.3	179.9	-58.7	-88.9	0	0	0	111	I120 C121 N126 G127 V128 F129 P130 E174	I120-Y124 HydrophobicContact CG2-CD2 3.96Å; I120-Y124 HydrophobicContact CG2-CE2 4.14Å; I120-Y124 WeakPolarHBondContact O-CD2 3.39Å; I120-Y124 PolarHBondContact O-N 3.43Å; C121-Y124 CarbonylContact O-C 3.6Å; Y124-N126 PolarHBondContact O-N 2.83Å; Y124-N126 VanDerWaalsContact O-N 3.11Å; Y124-G127 PolarHBondContact O-N 2.88Å; Y124-V128 WeakPolarHBondContact CD1-O 3.19Å; Y124-F129 AromaticContact CD2-CD1 3.76Å; Y124-F129 HydrophobicContact CD2-CD1 3.76Å; Y124-F129 HydrophobicContact CD2-CE1 4.12Å; Y124-F129 AromaticContact CG-CD1 3.89Å; Y124-F129 HydrophobicContact CG-CD1 3.89Å; Y124-F129 HydrophobicContact CG-CE1 4.26Å; Y124-P130 HydrophobicContact CE1-CG 3.62Å; Y124-P130 HydrophobicContact CE2-CG 4.25Å; Y124-P130 VanDerWaalsContact CZ-CG 3.43Å; Y124-P130 WeakPolarHBondContact OH-CG 3.27Å; Y124-E174 HydrophobicContact CE2-CG 4.07Å
125	P	96.8	Very high	98	Very high	111 Å²	111	52 Å²	52	72%	0.721	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-12.7	-173.9	28.4	-36.9	0	0	0	114.3	L123	L123-P125 VanDerWaalsContact C-CD 3.47Å; L123-P125 WeakPolarHBondContact O-CD 3.46Å
126	N	96.9	Very high	97.9	Very high	114 Å²	114	53.5 Å²	53.5	61%	0.61	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-6.8	171.4	62.2	-16.2	0	0	0	112.9	Y124 V128	Y124-N126 PolarHBondContact O-N 2.83Å; Y124-N126 VanDerWaalsContact O-N 3.11Å; N126-V128 PolarHBondContact O-N 3.41Å; N126-V128 PolarHBondContact OD1-N 2.76Å
127	G	97.6	Very high	97.8	Very high	35 Å²	35	53.3 Å²	53.3	36%	0.361	30%	0.3	S	S	.	.	S	Bend	trans	69.5	18	-177	0	0	0	0	0	113.9	Y124 N167	Y124-G127 PolarHBondContact O-N 2.88Å; G127-N167 PolarHBondContact O-ND2 2.93Å
128	V	98.1	Very high	97.5	Very high	79 Å²	79	52.2 Å²	52.2	48%	0.479	29%	0.291	S	S	.	.			trans	-112.8	114.9	177.1	-177.4	0	0	0	0	108.6	Y124 N126	Y124-V128 WeakPolarHBondContact CD1-O 3.19Å; N126-V128 PolarHBondContact O-N 3.41Å; N126-V128 PolarHBondContact OD1-N 2.76Å
129	F	98.6	Very high	96.9	Very high	12 Å²	12	55.6 Å²	55.6	5%	0.053	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-96.4	157.3	-174.3	-58.1	-74.3	0	0	0	112.2	I120 C121 Y124 I131 N167 R170 Q171	I120-F129 HydrophobicContact CG2-CD1 3.81Å; I120-F129 HydrophobicContact CG2-CE1 3.86Å; C121-F129 HydrophobicContact CB-CZ 4.39Å; Y124-F129 AromaticContact CD2-CD1 3.76Å; Y124-F129 HydrophobicContact CD2-CD1 3.76Å; Y124-F129 HydrophobicContact CD2-CE1 4.12Å; Y124-F129 AromaticContact CG-CD1 3.89Å; Y124-F129 HydrophobicContact CG-CD1 3.89Å; Y124-F129 HydrophobicContact CG-CE1 4.26Å; F129-I131 PolarHBondContact O-N 3.41Å; F129-N167 WeakPolarHBondContact CD2-ND2 3.43Å; F129-N167 WeakPolarHBondContact CD2-O 3.5Å; F129-N167 WeakPolarHBondContact CD2-OD1 3.48Å; F129-N167 PolarHBondContact N-OD1 2.93Å; F129-R170 HydrophobicContact CB-CB 3.74Å; F129-Q171 HydrophobicContact CD1-CB 4Å; F129-Q171 HydrophobicContact CD1-CG 4.04Å; F129-Q171 HydrophobicContact CD2-CB 3.53Å; F129-Q171 HydrophobicContact CD2-CG 4.21Å; F129-Q171 HydrophobicContact CE1-CB 4.07Å; F129-Q171 HydrophobicContact CE1-CG 3.69Å; F129-Q171 HydrophobicContact CE2-CB 3.61Å; F129-Q171 HydrophobicContact CE2-CG 3.88Å; F129-Q171 HydrophobicContact CG-CB 3.74Å; F129-Q171 HydrophobicContact CG-CG 4.29Å; F129-Q171 HydrophobicContact CZ-CB 3.88Å; F129-Q171 HydrophobicContact CZ-CG 3.61Å
130	P	98.5	Very high	95.8	Very high	37 Å²	37	57.7 Å²	57.7	24%	0.24	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-61	130.1	-178.2	-21.7	33.1	0	0	0	112.2	Y124 R170	Y124-P130 HydrophobicContact CE1-CG 3.62Å; Y124-P130 HydrophobicContact CE2-CG 4.25Å; Y124-P130 VanDerWaalsContact CZ-CG 3.43Å; Y124-P130 WeakPolarHBondContact OH-CG 3.27Å; P130-R170 WeakPolarHBondContact O-CB 3.5Å; P130-R170 WeakPolarHBondContact O-CG 3.05Å
131	I	98.6	Very high	94.7	Very high	88 Å²	88	65.4 Å²	65.4	45%	0.451	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-64.5	143.3	170.7	-50.1	178.9	0	0	0	108.5	F129 E134 E470	F129-I131 PolarHBondContact O-N 3.41Å; I131-E134 HydrophobicContact CG2-CG 3.76Å; I131-E470 HydrophobicContact CG2-CG 4.16Å; I131-E470 WeakPolarHBondContact CG2-OE1 3.35Å
132	G	98.6	Very high	93.6	Very high	16 Å²	16	68.3 Å²	68.3	17%	0.165	38%	0.376	C	S	.	.			trans	-71.5	-162.8	168.6	0	0	0	0	0	112.9	E134 E470	G132-E134 PolarHBondContact O-N 2.81Å; G132-E470 PolarHBondContact N-OE1 3.1Å
133	Q	98.8	Very high	92.6	Very high	89 Å²	89	67.8 Å²	67.8	42%	0.416	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	111.4	175.2	179.1	-172.2	20.1	0	0	109.9	E470 V471 R474	Q133-E470 CarbonylContact O-C 3.56Å; Q133-E470 WeakPolarHBondContact O-CA 3.45Å; Q133-V471 HydrophobicContact CB-CB 4.21Å; Q133-V471 PolarHBondContact N-O 3.38Å; Q133-V471 PolarHBondContact O-N 3.01Å; Q133-R474 HydrophobicContact CB-CB 3.96Å; Q133-R474 HydrophobicContact CB-CG 3.96Å
134	E	98.3	Very high	91.7	Very high	95 Å²	95	75.4 Å²	75.4	44%	0.444	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	138.4	171	-63.4	-172.5	143.4	0	0	110.8	I131 G132 R465 K469	I131-E134 HydrophobicContact CG2-CG 3.76Å; G132-E134 PolarHBondContact O-N 2.81Å; E134-R465 IonicContact OE1-CZ 3.82Å; E134-R465 IonicContact OE1-NH1 2.76Å; E134-R465 PolarHBondContact OE1-NH1 2.83Å; E134-R465 IonicContact OE1-NH2 3.26Å; E134-K469 CarbonylContact C-O 3.54Å; E134-K469 WeakPolarHBondContact CA-O 3.45Å
135	C	96.6	Very high	91	Very high	31 Å²	31	74.6 Å²	74.6	21%	0.209	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	145.6	179.4	-65	0	0	0	0	109.9	K469	C135-K469 HydrophobicContact CB-CB 4.43Å; C135-K469 PolarHBondContact N-O 2.9Å; C135-K469 PolarHBondContact O-N 3.48Å
136	E	94.3	Very high	90.4	Very high	111 Å²	111	69.8 Å²	69.8	52%	0.519	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-63.1	145.5	161.3	-67.7	-178.6	-166.7	0	0	109.8	T147 M150	E136-T147 VanDerWaalsContact OE2-CG2 3.28Å; E136-T147 WeakPolarHBondContact OE2-CG2 3.42Å; E136-M150 HydrophobicContact CB-CE 4.34Å; E136-M150 HydrophobicContact CG-CE 3.53Å; E136-M150 HydrophobicContact CG-SD 3.98Å
137	Y	95.6	Very high	89.7	Confident	14 Å²	14	67.5 Å²	67.5	6%	0.055	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-65.7	149.4	172.2	-77.2	-69.1	0	0	0	110.9	A146 I293 L464 R465 C468 K469	Y137-A146 HydrophobicContact CG-CB 4.47Å; Y137-I293 HydrophobicContact CE1-CB 4.38Å; Y137-I293 HydrophobicContact CE1-CD1 4.06Å; Y137-I293 HydrophobicContact CE1-CG1 3.78Å; Y137-I293 HydrophobicContact CE2-CD1 3.75Å; Y137-I293 HydrophobicContact CE2-CG1 4.38Å; Y137-I293 VanDerWaalsContact CZ-CD1 3.42Å; Y137-I293 VanDerWaalsContact OH-CD1 3.25Å; Y137-I293 WeakPolarHBondContact OH-CD1 3.42Å; Y137-L464 HydrophobicContact CE1-CD2 4.13Å; Y137-L464 WeakPolarHBondContact OH-CA 3.12Å; Y137-L464 PolarHBondContact OH-O 3.42Å; Y137-R465 WeakPolarHBondContact CE2-O 3.44Å; Y137-R465 PolarHBondContact OH-N 2.77Å; Y137-R465 VanDerWaalsContact OH-N 3.16Å; Y137-R465 PolarHBondContact OH-O 3.11Å; Y137-C468 VanDerWaalsContact CE2-C 3.46Å; Y137-C468 PolarHBondContact OH-O 2.89Å; Y137-K469 HydrophobicContact CD1-CB 4.12Å; Y137-K469 HydrophobicContact CE1-CB 3.8Å
138	P	90.7	Very high	89.2	Confident	36 Å²	36	71 Å²	71	23%	0.234	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-61.1	153.2	178.8	27.4	-34.2	0	0	0	111.1	C140 A291 V295	P138-C140 PolarHBondContact O-N 2.73Å; P138-A291 WeakPolarHBondContact CD-O 3.07Å; P138-V295 HydrophobicContact CG-CG2 3.86Å
139	V	87.1	Confident	88.8	Confident	92 Å²	92	68.1 Å²	68.1	56%	0.558	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-66.9	130.2	176.5	-179.7	0	0	0	0	108.7	G143	V139-G143 VanDerWaalsContact CG1-C 3.42Å; V139-G143 WeakPolarHBondContact CG1-O 3.44Å
140	C	75.9	Confident	88	Confident	62 Å²	62	70.4 Å²	70.4	42%	0.419	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-64.3	161	176.7	-69.9	0	0	0	0	111.2	P138 D142 G143 R144	P138-C140 PolarHBondContact O-N 2.73Å; C140-D142 WeakPolarHBondContact CB-OD1 3.48Å; C140-D142 PolarHBondContact O-N 2.79Å; C140-D142 VanDerWaalsContact O-N 3.07Å; C140-G143 WeakPolarHBondContact O-CA 3.37Å; C140-G143 PolarHBondContact O-N 2.65Å; C140-R144 PolarHBondContact N-O 3.47Å; C140-R144 VanDerWaalsContact N-O 3.11Å
141	Q	74.7	Confident	87.4	Confident	163 Å²	163	73.2 Å²	73.2	76%	0.762	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-24.3	177.9	-70.5	-179.6	-7.4	0	0	113.6	G143	Q141-G143 PolarHBondContact O-N 3.49Å
142	D	75.4	Confident	87.1	Confident	96 Å²	96	72.7 Å²	72.7	51%	0.513	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	5.9	174.8	70.9	-12.1	0	0	0	113.8	C140 R144	C140-D142 WeakPolarHBondContact CB-OD1 3.48Å; C140-D142 PolarHBondContact O-N 2.79Å; C140-D142 VanDerWaalsContact O-N 3.07Å; D142-R144 VanDerWaalsContact C-N 3.28Å; D142-R144 PolarHBondContact O-N 3.17Å; D142-R144 WeakPolarHBondContact OD1-CB 3.36Å; D142-R144 PolarHBondContact OD1-N 3.24Å; D142-R144 VanDerWaalsContact OD1-N 3.16Å; D142-R144 WeakPolarHBondContact OD2-CD 3.44Å; D142-R144 IonicContact OD2-CZ 3.45Å; D142-R144 IonicContact OD2-NE 3.17Å; D142-R144 PolarHBondContact OD2-NE 2.9Å; D142-R144 VanDerWaalsContact OD2-NE 3.15Å
143	G	77.9	Confident	86.6	Confident	57 Å²	57	77.8 Å²	77.8	59%	0.588	41%	0.407	S	S	*	.	S	Bend	trans	79.8	2.8	178.1	0	0	0	0	0	114.4	V139 C140 Q141	V139-G143 VanDerWaalsContact CG1-C 3.42Å; V139-G143 WeakPolarHBondContact CG1-O 3.44Å; C140-G143 WeakPolarHBondContact O-CA 3.37Å; C140-G143 PolarHBondContact O-N 2.65Å; Q141-G143 PolarHBondContact O-N 3.49Å
144	R	79.3	Confident	86.3	Confident	181 Å²	181	78.7 Å²	78.7	68%	0.683	41%	0.411	S	S	*	.			trans	-78.4	129.8	-179.7	-64.7	-177.4	-168.4	175.4	6.1	111.2	C140 D142	C140-R144 PolarHBondContact N-O 3.47Å; C140-R144 VanDerWaalsContact N-O 3.11Å; D142-R144 VanDerWaalsContact C-N 3.28Å; D142-R144 PolarHBondContact O-N 3.17Å; D142-R144 WeakPolarHBondContact OD1-CB 3.36Å; D142-R144 PolarHBondContact OD1-N 3.24Å; D142-R144 VanDerWaalsContact OD1-N 3.16Å; D142-R144 WeakPolarHBondContact OD2-CD 3.44Å; D142-R144 IonicContact OD2-CZ 3.45Å; D142-R144 IonicContact OD2-NE 3.17Å; D142-R144 PolarHBondContact OD2-NE 2.9Å; D142-R144 VanDerWaalsContact OD2-NE 3.15Å
145	S	83.3	Confident	86.1	Confident	48 Å²	48	76.5 Å²	76.5	34%	0.336	40%	0.399	S	S	.	.			trans	-74	148.3	168.9	171	0	0	0	0	110.7	T147	S145-T147 VanDerWaalsContact C-N 3.34Å; S145-T147 WeakPolarHBondContact OG-CG2 3.45Å; S145-T147 PolarHBondContact OG-N 3.27Å; S145-T147 VanDerWaalsContact OG-N 3.17Å; S145-T147 PolarHBondContact OG-OG1 2.92Å
146	A	84.6	Confident	85.9	Confident	10 Å²	10	80.7 Å²	80.7	8%	0.083	41%	0.41	C	S	.	.	S	Bend	trans	-91.8	10.9	175.3	0	0	0	0	0	113.7	Y137 W148 R149	Y137-A146 HydrophobicContact CG-CB 4.47Å; A146-W148 PolarHBondContact O-N 3.29Å; A146-W148 VanDerWaalsContact O-N 3.1Å; A146-R149 WeakPolarHBondContact O-CB 3.38Å; A146-R149 PolarHBondContact O-N 2.88Å
147	T	82.2	Confident	85.9	Confident	65 Å²	65	79.5 Å²	79.5	40%	0.399	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-28.6	178.1	43	0	0	0	0	113.6	E136 S145 R149 M150	E136-T147 VanDerWaalsContact OE2-CG2 3.28Å; E136-T147 WeakPolarHBondContact OE2-CG2 3.42Å; S145-T147 VanDerWaalsContact C-N 3.34Å; S145-T147 WeakPolarHBondContact OG-CG2 3.45Å; S145-T147 PolarHBondContact OG-N 3.27Å; S145-T147 VanDerWaalsContact OG-N 3.17Å; S145-T147 PolarHBondContact OG-OG1 2.92Å; T147-R149 PolarHBondContact O-N 3.12Å; T147-M150 PolarHBondContact O-N 3.38Å; T147-M150 VanDerWaalsContact O-N 3.15Å
148	W	86.4	Confident	85.8	Confident	109 Å²	109	81.6 Å²	81.6	41%	0.413	42%	0.421	S	S	.	.	H	α-helix	trans	-58.2	-29.7	175.4	66.7	-93.7	0	0	0	113	A146 M150 T151 M152 R155	A146-W148 PolarHBondContact O-N 3.29Å; A146-W148 VanDerWaalsContact O-N 3.1Å; W148-M150 PolarHBondContact O-N 2.87Å; W148-T151 PolarHBondContact O-N 3.02Å; W148-T151 PolarHBondContact O-OG1 3.33Å; W148-M152 HydrophobicContact CE3-CB 4.22Å; W148-M152 HydrophobicContact CE3-SD 3.54Å; W148-M152 VanDerWaalsContact CE3-SD 3.54Å; W148-M152 HydrophobicContact CZ3-SD 3.41Å; W148-M152 WeakPolarHBondContact CZ3-SD 3.49Å; W148-M152 VanDerWaalsContact O-CB 3.25Å; W148-M152 WeakPolarHBondContact O-CB 3.31Å; W148-M152 PolarHBondContact O-N 3.08Å; W148-R155 HydrophobicContact CZ3-CG 4.19Å
149	R	89.3	Confident	86.1	Confident	18 Å²	18	80.1 Å²	80.1	7%	0.068	41%	0.411	C	S	.	.	H	α-helix	trans	-63.2	-30.6	179	-70.5	179.9	166	-85.7	3.8	112.5	A146 T147 R155 E357 P466	A146-R149 WeakPolarHBondContact O-CB 3.38Å; A146-R149 PolarHBondContact O-N 2.88Å; T147-R149 PolarHBondContact O-N 3.12Å; R149-R155 WeakPolarHBondContact O-CB 3.36Å; R149-E357 IonicContact CZ-OE2 2.77Å; R149-E357 IonicContact NH1-OE2 3.83Å; R149-E357 PolarHBondContact NH1-OE2 3.27Å; R149-E357 IonicContact NH2-OE2 3.97Å; R149-P466 PolarHBondContact NH1-O 2.57Å
150	M	83.1	Confident	86.4	Confident	61 Å²	61	83.6 Å²	83.6	30%	0.3	42%	0.419	S	S	.	.	H	α-helix	trans	-75.4	-24.7	-179	-67.7	-175.7	162.7	0	0	113.4	E136 T147 W148 R156 T467 C468	E136-M150 HydrophobicContact CB-CE 4.34Å; E136-M150 HydrophobicContact CG-CE 3.53Å; E136-M150 HydrophobicContact CG-SD 3.98Å; T147-M150 PolarHBondContact O-N 3.38Å; T147-M150 VanDerWaalsContact O-N 3.15Å; W148-M150 PolarHBondContact O-N 2.87Å; M150-R156 VanDerWaalsContact O-CZ 3.28Å; M150-R156 PolarHBondContact O-NE 3.37Å; M150-R156 PolarHBondContact O-NH2 3.03Å; M150-T467 VanDerWaalsContact CG-O 3.3Å; M150-T467 WeakPolarHBondContact CG-O 3.5Å; M150-C468 HydrophobicContact CE-CB 3.87Å
151	T	84.8	Confident	87.4	Confident	96 Å²	96	84.6 Å²	84.6	59%	0.589	43%	0.431	S	S	*	.	H	α-helix	trans	-108.5	-20.5	-175.9	56.6	0	0	0	0	113.4	W148 E153	W148-T151 PolarHBondContact O-N 3.02Å; W148-T151 PolarHBondContact O-OG1 3.33Å; T151-E153 PolarHBondContact O-N 3.37Å
152	M	91.5	Very high	88.4	Confident	77 Å²	77	80.1 Å²	80.1	38%	0.379	41%	0.413	S	S	.	.			trans	-67.3	122.4	179.9	-169.8	166.8	-175.4	0	0	111.5	W148 E154 R155 R156	W148-M152 HydrophobicContact CE3-CB 4.22Å; W148-M152 HydrophobicContact CE3-SD 3.54Å; W148-M152 VanDerWaalsContact CE3-SD 3.54Å; W148-M152 HydrophobicContact CZ3-SD 3.41Å; W148-M152 WeakPolarHBondContact CZ3-SD 3.49Å; W148-M152 VanDerWaalsContact O-CB 3.25Å; W148-M152 WeakPolarHBondContact O-CB 3.31Å; W148-M152 PolarHBondContact O-N 3.08Å; M152-E154 VanDerWaalsContact C-N 3.32Å; M152-E154 HydrophobicContact CE-CB 4.47Å; M152-E154 WeakPolarHBondContact CE-OE2 3.47Å; M152-E154 HydrophobicContact CG-CB 4.43Å; M152-E154 PolarHBondContact O-N 2.95Å; M152-R155 HydrophobicContact CB-CG 4.24Å; M152-R155 HydrophobicContact CG-CG 4.5Å; M152-R155 PolarHBondContact O-N 3.03Å; M152-R155 VanDerWaalsContact O-N 3.15Å; M152-R156 PolarHBondContact O-N 3.47Å
153	E	90	Very high	89.5	Confident	123 Å²	123	78.9 Å²	78.9	58%	0.575	40%	0.404	S	S	*	.	H	α-helix	trans	-60.1	-40.9	-173.5	-170.8	58.9	-154.7	0	0	112.6	T151 R155 R156 V157	T151-E153 PolarHBondContact O-N 3.37Å; E153-R155 VanDerWaalsContact C-N 3.33Å; E153-R155 PolarHBondContact O-N 2.93Å; E153-R156 PolarHBondContact O-N 3.29Å; E153-R156 VanDerWaalsContact O-N 3.17Å; E153-V157 HydrophobicContact CG-CG2 4.48Å; E153-V157 WeakPolarHBondContact O-CG2 3.44Å; E153-V157 PolarHBondContact O-N 2.87Å
154	E	92.3	Very high	90.4	Very high	108 Å²	108	84.1 Å²	84.1	51%	0.505	41%	0.413	S	S	.	.	H	α-helix	trans	-55.8	-46.2	176.7	-172.6	-171.9	-172.4	0	0	111.9	M152 R156 V157 M158	M152-E154 VanDerWaalsContact C-N 3.32Å; M152-E154 HydrophobicContact CE-CB 4.47Å; M152-E154 WeakPolarHBondContact CE-OE2 3.47Å; M152-E154 HydrophobicContact CG-CB 4.43Å; M152-E154 PolarHBondContact O-N 2.95Å; E154-R156 PolarHBondContact O-N 3.49Å; E154-V157 PolarHBondContact O-N 2.81Å; E154-M158 HydrophobicContact CG-CE 4.02Å; E154-M158 WeakPolarHBondContact O-CG 3.16Å; E154-M158 PolarHBondContact O-N 3.38Å
155	R	92.8	Very high	91.3	Very high	49 Å²	49	77 Å²	77	19%	0.185	39%	0.389	C	S	.	.	H	α-helix	trans	-65.9	-39.3	179	-63.3	-68.7	170.9	-159.2	-8.3	111.4	W148 R149 M152 E153 M158 D159 E357 P466 T467	W148-R155 HydrophobicContact CZ3-CG 4.19Å; R149-R155 WeakPolarHBondContact O-CB 3.36Å; M152-R155 HydrophobicContact CB-CG 4.24Å; M152-R155 HydrophobicContact CG-CG 4.5Å; M152-R155 PolarHBondContact O-N 3.03Å; M152-R155 VanDerWaalsContact O-N 3.15Å; E153-R155 VanDerWaalsContact C-N 3.33Å; E153-R155 PolarHBondContact O-N 2.93Å; R155-M158 HydrophobicContact CG-CE 4.47Å; R155-M158 VanDerWaalsContact NH1-CE 3.29Å; R155-M158 PolarHBondContact O-N 3.23Å; R155-D159 WeakPolarHBondContact O-CB 3.37Å; R155-D159 PolarHBondContact O-N 2.8Å; R155-E357 IonicContact CZ-OE1 2.83Å; R155-E357 IonicContact CZ-OE2 3.71Å; R155-E357 IonicContact NE-OE2 3.92Å; R155-E357 IonicContact NH1-OE1 3.44Å; R155-E357 PolarHBondContact NH1-OE1 2.95Å; R155-E357 IonicContact NH1-OE2 3.48Å; R155-E357 PolarHBondContact NH1-OE2 2.9Å; R155-P466 HydrophobicContact CB-CB 4.27Å; R155-T467 HydrophobicContact CB-CG2 4.14Å
156	R	93.1	Very high	92.1	Very high	119 Å²	119	75 Å²	75	45%	0.449	37%	0.374	S	S	.	.	H	α-helix	trans	-64.2	-41.8	176.6	-69.9	177.1	170.9	-175.2	-4	112.5	M150 M152 E153 E154 D159 K160 T467	M150-R156 VanDerWaalsContact O-CZ 3.28Å; M150-R156 PolarHBondContact O-NE 3.37Å; M150-R156 PolarHBondContact O-NH2 3.03Å; M152-R156 PolarHBondContact O-N 3.47Å; E153-R156 PolarHBondContact O-N 3.29Å; E153-R156 VanDerWaalsContact O-N 3.17Å; E154-R156 PolarHBondContact O-N 3.49Å; R156-D159 PolarHBondContact O-N 3.23Å; R156-K160 VanDerWaalsContact O-CB 3.31Å; R156-K160 WeakPolarHBondContact O-CB 3.37Å; R156-K160 PolarHBondContact O-N 3.38Å; R156-T467 HydrophobicContact CG-CG2 4.05Å
157	V	94.6	Very high	92.8	Very high	85 Å²	85	75.6 Å²	75.6	52%	0.515	38%	0.376	S	S	.	.	H	α-helix	trans	-64.5	-44.5	176.2	173.2	0	0	0	0	110.5	E153 E154 K160 A161	E153-V157 HydrophobicContact CG-CG2 4.48Å; E153-V157 WeakPolarHBondContact O-CG2 3.44Å; E153-V157 PolarHBondContact O-N 2.87Å; E154-V157 PolarHBondContact O-N 2.81Å; V157-K160 PolarHBondContact O-N 2.81Å; V157-A161 WeakPolarHBondContact O-CB 3.18Å; V157-A161 PolarHBondContact O-N 3.41Å
158	M	93.6	Very high	93.6	Very high	58 Å²	58	73.9 Å²	73.9	29%	0.286	37%	0.365	S	S	.	.	H	α-helix	trans	-64.5	-39.2	177.1	-71.6	-171	-62.6	0	0	113.1	E154 R155 A161 N162 P466	E154-M158 HydrophobicContact CG-CE 4.02Å; E154-M158 WeakPolarHBondContact O-CG 3.16Å; E154-M158 PolarHBondContact O-N 3.38Å; R155-M158 HydrophobicContact CG-CE 4.47Å; R155-M158 VanDerWaalsContact NH1-CE 3.29Å; R155-M158 PolarHBondContact O-N 3.23Å; M158-A161 PolarHBondContact O-N 3.14Å; M158-N162 PolarHBondContact O-ND2 2.84Å; M158-P466 HydrophobicContact CB-CB 4.29Å; M158-P466 HydrophobicContact CB-CG 4.05Å
159	D	95.4	Very high	94.2	Very high	5 Å²	5	69 Å²	69	3%	0.027	35%	0.346	C	S	.	.	H	α-helix	trans	-65.9	-47.3	177.5	-160.1	-7.3	0	0	0	110.7	R155 R156 A161 N162 E163 W166 R465 P466 T467	R155-D159 WeakPolarHBondContact O-CB 3.37Å; R155-D159 PolarHBondContact O-N 2.8Å; R156-D159 PolarHBondContact O-N 3.23Å; D159-A161 VanDerWaalsContact C-N 3.27Å; D159-A161 PolarHBondContact O-N 2.79Å; D159-N162 PolarHBondContact O-N 3.43Å; D159-E163 PolarHBondContact O-N 3.42Å; D159-W166 PolarHBondContact O-NE1 3.13Å; D159-W166 PolarHBondContact OD1-NE1 3.38Å; D159-R465 IonicContact OD1-CZ 2.77Å; D159-R465 IonicContact OD1-NE 2.78Å; D159-R465 PolarHBondContact OD1-NE 3.46Å; D159-R465 IonicContact OD1-NH2 2.67Å; D159-R465 IonicContact OD2-CZ 3.59Å; D159-R465 IonicContact OD2-NE 2.78Å; D159-R465 PolarHBondContact OD2-NE 2.99Å; D159-R465 IonicContact OD2-NH2 3.15Å; D159-R465 PolarHBondContact OD2-NH2 2.6Å; D159-P466 HydrophobicContact CB-CB 4.22Å; D159-P466 HydrophobicContact CB-CG 4.14Å; D159-T467 HydrophobicContact CB-CG2 3.89Å; D159-T467 WeakPolarHBondContact OD2-CB 3.37Å; D159-T467 WeakPolarHBondContact OD2-CG2 3.43Å; D159-T467 PolarHBondContact OD2-OG1 3.26Å
160	K	95.1	Very high	94.6	Very high	166 Å²	166	68.2 Å²	68.2	72%	0.722	34%	0.343	S	S	*	.	H	α-helix	trans	-61.9	-32.6	176.4	-172.9	174.7	-178.6	179.7	0	113	R156 V157 N162 E163	R156-K160 VanDerWaalsContact O-CB 3.31Å; R156-K160 WeakPolarHBondContact O-CB 3.37Å; R156-K160 PolarHBondContact O-N 3.38Å; V157-K160 PolarHBondContact O-N 2.81Å; K160-N162 PolarHBondContact O-N 3.47Å; K160-E163 VanDerWaalsContact O-CB 3.31Å; K160-E163 WeakPolarHBondContact O-CB 3.45Å; K160-E163 PolarHBondContact O-N 3.08Å
161	A	96.1	Very high	95.4	Very high	82 Å²	82	66.3 Å²	66.3	68%	0.678	33%	0.334	S	S	*	.	H	α-helix	trans	-63.6	-23.1	175.6	0	0	0	0	0	112.8	V157 M158 D159	V157-A161 WeakPolarHBondContact O-CB 3.18Å; V157-A161 PolarHBondContact O-N 3.41Å; M158-A161 PolarHBondContact O-N 3.14Å; D159-A161 VanDerWaalsContact C-N 3.27Å; D159-A161 PolarHBondContact O-N 2.79Å
162	N	96.4	Very high	96	Very high	70 Å²	70	61.8 Å²	61.8	37%	0.374	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	11.3	178.2	-67.9	-76.6	0	0	0	113.1	M158 D159 K160 E164 V165 W166	M158-N162 PolarHBondContact O-ND2 2.84Å; D159-N162 PolarHBondContact O-N 3.43Å; K160-N162 PolarHBondContact O-N 3.47Å; N162-E164 VanDerWaalsContact C-N 3.26Å; N162-E164 PolarHBondContact O-N 3.08Å; N162-V165 WeakPolarHBondContact O-CA 3.44Å; N162-V165 WeakPolarHBondContact O-CB 3.15Å; N162-V165 PolarHBondContact O-N 2.94Å; N162-W166 HydrophobicContact CB-CD2 4.43Å; N162-W166 HydrophobicContact CB-CZ2 3.62Å; N162-W166 PolarHBondContact O-N 3.09Å; N162-W166 VanDerWaalsContact O-N 3.13Å
163	E	97.8	Very high	96.4	Very high	70 Å²	70	58.1 Å²	58.1	33%	0.327	29%	0.288	S	S	.	.	H	α-helix	trans	-57.7	-36.6	-173.3	-173.7	61.4	-158.8	0	0	113.1	D159 K160 V165 W166 N167 R170	D159-E163 PolarHBondContact O-N 3.42Å; K160-E163 VanDerWaalsContact O-CB 3.31Å; K160-E163 WeakPolarHBondContact O-CB 3.45Å; K160-E163 PolarHBondContact O-N 3.08Å; E163-V165 VanDerWaalsContact C-N 3.31Å; E163-V165 PolarHBondContact O-N 3.48Å; E163-W166 PolarHBondContact O-N 3.48Å; E163-N167 WeakPolarHBondContact O-CB 3.43Å; E163-N167 PolarHBondContact O-N 3.35Å; E163-R170 IonicContact OE1-CZ 3.46Å; E163-R170 IonicContact OE1-NH1 3.42Å; E163-R170 PolarHBondContact OE1-NH1 3.45Å; E163-R170 IonicContact OE2-NH1 3.71Å
164	E	97.7	Very high	96.8	Very high	167 Å²	167	53.3 Å²	53.3	78%	0.78	27%	0.265	S	S	*	.	H	α-helix	trans	-61.5	-40	176.1	-66	-175.2	177	0	0	111.8	N162 N167 D168	N162-E164 VanDerWaalsContact C-N 3.26Å; N162-E164 PolarHBondContact O-N 3.08Å; E164-N167 PolarHBondContact O-N 3.31Å; E164-D168 PolarHBondContact O-N 3.15Å
165	V	98.5	Very high	97.1	Very high	30 Å²	30	48.2 Å²	48.2	18%	0.182	24%	0.241	C	C	.	.	H	α-helix	trans	-65.7	-46.2	177	174.1	0	0	0	0	110.7	N162 E163 N167 D168 F169 R259	N162-V165 WeakPolarHBondContact O-CA 3.44Å; N162-V165 WeakPolarHBondContact O-CB 3.15Å; N162-V165 PolarHBondContact O-N 2.94Å; E163-V165 VanDerWaalsContact C-N 3.31Å; E163-V165 PolarHBondContact O-N 3.48Å; V165-N167 VanDerWaalsContact C-N 3.29Å; V165-N167 PolarHBondContact O-N 3.49Å; V165-D168 PolarHBondContact O-N 3.25Å; V165-F169 HydrophobicContact CG1-CD2 4.14Å; V165-F169 HydrophobicContact CG1-CE2 3.81Å; V165-F169 VanDerWaalsContact O-CD2 3.22Å; V165-F169 WeakPolarHBondContact O-CD2 3.46Å; V165-F169 PolarHBondContact O-N 3.39Å; V165-R259 HydrophobicContact CG1-CG 4.47Å
166	W	98.6	Very high	97.4	Very high	7 Å²	7	45.9 Å²	45.9	3%	0.027	23%	0.233	C	C	.	.	H	α-helix	trans	-63.2	-39	177.6	-49.5	144.8	0	0	0	111.8	D159 N162 E163 F169 R170 L463 R465	D159-W166 PolarHBondContact O-NE1 3.13Å; D159-W166 PolarHBondContact OD1-NE1 3.38Å; N162-W166 HydrophobicContact CB-CD2 4.43Å; N162-W166 HydrophobicContact CB-CZ2 3.62Å; N162-W166 PolarHBondContact O-N 3.09Å; N162-W166 VanDerWaalsContact O-N 3.13Å; E163-W166 PolarHBondContact O-N 3.48Å; W166-F169 HydrophobicContact CE3-CD2 4.23Å; W166-F169 HydrophobicContact CE3-CE2 4.5Å; W166-F169 HydrophobicContact CZ3-CE2 4.48Å; W166-F169 WeakPolarHBondContact O-CB 3.49Å; W166-F169 PolarHBondContact O-N 2.96Å; W166-R170 VanDerWaalsContact O-CG 3.27Å; W166-R170 WeakPolarHBondContact O-CG 3.37Å; W166-R170 PolarHBondContact O-N 3.17Å; W166-L463 HydrophobicContact CD2-CD1 4.48Å; W166-L463 HydrophobicContact CE3-CB 4.5Å; W166-L463 HydrophobicContact CE3-CD1 3.89Å; W166-L463 HydrophobicContact CE3-CD2 4.43Å; W166-L463 HydrophobicContact CZ3-CB 4.46Å; W166-L463 HydrophobicContact CZ3-CD2 4.47Å; W166-R465 HydrophobicContact CD2-CG 3.99Å; W166-R465 HydrophobicContact CE3-CG 4.42Å; W166-R465 HydrophobicContact CG-CG 4.41Å; W166-R465 HydrophobicContact CH2-CG 4.38Å; W166-R465 HydrophobicContact CZ2-CG 3.92Å
167	N	98.8	Very high	97.7	Very high	23 Å²	23	41.8 Å²	41.8	12%	0.123	22%	0.217	C	C	.	.	H	α-helix	trans	-66.5	-36.5	179.3	-168.1	63.2	0	0	0	112.3	G127 F129 E163 E164 V165 R170 Q171	G127-N167 PolarHBondContact O-ND2 2.93Å; F129-N167 WeakPolarHBondContact CD2-ND2 3.43Å; F129-N167 WeakPolarHBondContact CD2-O 3.5Å; F129-N167 WeakPolarHBondContact CD2-OD1 3.48Å; F129-N167 PolarHBondContact N-OD1 2.93Å; E163-N167 WeakPolarHBondContact O-CB 3.43Å; E163-N167 PolarHBondContact O-N 3.35Å; E164-N167 PolarHBondContact O-N 3.31Å; V165-N167 VanDerWaalsContact C-N 3.29Å; V165-N167 PolarHBondContact O-N 3.49Å; N167-R170 PolarHBondContact O-N 2.82Å; N167-Q171 PolarHBondContact O-N 2.88Å
168	D	98.9	Very high	97.9	Very high	29 Å²	29	39.2 Å²	39.2	16%	0.155	20%	0.199	C	C	.	.	H	α-helix	trans	-61.8	-44.7	171.5	-80.4	-5.4	0	0	0	111.9	E164 V165 R170 Q171 A172 I256 N257 R259	E164-D168 PolarHBondContact O-N 3.15Å; V165-D168 PolarHBondContact O-N 3.25Å; D168-R170 VanDerWaalsContact C-N 3.33Å; D168-R170 PolarHBondContact O-N 2.99Å; D168-Q171 PolarHBondContact O-N 2.89Å; D168-A172 PolarHBondContact O-N 3.5Å; D168-A172 VanDerWaalsContact O-N 3.11Å; D168-I256 HydrophobicContact CB-CB 4.09Å; D168-I256 HydrophobicContact CB-CG2 4Å; D168-I256 WeakPolarHBondContact OD1-CG2 3.32Å; D168-N257 PolarHBondContact OD2-ND2 3.18Å; D168-R259 HydrophobicContact CB-CB 4.04Å; D168-R259 HydrophobicContact CB-CG 3.73Å
169	F	98.9	Very high	98.2	Very high	5 Å²	5	36.4 Å²	36.4	2%	0.022	19%	0.186	C	C	.	.	H	α-helix	trans	-60.1	-42.8	172.9	-78.4	-74.8	0	0	0	111.7	V165 W166 Q171 A172 A173 R259 I260 I261 V360 L463 V472	V165-F169 HydrophobicContact CG1-CD2 4.14Å; V165-F169 HydrophobicContact CG1-CE2 3.81Å; V165-F169 VanDerWaalsContact O-CD2 3.22Å; V165-F169 WeakPolarHBondContact O-CD2 3.46Å; V165-F169 PolarHBondContact O-N 3.39Å; W166-F169 HydrophobicContact CE3-CD2 4.23Å; W166-F169 HydrophobicContact CE3-CE2 4.5Å; W166-F169 HydrophobicContact CZ3-CE2 4.48Å; W166-F169 WeakPolarHBondContact O-CB 3.49Å; W166-F169 PolarHBondContact O-N 2.96Å; F169-Q171 PolarHBondContact O-N 3.35Å; F169-A172 PolarHBondContact O-N 2.84Å; F169-A173 VanDerWaalsContact O-CB 3.29Å; F169-A173 WeakPolarHBondContact O-CB 3.38Å; F169-A173 PolarHBondContact O-N 2.91Å; F169-R259 HydrophobicContact CD1-CB 3.88Å; F169-R259 HydrophobicContact CD2-CB 3.91Å; F169-R259 HydrophobicContact CD2-CG 4.27Å; F169-R259 HydrophobicContact CE1-CB 3.82Å; F169-R259 HydrophobicContact CE2-CB 3.84Å; F169-R259 HydrophobicContact CE2-CG 4.05Å; F169-R259 HydrophobicContact CG-CB 3.91Å; F169-R259 HydrophobicContact CZ-CB 3.79Å; F169-R259 HydrophobicContact CZ-CG 4.33Å; F169-I260 WeakPolarHBondContact CD1-O 3.37Å; F169-I260 WeakPolarHBondContact CE1-O 3.4Å; F169-I261 HydrophobicContact CB-CD1 4.33Å; F169-I261 HydrophobicContact CD1-CD1 3.96Å; F169-V360 HydrophobicContact CE1-CG1 3.96Å; F169-V360 HydrophobicContact CE1-CG2 4.42Å; F169-V360 HydrophobicContact CE2-CG2 3.95Å; F169-V360 HydrophobicContact CZ-CB 4.31Å; F169-V360 HydrophobicContact CZ-CG1 4.04Å; F169-V360 HydrophobicContact CZ-CG2 3.69Å; F169-L463 HydrophobicContact CB-CD1 4.26Å; F169-L463 HydrophobicContact CB-CD2 4.28Å; F169-L463 HydrophobicContact CD1-CD2 4.08Å; F169-L463 HydrophobicContact CD2-CD2 3.77Å; F169-L463 HydrophobicContact CE1-CD2 4.33Å; F169-L463 HydrophobicContact CE2-CD2 4.05Å; F169-L463 HydrophobicContact CG-CD2 3.8Å; F169-L463 HydrophobicContact CZ-CD2 4.34Å; F169-V472 HydrophobicContact CB-CG2 4.13Å
170	R	98.9	Very high	98.3	Very high	3 Å²	3	36.2 Å²	36.2	1%	0.011	19%	0.185	C	C	.	.	H	α-helix	trans	-64.5	-38.4	179.2	-71.1	167.6	-170.7	155.4	5.7	112.4	F129 P130 E163 W166 N167 D168 A173 E174 E470 V472	F129-R170 HydrophobicContact CB-CB 3.74Å; P130-R170 WeakPolarHBondContact O-CB 3.5Å; P130-R170 WeakPolarHBondContact O-CG 3.05Å; E163-R170 IonicContact OE1-CZ 3.46Å; E163-R170 IonicContact OE1-NH1 3.42Å; E163-R170 PolarHBondContact OE1-NH1 3.45Å; E163-R170 IonicContact OE2-NH1 3.71Å; W166-R170 VanDerWaalsContact O-CG 3.27Å; W166-R170 WeakPolarHBondContact O-CG 3.37Å; W166-R170 PolarHBondContact O-N 3.17Å; N167-R170 PolarHBondContact O-N 2.82Å; D168-R170 VanDerWaalsContact C-N 3.33Å; D168-R170 PolarHBondContact O-N 2.99Å; R170-A173 PolarHBondContact O-N 3.04Å; R170-E174 WeakPolarHBondContact O-CB 3.34Å; R170-E174 PolarHBondContact O-N 3.1Å; R170-E470 IonicContact CZ-OE1 3.55Å; R170-E470 IonicContact CZ-OE2 2.94Å; R170-E470 IonicContact NE-OE1 2.71Å; R170-E470 PolarHBondContact NE-OE1 3.17Å; R170-E470 IonicContact NE-OE2 3.82Å; R170-E470 PolarHBondContact NE-OE2 3.03Å; R170-E470 IonicContact NH2-OE1 3.51Å; R170-E470 IonicContact NH2-OE2 3.26Å; R170-E470 PolarHBondContact NH2-OE2 3.15Å; R170-V472 HydrophobicContact CG-CG2 3.82Å
171	Q	98.9	Very high	98.5	Very high	21 Å²	21	34.2 Å²	34.2	10%	0.098	18%	0.176	C	C	.	.	H	α-helix	trans	-61.6	-49.2	173.2	-173.7	177	-24.5	0	0	111.3	I120 F129 N167 D168 F169 A173 E174 A175 I256	I120-Q171 HydrophobicContact CB-CG 4.38Å; I120-Q171 HydrophobicContact CG2-CG 4.09Å; F129-Q171 HydrophobicContact CD1-CB 4Å; F129-Q171 HydrophobicContact CD1-CG 4.04Å; F129-Q171 HydrophobicContact CD2-CB 3.53Å; F129-Q171 HydrophobicContact CD2-CG 4.21Å; F129-Q171 HydrophobicContact CE1-CB 4.07Å; F129-Q171 HydrophobicContact CE1-CG 3.69Å; F129-Q171 HydrophobicContact CE2-CB 3.61Å; F129-Q171 HydrophobicContact CE2-CG 3.88Å; F129-Q171 HydrophobicContact CG-CB 3.74Å; F129-Q171 HydrophobicContact CG-CG 4.29Å; F129-Q171 HydrophobicContact CZ-CB 3.88Å; F129-Q171 HydrophobicContact CZ-CG 3.61Å; N167-Q171 PolarHBondContact O-N 2.88Å; D168-Q171 PolarHBondContact O-N 2.89Å; F169-Q171 PolarHBondContact O-N 3.35Å; Q171-A173 VanDerWaalsContact C-N 3.28Å; Q171-A173 PolarHBondContact O-N 2.97Å; Q171-E174 PolarHBondContact O-N 2.81Å; Q171-A175 PolarHBondContact O-N 3.19Å; Q171-A175 VanDerWaalsContact O-N 3.1Å; Q171-I256 HydrophobicContact CB-CG1 4.05Å; Q171-I256 HydrophobicContact CG-CD1 4.35Å; Q171-I256 HydrophobicContact CG-CG1 4Å
172	A	98.9	Very high	98.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61.2	-39.6	178	0	0	0	0	0	111.4	D168 F169 A175 H176 I208 T254 I256 I261	D168-A172 PolarHBondContact O-N 3.5Å; D168-A172 VanDerWaalsContact O-N 3.11Å; F169-A172 PolarHBondContact O-N 2.84Å; A172-A175 WeakPolarHBondContact O-CB 3.31Å; A172-A175 PolarHBondContact O-N 3.1Å; A172-H176 PolarHBondContact O-N 3.11Å; A172-I208 HydrophobicContact CB-CD1 4.27Å; A172-T254 PolarHBondContact O-OG1 3.47Å; A172-I256 HydrophobicContact CB-CG1 4.43Å; A172-I261 HydrophobicContact CB-CB 4.36Å; A172-I261 HydrophobicContact CB-CG1 3.64Å
173	A	98.9	Very high	98.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-69.3	-37.9	-179.1	0	0	0	0	0	112	F169 R170 Q171 A175 H176 R177 I261 V472	F169-A173 VanDerWaalsContact O-CB 3.29Å; F169-A173 WeakPolarHBondContact O-CB 3.38Å; F169-A173 PolarHBondContact O-N 2.91Å; R170-A173 PolarHBondContact O-N 3.04Å; Q171-A173 VanDerWaalsContact C-N 3.28Å; Q171-A173 PolarHBondContact O-N 2.97Å; A173-A175 VanDerWaalsContact C-N 3.34Å; A173-H176 WeakPolarHBondContact O-CB 3.35Å; A173-H176 PolarHBondContact O-N 3.18Å; A173-R177 WeakPolarHBondContact O-CG 3.48Å; A173-R177 PolarHBondContact O-N 2.86Å; A173-I261 HydrophobicContact CB-CD1 3.86Å; A173-I261 HydrophobicContact CB-CG1 3.92Å; A173-V472 HydrophobicContact CB-CG2 3.96Å; A173-V472 VanDerWaalsContact CB-O 3.27Å; A173-V472 WeakPolarHBondContact CB-O 3.35Å
174	E	98.9	Very high	98.6	Very high	23 Å²	23	29.6 Å²	29.6	11%	0.107	13%	0.134	C	C	.	.	H	α-helix	trans	-66.3	-37.9	174.8	-176.1	56.4	-152.5	0	0	111.7	I120 Y124 R170 Q171 R177 Q178	I120-E174 HydrophobicContact CD1-CG 4.08Å; I120-E174 HydrophobicContact CG1-CG 4.4Å; I120-E174 HydrophobicContact CG2-CB 3.92Å; I120-E174 HydrophobicContact CG2-CG 3.77Å; Y124-E174 HydrophobicContact CE2-CG 4.07Å; R170-E174 WeakPolarHBondContact O-CB 3.34Å; R170-E174 PolarHBondContact O-N 3.1Å; Q171-E174 PolarHBondContact O-N 2.81Å; E174-R177 PolarHBondContact O-N 3.04Å; E174-R177 IonicContact OE2-CZ 3.57Å; E174-R177 VanDerWaalsContact OE2-CZ 3.24Å; E174-R177 IonicContact OE2-NE 3.33Å; E174-R177 PolarHBondContact OE2-NE 2.97Å; E174-R177 IonicContact OE2-NH2 2.86Å; E174-R177 PolarHBondContact OE2-NH2 2.86Å; E174-Q178 WeakPolarHBondContact O-CG 3.2Å; E174-Q178 PolarHBondContact O-N 3.21Å; E174-Q178 VanDerWaalsContact O-N 3.09Å; E174-Q178 PolarHBondContact OE1-NE2 3.14Å
175	A	98.9	Very high	98.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-61	-47.7	171.2	0	0	0	0	0	110.3	I120 Q171 A172 A173 R177 Q178 V179 L207 I208 T254	I120-A175 HydrophobicContact CG1-CB 3.74Å; Q171-A175 PolarHBondContact O-N 3.19Å; Q171-A175 VanDerWaalsContact O-N 3.1Å; A172-A175 WeakPolarHBondContact O-CB 3.31Å; A172-A175 PolarHBondContact O-N 3.1Å; A173-A175 VanDerWaalsContact C-N 3.34Å; A175-R177 PolarHBondContact O-N 3.49Å; A175-Q178 PolarHBondContact O-N 3.26Å; A175-V179 VanDerWaalsContact O-CG2 3.23Å; A175-V179 WeakPolarHBondContact O-CG2 3.39Å; A175-V179 PolarHBondContact O-N 3.15Å; A175-L207 HydrophobicContact CB-CB 4.3Å; A175-I208 HydrophobicContact CB-CB 4.47Å; A175-I208 HydrophobicContact CB-CD1 3.81Å; A175-T254 HydrophobicContact CB-CG2 4.36Å
176	H	98.9	Very high	98.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-57.4	-48	178.1	-171.1	-78.1	0	0	0	112.3	A172 A173 Q178 V179 R180 F252 I261 C263	A172-H176 PolarHBondContact O-N 3.11Å; A173-H176 WeakPolarHBondContact O-CB 3.35Å; A173-H176 PolarHBondContact O-N 3.18Å; H176-Q178 PolarHBondContact O-N 3.09Å; H176-V179 PolarHBondContact O-N 2.83Å; H176-R180 PolarHBondContact ND1-NH1 3.26Å; H176-R180 VanDerWaalsContact ND1-NH1 3.17Å; H176-R180 WeakPolarHBondContact O-CG 3.49Å; H176-R180 PolarHBondContact O-N 3.05Å; H176-F252 AromaticContact CD2-CD2 3.77Å; H176-F252 AromaticContact CD2-CE1 3.87Å; H176-F252 AromaticContact CD2-CE2 3.31Å; H176-F252 WeakPolarHBondContact CD2-CE2 3.46Å; H176-F252 AromaticContact CD2-CZ 3.37Å; H176-F252 WeakPolarHBondContact CD2-CZ 3.37Å; H176-F252 PolarHBondContact CD2-O 2.98Å; H176-F252 AromaticContact CE1-CE1 3.64Å; H176-F252 AromaticContact CE1-CZ 3.65Å; H176-F252 AromaticContact CG-CE2 3.97Å; H176-F252 AromaticContact CG-CZ 3.82Å; H176-F252 AromaticContact ND1-CZ 3.99Å; H176-F252 AromaticContact NE2-CD1 3.6Å; H176-F252 AromaticContact NE2-CD2 3.94Å; H176-F252 AromaticContact NE2-CE1 3.22Å; H176-F252 WeakPolarHBondContact NE2-CE1 3.32Å; H176-F252 AromaticContact NE2-CE2 3.6Å; H176-F252 AromaticContact NE2-CG 3.95Å; H176-F252 AromaticContact NE2-CZ 3.22Å; H176-F252 WeakPolarHBondContact NE2-CZ 3.49Å; H176-F252 PolarHBondContact NE2-O 3.21Å; H176-F252 VanDerWaalsContact NE2-O 3.07Å; H176-I261 HydrophobicContact CB-CG2 4.07Å; H176-C263 VanDerWaalsContact CE1-CB 3.42Å; H176-C263 WeakPolarHBondContact CE1-CB 3.28Å; H176-C263 PolarHBondContact CE1-O 3.18Å; H176-C263 PolarHBondContact NE2-O 2.95Å
177	R	98.9	Very high	98.3	Very high	34 Å²	34	25.6 Å²	25.6	13%	0.128	12%	0.123	C	C	.	.	H	α-helix	trans	-55.4	-48.2	175.6	-80.3	-171.1	-73.5	-87.2	-1.1	112.7	A173 E174 A175 R180 K181 V472 R474	A173-R177 WeakPolarHBondContact O-CG 3.48Å; A173-R177 PolarHBondContact O-N 2.86Å; E174-R177 PolarHBondContact O-N 3.04Å; E174-R177 IonicContact OE2-CZ 3.57Å; E174-R177 VanDerWaalsContact OE2-CZ 3.24Å; E174-R177 IonicContact OE2-NE 3.33Å; E174-R177 PolarHBondContact OE2-NE 2.97Å; E174-R177 IonicContact OE2-NH2 2.86Å; E174-R177 PolarHBondContact OE2-NH2 2.86Å; A175-R177 PolarHBondContact O-N 3.49Å; R177-R180 WeakPolarHBondContact O-CG 3.44Å; R177-K181 VanDerWaalsContact O-CB 3.3Å; R177-K181 WeakPolarHBondContact O-CB 3.31Å; R177-K181 PolarHBondContact O-N 3.5Å; R177-K181 VanDerWaalsContact O-N 3.11Å; R177-V472 PolarHBondContact NH1-O 3.49Å; R177-R474 WeakPolarHBondContact CD-O 3.18Å; R177-R474 PolarHBondContact NH1-O 3.39Å; R177-R474 VanDerWaalsContact NH1-O 3.17Å
178	Q	98.9	Very high	98.3	Very high	30 Å²	30	30.4 Å²	30.4	14%	0.14	14%	0.143	C	C	.	.	H	α-helix	trans	-71.1	-37.1	-178.6	-68	-171.2	28.6	0	0	112.4	I120 E174 A175 H176 H182 L207	I120-Q178 HydrophobicContact CD1-CG 4.39Å; E174-Q178 WeakPolarHBondContact O-CG 3.2Å; E174-Q178 PolarHBondContact O-N 3.21Å; E174-Q178 VanDerWaalsContact O-N 3.09Å; E174-Q178 PolarHBondContact OE1-NE2 3.14Å; A175-Q178 PolarHBondContact O-N 3.26Å; H176-Q178 PolarHBondContact O-N 3.09Å; Q178-H182 PolarHBondContact O-N 3.06Å; Q178-H182 VanDerWaalsContact O-N 3.13Å; Q178-L207 HydrophobicContact CB-CD1 3.53Å
179	V	98.9	Very high	98.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.1	-53.2	174.5	174	0	0	0	0	110.5	A175 H176 K181 H182 V183 L200 L207 F252	A175-V179 VanDerWaalsContact O-CG2 3.23Å; A175-V179 WeakPolarHBondContact O-CG2 3.39Å; A175-V179 PolarHBondContact O-N 3.15Å; H176-V179 PolarHBondContact O-N 2.83Å; V179-K181 VanDerWaalsContact C-N 3.29Å; V179-K181 PolarHBondContact O-N 2.9Å; V179-H182 CarbonylContact O-C 3.48Å; V179-H182 WeakPolarHBondContact O-CA 3Å; V179-H182 WeakPolarHBondContact O-CB 3.4Å; V179-H182 PolarHBondContact O-N 2.94Å; V179-V183 HydrophobicContact CG1-CG2 4.18Å; V179-V183 WeakPolarHBondContact O-CG2 3.22Å; V179-V183 PolarHBondContact O-N 3.19Å; V179-L200 HydrophobicContact CG1-CD2 3.96Å; V179-L200 HydrophobicContact CG1-CG 3.87Å; V179-L207 HydrophobicContact CG2-CD1 3.97Å; V179-L207 HydrophobicContact CG2-CG 4.45Å; V179-F252 HydrophobicContact CB-CE2 3.83Å; V179-F252 HydrophobicContact CB-CZ 3.82Å; V179-F252 HydrophobicContact CG1-CD2 4.45Å; V179-F252 HydrophobicContact CG1-CE1 4.48Å; V179-F252 HydrophobicContact CG1-CE2 3.57Å; V179-F252 HydrophobicContact CG1-CZ 3.59Å
180	R	98.8	Very high	98.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-64.4	-34.5	-176.2	74.4	-169.8	-171.4	-145	-1.5	112.7	H176 R177 H182 V183 R184 F252 C263 F265 S473 G475 D477 Y478	H176-R180 PolarHBondContact ND1-NH1 3.26Å; H176-R180 VanDerWaalsContact ND1-NH1 3.17Å; H176-R180 WeakPolarHBondContact O-CG 3.49Å; H176-R180 PolarHBondContact O-N 3.05Å; R177-R180 WeakPolarHBondContact O-CG 3.44Å; R180-H182 VanDerWaalsContact C-N 3.32Å; R180-H182 PolarHBondContact O-N 3.31Å; R180-V183 PolarHBondContact O-N 3.07Å; R180-R184 WeakPolarHBondContact O-CG 3.38Å; R180-R184 PolarHBondContact O-N 3.46Å; R180-F252 HydrophobicContact CB-CE1 3.97Å; R180-F252 HydrophobicContact CB-CZ 3.99Å; R180-C263 PolarHBondContact NH1-SG 2.87Å; R180-F265 HydrophobicContact CB-CD1 4.38Å; R180-F265 HydrophobicContact CB-CE1 3.62Å; R180-F265 HydrophobicContact CB-CZ 4.13Å; R180-S473 PolarHBondContact NH1-O 3.35Å; R180-S473 PolarHBondContact NH2-O 2.94Å; R180-G475 VanDerWaalsContact NH2-CA 3.35Å; R180-G475 VanDerWaalsContact NH2-N 3.19Å; R180-D477 WeakPolarHBondContact CD-OD2 3.45Å; R180-D477 WeakPolarHBondContact CG-OD2 3.41Å; R180-D477 IonicContact CZ-OD1 3.34Å; R180-D477 IonicContact CZ-OD2 2.82Å; R180-D477 IonicContact NE-OD1 3.77Å; R180-D477 PolarHBondContact NE-OD1 2.99Å; R180-D477 IonicContact NE-OD2 3.24Å; R180-D477 PolarHBondContact NE-OD2 3.4Å; R180-D477 IonicContact NH2-OD1 2.82Å; R180-D477 PolarHBondContact NH2-OD1 3.34Å; R180-D477 IonicContact NH2-OD2 3.22Å; R180-Y478 WeakPolarHBondContact CD-OH 3.25Å
181	K	98.6	Very high	98.2	Very high	125 Å²	125	35.1 Å²	35.1	54%	0.543	18%	0.184	S	C	.	.	H	α-helix	trans	-61.2	-40.7	171.1	-175.6	168.8	-172.8	155.9	0	111.9	R177 V179 D476	R177-K181 VanDerWaalsContact O-CB 3.3Å; R177-K181 WeakPolarHBondContact O-CB 3.31Å; R177-K181 PolarHBondContact O-N 3.5Å; R177-K181 VanDerWaalsContact O-N 3.11Å; V179-K181 VanDerWaalsContact C-N 3.29Å; V179-K181 PolarHBondContact O-N 2.9Å; K181-D476 IonicContact NZ-OD2 3.29Å; K181-D476 PolarHBondContact NZ-OD2 3.03Å
182	H	98.2	Very high	98.2	Very high	16 Å²	16	35.9 Å²	35.9	7%	0.074	19%	0.19	C	C	.	.	H	α-helix	trans	-67.6	-42.5	174	-174	59.6	0	0	0	112.2	P116 Q178 V179 R180 R184 S185 F186 R199	P116-H182 WeakPolarHBondContact CD-ND1 3.29Å; P116-H182 HydrophobicContact CG-CB 3.99Å; Q178-H182 PolarHBondContact O-N 3.06Å; Q178-H182 VanDerWaalsContact O-N 3.13Å; V179-H182 CarbonylContact O-C 3.48Å; V179-H182 WeakPolarHBondContact O-CA 3Å; V179-H182 WeakPolarHBondContact O-CB 3.4Å; V179-H182 PolarHBondContact O-N 2.94Å; R180-H182 VanDerWaalsContact C-N 3.32Å; R180-H182 PolarHBondContact O-N 3.31Å; H182-R184 VanDerWaalsContact C-N 3.32Å; H182-R184 PolarHBondContact O-N 3.06Å; H182-S185 PolarHBondContact O-N 3.38Å; H182-S185 PolarHBondContact O-OG 3.41Å; H182-F186 AromaticContact CD2-CD1 3.85Å; H182-F186 AromaticContact CD2-CE1 3.63Å; H182-F186 AromaticContact NE2-CD1 3.72Å; H182-F186 AromaticContact NE2-CE1 3.84Å; H182-F186 WeakPolarHBondContact O-CD1 3.42Å; H182-R199 PolarHBondContact NE2-NH2 2.87Å
183	V	97.6	Very high	98.2	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.006	19%	0.19	C	C	.	.	H	α-helix	trans	-55.6	-48.8	177.7	173.6	0	0	0	0	110.8	V179 R180 S185 F186 L187 L200 F265	V179-V183 HydrophobicContact CG1-CG2 4.18Å; V179-V183 WeakPolarHBondContact O-CG2 3.22Å; V179-V183 PolarHBondContact O-N 3.19Å; R180-V183 PolarHBondContact O-N 3.07Å; V183-S185 PolarHBondContact O-N 3.02Å; V183-S185 VanDerWaalsContact O-N 3.11Å; V183-F186 VanDerWaalsContact CA-CE1 3.48Å; V183-F186 HydrophobicContact CB-CE1 4.39Å; V183-F186 HydrophobicContact CB-CZ 4.49Å; V183-F186 HydrophobicContact CG2-CE1 4.27Å; V183-F186 HydrophobicContact CG2-CZ 4.29Å; V183-F186 PolarHBondContact O-N 3.36Å; V183-F186 VanDerWaalsContact O-N 3.16Å; V183-L187 HydrophobicContact CG1-CB 4.48Å; V183-L187 HydrophobicContact CG1-CD1 4.15Å; V183-L187 WeakPolarHBondContact O-CB 3.02Å; V183-L187 PolarHBondContact O-N 2.93Å; V183-L200 HydrophobicContact CB-CD1 4.48Å; V183-L200 HydrophobicContact CG1-CD1 4.29Å; V183-L200 HydrophobicContact CG2-CB 3.97Å; V183-L200 HydrophobicContact CG2-CD1 3.44Å; V183-L200 VanDerWaalsContact CG2-CD1 3.44Å; V183-L200 HydrophobicContact CG2-CG 3.52Å; V183-F265 HydrophobicContact CG1-CZ 4.31Å
184	R	96.1	Very high	98.2	Very high	108 Å²	108	37.4 Å²	37.4	41%	0.408	20%	0.197	S	C	.	.	H	α-helix	trans	-58.7	-24.2	177.5	-72.4	-178.7	175.8	-139.3	4.4	113.9	R180 H182 F265	R180-R184 WeakPolarHBondContact O-CG 3.38Å; R180-R184 PolarHBondContact O-N 3.46Å; H182-R184 VanDerWaalsContact C-N 3.32Å; H182-R184 PolarHBondContact O-N 3.06Å; R184-F265 HydrophobicContact CG-CE2 3.77Å; R184-F265 HydrophobicContact CG-CZ 4.18Å
185	S	96.3	Very high	98.2	Very high	87 Å²	87	40.9 Å²	40.9	61%	0.608	21%	0.214	S	C	*	.	H	α-helix	trans	-81	-19.6	-179.3	82.3	0	0	0	0	114.1	H182 V183	H182-S185 PolarHBondContact O-N 3.38Å; H182-S185 PolarHBondContact O-OG 3.41Å; V183-S185 PolarHBondContact O-N 3.02Å; V183-S185 VanDerWaalsContact O-N 3.11Å
186	F	96.8	Very high	98.2	Very high	18 Å²	18	40.9 Å²	40.9	8%	0.079	21%	0.214	C	C	.	.	H	α-helix	trans	-120.7	-18.9	-178.7	74.5	-104.9	0	0	0	115	H182 V183 K188 L191 R199	H182-F186 AromaticContact CD2-CD1 3.85Å; H182-F186 AromaticContact CD2-CE1 3.63Å; H182-F186 AromaticContact NE2-CD1 3.72Å; H182-F186 AromaticContact NE2-CE1 3.84Å; H182-F186 WeakPolarHBondContact O-CD1 3.42Å; V183-F186 VanDerWaalsContact CA-CE1 3.48Å; V183-F186 HydrophobicContact CB-CE1 4.39Å; V183-F186 HydrophobicContact CB-CZ 4.49Å; V183-F186 HydrophobicContact CG2-CE1 4.27Å; V183-F186 HydrophobicContact CG2-CZ 4.29Å; V183-F186 PolarHBondContact O-N 3.36Å; V183-F186 VanDerWaalsContact O-N 3.16Å; F186-K188 PolarHBondContact O-N 3.45Å; F186-L191 HydrophobicContact CD2-CD1 4.18Å; F186-R199 VanDerWaalsContact CB-CZ 3.5Å; F186-R199 VanDerWaalsContact CB-NH1 3.31Å; F186-R199 HydrophobicContact CE1-CG 3.91Å; F186-R199 HydrophobicContact CE2-CB 4.35Å; F186-R199 HydrophobicContact CE2-CG 4.18Å; F186-R199 VanDerWaalsContact CG-NH1 3.34Å; F186-R199 HydrophobicContact CZ-CB 4.03Å; F186-R199 HydrophobicContact CZ-CG 3.69Å
187	L	96.9	Very high	98.2	Very high	14 Å²	14	40.9 Å²	40.9	7%	0.073	21%	0.214	C	C	.	.			trans	-60.2	122.8	-179.5	-157.1	88.2	0	0	0	109.4	V183 I196 L242 V267 F269	V183-L187 HydrophobicContact CG1-CB 4.48Å; V183-L187 HydrophobicContact CG1-CD1 4.15Å; V183-L187 WeakPolarHBondContact O-CB 3.02Å; V183-L187 PolarHBondContact O-N 2.93Å; L187-I196 HydrophobicContact CD1-CB 4.29Å; L187-I196 HydrophobicContact CD1-CD1 3.9Å; L187-I196 HydrophobicContact CD1-CG1 3.86Å; L187-I196 HydrophobicContact CD1-CG2 3.44Å; L187-I196 VanDerWaalsContact CD1-CG2 3.44Å; L187-L242 HydrophobicContact CD1-CD2 4.38Å; L187-L242 HydrophobicContact CD2-CD2 4.07Å; L187-L242 HydrophobicContact CG-CD2 3.93Å; L187-V267 HydrophobicContact CD2-CB 3.72Å; L187-V267 HydrophobicContact CD2-CG1 3.47Å; L187-V267 VanDerWaalsContact CD2-CG1 3.47Å; L187-V267 HydrophobicContact CD2-CG2 3.86Å; L187-F269 HydrophobicContact CD2-CZ 4.09Å; L187-F269 HydrophobicContact CG-CZ 4.29Å; L187-F269 WeakPolarHBondContact O-CE1 3.42Å
188	K	97.6	Very high	98.2	Very high	125 Å²	125	44 Å²	44	54%	0.543	23%	0.23	S	C	.	.			trans	-155.2	155.1	-179.8	64.7	-173.9	179.6	-174.4	0	110.5	F186 L191	F186-K188 PolarHBondContact O-N 3.45Å; K188-L191 HydrophobicContact CG-CD1 4.15Å; K188-L191 HydrophobicContact CG-CG 4.17Å
189	P	98.7	Very high	98.2	Very high	47 Å²	47	47.9 Å²	47.9	31%	0.305	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	148.2	171.4	-24.9	36.1	0	0	0	111.9	L242 Y244 F269	P189-L242 CarbonylContact C-O 3.48Å; P189-L242 WeakPolarHBondContact CA-O 3.34Å; P189-Y244 HydrophobicContact CG-CD2 4.47Å; P189-F269 HydrophobicContact CG-CB 4.33Å; P189-F269 HydrophobicContact CG-CD1 4.3Å; P189-F269 HydrophobicContact CG-CD2 3.5Å; P189-F269 VanDerWaalsContact CG-CD2 3.5Å; P189-F269 HydrophobicContact CG-CE2 3.79Å; P189-F269 HydrophobicContact CG-CG 3.77Å; P189-F269 HydrophobicContact CG-CZ 4.31Å
190	G	98.6	Very high	98.2	Very high	55 Å²	55	48 Å²	48	57%	0.567	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	95.6	-10.6	-178.6	0	0	0	0	0	114.8	V241 L242	G190-V241 VanDerWaalsContact CA-CG1 3.47Å; G190-L242 PolarHBondContact N-O 2.9Å
191	L	98.6	Very high	98.2	Very high	34 Å²	34	48.1 Å²	48.1	18%	0.178	24%	0.244	C	C	.	.			trans	-80.8	141	169	-63.3	177.5	0	0	0	110.3	F186 K188 I196 V241 L242	F186-L191 HydrophobicContact CD2-CD1 4.18Å; K188-L191 HydrophobicContact CG-CD1 4.15Å; K188-L191 HydrophobicContact CG-CG 4.17Å; L191-I196 HydrophobicContact CB-CD1 3.96Å; L191-I196 HydrophobicContact CB-CG1 3.84Å; L191-I196 HydrophobicContact CD1-CG1 4.1Å; L191-V241 WeakPolarHBondContact O-CA 3.32Å; L191-L242 PolarHBondContact O-N 3.32Å
192	T	98.8	Very high	98.2	Very high	36 Å²	36	45.8 Å²	45.8	22%	0.221	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-69.3	152.1	168.7	62.6	0	0	0	0	110.5	I194 E195 I196 T240 V241	T192-I194 PolarHBondContact O-N 3.46Å; T192-E195 PolarHBondContact N-OE2 3.27Å; T192-E195 PolarHBondContact O-N 2.9Å; T192-E195 WeakPolarHBondContact OG1-CB 3.37Å; T192-E195 VanDerWaalsContact OG1-CD 3.23Å; T192-E195 WeakPolarHBondContact OG1-CG 3.2Å; T192-E195 PolarHBondContact OG1-N 2.83Å; T192-E195 VanDerWaalsContact OG1-N 3.16Å; T192-E195 PolarHBondContact OG1-OE2 2.92Å; T192-I196 WeakPolarHBondContact O-CG1 3.32Å; T192-I196 PolarHBondContact O-N 2.86Å; T192-I196 VanDerWaalsContact O-N 3.14Å; T192-T240 CarbonylContact C-O 3.56Å; T192-T240 VanDerWaalsContact CA-O 3.27Å; T192-T240 WeakPolarHBondContact CA-O 3.35Å; T192-V241 HydrophobicContact CG2-CG2 4.01Å
193	M	98.8	Very high	98.2	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-61.8	-31.2	176.3	-56.7	-45.9	-64	0	0	111.6	I196 C197 C223 L225 Y232 P234 T240 L242	M193-I196 HydrophobicContact CE-CD1 4.23Å; M193-I196 PolarHBondContact O-N 2.98Å; M193-I196 HydrophobicContact SD-CD1 4.04Å; M193-C197 PolarHBondContact O-N 3.29Å; M193-C197 PolarHBondContact O-SG 2.94Å; M193-C223 HydrophobicContact CE-CB 3.46Å; M193-C223 VanDerWaalsContact CE-CB 3.46Å; M193-C223 WeakPolarHBondContact CE-O 3.07Å; M193-C223 WeakPolarHBondContact CE-SG 3.48Å; M193-L225 HydrophobicContact CE-CD1 4.38Å; M193-L225 HydrophobicContact CE-CD2 3.91Å; M193-L225 HydrophobicContact CE-CG 4.3Å; M193-L225 HydrophobicContact CG-CD1 4.37Å; M193-L225 HydrophobicContact SD-CD1 4Å; M193-L225 HydrophobicContact SD-CD2 4.33Å; M193-Y232 HydrophobicContact CG-CE1 4.26Å; M193-P234 HydrophobicContact CB-CB 4.27Å; M193-P234 HydrophobicContact CB-CG 3.96Å; M193-T240 HydrophobicContact CG-CG2 3.72Å; M193-T240 PolarHBondContact N-O 3.1Å; M193-L242 HydrophobicContact SD-CB 3.97Å
194	I	98.8	Very high	98.3	Very high	31 Å²	31	45.4 Å²	45.4	16%	0.159	24%	0.237	C	C	.	.	H	α-helix	trans	-63.4	-52.2	175	-66.3	176.7	0	0	0	110.4	T192 I196 C197 E198 P234 D238	T192-I194 PolarHBondContact O-N 3.46Å; I194-I196 PolarHBondContact O-N 3.28Å; I194-C197 PolarHBondContact O-N 2.89Å; I194-E198 HydrophobicContact CG2-CG 4.09Å; I194-E198 WeakPolarHBondContact O-CB 3.48Å; I194-E198 WeakPolarHBondContact O-CG 3.35Å; I194-E198 PolarHBondContact O-N 3.11Å; I194-P234 HydrophobicContact CB-CG 4.44Å; I194-P234 HydrophobicContact CG1-CB 3.64Å; I194-P234 HydrophobicContact CG1-CG 3.72Å; I194-D238 HydrophobicContact CD1-CB 4.28Å; I194-D238 WeakPolarHBondContact CD1-O 3.44Å
195	E	98.8	Very high	98.4	Very high	97 Å²	97	41.2 Å²	41.2	45%	0.453	22%	0.221	S	C	.	.	H	α-helix	trans	-57.7	-38.7	179.1	-74.7	164.8	143.1	0	0	112.1	T192 R199	T192-E195 PolarHBondContact N-OE2 3.27Å; T192-E195 PolarHBondContact O-N 2.9Å; T192-E195 WeakPolarHBondContact OG1-CB 3.37Å; T192-E195 VanDerWaalsContact OG1-CD 3.23Å; T192-E195 WeakPolarHBondContact OG1-CG 3.2Å; T192-E195 PolarHBondContact OG1-N 2.83Å; T192-E195 VanDerWaalsContact OG1-N 3.16Å; T192-E195 PolarHBondContact OG1-OE2 2.92Å; E195-R199 WeakPolarHBondContact O-CB 3.43Å; E195-R199 PolarHBondContact O-N 3.49Å; E195-R199 VanDerWaalsContact O-N 3.11Å
196	I	98.8	Very high	98.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-63	-53.4	176.6	-67.8	163.6	0	0	0	110.4	L187 L191 T192 M193 I194 L200 L242 I250	L187-I196 HydrophobicContact CD1-CB 4.29Å; L187-I196 HydrophobicContact CD1-CD1 3.9Å; L187-I196 HydrophobicContact CD1-CG1 3.86Å; L187-I196 HydrophobicContact CD1-CG2 3.44Å; L187-I196 VanDerWaalsContact CD1-CG2 3.44Å; L191-I196 HydrophobicContact CB-CD1 3.96Å; L191-I196 HydrophobicContact CB-CG1 3.84Å; L191-I196 HydrophobicContact CD1-CG1 4.1Å; T192-I196 WeakPolarHBondContact O-CG1 3.32Å; T192-I196 PolarHBondContact O-N 2.86Å; T192-I196 VanDerWaalsContact O-N 3.14Å; M193-I196 HydrophobicContact CE-CD1 4.23Å; M193-I196 PolarHBondContact O-N 2.98Å; M193-I196 HydrophobicContact SD-CD1 4.04Å; I194-I196 PolarHBondContact O-N 3.28Å; I196-L200 WeakPolarHBondContact O-CB 3.39Å; I196-L200 PolarHBondContact O-N 3.29Å; I196-L242 HydrophobicContact CD1-CB 4Å; I196-L242 HydrophobicContact CD1-CD2 3.78Å; I196-I250 HydrophobicContact CG2-CD1 4.42Å
197	C	98.9	Very high	98.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.7	-47.3	-177.7	-65	0	0	0	0	111.5	M193 I194 R199 L200 E201 T221 C223	M193-C197 PolarHBondContact O-N 3.29Å; M193-C197 PolarHBondContact O-SG 2.94Å; I194-C197 PolarHBondContact O-N 2.89Å; C197-R199 PolarHBondContact O-N 3.47Å; C197-L200 PolarHBondContact O-N 2.6Å; C197-E201 WeakPolarHBondContact O-CB 3.32Å; C197-E201 WeakPolarHBondContact O-CG 3.48Å; C197-E201 PolarHBondContact O-N 3.32Å; C197-T221 HydrophobicContact CB-CG2 4.48Å; C197-C223 VanDerWaalsContact SG-SG 3.65Å
198	E	98.9	Very high	98.8	Very high	98 Å²	98	41 Å²	41	46%	0.458	21%	0.208	S	C	.	.	H	α-helix	trans	-61.2	-44.8	-179.2	-71.3	-177.2	166	0	0	111.7	I194 L200 E201 D202	I194-E198 HydrophobicContact CG2-CG 4.09Å; I194-E198 WeakPolarHBondContact O-CB 3.48Å; I194-E198 WeakPolarHBondContact O-CG 3.35Å; I194-E198 PolarHBondContact O-N 3.11Å; E198-L200 PolarHBondContact O-N 2.94Å; E198-E201 PolarHBondContact O-N 3.08Å; E198-D202 VanDerWaalsContact O-CB 3.27Å; E198-D202 WeakPolarHBondContact O-CB 3.13Å; E198-D202 VanDerWaalsContact O-CG 3.3Å; E198-D202 PolarHBondContact O-N 2.67Å
199	R	98.6	Very high	98.8	Very high	113 Å²	113	40.4 Å²	40.4	43%	0.426	21%	0.206	S	C	.	.	H	α-helix	trans	-65.7	-39.3	178.2	-175.6	172.1	172.4	-177.7	-3.4	112.7	H182 F186 E195 C197 C203	H182-R199 PolarHBondContact NE2-NH2 2.87Å; F186-R199 VanDerWaalsContact CB-CZ 3.5Å; F186-R199 VanDerWaalsContact CB-NH1 3.31Å; F186-R199 HydrophobicContact CE1-CG 3.91Å; F186-R199 HydrophobicContact CE2-CB 4.35Å; F186-R199 HydrophobicContact CE2-CG 4.18Å; F186-R199 VanDerWaalsContact CG-NH1 3.34Å; F186-R199 HydrophobicContact CZ-CB 4.03Å; F186-R199 HydrophobicContact CZ-CG 3.69Å; E195-R199 WeakPolarHBondContact O-CB 3.43Å; E195-R199 PolarHBondContact O-N 3.49Å; E195-R199 VanDerWaalsContact O-N 3.11Å; C197-R199 PolarHBondContact O-N 3.47Å; R199-C203 PolarHBondContact O-N 2.77Å
200	L	98.9	Very high	98.8	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-63.9	-52.7	175.5	-176.4	160.9	0	0	0	110.5	V179 V183 I196 C197 E198 D202 C203 S204 T221 I250 F252	V179-L200 HydrophobicContact CG1-CD2 3.96Å; V179-L200 HydrophobicContact CG1-CG 3.87Å; V183-L200 HydrophobicContact CB-CD1 4.48Å; V183-L200 HydrophobicContact CG1-CD1 4.29Å; V183-L200 HydrophobicContact CG2-CB 3.97Å; V183-L200 HydrophobicContact CG2-CD1 3.44Å; V183-L200 VanDerWaalsContact CG2-CD1 3.44Å; V183-L200 HydrophobicContact CG2-CG 3.52Å; I196-L200 WeakPolarHBondContact O-CB 3.39Å; I196-L200 PolarHBondContact O-N 3.29Å; C197-L200 PolarHBondContact O-N 2.6Å; E198-L200 PolarHBondContact O-N 2.94Å; L200-D202 VanDerWaalsContact C-N 3.33Å; L200-D202 PolarHBondContact O-N 3.24Å; L200-C203 WeakPolarHBondContact O-CB 3.5Å; L200-C203 PolarHBondContact O-N 2.92Å; L200-S204 PolarHBondContact O-N 3.14Å; L200-T221 HydrophobicContact CD1-CG2 3.77Å; L200-T221 HydrophobicContact CD2-CG2 4.18Å; L200-T221 HydrophobicContact CG-CG2 4.43Å; L200-I250 HydrophobicContact CD1-CG2 3.75Å; L200-F252 HydrophobicContact CD1-CD1 4.04Å; L200-F252 HydrophobicContact CD1-CE1 4.34Å; L200-F252 HydrophobicContact CD1-CG 4.36Å; L200-F252 HydrophobicContact CD2-CB 4.15Å; L200-F252 HydrophobicContact CD2-CD1 4.29Å; L200-F252 HydrophobicContact CD2-CD2 3.82Å; L200-F252 HydrophobicContact CD2-CE2 4.27Å; L200-F252 HydrophobicContact CD2-CG 3.82Å
201	E	98.9	Very high	98.8	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.019	21%	0.208	C	C	.	.	H	α-helix	trans	-64.4	-36.4	-177.1	-66.5	172.2	-160.4	0	0	111.8	C197 E198 S204 R205 L217 T221 R418 W419	C197-E201 WeakPolarHBondContact O-CB 3.32Å; C197-E201 WeakPolarHBondContact O-CG 3.48Å; C197-E201 PolarHBondContact O-N 3.32Å; E198-E201 PolarHBondContact O-N 3.08Å; E201-S204 PolarHBondContact O-N 2.85Å; E201-R205 WeakPolarHBondContact O-CB 3.21Å; E201-R205 VanDerWaalsContact O-CG 3.29Å; E201-R205 WeakPolarHBondContact O-CG 3.47Å; E201-R205 PolarHBondContact O-N 2.88Å; E201-R205 IonicContact OE2-CZ 2.79Å; E201-R205 IonicContact OE2-NH1 2.79Å; E201-R205 PolarHBondContact OE2-NH1 3.24Å; E201-R205 IonicContact OE2-NH2 3.75Å; E201-R205 PolarHBondContact OE2-NH2 3.31Å; E201-L217 HydrophobicContact CB-CD1 3.92Å; E201-L217 HydrophobicContact CG-CD1 3.95Å; E201-T221 WeakPolarHBondContact CG-OG1 3.43Å; E201-R418 IonicContact OE1-CZ 3.37Å; E201-R418 VanDerWaalsContact OE1-CZ 3.31Å; E201-R418 IonicContact OE1-NH1 3.51Å; E201-R418 PolarHBondContact OE1-NH1 3.3Å; E201-R418 IonicContact OE1-NH2 3.31Å; E201-R418 PolarHBondContact OE1-NH2 3.07Å; E201-R418 IonicContact OE2-NH1 3.72Å; E201-W419 VanDerWaalsContact CD-NE1 3.29Å; E201-W419 PolarHBondContact OE1-NE1 2.93Å; E201-W419 PolarHBondContact OE2-NE1 3.29Å
202	D	98.9	Very high	98.8	Very high	76 Å²	76	45.2 Å²	45.2	41%	0.406	23%	0.226	S	C	.	.	H	α-helix	trans	-63.5	-39.4	174.6	-84.7	-3.8	0	0	0	112.7	E198 L200 R205 K206	E198-D202 VanDerWaalsContact O-CB 3.27Å; E198-D202 WeakPolarHBondContact O-CB 3.13Å; E198-D202 VanDerWaalsContact O-CG 3.3Å; E198-D202 PolarHBondContact O-N 2.67Å; L200-D202 VanDerWaalsContact C-N 3.33Å; L200-D202 PolarHBondContact O-N 3.24Å; D202-R205 IonicContact OD1-NH1 3.51Å; D202-K206 WeakPolarHBondContact O-CD 3.29Å; D202-K206 VanDerWaalsContact O-CG 3.29Å; D202-K206 WeakPolarHBondContact O-CG 3.34Å; D202-K206 PolarHBondContact O-N 2.82Å
203	C	98.9	Very high	98.8	Very high	8 Å²	8	46 Å²	46	5%	0.054	23%	0.228	C	C	.	.	H	α-helix	trans	-63.9	-48.6	172	-172.8	0	0	0	0	109.8	R199 L200 R205 K206 L207	R199-C203 PolarHBondContact O-N 2.77Å; L200-C203 WeakPolarHBondContact O-CB 3.5Å; L200-C203 PolarHBondContact O-N 2.92Å; C203-R205 PolarHBondContact O-N 2.85Å; C203-K206 WeakPolarHBondContact O-CB 3.49Å; C203-K206 PolarHBondContact O-N 2.79Å; C203-L207 WeakPolarHBondContact O-CG 3.31Å; C203-L207 PolarHBondContact O-N 3.02Å
204	S	98.9	Very high	98.8	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-61	-46.4	-177	-167.8	0	0	0	0	112.8	L200 E201 K206 L207 I208 L217 T254	L200-S204 PolarHBondContact O-N 3.14Å; E201-S204 PolarHBondContact O-N 2.85Å; S204-K206 VanDerWaalsContact C-N 3.3Å; S204-K206 PolarHBondContact O-N 3Å; S204-L207 PolarHBondContact O-N 2.85Å; S204-I208 WeakPolarHBondContact O-CB 3.15Å; S204-I208 VanDerWaalsContact O-CG2 3.26Å; S204-I208 WeakPolarHBondContact O-CG2 3.45Å; S204-I208 PolarHBondContact O-N 2.82Å; S204-L217 VanDerWaalsContact CB-CD2 3.48Å; S204-L217 WeakPolarHBondContact OG-CD2 3.47Å; S204-T254 WeakPolarHBondContact OG-CG2 3.47Å
205	R	98.9	Very high	98.8	Very high	20 Å²	20	49 Å²	49	8%	0.075	25%	0.246	C	C	.	.	H	α-helix	trans	-57.5	-39.7	175.3	-71.6	177.2	-175.5	103.8	10.7	112.8	E201 D202 C203 K209 E210 L217	E201-R205 WeakPolarHBondContact O-CB 3.21Å; E201-R205 VanDerWaalsContact O-CG 3.29Å; E201-R205 WeakPolarHBondContact O-CG 3.47Å; E201-R205 PolarHBondContact O-N 2.88Å; E201-R205 IonicContact OE2-CZ 2.79Å; E201-R205 IonicContact OE2-NH1 2.79Å; E201-R205 PolarHBondContact OE2-NH1 3.24Å; E201-R205 IonicContact OE2-NH2 3.75Å; E201-R205 PolarHBondContact OE2-NH2 3.31Å; D202-R205 IonicContact OD1-NH1 3.51Å; C203-R205 PolarHBondContact O-N 2.85Å; R205-K209 PolarHBondContact O-N 2.67Å; R205-E210 HydrophobicContact CB-CB 4.13Å; R205-E210 WeakPolarHBondContact CD-OE1 3.42Å; R205-E210 VanDerWaalsContact CD-OE2 3.27Å; R205-E210 WeakPolarHBondContact CD-OE2 3.46Å; R205-E210 HydrophobicContact CG-CB 4.32Å; R205-E210 HydrophobicContact CG-CG 4.47Å; R205-E210 WeakPolarHBondContact CG-OE1 3.49Å; R205-E210 IonicContact NE-OE1 2.65Å; R205-E210 PolarHBondContact NE-OE1 2.99Å; R205-E210 IonicContact NE-OE2 2.81Å; R205-E210 PolarHBondContact O-N 3.29Å; R205-L217 HydrophobicContact CG-CD1 4.13Å; R205-L217 HydrophobicContact CG-CD2 4.27Å; R205-L217 HydrophobicContact CG-CG 4.17Å
206	K	98.9	Very high	98.8	Very high	115 Å²	115	44.5 Å²	44.5	50%	0.5	23%	0.226	S	C	.	.	H	α-helix	trans	-68.2	-48.9	176.5	-69.8	168.8	-169.9	166.5	0	111.4	P119 D202 C203 S204 K209	P119-K206 WeakPolarHBondContact CG-O 3.27Å; D202-K206 WeakPolarHBondContact O-CD 3.29Å; D202-K206 VanDerWaalsContact O-CG 3.29Å; D202-K206 WeakPolarHBondContact O-CG 3.34Å; D202-K206 PolarHBondContact O-N 2.82Å; C203-K206 WeakPolarHBondContact O-CB 3.49Å; C203-K206 PolarHBondContact O-N 2.79Å; S204-K206 VanDerWaalsContact C-N 3.3Å; S204-K206 PolarHBondContact O-N 3Å; K206-K209 PolarHBondContact O-N 2.71Å
207	L	98.9	Very high	98.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-69.3	-38.9	-175.2	-62.8	-161.5	0	0	0	112.3	P116 V118 P119 I120 A175 Q178 V179 C203 S204 K209	P116-L207 HydrophobicContact CB-CD1 3.86Å; P116-L207 HydrophobicContact CB-CD2 3.9Å; P116-L207 HydrophobicContact CB-CG 4.33Å; V118-L207 VanDerWaalsContact O-CD2 3.29Å; V118-L207 WeakPolarHBondContact O-CD2 3.1Å; P119-L207 WeakPolarHBondContact CA-O 3.34Å; I120-L207 HydrophobicContact CD1-CB 4.38Å; I120-L207 HydrophobicContact CG1-CB 4.37Å; I120-L207 WeakPolarHBondContact CG1-O 3.3Å; I120-L207 PolarHBondContact N-O 3.34Å; A175-L207 HydrophobicContact CB-CB 4.3Å; Q178-L207 HydrophobicContact CB-CD1 3.53Å; V179-L207 HydrophobicContact CG2-CD1 3.97Å; V179-L207 HydrophobicContact CG2-CG 4.45Å; C203-L207 WeakPolarHBondContact O-CG 3.31Å; C203-L207 PolarHBondContact O-N 3.02Å; S204-L207 PolarHBondContact O-N 2.85Å; L207-K209 VanDerWaalsContact C-N 3.26Å; L207-K209 PolarHBondContact O-N 2.86Å
208	I	98.8	Very high	98.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-75.9	-15.7	176.8	-155.4	61.5	0	0	0	113	A172 A175 S204 E210 T254 I256	A172-I208 HydrophobicContact CB-CD1 4.27Å; A175-I208 HydrophobicContact CB-CB 4.47Å; A175-I208 HydrophobicContact CB-CD1 3.81Å; S204-I208 WeakPolarHBondContact O-CB 3.15Å; S204-I208 VanDerWaalsContact O-CG2 3.26Å; S204-I208 WeakPolarHBondContact O-CG2 3.45Å; S204-I208 PolarHBondContact O-N 2.82Å; I208-E210 HydrophobicContact CG2-CB 4.45Å; I208-T254 HydrophobicContact CD1-CG2 4.49Å; I208-I256 HydrophobicContact CD1-CD1 3.67Å; I208-I256 HydrophobicContact CD1-CG1 3.99Å; I208-I256 HydrophobicContact CG1-CD1 3.92Å
209	K	98.8	Very high	98.8	Very high	112 Å²	112	41.4 Å²	41.4	49%	0.487	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	64	-171.2	-162.1	175.2	176.6	175.3	0	111.5	P119 R205 K206 L207 N211	P119-K209 HydrophobicContact CB-CB 4.03Å; P119-K209 HydrophobicContact CB-CD 4.33Å; P119-K209 HydrophobicContact CB-CG 4.46Å; P119-K209 HydrophobicContact CG-CB 4.42Å; P119-K209 HydrophobicContact CG-CD 4.48Å; P119-K209 HydrophobicContact CG-CG 4.47Å; R205-K209 PolarHBondContact O-N 2.67Å; K206-K209 PolarHBondContact O-N 2.71Å; L207-K209 VanDerWaalsContact C-N 3.26Å; L207-K209 PolarHBondContact O-N 2.86Å; K209-N211 PolarHBondContact O-N 2.88Å
210	E	98.8	Very high	98.8	Very high	88 Å²	88	36 Å²	36	41%	0.411	19%	0.191	S	C	.	.			trans	-44.6	126.5	-178.4	-171.8	179.8	-124.5	0	0	111.8	R205 I208 A215 R422	R205-E210 HydrophobicContact CB-CB 4.13Å; R205-E210 WeakPolarHBondContact CD-OE1 3.42Å; R205-E210 VanDerWaalsContact CD-OE2 3.27Å; R205-E210 WeakPolarHBondContact CD-OE2 3.46Å; R205-E210 HydrophobicContact CG-CB 4.32Å; R205-E210 HydrophobicContact CG-CG 4.47Å; R205-E210 WeakPolarHBondContact CG-OE1 3.49Å; R205-E210 IonicContact NE-OE1 2.65Å; R205-E210 PolarHBondContact NE-OE1 2.99Å; R205-E210 IonicContact NE-OE2 2.81Å; R205-E210 PolarHBondContact O-N 3.29Å; I208-E210 HydrophobicContact CG2-CB 4.45Å; E210-A215 CarbonylContact C-O 3.49Å; E210-A215 VanDerWaalsContact CA-O 3.3Å; E210-A215 WeakPolarHBondContact CA-O 3.39Å; E210-R422 IonicContact OE2-NH1 3.23Å
211	N	98.6	Very high	98.8	Very high	97 Å²	97	36.1 Å²	36.1	52%	0.519	19%	0.192	S	C	.	.	B	Isolated β-bridge	trans	-152.1	74.5	-174.1	-178.5	27.9	0	0	0	111.1	K209 L213 N214 A215	K209-N211 PolarHBondContact O-N 2.88Å; N211-L213 PolarHBondContact O-N 2.96Å; N211-N214 WeakPolarHBondContact O-CB 3.41Å; N211-N214 PolarHBondContact O-N 3.37Å; N211-A215 HydrophobicContact CB-CB 4.41Å; N211-A215 PolarHBondContact N-O 2.85Å
212	G	98.3	Very high	98.8	Very high	53 Å²	53	36.1 Å²	36.1	55%	0.546	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	51.8	-135	-175.5	0	0	0	0	0	111	N214	G212-N214 VanDerWaalsContact C-N 3.31Å; G212-N214 PolarHBondContact O-N 2.95Å
213	L	98.5	Very high	98.8	Very high	52 Å²	52	32.5 Å²	32.5	27%	0.272	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-78.5	-8.9	177.8	-60.8	178.3	0	0	0	114	N211 H255 Y336 N409	N211-L213 PolarHBondContact O-N 2.96Å; L213-H255 PolarHBondContact O-CE1 2.89Å; L213-H255 VanDerWaalsContact O-CE1 3.23Å; L213-Y336 HydrophobicContact CB-CE1 4.32Å; L213-Y336 VanDerWaalsContact O-CE1 3.22Å; L213-Y336 WeakPolarHBondContact O-CE1 3.32Å; L213-Y336 PolarHBondContact O-OH 3.4Å; L213-Y336 VanDerWaalsContact O-OH 3.04Å; L213-N409 WeakPolarHBondContact CD2-O 3.46Å
214	N	98.8	Very high	98.8	Very high	86 Å²	86	32.2 Å²	32.2	46%	0.46	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-77.9	-29.1	-177.8	-62	-45.3	0	0	0	112.6	N211 G212 I256 N257	N211-N214 WeakPolarHBondContact O-CB 3.41Å; N211-N214 PolarHBondContact O-N 3.37Å; G212-N214 VanDerWaalsContact C-N 3.31Å; G212-N214 PolarHBondContact O-N 2.95Å; N214-I256 CarbonylContact O-C 3.59Å; N214-N257 PolarHBondContact O-N 3.45Å
215	A	98.9	Very high	98.8	Very high	9 Å²	9	33.2 Å²	33.2	7%	0.074	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	133.2	178.8	0	0	0	0	0	109.1	E210 N211 H255 I256	E210-A215 CarbonylContact C-O 3.49Å; E210-A215 VanDerWaalsContact CA-O 3.3Å; E210-A215 WeakPolarHBondContact CA-O 3.39Å; N211-A215 HydrophobicContact CB-CB 4.41Å; N211-A215 PolarHBondContact N-O 2.85Å; A215-H255 WeakPolarHBondContact CA-O 3.33Å; A215-I256 HydrophobicContact CB-CD1 3.55Å
216	G	98.9	Very high	98.8	Very high	3 Å²	3	33.9 Å²	33.9	3%	0.031	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.3	-165.2	-174.5	0	0	0	0	0	114.7	H255	G216-H255 PolarHBondContact N-NE2 3.46Å; G216-H255 PolarHBondContact N-O 3.49Å; G216-H255 VanDerWaalsContact N-O 3.14Å; G216-H255 PolarHBondContact O-CD2 2.85Å; G216-H255 PolarHBondContact O-N 3.29Å
217	L	98.9	Very high	98.8	Very high	15 Å²	15	30.2 Å²	30.2	8%	0.079	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	128.6	173.5	-49.7	-174.5	0	0	0	108.5	E201 S204 R205 G253 W419	E201-L217 HydrophobicContact CB-CD1 3.92Å; E201-L217 HydrophobicContact CG-CD1 3.95Å; S204-L217 VanDerWaalsContact CB-CD2 3.48Å; S204-L217 WeakPolarHBondContact OG-CD2 3.47Å; R205-L217 HydrophobicContact CG-CD1 4.13Å; R205-L217 HydrophobicContact CG-CD2 4.27Å; R205-L217 HydrophobicContact CG-CG 4.17Å; L217-G253 WeakPolarHBondContact CA-O 3.45Å; L217-W419 HydrophobicContact CB-CH2 3.64Å; L217-W419 HydrophobicContact CB-CZ2 3.98Å; L217-W419 HydrophobicContact CD1-CH2 4.16Å; L217-W419 HydrophobicContact CD1-CZ2 3.6Å; L217-W419 HydrophobicContact CG-CZ2 4.44Å
218	A	98.9	Very high	98.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	-79.3	-31.3	-174.8	0	0	0	0	0	112.9	G253 H255 I260	A218-G253 PolarHBondContact N-O 2.7Å; A218-H255 HydrophobicContact CB-CB 4.28Å; A218-I260 HydrophobicContact CB-CB 4.22Å; A218-I260 HydrophobicContact CB-CD1 4.49Å; A218-I260 HydrophobicContact CB-CG1 3.91Å; A218-I260 HydrophobicContact CB-CG2 3.45Å; A218-I260 VanDerWaalsContact CB-CG2 3.45Å
219	F	98.9	Very high	98.8	Very high	18 Å²	18	30.4 Å²	30.4	8%	0.079	17%	0.168	C	C	.	.	S	Bend	trans	-159.8	162.1	178.6	53.8	-96	0	0	0	109.9	D251 F252 G253 I260 D262 I338 A414 W419	F219-D251 VanDerWaalsContact CE2-OD1 3.31Å; F219-D251 WeakPolarHBondContact CE2-OD1 3.14Å; F219-F252 VanDerWaalsContact CE2-CA 3.42Å; F219-G253 VanDerWaalsContact CE2-N 3.26Å; F219-I260 HydrophobicContact CE1-CG2 4.32Å; F219-D262 HydrophobicContact CE1-CB 4.1Å; F219-D262 WeakPolarHBondContact CE1-OD1 3.47Å; F219-D262 HydrophobicContact CZ-CB 4.36Å; F219-D262 WeakPolarHBondContact CZ-OD1 3.4Å; F219-I338 HydrophobicContact CD1-CD1 3.63Å; F219-I338 HydrophobicContact CD1-CG1 4.26Å; F219-I338 HydrophobicContact CE1-CD1 3.67Å; F219-A414 HydrophobicContact CB-CB 3.83Å; F219-W419 WeakPolarHBondContact O-CH2 3.39Å
220	P	98.9	Very high	98.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.146	C	C	.	.			trans	-62.2	152.3	-176.6	-19.7	31.6	0	0	0	113.3	G222 T233 C416 W419	P220-G222 PolarHBondContact O-N 3.03Å; P220-T233 HydrophobicContact CB-CG2 4.08Å; P220-C416 HydrophobicContact CB-CB 3.76Å; P220-C416 HydrophobicContact CG-CB 3.59Å; P220-W419 HydrophobicContact CB-CH2 4.37Å; P220-W419 HydrophobicContact CB-CZ2 4.2Å; P220-W419 HydrophobicContact CG-CH2 4.22Å; P220-W419 HydrophobicContact CG-CZ2 4.46Å; P220-W419 HydrophobicContact CG-CZ3 4.23Å
221	T	98.9	Very high	98.8	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.012	14%	0.138	C	C	.	.			trans	-68.2	102.4	175.9	-59.5	0	0	0	0	110.8	C197 L200 E201 T233 D251 F252	C197-T221 HydrophobicContact CB-CG2 4.48Å; L200-T221 HydrophobicContact CD1-CG2 3.77Å; L200-T221 HydrophobicContact CD2-CG2 4.18Å; L200-T221 HydrophobicContact CG-CG2 4.43Å; E201-T221 WeakPolarHBondContact CG-OG1 3.43Å; T221-T233 WeakPolarHBondContact O-CB 3.13Å; T221-T233 PolarHBondContact O-OG1 3.32Å; T221-D251 CarbonylContact C-O 3.52Å; T221-D251 WeakPolarHBondContact CA-O 3.32Å; T221-F252 HydrophobicContact CG2-CB 4.38Å
222	G	98.9	Very high	98.8	Very high	4 Å²	4	19.6 Å²	19.6	4%	0.041	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	131.3	164.6	0	0	0	0	0	110.6	P220 Y232 K249 I250 D251	P220-G222 PolarHBondContact O-N 3.03Å; G222-Y232 WeakPolarHBondContact CA-O 3.32Å; G222-K249 CarbonylContact C-O 3.6Å; G222-K249 VanDerWaalsContact O-O 3.12Å; G222-I250 WeakPolarHBondContact O-CA 3.02Å; G222-D251 WeakPolarHBondContact CA-O 3.27Å; G222-D251 PolarHBondContact N-O 3.43Å; G222-D251 PolarHBondContact O-N 2.75Å
223	C	98.9	Very high	98.9	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	40.2	177.3	63.5	0	0	0	0	110.4	M193 C197 L225 Y232 K249 I250	M193-C223 HydrophobicContact CE-CB 3.46Å; M193-C223 VanDerWaalsContact CE-CB 3.46Å; M193-C223 WeakPolarHBondContact CE-O 3.07Å; M193-C223 WeakPolarHBondContact CE-SG 3.48Å; C197-C223 VanDerWaalsContact SG-SG 3.65Å; C223-L225 PolarHBondContact O-N 3Å; C223-Y232 PolarHBondContact N-O 3.4Å; C223-Y232 WeakPolarHBondContact O-CD1 3.43Å; C223-K249 CarbonylContact C-O 3.59Å; C223-K249 WeakPolarHBondContact CA-O 3.37Å; C223-I250 HydrophobicContact CB-CD1 4.2Å
224	S	98.9	Very high	98.9	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.014	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	132.4	-171	-52.8	0	0	0	0	111.8	C228 A229 A230 Y232 C248 K249	S224-C228 WeakPolarHBondContact CB-O 3.17Å; S224-A229 WeakPolarHBondContact CB-O 3.36Å; S224-A230 WeakPolarHBondContact OG-CA 3.17Å; S224-A230 PolarHBondContact OG-O 3.11Å; S224-Y232 PolarHBondContact OG-N 3.2Å; S224-C248 WeakPolarHBondContact O-CA 3.44Å; S224-K249 PolarHBondContact N-O 3.1Å; S224-K249 WeakPolarHBondContact O-CE 3.48Å; S224-K249 PolarHBondContact O-N 3.01Å; S224-K249 PolarHBondContact O-NZ 3.03Å
225	L	98.9	Very high	98.9	Very high	21 Å²	21	11.1 Å²	11.1	11%	0.11	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	136.6	-173.4	-60	-179.8	0	0	0	112.3	M193 C223 H227 C228 T240 L242 D246 V247 C248	M193-L225 HydrophobicContact CE-CD1 4.38Å; M193-L225 HydrophobicContact CE-CD2 3.91Å; M193-L225 HydrophobicContact CE-CG 4.3Å; M193-L225 HydrophobicContact CG-CD1 4.37Å; M193-L225 HydrophobicContact SD-CD1 4Å; M193-L225 HydrophobicContact SD-CD2 4.33Å; C223-L225 PolarHBondContact O-N 3Å; L225-H227 PolarHBondContact O-N 3.06Å; L225-H227 VanDerWaalsContact O-N 3.1Å; L225-C228 WeakPolarHBondContact O-CB 3.21Å; L225-C228 PolarHBondContact O-N 2.92Å; L225-T240 HydrophobicContact CD1-CG2 3.77Å; L225-L242 HydrophobicContact CD2-CD1 3.86Å; L225-D246 HydrophobicContact CD2-CB 4.31Å; L225-V247 CarbonylContact C-O 3.25Å; L225-C248 HydrophobicContact CD2-CB 3.62Å
226	N	98.8	Very high	98.9	Very high	35 Å²	35	14.2 Å²	14.2	19%	0.187	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	-108.4	166.7	-56.7	-38.8	0	0	0	113.6	D246 V247 K249 T455	N226-D246 PolarHBondContact ND2-OD1 3.41Å; N226-D246 VanDerWaalsContact OD1-CA 3.31Å; N226-D246 WeakPolarHBondContact OD1-CA 3.44Å; N226-D246 PolarHBondContact OD1-OD1 2.9Å; N226-V247 PolarHBondContact N-O 2.94Å; N226-V247 PolarHBondContact OD1-N 2.81Å; N226-K249 PolarHBondContact O-NZ 2.95Å; N226-T455 PolarHBondContact O-N 3.16Å; N226-T455 PolarHBondContact O-OG1 3.03Å
227	H	98.9	Very high	98.8	Very high	38 Å²	38	17.4 Å²	17.4	18%	0.176	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-18.5	179.8	61.7	-70.3	0	0	0	113	L225 A229 C448 D449 C453	L225-H227 PolarHBondContact O-N 3.06Å; L225-H227 VanDerWaalsContact O-N 3.1Å; H227-A229 PolarHBondContact O-N 3.26Å; H227-C448 CarbonylContact O-C 3.28Å; H227-C448 WeakPolarHBondContact O-CA 3.48Å; H227-D449 PolarHBondContact CD2-O 2.84Å; H227-D449 PolarHBondContact O-N 3.02Å; H227-C453 PolarHBondContact N-O 3.37Å
228	C	98.9	Very high	98.8	Very high	3 Å²	3	18.4 Å²	18.4	2%	0.02	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	115	170.2	-175.1	0	0	0	0	108.7	S224 L225 K249 M378 L447 C448	S224-C228 WeakPolarHBondContact CB-O 3.17Å; L225-C228 WeakPolarHBondContact O-CB 3.21Å; L225-C228 PolarHBondContact O-N 2.92Å; C228-K249 WeakPolarHBondContact O-CE 3.37Å; C228-K249 PolarHBondContact O-NZ 3.16Å; C228-M378 HydrophobicContact CB-CE 3.87Å; C228-M378 WeakPolarHBondContact SG-CE 3.36Å; C228-L447 CarbonylContact C-O 3.52Å; C228-C448 VanDerWaalsContact CB-SG 3.52Å
229	A	98.9	Very high	98.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	-47.7	-176.9	0	0	0	0	0	112.1	S224 H227 K249 I325 L328 F366 V374 L447 T455	S224-A229 WeakPolarHBondContact CB-O 3.36Å; H227-A229 PolarHBondContact O-N 3.26Å; A229-K249 VanDerWaalsContact O-CE 3.27Å; A229-K249 WeakPolarHBondContact O-CE 3.14Å; A229-I325 HydrophobicContact CB-CD1 3.69Å; A229-L328 HydrophobicContact CB-CD1 3.84Å; A229-F366 HydrophobicContact CB-CD1 4.06Å; A229-F366 HydrophobicContact CB-CE1 4.42Å; A229-V374 HydrophobicContact CB-CG1 3.91Å; A229-L447 PolarHBondContact N-O 3.14Å; A229-T455 WeakPolarHBondContact CA-OG1 3.39Å; A229-T455 HydrophobicContact CB-CG2 4.36Å
230	A	98.8	Very high	98.8	Very high	5 Å²	5	25.1 Å²	25.1	4%	0.041	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	169.5	-170.4	0	0	0	0	0	112.8	S224 Y232 F366 P446 L447	S224-A230 WeakPolarHBondContact OG-CA 3.17Å; S224-A230 PolarHBondContact OG-O 3.11Å; A230-Y232 PolarHBondContact O-N 3.36Å; A230-Y232 VanDerWaalsContact O-N 3.11Å; A230-F366 HydrophobicContact CB-CE1 4.22Å; A230-F366 HydrophobicContact CB-CZ 4.39Å; A230-P446 WeakPolarHBondContact O-CA 3.37Å; A230-L447 PolarHBondContact O-N 3.16Å
231	H	98.8	Very high	98.8	Very high	49 Å²	49	27.3 Å²	27.3	23%	0.227	18%	0.18	C	C	.	.			trans	61.2	14.1	170.8	-54.6	162.7	0	0	0	117.4	H382 P445	H231-H382 PolarHBondContact O-CE1 3.02Å; H231-H382 VanDerWaalsContact O-CE1 3.29Å; H231-H382 PolarHBondContact O-ND1 2.9Å; H231-P445 WeakPolarHBondContact CB-O 3.47Å
232	Y	98.9	Very high	98.8	Very high	17 Å²	17	27.2 Å²	27.2	7%	0.067	18%	0.18	C	C	.	.			trans	-91.5	122	166.5	168.9	-97.5	0	0	0	111	M193 G222 C223 S224 A230 D238 M378 P446	M193-Y232 HydrophobicContact CG-CE1 4.26Å; G222-Y232 WeakPolarHBondContact CA-O 3.32Å; C223-Y232 PolarHBondContact N-O 3.4Å; C223-Y232 WeakPolarHBondContact O-CD1 3.43Å; S224-Y232 PolarHBondContact OG-N 3.2Å; A230-Y232 PolarHBondContact O-N 3.36Å; A230-Y232 VanDerWaalsContact O-N 3.11Å; Y232-D238 PolarHBondContact OH-OD2 3.05Å; Y232-M378 HydrophobicContact CD2-CE 3.99Å; Y232-M378 HydrophobicContact CG-CE 4.29Å; Y232-P446 HydrophobicContact CD2-CG 4.44Å
233	T	98.9	Very high	98.8	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.006	20%	0.201	C	C	.	.			trans	-135.3	143.5	160.8	-161	0	0	0	0	107.2	P220 T221 S381 H382 C416 R418	P220-T233 HydrophobicContact CB-CG2 4.08Å; T221-T233 WeakPolarHBondContact O-CB 3.13Å; T221-T233 PolarHBondContact O-OG1 3.32Å; T233-S381 WeakPolarHBondContact CG2-OG 3.31Å; T233-S381 PolarHBondContact N-OG 2.79Å; T233-S381 WeakPolarHBondContact O-CB 3.23Å; T233-S381 PolarHBondContact O-OG 3.17Å; T233-H382 VanDerWaalsContact CG2-CE1 3.47Å; T233-H382 WeakPolarHBondContact CG2-CE1 3.36Å; T233-C416 HydrophobicContact CG2-CB 3.8Å; T233-R418 PolarHBondContact OG1-NH2 3.07Å
234	P	98.9	Very high	98.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-64.8	141.5	-174.9	26.3	-36.6	0	0	0	111.3	M193 I194 D238 R418	M193-P234 HydrophobicContact CB-CB 4.27Å; M193-P234 HydrophobicContact CB-CG 3.96Å; I194-P234 HydrophobicContact CB-CG 4.44Å; I194-P234 HydrophobicContact CG1-CB 3.64Å; I194-P234 HydrophobicContact CG1-CG 3.72Å; P234-D238 HydrophobicContact CB-CB 3.64Å; P234-R418 WeakPolarHBondContact O-CD 3.42Å; P234-R418 WeakPolarHBondContact O-CG 3.46Å; P234-R418 PolarHBondContact O-NE 2.93Å
235	N	98.9	Very high	98.8	Very high	11 Å²	11	40.6 Å²	40.6	6%	0.059	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-83.7	169.5	163.5	-72.6	-37.7	0	0	0	110	G237 D238 E379 C380 S381 R417	N235-G237 PolarHBondContact O-N 2.92Å; N235-D238 WeakPolarHBondContact O-CB 3.45Å; N235-D238 PolarHBondContact O-N 2.91Å; N235-E379 PolarHBondContact ND2-OE2 2.78Å; N235-C380 PolarHBondContact ND2-O 3.06Å; N235-S381 WeakPolarHBondContact OD1-CB 3.27Å; N235-R417 WeakPolarHBondContact OD1-CB 3.49Å; N235-R417 WeakPolarHBondContact OD1-CD 3.5Å; N235-R417 WeakPolarHBondContact OD1-CG 3.39Å
236	A	98.2	Very high	98.8	Very high	74 Å²	74	40.3 Å²	40.3	61%	0.612	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	130.3	174.4	0	0	0	0	0	111.6
237	G	98	Very high	98.8	Very high	71 Å²	71	38.7 Å²	38.7	73%	0.732	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.1	1.6	179.7	0	0	0	0	0	115.3	N235 P239	N235-G237 PolarHBondContact O-N 2.92Å; G237-P239 VanDerWaalsContact O-CD 3.28Å; G237-P239 WeakPolarHBondContact O-CD 3.44Å
238	D	98.7	Very high	98.8	Very high	35 Å²	35	36.9 Å²	36.9	19%	0.187	22%	0.221	C	C	.	.			trans	-62.8	115.6	173	-167.8	-33.7	0	0	0	110.9	I194 Y232 P234 N235 T240	I194-D238 HydrophobicContact CD1-CB 4.28Å; I194-D238 WeakPolarHBondContact CD1-O 3.44Å; Y232-D238 PolarHBondContact OH-OD2 3.05Å; P234-D238 HydrophobicContact CB-CB 3.64Å; N235-D238 WeakPolarHBondContact O-CB 3.45Å; N235-D238 PolarHBondContact O-N 2.91Å; D238-T240 VanDerWaalsContact C-N 3.28Å; D238-T240 PolarHBondContact O-N 2.95Å; D238-T240 WeakPolarHBondContact OD1-CB 3.26Å; D238-T240 PolarHBondContact OD1-N 3Å; D238-T240 PolarHBondContact OD1-OG1 3.35Å
239	P	98.4	Very high	98.8	Very high	108 Å²	108	36.8 Å²	36.8	70%	0.701	22%	0.22	S	C	*	.			trans	-88	6.9	-176.9	37.7	-35.7	0	0	0	112.8	G237 V241	G237-P239 VanDerWaalsContact O-CD 3.28Å; G237-P239 WeakPolarHBondContact O-CD 3.44Å; P239-V241 PolarHBondContact O-N 3.47Å
240	T	98.8	Very high	98.8	Very high	51 Å²	51	36.8 Å²	36.8	31%	0.313	22%	0.22	S	C	.	.			trans	-62.3	129	-173.5	-57.8	0	0	0	0	110.8	T192 M193 L225 D238	T192-T240 CarbonylContact C-O 3.56Å; T192-T240 VanDerWaalsContact CA-O 3.27Å; T192-T240 WeakPolarHBondContact CA-O 3.35Å; M193-T240 HydrophobicContact CG-CG2 3.72Å; M193-T240 PolarHBondContact N-O 3.1Å; L225-T240 HydrophobicContact CD1-CG2 3.77Å; D238-T240 VanDerWaalsContact C-N 3.28Å; D238-T240 PolarHBondContact O-N 2.95Å; D238-T240 WeakPolarHBondContact OD1-CB 3.26Å; D238-T240 PolarHBondContact OD1-N 3Å; D238-T240 PolarHBondContact OD1-OG1 3.35Å
241	V	98.9	Very high	98.8	Very high	47 Å²	47	37.5 Å²	37.5	29%	0.285	22%	0.223	S	C	.	.	B	Isolated β-bridge	trans	-113.8	131.5	179	175.5	0	0	0	0	108.7	G190 L191 T192 P239 Q243	G190-V241 VanDerWaalsContact CA-CG1 3.47Å; L191-V241 WeakPolarHBondContact O-CA 3.32Å; T192-V241 HydrophobicContact CG2-CG2 4.01Å; P239-V241 PolarHBondContact O-N 3.47Å; V241-Q243 PolarHBondContact O-N 2.99Å; V241-Q243 PolarHBondContact O-NE2 3.36Å
242	L	98.9	Very high	98.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.213	C	C	.	.			trans	-61.9	127.4	174.3	-176.7	63.2	0	0	0	110.3	L187 P189 G190 L191 M193 I196 L225 D246 C248 F269	L187-L242 HydrophobicContact CD1-CD2 4.38Å; L187-L242 HydrophobicContact CD2-CD2 4.07Å; L187-L242 HydrophobicContact CG-CD2 3.93Å; P189-L242 CarbonylContact C-O 3.48Å; P189-L242 WeakPolarHBondContact CA-O 3.34Å; G190-L242 PolarHBondContact N-O 2.9Å; L191-L242 PolarHBondContact O-N 3.32Å; M193-L242 HydrophobicContact SD-CB 3.97Å; I196-L242 HydrophobicContact CD1-CB 4Å; I196-L242 HydrophobicContact CD1-CD2 3.78Å; L225-L242 HydrophobicContact CD2-CD1 3.86Å; L242-D246 HydrophobicContact CD1-CB 3.79Å; L242-C248 HydrophobicContact CD1-CB 3.94Å; L242-F269 HydrophobicContact CD1-CE2 4.37Å; L242-F269 HydrophobicContact CD2-CE2 3.63Å; L242-F269 HydrophobicContact CD2-CZ 3.81Å; L242-F269 HydrophobicContact CG-CE2 3.93Å
243	Q	98.9	Very high	98.8	Very high	102 Å²	102	34.5 Å²	34.5	48%	0.477	21%	0.21	S	C	.	.			trans	-102.8	167.8	-179.3	-55.4	-56.9	-46.8	0	0	112.1	V241 D246	V241-Q243 PolarHBondContact O-N 2.99Å; V241-Q243 PolarHBondContact O-NE2 3.36Å; Q243-D246 WeakPolarHBondContact CB-OD2 3.35Å; Q243-D246 PolarHBondContact N-OD2 2.86Å; Q243-D246 PolarHBondContact O-N 3.19Å
244	Y	98.8	Very high	98.8	Very high	113 Å²	113	34.5 Å²	34.5	44%	0.443	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-39.2	178.2	177.8	-104.2	0	0	0	112.9	P189 D246 F269 N270	P189-Y244 HydrophobicContact CG-CD2 4.47Å; Y244-D246 VanDerWaalsContact C-N 3.3Å; Y244-D246 PolarHBondContact O-N 3.44Å; Y244-F269 HydrophobicContact CD2-CB 3.63Å; Y244-F269 HydrophobicContact CE2-CB 3.75Å; Y244-F269 VanDerWaalsContact CE2-O 3.27Å; Y244-F269 WeakPolarHBondContact CE2-O 3.27Å; Y244-F269 PolarHBondContact OH-O 3.03Å; Y244-N270 HydrophobicContact CD1-CB 4.26Å; Y244-N270 HydrophobicContact CE1-CB 3.69Å
245	D	98.7	Very high	98.8	Very high	72 Å²	72	34.6 Å²	34.6	39%	0.385	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	10.9	179.9	-70.5	-55.6	0	0	0	113.3	N270 K272 Y273	D245-N270 PolarHBondContact OD1-ND2 3.02Å; D245-K272 IonicContact OD1-NZ 2.97Å; D245-Y273 PolarHBondContact O-OH 2.89Å
246	D	98.9	Very high	98.8	Very high	15 Å²	15	34.6 Å²	34.6	8%	0.08	21%	0.211	C	C	.	.			trans	-78.8	141.7	177.4	-77.3	-21.3	0	0	0	112.1	L225 N226 L242 Q243 Y244	L225-D246 HydrophobicContact CD2-CB 4.31Å; N226-D246 PolarHBondContact ND2-OD1 3.41Å; N226-D246 VanDerWaalsContact OD1-CA 3.31Å; N226-D246 WeakPolarHBondContact OD1-CA 3.44Å; N226-D246 PolarHBondContact OD1-OD1 2.9Å; L242-D246 HydrophobicContact CD1-CB 3.79Å; Q243-D246 WeakPolarHBondContact CB-OD2 3.35Å; Q243-D246 PolarHBondContact N-OD2 2.86Å; Q243-D246 PolarHBondContact O-N 3.19Å; Y244-D246 VanDerWaalsContact C-N 3.3Å; Y244-D246 PolarHBondContact O-N 3.44Å
247	V	98.9	Very high	98.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.196	C	C	.	.			trans	-103	100.2	165.9	-172.7	0	0	0	0	108.6	L225 N226 K249 T266 T268 Y273 Y454 T455	L225-V247 CarbonylContact C-O 3.25Å; N226-V247 PolarHBondContact N-O 2.94Å; N226-V247 PolarHBondContact OD1-N 2.81Å; V247-K249 PolarHBondContact O-NZ 2.79Å; V247-K249 VanDerWaalsContact O-NZ 3.1Å; V247-T266 HydrophobicContact CG1-CG2 3.47Å; V247-T266 VanDerWaalsContact CG1-CG2 3.47Å; V247-T268 HydrophobicContact CB-CG2 4.23Å; V247-T268 HydrophobicContact CG1-CG2 3.96Å; V247-T268 HydrophobicContact CG2-CG2 4Å; V247-Y273 HydrophobicContact CG2-CD1 3.6Å; V247-Y273 HydrophobicContact CG2-CD2 3.78Å; V247-Y273 HydrophobicContact CG2-CE1 3.61Å; V247-Y273 HydrophobicContact CG2-CE2 3.79Å; V247-Y273 HydrophobicContact CG2-CG 3.69Å; V247-Y454 HydrophobicContact CG2-CD1 3.94Å; V247-Y454 HydrophobicContact CG2-CG 4.44Å; V247-T455 VanDerWaalsContact CG1-O 3.26Å; V247-T455 WeakPolarHBondContact CG1-O 3.39Å
248	C	98.9	Very high	98.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	122.7	-173.1	-175.6	0	0	0	0	111.1	S224 L225 L242 T266 V267	S224-C248 WeakPolarHBondContact O-CA 3.44Å; L225-C248 HydrophobicContact CD2-CB 3.62Å; L242-C248 HydrophobicContact CD1-CB 3.94Å; C248-T266 CarbonylContact O-C 3.48Å; C248-T266 WeakPolarHBondContact O-CA 3.35Å; C248-V267 PolarHBondContact N-O 3Å; C248-V267 PolarHBondContact O-N 3.33Å
249	K	98.9	Very high	98.9	Very high	1 Å²	1	31.3 Å²	31.3	0%	0.004	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	115.2	173.2	-72.1	70.5	62.3	-167.4	0	108.1	G222 C223 S224 N226 C228 A229 V247 T266 T455 Q457	G222-K249 CarbonylContact C-O 3.6Å; G222-K249 VanDerWaalsContact O-O 3.12Å; C223-K249 CarbonylContact C-O 3.59Å; C223-K249 WeakPolarHBondContact CA-O 3.37Å; S224-K249 PolarHBondContact N-O 3.1Å; S224-K249 WeakPolarHBondContact O-CE 3.48Å; S224-K249 PolarHBondContact O-N 3.01Å; S224-K249 PolarHBondContact O-NZ 3.03Å; N226-K249 PolarHBondContact O-NZ 2.95Å; C228-K249 WeakPolarHBondContact O-CE 3.37Å; C228-K249 PolarHBondContact O-NZ 3.16Å; A229-K249 VanDerWaalsContact O-CE 3.27Å; A229-K249 WeakPolarHBondContact O-CE 3.14Å; V247-K249 PolarHBondContact O-NZ 2.79Å; V247-K249 VanDerWaalsContact O-NZ 3.1Å; K249-T266 HydrophobicContact CD-CG2 4.5Å; K249-T455 VanDerWaalsContact CD-O 3.27Å; K249-T455 WeakPolarHBondContact CD-O 3.4Å; K249-T455 PolarHBondContact NZ-O 2.97Å; K249-T455 PolarHBondContact NZ-OG1 3.18Å; K249-Q457 HydrophobicContact CB-CB 4.35Å; K249-Q457 HydrophobicContact CG-CB 3.56Å
250	I	98.9	Very high	98.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	112	173.2	-59.3	-61.7	0	0	0	107.6	I196 L200 G222 C223 F252 A264 F265 V267	I196-I250 HydrophobicContact CG2-CD1 4.42Å; L200-I250 HydrophobicContact CD1-CG2 3.75Å; G222-I250 WeakPolarHBondContact O-CA 3.02Å; C223-I250 HydrophobicContact CB-CD1 4.2Å; I250-F252 HydrophobicContact CG2-CD1 4.03Å; I250-F252 HydrophobicContact CG2-CE1 4.4Å; I250-A264 VanDerWaalsContact O-CA 3.31Å; I250-A264 WeakPolarHBondContact O-CA 3.36Å; I250-F265 HydrophobicContact CB-CD1 4.33Å; I250-F265 HydrophobicContact CB-CE1 3.84Å; I250-F265 HydrophobicContact CB-CE2 4.31Å; I250-F265 HydrophobicContact CB-CZ 3.84Å; I250-F265 HydrophobicContact CG1-CE2 4.47Å; I250-F265 HydrophobicContact CG1-CZ 4.26Å; I250-F265 HydrophobicContact CG2-CE1 3.71Å; I250-F265 HydrophobicContact CG2-CZ 3.87Å; I250-F265 PolarHBondContact N-O 3.44Å; I250-F265 PolarHBondContact O-N 3.08Å; I250-V267 HydrophobicContact CG1-CG2 4.07Å
251	D	98.9	Very high	98.9	Very high	20 Å²	20	23.8 Å²	23.8	11%	0.107	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	116.5	-173.8	-174	-11.8	0	0	0	108.2	F219 T221 G222 A264 Q457	F219-D251 VanDerWaalsContact CE2-OD1 3.31Å; F219-D251 WeakPolarHBondContact CE2-OD1 3.14Å; T221-D251 CarbonylContact C-O 3.52Å; T221-D251 WeakPolarHBondContact CA-O 3.32Å; G222-D251 WeakPolarHBondContact CA-O 3.27Å; G222-D251 PolarHBondContact N-O 3.43Å; G222-D251 PolarHBondContact O-N 2.75Å; D251-A264 HydrophobicContact CB-CB 3.73Å; D251-Q457 PolarHBondContact OD2-NE2 3.29Å
252	F	98.9	Very high	98.9	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.009	10%	0.102	C	C	.	.			trans	-153.6	147.5	-176.4	72.5	-79.7	0	0	0	112	H176 V179 R180 L200 F219 T221 I250 F265	H176-F252 AromaticContact CD2-CD2 3.77Å; H176-F252 AromaticContact CD2-CE1 3.87Å; H176-F252 AromaticContact CD2-CE2 3.31Å; H176-F252 WeakPolarHBondContact CD2-CE2 3.46Å; H176-F252 AromaticContact CD2-CZ 3.37Å; H176-F252 WeakPolarHBondContact CD2-CZ 3.37Å; H176-F252 PolarHBondContact CD2-O 2.98Å; H176-F252 AromaticContact CE1-CE1 3.64Å; H176-F252 AromaticContact CE1-CZ 3.65Å; H176-F252 AromaticContact CG-CE2 3.97Å; H176-F252 AromaticContact CG-CZ 3.82Å; H176-F252 AromaticContact ND1-CZ 3.99Å; H176-F252 AromaticContact NE2-CD1 3.6Å; H176-F252 AromaticContact NE2-CD2 3.94Å; H176-F252 AromaticContact NE2-CE1 3.22Å; H176-F252 WeakPolarHBondContact NE2-CE1 3.32Å; H176-F252 AromaticContact NE2-CE2 3.6Å; H176-F252 AromaticContact NE2-CG 3.95Å; H176-F252 AromaticContact NE2-CZ 3.22Å; H176-F252 WeakPolarHBondContact NE2-CZ 3.49Å; H176-F252 PolarHBondContact NE2-O 3.21Å; H176-F252 VanDerWaalsContact NE2-O 3.07Å; V179-F252 HydrophobicContact CB-CE2 3.83Å; V179-F252 HydrophobicContact CB-CZ 3.82Å; V179-F252 HydrophobicContact CG1-CD2 4.45Å; V179-F252 HydrophobicContact CG1-CE1 4.48Å; V179-F252 HydrophobicContact CG1-CE2 3.57Å; V179-F252 HydrophobicContact CG1-CZ 3.59Å; R180-F252 HydrophobicContact CB-CE1 3.97Å; R180-F252 HydrophobicContact CB-CZ 3.99Å; L200-F252 HydrophobicContact CD1-CD1 4.04Å; L200-F252 HydrophobicContact CD1-CE1 4.34Å; L200-F252 HydrophobicContact CD1-CG 4.36Å; L200-F252 HydrophobicContact CD2-CB 4.15Å; L200-F252 HydrophobicContact CD2-CD1 4.29Å; L200-F252 HydrophobicContact CD2-CD2 3.82Å; L200-F252 HydrophobicContact CD2-CE2 4.27Å; L200-F252 HydrophobicContact CD2-CG 3.82Å; F219-F252 VanDerWaalsContact CE2-CA 3.42Å; T221-F252 HydrophobicContact CG2-CB 4.38Å; I250-F252 HydrophobicContact CG2-CD1 4.03Å; I250-F252 HydrophobicContact CG2-CE1 4.4Å; F252-F265 HydrophobicContact CE1-CE1 4.4Å
253	G	98.9	Very high	98.9	Very high	2 Å²	2	21.9 Å²	21.9	2%	0.021	10%	0.102	C	C	.	.			trans	-115.2	147.3	-175.8	0	0	0	0	0	114.7	L217 A218 F219 I261	L217-G253 WeakPolarHBondContact CA-O 3.45Å; A218-G253 PolarHBondContact N-O 2.7Å; F219-G253 VanDerWaalsContact CE2-N 3.26Å; G253-I261 WeakPolarHBondContact CA-O 3.37Å
254	T	99	Very high	98.9	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	152.7	168.7	50.4	0	0	0	0	109.9	A172 A175 S204 I208 I261	A172-T254 PolarHBondContact O-OG1 3.47Å; A175-T254 HydrophobicContact CB-CG2 4.36Å; S204-T254 WeakPolarHBondContact OG-CG2 3.47Å; I208-T254 HydrophobicContact CD1-CG2 4.49Å; T254-I261 PolarHBondContact N-O 2.83Å; T254-I261 PolarHBondContact O-N 3.24Å
255	H	98.9	Very high	98.9	Very high	3 Å²	3	11.7 Å²	11.7	1%	0.014	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	154.8	171.7	73.9	86.6	0	0	0	113.3	L213 A215 G216 A218 R259 I260 L413	L213-H255 PolarHBondContact O-CE1 2.89Å; L213-H255 VanDerWaalsContact O-CE1 3.23Å; A215-H255 WeakPolarHBondContact CA-O 3.33Å; G216-H255 PolarHBondContact N-NE2 3.46Å; G216-H255 PolarHBondContact N-O 3.49Å; G216-H255 VanDerWaalsContact N-O 3.14Å; G216-H255 PolarHBondContact O-CD2 2.85Å; G216-H255 PolarHBondContact O-N 3.29Å; A218-H255 HydrophobicContact CB-CB 4.28Å; H255-R259 VanDerWaalsContact CA-O 3.23Å; H255-R259 WeakPolarHBondContact CA-O 3.46Å; H255-R259 WeakPolarHBondContact CB-O 3.4Å; H255-I260 HydrophobicContact CB-CG1 4.04Å; H255-L413 VanDerWaalsContact NE2-CD1 3.3Å; H255-L413 WeakPolarHBondContact NE2-CD1 3.46Å
256	I	98.9	Very high	98.9	Very high	10 Å²	10	8.5 Å²	8.5	5%	0.051	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	127.6	163.1	-61.7	-62.7	0	0	0	107.3	D168 Q171 A172 I208 N214 A215 G258 R259	D168-I256 HydrophobicContact CB-CB 4.09Å; D168-I256 HydrophobicContact CB-CG2 4Å; D168-I256 WeakPolarHBondContact OD1-CG2 3.32Å; Q171-I256 HydrophobicContact CB-CG1 4.05Å; Q171-I256 HydrophobicContact CG-CD1 4.35Å; Q171-I256 HydrophobicContact CG-CG1 4Å; A172-I256 HydrophobicContact CB-CG1 4.43Å; I208-I256 HydrophobicContact CD1-CD1 3.67Å; I208-I256 HydrophobicContact CD1-CG1 3.99Å; I208-I256 HydrophobicContact CG1-CD1 3.92Å; N214-I256 CarbonylContact O-C 3.59Å; A215-I256 HydrophobicContact CB-CD1 3.55Å; I256-G258 PolarHBondContact O-N 2.87Å; I256-R259 PolarHBondContact N-O 3.24Å; I256-R259 WeakPolarHBondContact O-CA 3.42Å; I256-R259 VanDerWaalsContact O-CB 3.25Å; I256-R259 WeakPolarHBondContact O-CB 3.47Å; I256-R259 WeakPolarHBondContact O-CG 3.48Å; I256-R259 PolarHBondContact O-N 3.23Å
257	N	98.8	Very high	98.9	Very high	58 Å²	58	8.9 Å²	8.9	31%	0.31	4%	0.044	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	34.9	-178.8	-56.6	-43.6	0	0	0	113.9	D168 N214 R259 Q335 Y336	D168-N257 PolarHBondContact OD2-ND2 3.18Å; N214-N257 PolarHBondContact O-N 3.45Å; N257-R259 VanDerWaalsContact C-N 3.29Å; N257-R259 PolarHBondContact O-N 2.92Å; N257-Q335 WeakPolarHBondContact O-CG 3.39Å; N257-Q335 PolarHBondContact O-NE2 3.02Å; N257-Y336 WeakPolarHBondContact CA-OH 3.16Å
258	G	98.8	Very high	98.9	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	8	-176.6	0	0	0	0	0	115.4	I256 I260 Q335 Y336	I256-G258 PolarHBondContact O-N 2.87Å; G258-I260 PolarHBondContact O-N 3.43Å; G258-Q335 WeakPolarHBondContact O-CA 3.5Å; G258-Y336 VanDerWaalsContact CA-CD1 3.41Å; G258-Y336 VanDerWaalsContact N-CE1 3.33Å; G258-Y336 VanDerWaalsContact N-CZ 3.27Å; G258-Y336 PolarHBondContact N-OH 3.46Å; G258-Y336 PolarHBondContact O-N 2.93Å
259	R	98.9	Very high	98.9	Very high	54 Å²	54	12.6 Å²	12.6	20%	0.204	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	99.9	168.9	-53	-50.1	176.7	-179.6	-1.2	108.7	V165 D168 F169 H255 I256 N257	V165-R259 HydrophobicContact CG1-CG 4.47Å; D168-R259 HydrophobicContact CB-CB 4.04Å; D168-R259 HydrophobicContact CB-CG 3.73Å; F169-R259 HydrophobicContact CD1-CB 3.88Å; F169-R259 HydrophobicContact CD2-CB 3.91Å; F169-R259 HydrophobicContact CD2-CG 4.27Å; F169-R259 HydrophobicContact CE1-CB 3.82Å; F169-R259 HydrophobicContact CE2-CB 3.84Å; F169-R259 HydrophobicContact CE2-CG 4.05Å; F169-R259 HydrophobicContact CG-CB 3.91Å; F169-R259 HydrophobicContact CZ-CB 3.79Å; F169-R259 HydrophobicContact CZ-CG 4.33Å; H255-R259 VanDerWaalsContact CA-O 3.23Å; H255-R259 WeakPolarHBondContact CA-O 3.46Å; H255-R259 WeakPolarHBondContact CB-O 3.4Å; I256-R259 PolarHBondContact N-O 3.24Å; I256-R259 WeakPolarHBondContact O-CA 3.42Å; I256-R259 VanDerWaalsContact O-CB 3.25Å; I256-R259 WeakPolarHBondContact O-CB 3.47Å; I256-R259 WeakPolarHBondContact O-CG 3.48Å; I256-R259 PolarHBondContact O-N 3.23Å; N257-R259 VanDerWaalsContact C-N 3.29Å; N257-R259 PolarHBondContact O-N 2.92Å
260	I	98.9	Very high	98.9	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	133.6	-168.1	-61.6	161.7	0	0	0	110.5	F169 A218 F219 H255 G258 I333 I338 L413	F169-I260 WeakPolarHBondContact CD1-O 3.37Å; F169-I260 WeakPolarHBondContact CE1-O 3.4Å; A218-I260 HydrophobicContact CB-CB 4.22Å; A218-I260 HydrophobicContact CB-CD1 4.49Å; A218-I260 HydrophobicContact CB-CG1 3.91Å; A218-I260 HydrophobicContact CB-CG2 3.45Å; A218-I260 VanDerWaalsContact CB-CG2 3.45Å; F219-I260 HydrophobicContact CE1-CG2 4.32Å; H255-I260 HydrophobicContact CB-CG1 4.04Å; G258-I260 PolarHBondContact O-N 3.43Å; I260-I333 HydrophobicContact CB-CG2 4.02Å; I260-I333 HydrophobicContact CD1-CG2 4.48Å; I260-I338 HydrophobicContact CD1-CD1 4.27Å; I260-I338 HydrophobicContact CG2-CD1 3.6Å; I260-L413 HydrophobicContact CD1-CD2 3.76Å; I260-L413 HydrophobicContact CG1-CD2 4.23Å
261	I	98.9	Very high	98.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	119.2	160.1	-65.1	-63.9	0	0	0	108	F169 A172 A173 H176 G253 T254 C263 T461 V472	F169-I261 HydrophobicContact CB-CD1 4.33Å; F169-I261 HydrophobicContact CD1-CD1 3.96Å; A172-I261 HydrophobicContact CB-CB 4.36Å; A172-I261 HydrophobicContact CB-CG1 3.64Å; A173-I261 HydrophobicContact CB-CD1 3.86Å; A173-I261 HydrophobicContact CB-CG1 3.92Å; H176-I261 HydrophobicContact CB-CG2 4.07Å; G253-I261 WeakPolarHBondContact CA-O 3.37Å; T254-I261 PolarHBondContact N-O 2.83Å; T254-I261 PolarHBondContact O-N 3.24Å; I261-C263 HydrophobicContact CG2-CB 4.09Å; I261-T461 HydrophobicContact CD1-CG2 4.04Å; I261-V472 HydrophobicContact CD1-CG1 3.53Å; I261-V472 HydrophobicContact CD1-CG2 4.45Å
262	D	98.9	Very high	98.8	Very high	8 Å²	8	19 Å²	19	4%	0.043	10%	0.099	C	C	.	.			trans	-109.7	120	170.1	-158.5	-11	0	0	0	109	F219 H331 I333 I338 A362 T461	F219-D262 HydrophobicContact CE1-CB 4.1Å; F219-D262 WeakPolarHBondContact CE1-OD1 3.47Å; F219-D262 HydrophobicContact CZ-CB 4.36Å; F219-D262 WeakPolarHBondContact CZ-OD1 3.4Å; D262-H331 IonicContact OD2-CE1 3.79Å; D262-H331 PolarHBondContact OD2-CE1 2.86Å; D262-H331 IonicContact OD2-NE2 3.93Å; D262-H331 PolarHBondContact OD2-NE2 3.34Å; D262-I333 HydrophobicContact CB-CD1 3.86Å; D262-I338 HydrophobicContact CB-CD1 4.18Å; D262-I338 VanDerWaalsContact OD2-CD1 3.26Å; D262-I338 WeakPolarHBondContact OD2-CD1 3.24Å; D262-A362 HydrophobicContact CB-CB 4.11Å; D262-T461 PolarHBondContact N-OG1 3.39Å; D262-T461 PolarHBondContact O-N 3Å; D262-T461 PolarHBondContact O-OG1 3.16Å
263	C	98.9	Very high	98.8	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.099	C	C	.	.			trans	-165.7	129.6	-168.9	-172.1	0	0	0	0	110.8	H176 R180 I261 E459 Y478	H176-C263 VanDerWaalsContact CE1-CB 3.42Å; H176-C263 WeakPolarHBondContact CE1-CB 3.28Å; H176-C263 PolarHBondContact CE1-O 3.18Å; H176-C263 PolarHBondContact NE2-O 2.95Å; R180-C263 PolarHBondContact NH1-SG 2.87Å; I261-C263 HydrophobicContact CG2-CB 4.09Å; C263-E459 PolarHBondContact SG-O 3.26Å; C263-Y478 PolarHBondContact SG-OH 3.38Å
264	A	98.9	Very high	98.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	155.9	-171	0	0	0	0	0	111.6	I250 D251 Q457 E459 Y478	I250-A264 VanDerWaalsContact O-CA 3.31Å; I250-A264 WeakPolarHBondContact O-CA 3.36Å; D251-A264 HydrophobicContact CB-CB 3.73Å; A264-Q457 HydrophobicContact CB-CG 4.23Å; A264-E459 HydrophobicContact CB-CB 3.91Å; A264-E459 PolarHBondContact N-O 3.27Å; A264-E459 PolarHBondContact O-N 2.94Å; A264-E459 VanDerWaalsContact O-N 3.13Å; A264-Y478 VanDerWaalsContact O-CE2 3.24Å; A264-Y478 WeakPolarHBondContact O-CE2 3.46Å; A264-Y478 PolarHBondContact O-OH 2.99Å
265	F	98.9	Very high	98.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	151	173	63.7	-76.1	0	0	0	111.2	R180 V183 R184 I250 F252 V267 F458 Y478	R180-F265 HydrophobicContact CB-CD1 4.38Å; R180-F265 HydrophobicContact CB-CE1 3.62Å; R180-F265 HydrophobicContact CB-CZ 4.13Å; V183-F265 HydrophobicContact CG1-CZ 4.31Å; R184-F265 HydrophobicContact CG-CE2 3.77Å; R184-F265 HydrophobicContact CG-CZ 4.18Å; I250-F265 HydrophobicContact CB-CD1 4.33Å; I250-F265 HydrophobicContact CB-CE1 3.84Å; I250-F265 HydrophobicContact CB-CE2 4.31Å; I250-F265 HydrophobicContact CB-CZ 3.84Å; I250-F265 HydrophobicContact CG1-CE2 4.47Å; I250-F265 HydrophobicContact CG1-CZ 4.26Å; I250-F265 HydrophobicContact CG2-CE1 3.71Å; I250-F265 HydrophobicContact CG2-CZ 3.87Å; I250-F265 PolarHBondContact N-O 3.44Å; I250-F265 PolarHBondContact O-N 3.08Å; F252-F265 HydrophobicContact CE1-CE1 4.4Å; F265-V267 HydrophobicContact CD2-CG2 3.59Å; F265-V267 HydrophobicContact CE2-CG2 3.28Å; F265-V267 HydrophobicContact CZ-CG2 4.32Å; F265-F458 HydrophobicContact CB-CD1 4.26Å; F265-F458 HydrophobicContact CB-CE1 4.07Å; F265-Y478 HydrophobicContact CB-CD1 4.22Å; F265-Y478 HydrophobicContact CB-CE1 3.74Å; F265-Y478 HydrophobicContact CB-CE2 4.28Å; F265-Y478 HydrophobicContact CD1-CE1 4.04Å; F265-Y478 HydrophobicContact CG-CE1 4.03Å
266	T	98.9	Very high	98.8	Very high	6 Å²	6	27.1 Å²	27.1	4%	0.037	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	140.9	174.1	-58.2	0	0	0	0	111.1	V247 C248 K249 T268 L277 A456 Q457	V247-T266 HydrophobicContact CG1-CG2 3.47Å; V247-T266 VanDerWaalsContact CG1-CG2 3.47Å; C248-T266 CarbonylContact O-C 3.48Å; C248-T266 WeakPolarHBondContact O-CA 3.35Å; K249-T266 HydrophobicContact CD-CG2 4.5Å; T266-T268 HydrophobicContact CG2-CG2 4.38Å; T266-L277 HydrophobicContact CG2-CD1 3.83Å; T266-L277 HydrophobicContact CG2-CD2 4.14Å; T266-L277 HydrophobicContact CG2-CG 3.95Å; T266-A456 HydrophobicContact CG2-CB 4Å; T266-Q457 PolarHBondContact N-O 3Å; T266-Q457 PolarHBondContact OG1-N 3.22Å; T266-Q457 PolarHBondContact OG1-O 3.28Å
267	V	98.5	Very high	98.8	Very high	22 Å²	22	27.7 Å²	27.7	13%	0.133	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	133.7	173.9	-170.9	0	0	0	0	110.3	L187 C248 I250 F265 F269	L187-V267 HydrophobicContact CD2-CB 3.72Å; L187-V267 HydrophobicContact CD2-CG1 3.47Å; L187-V267 VanDerWaalsContact CD2-CG1 3.47Å; L187-V267 HydrophobicContact CD2-CG2 3.86Å; C248-V267 PolarHBondContact N-O 3Å; C248-V267 PolarHBondContact O-N 3.33Å; I250-V267 HydrophobicContact CG1-CG2 4.07Å; F265-V267 HydrophobicContact CD2-CG2 3.59Å; F265-V267 HydrophobicContact CE2-CG2 3.28Å; F265-V267 HydrophobicContact CZ-CG2 4.32Å; V267-F269 HydrophobicContact CG1-CE1 4.38Å; V267-F269 HydrophobicContact CG1-CZ 4.19Å
268	T	98.8	Very high	98.8	Very high	26 Å²	26	29 Å²	29	16%	0.16	15%	0.145	C	C	.	.			trans	-137.3	155.4	175.7	52.3	0	0	0	0	109	V247 T266 Y273 L277	V247-T268 HydrophobicContact CB-CG2 4.23Å; V247-T268 HydrophobicContact CG1-CG2 3.96Å; V247-T268 HydrophobicContact CG2-CG2 4Å; T266-T268 HydrophobicContact CG2-CG2 4.38Å; T268-Y273 HydrophobicContact CG2-CD2 3.85Å; T268-Y273 HydrophobicContact CG2-CG 4.05Å; T268-L277 HydrophobicContact CG2-CD1 3.79Å; T268-L277 HydrophobicContact CG2-CD2 4.26Å
269	F	98.7	Very high	98.8	Very high	53 Å²	53	29 Å²	29	23%	0.232	15%	0.145	C	C	.	.	S	Bend	trans	-115.4	-21	173.6	-52.4	-78.2	0	0	0	112.5	L187 P189 L242 Y244 V267	L187-F269 HydrophobicContact CD2-CZ 4.09Å; L187-F269 HydrophobicContact CG-CZ 4.29Å; L187-F269 WeakPolarHBondContact O-CE1 3.42Å; P189-F269 HydrophobicContact CG-CB 4.33Å; P189-F269 HydrophobicContact CG-CD1 4.3Å; P189-F269 HydrophobicContact CG-CD2 3.5Å; P189-F269 VanDerWaalsContact CG-CD2 3.5Å; P189-F269 HydrophobicContact CG-CE2 3.79Å; P189-F269 HydrophobicContact CG-CG 3.77Å; P189-F269 HydrophobicContact CG-CZ 4.31Å; L242-F269 HydrophobicContact CD1-CE2 4.37Å; L242-F269 HydrophobicContact CD2-CE2 3.63Å; L242-F269 HydrophobicContact CD2-CZ 3.81Å; L242-F269 HydrophobicContact CG-CE2 3.93Å; Y244-F269 HydrophobicContact CD2-CB 3.63Å; Y244-F269 HydrophobicContact CE2-CB 3.75Å; Y244-F269 VanDerWaalsContact CE2-O 3.27Å; Y244-F269 WeakPolarHBondContact CE2-O 3.27Å; Y244-F269 PolarHBondContact OH-O 3.03Å; V267-F269 HydrophobicContact CG1-CE1 4.38Å; V267-F269 HydrophobicContact CG1-CZ 4.19Å
270	N	98.6	Very high	98.8	Very high	28 Å²	28	26.4 Å²	26.4	15%	0.15	14%	0.136	C	C	.	.	S	Bend	trans	-92.5	120.4	172.1	-167.5	-28.4	0	0	0	110	Y244 D245 K272 Y273	Y244-N270 HydrophobicContact CD1-CB 4.26Å; Y244-N270 HydrophobicContact CE1-CB 3.69Å; D245-N270 PolarHBondContact OD1-ND2 3.02Å; N270-K272 HydrophobicContact CB-CG 4.2Å; N270-K272 PolarHBondContact O-N 3.39Å; N270-K272 WeakPolarHBondContact OD1-CG 3.41Å; N270-K272 PolarHBondContact OD1-N 3.47Å; N270-K272 VanDerWaalsContact OD1-N 3.09Å; N270-Y273 HydrophobicContact CB-CD2 4.21Å; N270-Y273 HydrophobicContact CB-CE2 4.11Å; N270-Y273 WeakPolarHBondContact O-CD2 3.36Å; N270-Y273 PolarHBondContact O-N 3.07Å
271	P	98.5	Very high	98.8	Very high	78 Å²	78	29.3 Å²	29.3	51%	0.506	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-65.5	-9.6	-178.7	27.4	-36.2	0	0	0	113.8	Y273 D274	P271-Y273 PolarHBondContact O-N 3.47Å; P271-D274 WeakPolarHBondContact CA-OD1 3.03Å; P271-D274 WeakPolarHBondContact CB-OD2 3.08Å; P271-D274 WeakPolarHBondContact O-CB 3.33Å; P271-D274 PolarHBondContact O-N 3.31Å
272	K	98.3	Very high	98.8	Very high	50 Å²	50	32.2 Å²	32.2	22%	0.217	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-55.3	-24.9	174.5	73.9	-179	178.5	171.3	0	113	D245 N270 L315 D316	D245-K272 IonicContact OD1-NZ 2.97Å; N270-K272 HydrophobicContact CB-CG 4.2Å; N270-K272 PolarHBondContact O-N 3.39Å; N270-K272 WeakPolarHBondContact OD1-CG 3.41Å; N270-K272 PolarHBondContact OD1-N 3.47Å; N270-K272 VanDerWaalsContact OD1-N 3.09Å; K272-L315 HydrophobicContact CB-CD2 4.18Å; K272-L315 HydrophobicContact CG-CD2 4.08Å; K272-L315 WeakPolarHBondContact O-CD2 3.37Å; K272-D316 VanDerWaalsContact NZ-CG 3.34Å; K272-D316 IonicContact NZ-OD1 3.77Å; K272-D316 PolarHBondContact NZ-OD1 2.68Å; K272-D316 IonicContact NZ-OD2 3.92Å; K272-D316 PolarHBondContact NZ-OD2 3.45Å
273	Y	98.8	Very high	98.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-89.5	-5.5	179.8	-57	-64.8	0	0	0	114.5	D245 V247 T268 N270 P271 K275 L276 L277 L315 Y454	D245-Y273 PolarHBondContact O-OH 2.89Å; V247-Y273 HydrophobicContact CG2-CD1 3.6Å; V247-Y273 HydrophobicContact CG2-CD2 3.78Å; V247-Y273 HydrophobicContact CG2-CE1 3.61Å; V247-Y273 HydrophobicContact CG2-CE2 3.79Å; V247-Y273 HydrophobicContact CG2-CG 3.69Å; T268-Y273 HydrophobicContact CG2-CD2 3.85Å; T268-Y273 HydrophobicContact CG2-CG 4.05Å; N270-Y273 HydrophobicContact CB-CD2 4.21Å; N270-Y273 HydrophobicContact CB-CE2 4.11Å; N270-Y273 WeakPolarHBondContact O-CD2 3.36Å; N270-Y273 PolarHBondContact O-N 3.07Å; P271-Y273 PolarHBondContact O-N 3.47Å; Y273-K275 PolarHBondContact O-N 2.66Å; Y273-K275 VanDerWaalsContact O-N 3.16Å; Y273-L276 WeakPolarHBondContact O-CA 3.47Å; Y273-L276 WeakPolarHBondContact O-CB 3.47Å; Y273-L276 PolarHBondContact O-N 3.36Å; Y273-L277 WeakPolarHBondContact O-CD1 3.31Å; Y273-L277 PolarHBondContact O-N 3.28Å; Y273-L315 HydrophobicContact CD1-CD1 4.19Å; Y273-L315 HydrophobicContact CD1-CD2 3.9Å; Y273-L315 HydrophobicContact CE1-CD1 4.2Å; Y273-L315 HydrophobicContact CE1-CD2 4.19Å; Y273-Y454 HydrophobicContact CD1-CG 4.42Å; Y273-Y454 AromaticContact CE1-CD1 3.59Å; Y273-Y454 HydrophobicContact CE1-CD1 3.59Å; Y273-Y454 AromaticContact CE1-CD2 3.89Å; Y273-Y454 HydrophobicContact CE1-CD2 3.89Å; Y273-Y454 AromaticContact CE1-CE1 3.73Å; Y273-Y454 HydrophobicContact CE1-CE1 3.73Å; Y273-Y454 AromaticContact CE1-CE2 4Å; Y273-Y454 HydrophobicContact CE1-CE2 4Å; Y273-Y454 AromaticContact CE1-CG 3.66Å; Y273-Y454 HydrophobicContact CE1-CG 3.66Å; Y273-Y454 AromaticContact CE1-CZ 3.91Å; Y273-Y454 AromaticContact CZ-CD1 3.93Å; Y273-Y454 AromaticContact CZ-CE1 3.72Å; Y273-Y454 WeakPolarHBondContact OH-CE1 3.27Å; Y273-Y454 VanDerWaalsContact OH-CZ 3.28Å; Y273-Y454 PolarHBondContact OH-OH 2.98Å
274	D	98.8	Very high	98.8	Very high	89 Å²	89	31.9 Å²	31.9	48%	0.476	16%	0.163	S	C	.	.	H	α-helix	trans	-55.3	-41.4	-171.6	-70.4	-8.8	0	0	0	112.1	P271 L276 L277 E278	P271-D274 WeakPolarHBondContact CA-OD1 3.03Å; P271-D274 WeakPolarHBondContact CB-OD2 3.08Å; P271-D274 WeakPolarHBondContact O-CB 3.33Å; P271-D274 PolarHBondContact O-N 3.31Å; D274-L276 VanDerWaalsContact C-N 3.33Å; D274-L276 PolarHBondContact O-N 3.06Å; D274-L277 PolarHBondContact O-N 2.9Å; D274-E278 WeakPolarHBondContact O-CB 3.31Å; D274-E278 PolarHBondContact O-N 3.01Å
275	K	98.8	Very high	98.8	Very high	88 Å²	88	34.2 Å²	34.2	38%	0.383	18%	0.175	S	C	.	.	H	α-helix	trans	-70.6	-28.1	-179.7	-159.8	58.1	170.3	-179.9	0	113.4	Y273 E278 A279 Y311 V313	Y273-K275 PolarHBondContact O-N 2.66Å; Y273-K275 VanDerWaalsContact O-N 3.16Å; K275-E278 HydrophobicContact CD-CB 4.49Å; K275-E278 WeakPolarHBondContact CD-OE2 3.29Å; K275-E278 WeakPolarHBondContact CE-OE2 3.42Å; K275-E278 IonicContact NZ-OE1 2.7Å; K275-E278 PolarHBondContact NZ-OE1 3.46Å; K275-E278 IonicContact NZ-OE2 2.71Å; K275-E278 PolarHBondContact NZ-OE2 3.33Å; K275-A279 WeakPolarHBondContact O-CB 3.4Å; K275-A279 PolarHBondContact O-N 3.46Å; K275-A279 VanDerWaalsContact O-N 3.11Å; K275-Y311 HydrophobicContact CD-CD1 4.18Å; K275-Y311 HydrophobicContact CD-CE1 4.46Å; K275-Y311 HydrophobicContact CG-CD1 4.5Å; K275-V313 HydrophobicContact CB-CG1 3.88Å; K275-V313 HydrophobicContact CG-CG1 4.01Å
276	L	98.9	Very high	98.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-69.6	-43	171.6	174.2	64	0	0	0	110.4	Y273 D274 A279 V280 V313 V322 A456	Y273-L276 WeakPolarHBondContact O-CA 3.47Å; Y273-L276 WeakPolarHBondContact O-CB 3.47Å; Y273-L276 PolarHBondContact O-N 3.36Å; D274-L276 VanDerWaalsContact C-N 3.33Å; D274-L276 PolarHBondContact O-N 3.06Å; L276-A279 PolarHBondContact O-N 2.81Å; L276-V280 WeakPolarHBondContact O-CG2 3.48Å; L276-V280 PolarHBondContact O-N 3.16Å; L276-V313 HydrophobicContact CB-CG1 4.25Å; L276-V322 HydrophobicContact CD1-CG1 3.78Å; L276-V322 HydrophobicContact CD1-CG2 4.04Å; L276-A456 HydrophobicContact CD2-CB 4.29Å; L276-A456 HydrophobicContact CG-CB 4.02Å
277	L	98.9	Very high	98.8	Very high	22 Å²	22	34.9 Å²	34.9	12%	0.115	18%	0.179	C	C	.	.	H	α-helix	trans	-64.6	-43.7	176.7	-87	66.1	0	0	0	111.2	T266 T268 Y273 D274 A279 V280 Q281 A456 F458	T266-L277 HydrophobicContact CG2-CD1 3.83Å; T266-L277 HydrophobicContact CG2-CD2 4.14Å; T266-L277 HydrophobicContact CG2-CG 3.95Å; T268-L277 HydrophobicContact CG2-CD1 3.79Å; T268-L277 HydrophobicContact CG2-CD2 4.26Å; Y273-L277 WeakPolarHBondContact O-CD1 3.31Å; Y273-L277 PolarHBondContact O-N 3.28Å; D274-L277 PolarHBondContact O-N 2.9Å; L277-A279 PolarHBondContact O-N 3.5Å; L277-V280 PolarHBondContact O-N 3.4Å; L277-Q281 WeakPolarHBondContact O-CB 3.11Å; L277-Q281 PolarHBondContact O-N 3.45Å; L277-A456 HydrophobicContact CD1-CB 4.22Å; L277-F458 HydrophobicContact CB-CE2 4.14Å; L277-F458 HydrophobicContact CG-CE2 4.24Å; L277-F458 WeakPolarHBondContact O-CE2 3.44Å
278	E	98.9	Very high	98.8	Very high	85 Å²	85	34 Å²	34	40%	0.397	17%	0.174	S	C	.	.	H	α-helix	trans	-57.5	-47.4	176.5	-171	-172.4	153.9	0	0	111.4	D274 K275 V280 Q281 D282 Y311	D274-E278 WeakPolarHBondContact O-CB 3.31Å; D274-E278 PolarHBondContact O-N 3.01Å; K275-E278 HydrophobicContact CD-CB 4.49Å; K275-E278 WeakPolarHBondContact CD-OE2 3.29Å; K275-E278 WeakPolarHBondContact CE-OE2 3.42Å; K275-E278 IonicContact NZ-OE1 2.7Å; K275-E278 PolarHBondContact NZ-OE1 3.46Å; K275-E278 IonicContact NZ-OE2 2.71Å; K275-E278 PolarHBondContact NZ-OE2 3.33Å; E278-V280 VanDerWaalsContact C-N 3.34Å; E278-V280 PolarHBondContact O-N 2.71Å; E278-Q281 PolarHBondContact O-N 3.17Å; E278-D282 WeakPolarHBondContact O-CB 3.29Å; E278-D282 PolarHBondContact O-N 3.25Å; E278-Y311 HydrophobicContact CB-CE1 4.47Å; E278-Y311 HydrophobicContact CG-CE1 3.99Å
279	A	98.9	Very high	98.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-56.5	-47.1	178	0	0	0	0	0	112.3	K275 L276 L277 A283 M308 Y311 V322	K275-A279 WeakPolarHBondContact O-CB 3.4Å; K275-A279 PolarHBondContact O-N 3.46Å; K275-A279 VanDerWaalsContact O-N 3.11Å; L276-A279 PolarHBondContact O-N 2.81Å; L277-A279 PolarHBondContact O-N 3.5Å; A279-A283 VanDerWaalsContact O-CB 3.29Å; A279-A283 WeakPolarHBondContact O-CB 3.47Å; A279-A283 PolarHBondContact O-N 2.79Å; A279-M308 HydrophobicContact CB-SD 4.37Å; A279-Y311 VanDerWaalsContact CB-CB 3.5Å; A279-Y311 HydrophobicContact CB-CD1 3.71Å; A279-Y311 HydrophobicContact CB-CD2 3.8Å; A279-Y311 HydrophobicContact CB-CE1 4.4Å; A279-Y311 HydrophobicContact CB-CE2 4.47Å; A279-Y311 HydrophobicContact CB-CG 3.39Å; A279-V322 HydrophobicContact CB-CB 4.36Å; A279-V322 HydrophobicContact CB-CG1 4.3Å; A279-V322 HydrophobicContact CB-CG2 4.01Å
280	V	98.9	Very high	98.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-72.4	-38	-178.3	-179.4	0	0	0	0	111.8	L276 L277 E278 T284 M308 T365 G367 A456 F458	L276-V280 WeakPolarHBondContact O-CG2 3.48Å; L276-V280 PolarHBondContact O-N 3.16Å; L277-V280 PolarHBondContact O-N 3.4Å; E278-V280 VanDerWaalsContact C-N 3.34Å; E278-V280 PolarHBondContact O-N 2.71Å; V280-T284 WeakPolarHBondContact O-CB 3.46Å; V280-T284 PolarHBondContact O-N 3.17Å; V280-T284 PolarHBondContact O-OG1 2.78Å; V280-M308 HydrophobicContact CB-CE 4.28Å; V280-M308 HydrophobicContact CB-SD 4.29Å; V280-M308 HydrophobicContact CG1-CE 4.25Å; V280-M308 HydrophobicContact CG2-CE 3.98Å; V280-M308 HydrophobicContact CG2-SD 3.69Å; V280-T365 VanDerWaalsContact CG1-O 3.27Å; V280-T365 WeakPolarHBondContact CG1-O 3.21Å; V280-T365 PolarHBondContact O-OG1 3.3Å; V280-G367 VanDerWaalsContact CG2-CA 3.49Å; V280-A456 HydrophobicContact CB-CB 4.39Å; V280-A456 HydrophobicContact CG2-CB 3.95Å; V280-F458 HydrophobicContact CB-CD2 4.22Å; V280-F458 HydrophobicContact CG1-CB 4.48Å; V280-F458 HydrophobicContact CG1-CD2 4.05Å
281	Q	98.9	Very high	98.8	Very high	60 Å²	60	39.2 Å²	39.2	28%	0.28	20%	0.196	S	C	.	.	H	α-helix	trans	-65.4	-42.1	176.2	-168.7	177.7	4.3	0	0	111.3	L277 E278 T284 N285 F458 Y478	L277-Q281 WeakPolarHBondContact O-CB 3.11Å; L277-Q281 PolarHBondContact O-N 3.45Å; E278-Q281 PolarHBondContact O-N 3.17Å; Q281-T284 PolarHBondContact O-N 3.31Å; Q281-N285 WeakPolarHBondContact O-CB 3.27Å; Q281-N285 PolarHBondContact O-N 3.49Å; Q281-N285 PolarHBondContact O-ND2 3.31Å; Q281-F458 HydrophobicContact CB-CD1 4.34Å; Q281-F458 HydrophobicContact CB-CD2 3.73Å; Q281-F458 HydrophobicContact CB-CE1 4.39Å; Q281-F458 HydrophobicContact CB-CE2 3.81Å; Q281-F458 HydrophobicContact CB-CG 4.01Å; Q281-F458 HydrophobicContact CB-CZ 4.14Å; Q281-F458 HydrophobicContact CG-CD1 4.09Å; Q281-F458 HydrophobicContact CG-CD2 4.37Å; Q281-F458 HydrophobicContact CG-CE1 4.18Å; Q281-F458 HydrophobicContact CG-CE2 4.47Å; Q281-F458 HydrophobicContact CG-CG 4.18Å; Q281-F458 HydrophobicContact CG-CZ 4.36Å; Q281-Y478 VanDerWaalsContact NE2-CB 3.31Å
282	D	98.9	Very high	98.7	Very high	61 Å²	61	35.5 Å²	35.5	33%	0.326	17%	0.172	S	C	.	.	H	α-helix	trans	-67.1	-42.8	177.4	-167.7	24.2	0	0	0	111.8	E278 T284 N285 T286 V307 Y311	E278-D282 WeakPolarHBondContact O-CB 3.29Å; E278-D282 PolarHBondContact O-N 3.25Å; D282-T284 VanDerWaalsContact C-N 3.34Å; D282-T284 PolarHBondContact O-N 3.35Å; D282-N285 PolarHBondContact O-N 2.81Å; D282-T286 WeakPolarHBondContact O-CB 3.22Å; D282-T286 PolarHBondContact O-N 3.02Å; D282-T286 PolarHBondContact O-OG1 2.96Å; D282-V307 HydrophobicContact CB-CG1 4.11Å; D282-V307 WeakPolarHBondContact OD2-CG1 3.42Å; D282-Y311 HydrophobicContact CB-CE2 4.27Å; D282-Y311 PolarHBondContact OD2-OH 3.13Å
283	A	98.9	Very high	98.7	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-60.7	-42.6	174	0	0	0	0	0	112.1	A279 T286 G287 I304 V307 M308	A279-A283 VanDerWaalsContact O-CB 3.29Å; A279-A283 WeakPolarHBondContact O-CB 3.47Å; A279-A283 PolarHBondContact O-N 2.79Å; A283-T286 WeakPolarHBondContact O-CB 3.39Å; A283-T286 PolarHBondContact O-N 2.89Å; A283-G287 PolarHBondContact O-N 3.37Å; A283-I304 HydrophobicContact CB-CG2 4.29Å; A283-V307 HydrophobicContact CB-CG1 4.47Å; A283-M308 HydrophobicContact CB-CB 3.93Å; A283-M308 HydrophobicContact CB-CE 3.38Å; A283-M308 HydrophobicContact CB-CG 4.49Å; A283-M308 HydrophobicContact CB-SD 3.83Å
284	T	98.9	Very high	98.5	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.012	19%	0.189	C	C	.	.	H	α-helix	trans	-61.5	-47.3	174.7	-55.6	0	0	0	0	111.4	V280 Q281 D282 T286 G287 I288 I363 T365 F458	V280-T284 WeakPolarHBondContact O-CB 3.46Å; V280-T284 PolarHBondContact O-N 3.17Å; V280-T284 PolarHBondContact O-OG1 2.78Å; Q281-T284 PolarHBondContact O-N 3.31Å; D282-T284 VanDerWaalsContact C-N 3.34Å; D282-T284 PolarHBondContact O-N 3.35Å; T284-T286 VanDerWaalsContact C-N 3.27Å; T284-T286 PolarHBondContact O-N 2.96Å; T284-G287 PolarHBondContact O-N 3.14Å; T284-G287 VanDerWaalsContact O-N 3.15Å; T284-I288 HydrophobicContact CG2-CD1 4.14Å; T284-I288 WeakPolarHBondContact O-CG1 3.22Å; T284-I288 PolarHBondContact O-N 3.41Å; T284-I363 WeakPolarHBondContact CG2-O 3.35Å; T284-T365 PolarHBondContact OG1-OG1 3.1Å; T284-F458 HydrophobicContact CG2-CB 4.21Å; T284-F458 WeakPolarHBondContact CG2-O 3.41Å; T284-F458 WeakPolarHBondContact OG1-CB 3.22Å; T284-F458 PolarHBondContact OG1-O 3.34Å
285	N	98.9	Very high	98.4	Very high	48 Å²	48	35.3 Å²	35.3	26%	0.257	17%	0.174	S	C	.	.	H	α-helix	trans	-65	-32.1	177.6	-78.3	-36.6	0	0	0	112.5	Q281 D282 I288 K289 R474	Q281-N285 WeakPolarHBondContact O-CB 3.27Å; Q281-N285 PolarHBondContact O-N 3.49Å; Q281-N285 PolarHBondContact O-ND2 3.31Å; D282-N285 PolarHBondContact O-N 2.81Å; N285-I288 PolarHBondContact O-N 3.17Å; N285-K289 VanDerWaalsContact O-CB 3.29Å; N285-K289 WeakPolarHBondContact O-CB 3.37Å; N285-K289 PolarHBondContact O-N 3.33Å; N285-R474 VanDerWaalsContact OD1-CZ 3.31Å; N285-R474 PolarHBondContact OD1-NH1 3.28Å; N285-R474 PolarHBondContact OD1-NH2 3.45Å
286	T	98.9	Very high	98.4	Very high	20 Å²	20	35 Å²	35	12%	0.123	17%	0.171	C	C	.	.	H	α-helix	trans	-65.5	-45.4	171.7	-66.2	0	0	0	0	110.9	D282 A283 T284 I288 K289 N290 A303 V307	D282-T286 WeakPolarHBondContact O-CB 3.22Å; D282-T286 PolarHBondContact O-N 3.02Å; D282-T286 PolarHBondContact O-OG1 2.96Å; A283-T286 WeakPolarHBondContact O-CB 3.39Å; A283-T286 PolarHBondContact O-N 2.89Å; T284-T286 VanDerWaalsContact C-N 3.27Å; T284-T286 PolarHBondContact O-N 2.96Å; T286-I288 PolarHBondContact O-N 3.28Å; T286-K289 PolarHBondContact O-N 3.46Å; T286-N290 WeakPolarHBondContact CG2-ND2 3.45Å; T286-N290 WeakPolarHBondContact O-CB 3.34Å; T286-N290 PolarHBondContact O-N 3.37Å; T286-N290 PolarHBondContact O-ND2 3.14Å; T286-A303 HydrophobicContact CG2-CB 4.06Å; T286-V307 HydrophobicContact CG2-CB 4.37Å; T286-V307 HydrophobicContact CG2-CG2 3.75Å
287	G	98.8	Very high	98.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-55.9	-48.9	171.7	0	0	0	0	0	112.2	A283 T284 K289 N290 A291	A283-G287 PolarHBondContact O-N 3.37Å; T284-G287 PolarHBondContact O-N 3.14Å; T284-G287 VanDerWaalsContact O-N 3.15Å; G287-K289 PolarHBondContact O-N 3.27Å; G287-N290 PolarHBondContact O-N 2.97Å; G287-A291 WeakPolarHBondContact O-CB 3.49Å; G287-A291 PolarHBondContact O-N 3.07Å
288	I	98.8	Very high	98.3	Very high	5 Å²	5	35 Å²	35	3%	0.026	17%	0.171	C	C	.	.	H	α-helix	trans	-59.9	-45.6	177.6	-68.5	165.7	0	0	0	110.8	T284 N285 T286 N290 A291 I363 H460 I462 K469 V471	T284-I288 HydrophobicContact CG2-CD1 4.14Å; T284-I288 WeakPolarHBondContact O-CG1 3.22Å; T284-I288 PolarHBondContact O-N 3.41Å; N285-I288 PolarHBondContact O-N 3.17Å; T286-I288 PolarHBondContact O-N 3.28Å; I288-N290 VanDerWaalsContact C-N 3.35Å; I288-N290 PolarHBondContact O-N 2.96Å; I288-A291 PolarHBondContact O-N 3.13Å; I288-I363 HydrophobicContact CG1-CB 3.87Å; I288-I363 HydrophobicContact CG1-CG1 4.28Å; I288-I363 HydrophobicContact CG1-CG2 3.83Å; I288-H460 HydrophobicContact CD1-CB 3.79Å; I288-I462 HydrophobicContact CG1-CG2 4.36Å; I288-I462 HydrophobicContact CG2-CG2 4.22Å; I288-K469 WeakPolarHBondContact O-CE 3.44Å; I288-K469 PolarHBondContact O-NZ 3.49Å; I288-V471 HydrophobicContact CD1-CG1 4.39Å; I288-V471 HydrophobicContact CG2-CG1 4.44Å; I288-V471 HydrophobicContact CG2-CG2 3.54Å
289	K	98.5	Very high	98.2	Very high	157 Å²	157	32.8 Å²	32.8	68%	0.683	16%	0.163	S	C	*	.	H	α-helix	trans	-61.6	-43.4	179.8	-177.1	-177.2	176.6	-173.9	0	111.5	N285 T286 G287 K469	N285-K289 VanDerWaalsContact O-CB 3.29Å; N285-K289 WeakPolarHBondContact O-CB 3.37Å; N285-K289 PolarHBondContact O-N 3.33Å; T286-K289 PolarHBondContact O-N 3.46Å; G287-K289 PolarHBondContact O-N 3.27Å; K289-K469 PolarHBondContact O-NZ 3.38Å
290	N	98.2	Very high	98.2	Very high	59 Å²	59	32.8 Å²	32.8	32%	0.316	16%	0.163	S	C	.	.	H	α-helix	trans	-80.5	-20	-177.6	-73.8	-79.3	0	0	0	113.5	T286 G287 I288 V295	T286-N290 WeakPolarHBondContact CG2-ND2 3.45Å; T286-N290 WeakPolarHBondContact O-CB 3.34Å; T286-N290 PolarHBondContact O-N 3.37Å; T286-N290 PolarHBondContact O-ND2 3.14Å; G287-N290 PolarHBondContact O-N 2.97Å; I288-N290 VanDerWaalsContact C-N 3.35Å; I288-N290 PolarHBondContact O-N 2.96Å; N290-V295 WeakPolarHBondContact O-CG1 3.35Å
291	A	98.4	Very high	98.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.163	C	C	.	.			trans	-64.1	145.4	174.3	0	0	0	0	0	112.1	P138 G287 I288 M355 I363 I462 K469	P138-A291 WeakPolarHBondContact CD-O 3.07Å; G287-A291 WeakPolarHBondContact O-CB 3.49Å; G287-A291 PolarHBondContact O-N 3.07Å; I288-A291 PolarHBondContact O-N 3.13Å; A291-M355 HydrophobicContact CB-CE 3.92Å; A291-M355 HydrophobicContact CB-SD 3.79Å; A291-I363 HydrophobicContact CB-CD1 4.33Å; A291-I462 HydrophobicContact CB-CD1 3.57Å; A291-K469 WeakPolarHBondContact O-CD 3.43Å; A291-K469 PolarHBondContact O-NZ 3.18Å
292	G	97.7	Very high	98.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.174	C	C	.	.			trans	171.6	164.6	178.4	0	0	0	0	0	112.9	D294 V295 M355	G292-D294 PolarHBondContact O-N 3.42Å; G292-V295 VanDerWaalsContact O-CB 3.22Å; G292-V295 WeakPolarHBondContact O-CB 3.29Å; G292-V295 WeakPolarHBondContact O-CG2 3.5Å; G292-V295 PolarHBondContact O-N 2.72Å; G292-V295 VanDerWaalsContact O-N 3.08Å; G292-M355 VanDerWaalsContact O-CB 3.31Å; G292-M355 WeakPolarHBondContact O-CB 3.38Å
293	I	96.9	Very high	98.2	Very high	17 Å²	17	33 Å²	33	9%	0.087	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	137	175.3	-60.3	167.4	0	0	0	109.5	Y137 V295 E357 L464	Y137-I293 HydrophobicContact CE1-CB 4.38Å; Y137-I293 HydrophobicContact CE1-CD1 4.06Å; Y137-I293 HydrophobicContact CE1-CG1 3.78Å; Y137-I293 HydrophobicContact CE2-CD1 3.75Å; Y137-I293 HydrophobicContact CE2-CG1 4.38Å; Y137-I293 VanDerWaalsContact CZ-CD1 3.42Å; Y137-I293 VanDerWaalsContact OH-CD1 3.25Å; Y137-I293 WeakPolarHBondContact OH-CD1 3.42Å; I293-V295 PolarHBondContact O-N 3.33Å; I293-E357 HydrophobicContact CD1-CB 3.69Å; I293-E357 HydrophobicContact CD1-CG 3.79Å; I293-E357 HydrophobicContact CG1-CB 4.17Å; I293-E357 HydrophobicContact CG2-CB 4.37Å; I293-L464 HydrophobicContact CG1-CB 4.19Å
294	D	96.2	Very high	98.2	Very high	90 Å²	90	33.1 Å²	33.1	48%	0.481	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.1	-0	-176.9	-59.1	-52.1	0	0	0	116	G292 R354 M355	G292-D294 PolarHBondContact O-N 3.42Å; D294-R354 VanDerWaalsContact O-CD 3.22Å; D294-R354 WeakPolarHBondContact O-CD 3.42Å; D294-R354 WeakPolarHBondContact O-CG 3.3Å; D294-R354 PolarHBondContact O-NE 3.27Å; D294-M355 PolarHBondContact N-O 2.67Å
295	V	96.5	Very high	98.2	Very high	28 Å²	28	34.1 Å²	34.1	17%	0.17	17%	0.169	C	C	.	.			trans	-72.9	136.4	174.2	178.7	0	0	0	0	109.7	P138 N290 G292 I293 V300 R354 M355	P138-V295 HydrophobicContact CG-CG2 3.86Å; N290-V295 WeakPolarHBondContact O-CG1 3.35Å; G292-V295 VanDerWaalsContact O-CB 3.22Å; G292-V295 WeakPolarHBondContact O-CB 3.29Å; G292-V295 WeakPolarHBondContact O-CG2 3.5Å; G292-V295 PolarHBondContact O-N 2.72Å; G292-V295 VanDerWaalsContact O-N 3.08Å; I293-V295 PolarHBondContact O-N 3.33Å; V295-V300 HydrophobicContact CG1-CG2 3.68Å; V295-R354 CarbonylContact O-C 3.6Å; V295-R354 VanDerWaalsContact O-CA 3.27Å; V295-R354 WeakPolarHBondContact O-CA 3.23Å; V295-M355 PolarHBondContact O-N 2.87Å
296	R	97.3	Very high	98.2	Very high	82 Å²	82	38.7 Å²	38.7	31%	0.309	19%	0.189	S	C	.	.	B	Isolated β-bridge	trans	-77.2	135.5	175.1	-59.5	-179.9	-67	173.8	5.9	110.1	C298 D299 V300 T353 R354	R296-C298 VanDerWaalsContact C-N 3.29Å; R296-C298 PolarHBondContact O-N 3.39Å; R296-D299 HydrophobicContact CB-CB 4.47Å; R296-D299 IonicContact CZ-OD1 3.86Å; R296-D299 VanDerWaalsContact CZ-OD1 3.24Å; R296-D299 IonicContact CZ-OD2 3.85Å; R296-D299 IonicContact NE-OD1 2.72Å; R296-D299 PolarHBondContact NE-OD1 2.64Å; R296-D299 IonicContact NE-OD2 2.97Å; R296-D299 PolarHBondContact NE-OD2 3.19Å; R296-D299 IonicContact NH2-OD1 3.94Å; R296-D299 PolarHBondContact NH2-OD1 3Å; R296-D299 IonicContact NH2-OD2 3.85Å; R296-D299 PolarHBondContact NH2-OD2 3.46Å; R296-D299 WeakPolarHBondContact O-CB 3.36Å; R296-D299 PolarHBondContact O-N 3.47Å; R296-D299 VanDerWaalsContact O-N 3.08Å; R296-V300 PolarHBondContact O-N 3.28Å; R296-T353 CarbonylContact C-O 3.55Å; R296-T353 WeakPolarHBondContact CA-O 3.47Å; R296-R354 HydrophobicContact CG-CG 4.06Å
297	L	98.1	Very high	98.2	Very high	3 Å²	3	39.1 Å²	39.1	2%	0.016	19%	0.192	C	C	.	.	H	α-helix	trans	-58.7	-40.3	-180	-66.7	172.2	0	0	0	111.8	D299 V300 G301 K342 T343 V344 P345 T353 M355 Y361	L297-D299 VanDerWaalsContact C-N 3.28Å; L297-D299 PolarHBondContact O-N 3.11Å; L297-V300 WeakPolarHBondContact O-CB 3.46Å; L297-V300 PolarHBondContact O-N 2.93Å; L297-G301 PolarHBondContact O-N 2.89Å; L297-G301 VanDerWaalsContact O-N 3.15Å; L297-K342 HydrophobicContact CD1-CB 4.16Å; L297-T343 WeakPolarHBondContact CD1-O 3.42Å; L297-V344 HydrophobicContact CD2-CG2 3.96Å; L297-P345 WeakPolarHBondContact O-CD 3.48Å; L297-P345 WeakPolarHBondContact O-CG 3.45Å; L297-T353 HydrophobicContact CD1-CG2 4.08Å; L297-T353 WeakPolarHBondContact CG-O 3.43Å; L297-T353 PolarHBondContact N-O 2.88Å; L297-M355 HydrophobicContact CD2-CE 3.63Å; L297-M355 HydrophobicContact CD2-CG 3.71Å; L297-Y361 HydrophobicContact CD2-CE1 4.13Å
298	C	97.8	Very high	98.2	Very high	17 Å²	17	39.1 Å²	39.1	12%	0.115	19%	0.192	C	C	.	.	H	α-helix	trans	-57.4	-36.2	175.2	63	0	0	0	0	114.4	R296 V300 G301 E302 G350 E351	R296-C298 VanDerWaalsContact C-N 3.29Å; R296-C298 PolarHBondContact O-N 3.39Å; C298-V300 VanDerWaalsContact C-N 3.35Å; C298-G301 PolarHBondContact O-N 3.31Å; C298-E302 PolarHBondContact O-N 2.97Å; C298-G350 WeakPolarHBondContact CB-O 3.49Å; C298-E351 WeakPolarHBondContact CB-O 3.42Å; C298-E351 PolarHBondContact N-O 2.83Å
299	D	98.1	Very high	98.2	Very high	40 Å²	40	41.7 Å²	41.7	21%	0.214	20%	0.204	C	C	.	.	H	α-helix	trans	-71.2	-35.7	-178.7	-62.9	-8.7	0	0	0	110.5	R296 L297 G301 E302 A303	R296-D299 HydrophobicContact CB-CB 4.47Å; R296-D299 IonicContact CZ-OD1 3.86Å; R296-D299 VanDerWaalsContact CZ-OD1 3.24Å; R296-D299 IonicContact CZ-OD2 3.85Å; R296-D299 IonicContact NE-OD1 2.72Å; R296-D299 PolarHBondContact NE-OD1 2.64Å; R296-D299 IonicContact NE-OD2 2.97Å; R296-D299 PolarHBondContact NE-OD2 3.19Å; R296-D299 IonicContact NH2-OD1 3.94Å; R296-D299 PolarHBondContact NH2-OD1 3Å; R296-D299 IonicContact NH2-OD2 3.85Å; R296-D299 PolarHBondContact NH2-OD2 3.46Å; R296-D299 WeakPolarHBondContact O-CB 3.36Å; R296-D299 PolarHBondContact O-N 3.47Å; R296-D299 VanDerWaalsContact O-N 3.08Å; L297-D299 VanDerWaalsContact C-N 3.28Å; L297-D299 PolarHBondContact O-N 3.11Å; D299-G301 VanDerWaalsContact C-N 3.35Å; D299-E302 PolarHBondContact O-N 3.22Å; D299-A303 PolarHBondContact O-N 3.26Å; D299-A303 VanDerWaalsContact O-N 3.09Å
300	V	98.5	Very high	98.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62	-45.8	172.5	-176.9	0	0	0	0	110	V295 R296 L297 C298 A303 I304 V344 M355	V295-V300 HydrophobicContact CG1-CG2 3.68Å; R296-V300 PolarHBondContact O-N 3.28Å; L297-V300 WeakPolarHBondContact O-CB 3.46Å; L297-V300 PolarHBondContact O-N 2.93Å; C298-V300 VanDerWaalsContact C-N 3.35Å; V300-A303 PolarHBondContact O-N 2.95Å; V300-I304 HydrophobicContact CG1-CD1 3.78Å; V300-I304 HydrophobicContact CG1-CG1 4.47Å; V300-I304 WeakPolarHBondContact O-CB 3.46Å; V300-I304 WeakPolarHBondContact O-CD1 3.38Å; V300-I304 VanDerWaalsContact O-CG1 3.24Å; V300-I304 WeakPolarHBondContact O-CG1 3.39Å; V300-I304 PolarHBondContact O-N 2.88Å; V300-V344 HydrophobicContact CB-CG1 4.25Å; V300-V344 HydrophobicContact CG1-CG1 3.76Å; V300-M355 HydrophobicContact CG2-CE 4.24Å
301	G	98.6	Very high	98.2	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-65.9	-36.4	178.9	0	0	0	0	0	114.5	L297 C298 D299 Q305 P345 I346 V347	L297-G301 PolarHBondContact O-N 2.89Å; L297-G301 VanDerWaalsContact O-N 3.15Å; C298-G301 PolarHBondContact O-N 3.31Å; D299-G301 VanDerWaalsContact C-N 3.35Å; G301-Q305 WeakPolarHBondContact O-CB 3.39Å; G301-Q305 PolarHBondContact O-N 2.78Å; G301-P345 WeakPolarHBondContact CA-O 3.31Å; G301-P345 PolarHBondContact N-O 3.36Å; G301-I346 CarbonylContact O-C 3.57Å; G301-V347 CarbonylContact O-C 3.53Å; G301-V347 PolarHBondContact O-N 2.75Å
302	E	98.8	Very high	98.2	Very high	110 Å²	110	43.5 Å²	43.5	51%	0.514	22%	0.221	S	C	.	.	H	α-helix	trans	-65.1	-45.8	174.2	-175.7	168.2	178	0	0	111.7	C298 D299 I304 Q305 E306 K348	C298-E302 PolarHBondContact O-N 2.97Å; D299-E302 PolarHBondContact O-N 3.22Å; E302-I304 PolarHBondContact O-N 3.3Å; E302-Q305 PolarHBondContact O-N 2.78Å; E302-E306 PolarHBondContact O-N 3.17Å; E302-K348 HydrophobicContact CB-CB 3.98Å; E302-K348 HydrophobicContact CG-CB 4.07Å
303	A	98.8	Very high	98.2	Very high	16 Å²	16	43.7 Å²	43.7	13%	0.132	22%	0.222	C	C	.	.	H	α-helix	trans	-64.1	-40.1	177.6	0	0	0	0	0	112.7	T286 D299 V300 V307	T286-A303 HydrophobicContact CG2-CB 4.06Å; D299-A303 PolarHBondContact O-N 3.26Å; D299-A303 VanDerWaalsContact O-N 3.09Å; V300-A303 PolarHBondContact O-N 2.95Å; A303-V307 PolarHBondContact O-N 3.05Å
304	I	98.9	Very high	98.3	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-59.8	-48.6	174.2	-73.8	166.1	0	0	0	110.4	A283 V300 E302 V307 M308 I346 T365	A283-I304 HydrophobicContact CB-CG2 4.29Å; V300-I304 HydrophobicContact CG1-CD1 3.78Å; V300-I304 HydrophobicContact CG1-CG1 4.47Å; V300-I304 WeakPolarHBondContact O-CB 3.46Å; V300-I304 WeakPolarHBondContact O-CD1 3.38Å; V300-I304 VanDerWaalsContact O-CG1 3.24Å; V300-I304 WeakPolarHBondContact O-CG1 3.39Å; V300-I304 PolarHBondContact O-N 2.88Å; E302-I304 PolarHBondContact O-N 3.3Å; I304-V307 PolarHBondContact O-N 3.35Å; I304-M308 WeakPolarHBondContact O-CB 3.43Å; I304-M308 PolarHBondContact O-N 2.9Å; I304-I346 HydrophobicContact CD1-CG2 4.28Å; I304-I346 HydrophobicContact CG2-CB 3.8Å; I304-I346 HydrophobicContact CG2-CG2 4.29Å; I304-T365 HydrophobicContact CD1-CG2 3.94Å; I304-T365 HydrophobicContact CG1-CG2 4.17Å; I304-T365 HydrophobicContact CG2-CG2 3.55Å
305	Q	98.9	Very high	98.3	Very high	23 Å²	23	45.2 Å²	45.2	11%	0.107	23%	0.226	C	C	.	.	H	α-helix	trans	-63.5	-44.2	-179	176.5	172.2	21.4	0	0	112.2	G301 E302 V307 M308 E309 P324	G301-Q305 WeakPolarHBondContact O-CB 3.39Å; G301-Q305 PolarHBondContact O-N 2.78Å; E302-Q305 PolarHBondContact O-N 2.78Å; Q305-V307 VanDerWaalsContact C-N 3.32Å; Q305-V307 PolarHBondContact O-N 2.9Å; Q305-M308 PolarHBondContact O-N 3.33Å; Q305-E309 VanDerWaalsContact CG-CD 3.48Å; Q305-E309 HydrophobicContact CG-CG 4.06Å; Q305-E309 WeakPolarHBondContact CG-OE1 3.28Å; Q305-E309 PolarHBondContact NE2-OE1 3.09Å; Q305-E309 PolarHBondContact NE2-OE2 3.11Å; Q305-E309 WeakPolarHBondContact O-CB 3.36Å; Q305-E309 WeakPolarHBondContact O-CG 3.27Å; Q305-E309 PolarHBondContact O-N 3.13Å; Q305-P324 HydrophobicContact CB-CG 4.19Å; Q305-P324 HydrophobicContact CG-CG 4.1Å
306	E	98.9	Very high	98.3	Very high	145 Å²	145	49 Å²	49	68%	0.678	25%	0.245	S	C	*	.	H	α-helix	trans	-54.9	-49.3	178.5	-178.6	-178.4	-171.9	0	0	111.3	E302 S310	E302-E306 PolarHBondContact O-N 3.17Å; E306-S310 PolarHBondContact O-N 3.44Å
307	V	98.9	Very high	98.2	Very high	28 Å²	28	48 Å²	48	17%	0.17	26%	0.26	C	S	.	.	H	α-helix	trans	-67.5	-48.6	179.6	170.9	0	0	0	0	110.8	D282 A283 T286 A303 I304 Q305 E309 S310 Y311	D282-V307 HydrophobicContact CB-CG1 4.11Å; D282-V307 WeakPolarHBondContact OD2-CG1 3.42Å; A283-V307 HydrophobicContact CB-CG1 4.47Å; T286-V307 HydrophobicContact CG2-CB 4.37Å; T286-V307 HydrophobicContact CG2-CG2 3.75Å; A303-V307 PolarHBondContact O-N 3.05Å; I304-V307 PolarHBondContact O-N 3.35Å; Q305-V307 VanDerWaalsContact C-N 3.32Å; Q305-V307 PolarHBondContact O-N 2.9Å; V307-E309 PolarHBondContact O-N 3.43Å; V307-S310 WeakPolarHBondContact O-CB 3.5Å; V307-S310 PolarHBondContact O-N 3.48Å; V307-S310 VanDerWaalsContact O-N 3.13Å; V307-S310 PolarHBondContact O-OG 3.26Å; V307-Y311 HydrophobicContact CG1-CE2 4.18Å; V307-Y311 VanDerWaalsContact O-CD2 3.27Å; V307-Y311 WeakPolarHBondContact O-CD2 3.35Å
308	M	98.8	Very high	98.2	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-57	-47.5	-179.2	-169.5	78.2	77.6	0	0	112	A279 V280 A283 I304 Q305 S310 Y311 V322 P324 T365	A279-M308 HydrophobicContact CB-SD 4.37Å; V280-M308 HydrophobicContact CB-CE 4.28Å; V280-M308 HydrophobicContact CB-SD 4.29Å; V280-M308 HydrophobicContact CG1-CE 4.25Å; V280-M308 HydrophobicContact CG2-CE 3.98Å; V280-M308 HydrophobicContact CG2-SD 3.69Å; A283-M308 HydrophobicContact CB-CB 3.93Å; A283-M308 HydrophobicContact CB-CE 3.38Å; A283-M308 HydrophobicContact CB-CG 4.49Å; A283-M308 HydrophobicContact CB-SD 3.83Å; I304-M308 WeakPolarHBondContact O-CB 3.43Å; I304-M308 PolarHBondContact O-N 2.9Å; Q305-M308 PolarHBondContact O-N 3.33Å; M308-S310 PolarHBondContact O-N 2.78Å; M308-Y311 PolarHBondContact O-N 2.91Å; M308-V322 HydrophobicContact CG-CB 4.42Å; M308-V322 HydrophobicContact CG-CG1 3.86Å; M308-V322 HydrophobicContact SD-CG1 3.73Å; M308-P324 HydrophobicContact CB-CG 3.93Å; M308-P324 HydrophobicContact CG-CG 3.91Å; M308-T365 WeakPolarHBondContact CE-OG1 3.49Å
309	E	98.8	Very high	98.3	Very high	60 Å²	60	58 Å²	58	28%	0.28	31%	0.31	S	S	.	.	H	α-helix	trans	-75	-8.8	-177.4	-68.4	-177.4	173.8	0	0	113.2	Q305 V307 Y311 Q321 P324	Q305-E309 VanDerWaalsContact CG-CD 3.48Å; Q305-E309 HydrophobicContact CG-CG 4.06Å; Q305-E309 WeakPolarHBondContact CG-OE1 3.28Å; Q305-E309 PolarHBondContact NE2-OE1 3.09Å; Q305-E309 PolarHBondContact NE2-OE2 3.11Å; Q305-E309 WeakPolarHBondContact O-CB 3.36Å; Q305-E309 WeakPolarHBondContact O-CG 3.27Å; Q305-E309 PolarHBondContact O-N 3.13Å; V307-E309 PolarHBondContact O-N 3.43Å; E309-Y311 VanDerWaalsContact C-N 3.26Å; E309-Y311 PolarHBondContact O-N 3.27Å; E309-Q321 WeakPolarHBondContact O-CG 3.03Å; E309-Q321 PolarHBondContact O-NE2 3.42Å; E309-P324 HydrophobicContact CG-CG 4.47Å
310	S	98.8	Very high	98.3	Very high	85 Å²	85	59 Å²	59	59%	0.594	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-13.5	172.4	79.3	0	0	0	0	113.7	E306 V307 M308	E306-S310 PolarHBondContact O-N 3.44Å; V307-S310 WeakPolarHBondContact O-CB 3.5Å; V307-S310 PolarHBondContact O-N 3.48Å; V307-S310 VanDerWaalsContact O-N 3.13Å; V307-S310 PolarHBondContact O-OG 3.26Å; M308-S310 PolarHBondContact O-N 2.78Å
311	Y	98.8	Very high	98.3	Very high	32 Å²	32	63.7 Å²	63.7	13%	0.125	33%	0.333	C	S	.	.			trans	-93.6	136.9	179.5	-72.9	-105.8	0	0	0	111.7	K275 E278 A279 D282 V307 M308 E309 V322	K275-Y311 HydrophobicContact CD-CD1 4.18Å; K275-Y311 HydrophobicContact CD-CE1 4.46Å; K275-Y311 HydrophobicContact CG-CD1 4.5Å; E278-Y311 HydrophobicContact CB-CE1 4.47Å; E278-Y311 HydrophobicContact CG-CE1 3.99Å; A279-Y311 VanDerWaalsContact CB-CB 3.5Å; A279-Y311 HydrophobicContact CB-CD1 3.71Å; A279-Y311 HydrophobicContact CB-CD2 3.8Å; A279-Y311 HydrophobicContact CB-CE1 4.4Å; A279-Y311 HydrophobicContact CB-CE2 4.47Å; A279-Y311 HydrophobicContact CB-CG 3.39Å; D282-Y311 HydrophobicContact CB-CE2 4.27Å; D282-Y311 PolarHBondContact OD2-OH 3.13Å; V307-Y311 HydrophobicContact CG1-CE2 4.18Å; V307-Y311 VanDerWaalsContact O-CD2 3.27Å; V307-Y311 WeakPolarHBondContact O-CD2 3.35Å; M308-Y311 PolarHBondContact O-N 2.91Å; E309-Y311 VanDerWaalsContact C-N 3.26Å; E309-Y311 PolarHBondContact O-N 3.27Å; Y311-V322 PolarHBondContact O-N 2.84Å; Y311-V322 VanDerWaalsContact O-N 3.08Å
312	E	98.4	Very high	98.3	Very high	136 Å²	136	63.7 Å²	63.7	64%	0.636	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.2	142.2	167.7	-62.2	-177.7	169.9	0	0	109.5	T319 Y320	E312-T319 HydrophobicContact CB-CG2 4.38Å; E312-Y320 CarbonylContact C-O 3.59Å; E312-Y320 WeakPolarHBondContact CA-O 3.44Å
313	V	97.9	Very high	98.3	Very high	5 Å²	5	62.5 Å²	62.5	3%	0.03	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	140	178.9	-56.3	0	0	0	0	110.3	K275 L276 L315 T319 Y320 V322 T369	K275-V313 HydrophobicContact CB-CG1 3.88Å; K275-V313 HydrophobicContact CG-CG1 4.01Å; L276-V313 HydrophobicContact CB-CG1 4.25Å; V313-L315 HydrophobicContact CG2-CD1 4.38Å; V313-L315 HydrophobicContact CG2-CG 4.35Å; V313-T319 CarbonylContact O-C 3.57Å; V313-T319 VanDerWaalsContact O-CA 3.32Å; V313-T319 WeakPolarHBondContact O-CA 3.49Å; V313-Y320 HydrophobicContact CG2-CD2 4.43Å; V313-Y320 PolarHBondContact N-O 2.91Å; V313-Y320 PolarHBondContact O-N 3.27Å; V313-V322 HydrophobicContact CG1-CG2 3.74Å; V313-V322 HydrophobicContact CG2-CG2 4.29Å; V313-T369 HydrophobicContact CG2-CG2 4.08Å
314	E	98.2	Very high	98.3	Very high	137 Å²	137	62 Å²	62	64%	0.64	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.9	116.7	171.7	-170.7	-174.9	155.2	0	0	109.5	K318	E314-K318 CarbonylContact C-O 3.56Å; E314-K318 WeakPolarHBondContact CA-O 3.43Å
315	L	97	Very high	98.3	Very high	1 Å²	1	62 Å²	62	1%	0.005	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	121.7	178.3	-60	177.1	0	0	0	109.3	K272 Y273 V313 G317 K318 Y320 T369 Y454	K272-L315 HydrophobicContact CB-CD2 4.18Å; K272-L315 HydrophobicContact CG-CD2 4.08Å; K272-L315 WeakPolarHBondContact O-CD2 3.37Å; Y273-L315 HydrophobicContact CD1-CD1 4.19Å; Y273-L315 HydrophobicContact CD1-CD2 3.9Å; Y273-L315 HydrophobicContact CE1-CD1 4.2Å; Y273-L315 HydrophobicContact CE1-CD2 4.19Å; V313-L315 HydrophobicContact CG2-CD1 4.38Å; V313-L315 HydrophobicContact CG2-CG 4.35Å; L315-G317 PolarHBondContact O-N 3.17Å; L315-K318 PolarHBondContact N-O 2.76Å; L315-K318 PolarHBondContact O-N 2.92Å; L315-Y320 HydrophobicContact CB-CD2 4.48Å; L315-Y320 HydrophobicContact CB-CE2 4.1Å; L315-T369 HydrophobicContact CD1-CG2 3.92Å; L315-Y454 HydrophobicContact CD1-CD2 3.5Å; L315-Y454 HydrophobicContact CD1-CE2 3.97Å; L315-Y454 HydrophobicContact CD1-CG 4.35Å
316	D	95.6	Very high	98.3	Very high	108 Å²	108	67.6 Å²	67.6	58%	0.578	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	41.1	175.1	-52.4	-48.9	0	0	0	112.7	K272 Y454	K272-D316 VanDerWaalsContact NZ-CG 3.34Å; K272-D316 IonicContact NZ-OD1 3.77Å; K272-D316 PolarHBondContact NZ-OD1 2.68Å; K272-D316 IonicContact NZ-OD2 3.92Å; K272-D316 PolarHBondContact NZ-OD2 3.45Å; D316-Y454 PolarHBondContact OD2-OH 3.45Å
317	G	96.6	Very high	98.3	Very high	61 Å²	61	64.1 Å²	64.1	63%	0.629	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	14.3	179.1	0	0	0	0	0	115.2	L315	L315-G317 PolarHBondContact O-N 3.17Å
318	K	98.1	Very high	98.3	Very high	134 Å²	134	63.5 Å²	63.5	58%	0.583	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124	132.4	175.5	-68.2	178.8	179.6	177	0	110.8	E314 L315 Y320	E314-K318 CarbonylContact C-O 3.56Å; E314-K318 WeakPolarHBondContact CA-O 3.43Å; L315-K318 PolarHBondContact N-O 2.76Å; L315-K318 PolarHBondContact O-N 2.92Å; K318-Y320 HydrophobicContact CB-CE2 3.59Å; K318-Y320 WeakPolarHBondContact CB-OH 3.48Å; K318-Y320 VanDerWaalsContact CD-OH 3.29Å; K318-Y320 WeakPolarHBondContact CD-OH 3.35Å; K318-Y320 VanDerWaalsContact O-CD2 3.31Å; K318-Y320 WeakPolarHBondContact O-CD2 3.26Å; K318-Y320 WeakPolarHBondContact O-CE2 3.03Å
319	T	98.5	Very high	98.3	Very high	95 Å²	95	66 Å²	66	58%	0.583	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	137.9	175.2	-49.4	0	0	0	0	110.8	E312 V313	E312-T319 HydrophobicContact CB-CG2 4.38Å; V313-T319 CarbonylContact O-C 3.57Å; V313-T319 VanDerWaalsContact O-CA 3.32Å; V313-T319 WeakPolarHBondContact O-CA 3.49Å
320	Y	98.7	Very high	98.3	Very high	63 Å²	63	63.2 Å²	63.2	25%	0.247	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	133.8	176.1	-53.8	-93.8	0	0	0	109	E312 V313 L315 K318 T369	E312-Y320 CarbonylContact C-O 3.59Å; E312-Y320 WeakPolarHBondContact CA-O 3.44Å; V313-Y320 HydrophobicContact CG2-CD2 4.43Å; V313-Y320 PolarHBondContact N-O 2.91Å; V313-Y320 PolarHBondContact O-N 3.27Å; L315-Y320 HydrophobicContact CB-CD2 4.48Å; L315-Y320 HydrophobicContact CB-CE2 4.1Å; K318-Y320 HydrophobicContact CB-CE2 3.59Å; K318-Y320 WeakPolarHBondContact CB-OH 3.48Å; K318-Y320 VanDerWaalsContact CD-OH 3.29Å; K318-Y320 WeakPolarHBondContact CD-OH 3.35Å; K318-Y320 VanDerWaalsContact O-CD2 3.31Å; K318-Y320 WeakPolarHBondContact O-CD2 3.26Å; K318-Y320 WeakPolarHBondContact O-CE2 3.03Å; Y320-T369 WeakPolarHBondContact CD1-O 3.3Å; Y320-T369 HydrophobicContact CD2-CG2 4.28Å; Y320-T369 HydrophobicContact CG-CG2 4.08Å
321	Q	98.8	Very high	98.3	Very high	98 Å²	98	59.6 Å²	59.6	46%	0.458	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	132.1	156.3	-173.6	-179.2	34.4	0	0	107.9	E309 K323	E309-Q321 WeakPolarHBondContact O-CG 3.03Å; E309-Q321 PolarHBondContact O-NE2 3.42Å; Q321-K323 PolarHBondContact O-N 3.13Å
322	V	98.9	Very high	98.3	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.294	C	S	.	.			trans	-70.8	128.2	178.7	-174.8	0	0	0	0	109	L276 A279 M308 Y311 V313	L276-V322 HydrophobicContact CD1-CG1 3.78Å; L276-V322 HydrophobicContact CD1-CG2 4.04Å; A279-V322 HydrophobicContact CB-CB 4.36Å; A279-V322 HydrophobicContact CB-CG1 4.3Å; A279-V322 HydrophobicContact CB-CG2 4.01Å; M308-V322 HydrophobicContact CG-CB 4.42Å; M308-V322 HydrophobicContact CG-CG1 3.86Å; M308-V322 HydrophobicContact SD-CG1 3.73Å; Y311-V322 PolarHBondContact O-N 2.84Å; Y311-V322 VanDerWaalsContact O-N 3.08Å; V313-V322 HydrophobicContact CG1-CG2 3.74Å; V313-V322 HydrophobicContact CG2-CG2 4.29Å
323	K	98.9	Very high	98.3	Very high	84 Å²	84	52.5 Å²	52.5	37%	0.365	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	131.5	-179	-63.9	175.9	-168.6	163.3	0	110.9	Q321 G367 S368 G370	Q321-K323 PolarHBondContact O-N 3.13Å; K323-G367 CarbonylContact O-C 3.58Å; K323-G367 WeakPolarHBondContact O-CA 3.37Å; K323-S368 PolarHBondContact N-O 3.43Å; K323-S368 PolarHBondContact O-N 2.85Å; K323-G370 PolarHBondContact NZ-O 2.83Å; K323-G370 VanDerWaalsContact NZ-O 3.14Å
324	P	98.9	Very high	98.4	Very high	6 Å²	6	53.2 Å²	53.2	4%	0.039	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	140.4	164.6	-19	29.5	0	0	0	111	Q305 M308 E309 R326 I346 V347 F366	Q305-P324 HydrophobicContact CB-CG 4.19Å; Q305-P324 HydrophobicContact CG-CG 4.1Å; M308-P324 HydrophobicContact CB-CG 3.93Å; M308-P324 HydrophobicContact CG-CG 3.91Å; E309-P324 HydrophobicContact CG-CG 4.47Å; P324-R326 PolarHBondContact O-N 3.16Å; P324-R326 VanDerWaalsContact O-N 3.1Å; P324-I346 HydrophobicContact CB-CD1 4.06Å; P324-I346 HydrophobicContact CB-CG1 3.99Å; P324-I346 WeakPolarHBondContact CB-O 3.43Å; P324-V347 HydrophobicContact CB-CG1 3.74Å; P324-V347 HydrophobicContact CG-CG1 4.2Å; P324-F366 CarbonylContact C-O 3.45Å; P324-F366 VanDerWaalsContact CA-O 3.28Å; P324-F366 WeakPolarHBondContact CA-O 3.49Å
325	I	98.9	Very high	98.4	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.265	C	S	.	.			trans	-76.8	95.8	171.3	-56.9	-174.5	0	0	0	108.9	A229 N327 L328 I346 F366 V374 T455	A229-I325 HydrophobicContact CB-CD1 3.69Å; I325-N327 PolarHBondContact O-N 3.16Å; I325-L328 HydrophobicContact CB-CB 4.37Å; I325-L328 HydrophobicContact CB-CD1 4.21Å; I325-L328 HydrophobicContact CB-CG 4.38Å; I325-L328 HydrophobicContact CD1-CD1 4.18Å; I325-L328 HydrophobicContact CG2-CB 4.2Å; I325-L328 HydrophobicContact CG2-CD1 3.88Å; I325-L328 HydrophobicContact CG2-CG 3.8Å; I325-L328 PolarHBondContact O-N 2.94Å; I325-I346 WeakPolarHBondContact O-CD1 3.27Å; I325-F366 HydrophobicContact CB-CB 3.97Å; I325-F366 HydrophobicContact CD1-CB 3.73Å; I325-F366 HydrophobicContact CG1-CB 3.81Å; I325-F366 PolarHBondContact N-O 2.68Å; I325-V374 HydrophobicContact CD1-CG1 4.03Å; I325-V374 HydrophobicContact CG2-CB 4.29Å; I325-V374 HydrophobicContact CG2-CG1 3.67Å; I325-V374 HydrophobicContact CG2-CG2 4.06Å; I325-T455 HydrophobicContact CD1-CG2 3.83Å
326	R	98.6	Very high	98.5	Very high	142 Å²	142	53.3 Å²	53.3	54%	0.536	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-16.4	-164.2	71	-179.5	169.4	-90.8	9.3	116.5	P324 V347 K371 G372 V373	P324-R326 PolarHBondContact O-N 3.16Å; P324-R326 VanDerWaalsContact O-N 3.1Å; R326-V347 HydrophobicContact CB-CG1 3.83Å; R326-V347 HydrophobicContact CB-CG2 4Å; R326-K371 PolarHBondContact NH1-O 3.39Å; R326-G372 WeakPolarHBondContact CG-O 3.31Å; R326-G372 PolarHBondContact N-O 3.11Å; R326-G372 PolarHBondContact NH1-O 3.08Å; R326-V373 HydrophobicContact CG-CG2 4.36Å
327	N	98.6	Very high	98.6	Very high	71 Å²	71	51.1 Å²	51.1	38%	0.38	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	18.6	176.7	67.8	-43.4	0	0	0	113.1	I325 V373 V374	I325-N327 PolarHBondContact O-N 3.16Å; N327-V373 VanDerWaalsContact OD1-CA 3.29Å; N327-V373 WeakPolarHBondContact OD1-CA 2.97Å; N327-V373 WeakPolarHBondContact OD1-CG1 3.41Å; N327-V374 PolarHBondContact ND2-O 3.49Å; N327-V374 PolarHBondContact OD1-N 3.07Å
328	L	98.7	Very high	98.7	Very high	16 Å²	16	48.9 Å²	48.9	8%	0.084	23%	0.231	C	C	.	.			trans	-113	153.9	160	-68.5	-178.7	0	0	0	109.2	A229 I325 I346 F366 V374 L447	A229-L328 HydrophobicContact CB-CD1 3.84Å; I325-L328 HydrophobicContact CB-CB 4.37Å; I325-L328 HydrophobicContact CB-CD1 4.21Å; I325-L328 HydrophobicContact CB-CG 4.38Å; I325-L328 HydrophobicContact CD1-CD1 4.18Å; I325-L328 HydrophobicContact CG2-CB 4.2Å; I325-L328 HydrophobicContact CG2-CD1 3.88Å; I325-L328 HydrophobicContact CG2-CG 3.8Å; I325-L328 PolarHBondContact O-N 2.94Å; L328-I346 WeakPolarHBondContact O-CG1 3.47Å; L328-F366 HydrophobicContact CB-CD2 3.66Å; L328-F366 HydrophobicContact CB-CE2 3.93Å; L328-F366 HydrophobicContact CB-CG 4.34Å; L328-F366 HydrophobicContact CD1-CB 4.19Å; L328-F366 HydrophobicContact CD1-CD1 3.79Å; L328-F366 HydrophobicContact CD1-CD2 3.65Å; L328-F366 HydrophobicContact CD1-CE1 3.97Å; L328-F366 HydrophobicContact CD1-CE2 3.86Å; L328-F366 HydrophobicContact CD1-CG 3.61Å; L328-F366 HydrophobicContact CD1-CZ 4Å; L328-F366 HydrophobicContact CG-CD2 4.3Å; L328-F366 HydrophobicContact CG-CE2 4.45Å; L328-V374 HydrophobicContact CD1-CG1 4.15Å; L328-V374 HydrophobicContact CD1-CG2 4.21Å; L328-V374 HydrophobicContact CD2-CG2 3.82Å; L328-V374 HydrophobicContact CG-CG2 3.74Å; L328-L447 HydrophobicContact CD2-CD1 3.6Å
329	N	98.4	Very high	98.7	Very high	52 Å²	52	45.8 Å²	45.8	28%	0.278	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	148.9	-167.1	-55	104.9	0	0	0	108.8	V344	N329-V344 CarbonylContact C-O 3.5Å; N329-V344 WeakPolarHBondContact CA-O 3.36Å; N329-V344 WeakPolarHBondContact CB-O 3.35Å
330	G	98.8	Very high	98.7	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	-179.6	158.5	0	0	0	0	0	111.2	T343 V344 A362 E364	G330-T343 CarbonylContact O-C 3.51Å; G330-T343 WeakPolarHBondContact O-CA 3.26Å; G330-V344 PolarHBondContact N-O 2.9Å; G330-V344 PolarHBondContact O-N 3.27Å; G330-A362 VanDerWaalsContact CA-O 3.31Å; G330-A362 WeakPolarHBondContact CA-O 3.29Å; G330-E364 VanDerWaalsContact CA-CG 3.49Å
331	H	98.9	Very high	98.6	Very high	9 Å²	9	43.1 Å²	43.1	4%	0.042	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	158	-173.1	55.1	86.5	0	0	0	113.5	D262 I338 H339 K342 Y361 A362 E364	D262-H331 IonicContact OD2-CE1 3.79Å; D262-H331 PolarHBondContact OD2-CE1 2.86Å; D262-H331 IonicContact OD2-NE2 3.93Å; D262-H331 PolarHBondContact OD2-NE2 3.34Å; H331-I338 PolarHBondContact CE1-O 3.48Å; H331-I338 PolarHBondContact ND1-O 2.95Å; H331-H339 AromaticContact CD2-CD2 3.46Å; H331-H339 PolarHBondContact CD2-CD2 3.04Å; H331-H339 VanDerWaalsContact CD2-CD2 3.46Å; H331-H339 AromaticContact CD2-NE2 3.71Å; H331-H339 AromaticContact CE1-CD2 3.57Å; H331-H339 AromaticContact CG-CD2 3.42Å; H331-H339 VanDerWaalsContact CG-CD2 3.42Å; H331-H339 AromaticContact ND1-CD2 3.51Å; H331-H339 AromaticContact NE2-CD2 3.54Å; H331-H339 AromaticContact NE2-NE2 3.62Å; H331-K342 CarbonylContact C-O 3.55Å; H331-K342 WeakPolarHBondContact CA-O 3.38Å; H331-Y361 CarbonylContact O-C 3.49Å; H331-Y361 VanDerWaalsContact O-CA 3.27Å; H331-Y361 WeakPolarHBondContact O-CA 3.34Å; H331-A362 VanDerWaalsContact CE1-CB 3.43Å; H331-A362 WeakPolarHBondContact CE1-CB 3.3Å; H331-A362 PolarHBondContact N-O 3.4Å; H331-A362 PolarHBondContact O-N 3.1Å; H331-E364 IonicContact CD2-OE1 2.88Å; H331-E364 PolarHBondContact CD2-OE1 2.86Å; H331-E364 IonicContact NE2-OE1 3.57Å
332	S	98.9	Very high	98.6	Very high	7 Å²	7	40.1 Å²	40.1	5%	0.049	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	147	165.2	52.4	0	0	0	0	110.8	I338 A340 G341 K342 V360	S332-I338 VanDerWaalsContact O-O 3.13Å; S332-A340 PolarHBondContact O-N 3.41Å; S332-G341 PolarHBondContact OG-N 3.04Å; S332-K342 PolarHBondContact N-O 3.07Å; S332-K342 WeakPolarHBondContact OG-CB 3.49Å; S332-K342 PolarHBondContact OG-N 3.36Å; S332-K342 PolarHBondContact OG-O 2.89Å; S332-K342 VanDerWaalsContact OG-O 3.13Å; S332-V360 CarbonylContact C-O 3.58Å; S332-V360 VanDerWaalsContact CA-O 3.27Å; S332-V360 WeakPolarHBondContact CA-O 3.29Å
333	I	98.9	Very high	98.6	Very high	12 Å²	12	43.6 Å²	43.6	6%	0.062	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	136.2	178.9	-64.8	170.2	0	0	0	109.3	I260 D262 I338 V360 A362 T461	I260-I333 HydrophobicContact CB-CG2 4.02Å; I260-I333 HydrophobicContact CD1-CG2 4.48Å; D262-I333 HydrophobicContact CB-CD1 3.86Å; I333-I338 WeakPolarHBondContact CG1-O 3.48Å; I333-V360 HydrophobicContact CB-CB 4.25Å; I333-V360 HydrophobicContact CB-CG1 3.96Å; I333-V360 HydrophobicContact CD1-CG1 4.33Å; I333-V360 HydrophobicContact CG2-CG1 4.42Å; I333-V360 PolarHBondContact N-O 2.8Å; I333-A362 HydrophobicContact CD1-CB 3.82Å; I333-A362 HydrophobicContact CG1-CB 4.33Å; I333-T461 HydrophobicContact CD1-CG2 4.23Å
334	G	98.8	Very high	98.5	Very high	21 Å²	21	39.6 Å²	39.6	22%	0.216	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-120.4	172.2	176.8	0	0	0	0	0	111.6	Y336 R337	G334-Y336 PolarHBondContact O-N 2.75Å; G334-Y336 VanDerWaalsContact O-N 3.16Å; G334-R337 PolarHBondContact N-O 3.28Å; G334-R337 PolarHBondContact O-N 3.46Å; G334-R337 VanDerWaalsContact O-N 3.11Å
335	Q	98.8	Very high	98.5	Very high	91 Å²	91	39.7 Å²	39.7	43%	0.425	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	118.9	177.2	-161.2	-177.3	8.2	0	0	110.2	N257 G258 R337	N257-Q335 WeakPolarHBondContact O-CG 3.39Å; N257-Q335 PolarHBondContact O-NE2 3.02Å; G258-Q335 WeakPolarHBondContact O-CA 3.5Å; Q335-R337 PolarHBondContact O-N 3.03Å; Q335-R337 VanDerWaalsContact O-N 3.16Å
336	Y	98.8	Very high	98.5	Very high	48 Å²	48	39.7 Å²	39.7	19%	0.188	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	19.4	-173.5	-56.1	-77.5	0	0	0	114.9	L213 N257 G258 G334 T412 L413	L213-Y336 HydrophobicContact CB-CE1 4.32Å; L213-Y336 VanDerWaalsContact O-CE1 3.22Å; L213-Y336 WeakPolarHBondContact O-CE1 3.32Å; L213-Y336 PolarHBondContact O-OH 3.4Å; L213-Y336 VanDerWaalsContact O-OH 3.04Å; N257-Y336 WeakPolarHBondContact CA-OH 3.16Å; G258-Y336 VanDerWaalsContact CA-CD1 3.41Å; G258-Y336 VanDerWaalsContact N-CE1 3.33Å; G258-Y336 VanDerWaalsContact N-CZ 3.27Å; G258-Y336 PolarHBondContact N-OH 3.46Å; G258-Y336 PolarHBondContact O-N 2.93Å; G334-Y336 PolarHBondContact O-N 2.75Å; G334-Y336 VanDerWaalsContact O-N 3.16Å; Y336-T412 WeakPolarHBondContact CB-OG1 3.27Å; Y336-T412 WeakPolarHBondContact O-CB 3.35Å; Y336-T412 PolarHBondContact O-OG1 2.69Å; Y336-L413 HydrophobicContact CD1-CD1 4.13Å; Y336-L413 HydrophobicContact CD1-CD2 4.25Å; Y336-L413 HydrophobicContact CD1-CG 4.13Å
337	R	98.8	Very high	98.5	Very high	62 Å²	62	34.2 Å²	34.2	23%	0.234	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-133.3	99.6	-177	-173.6	178.2	-178.4	151.8	11.7	108.7	G334 Q335 H339 F387 D388	G334-R337 PolarHBondContact N-O 3.28Å; G334-R337 PolarHBondContact O-N 3.46Å; G334-R337 VanDerWaalsContact O-N 3.11Å; Q335-R337 PolarHBondContact O-N 3.03Å; Q335-R337 VanDerWaalsContact O-N 3.16Å; R337-H339 VanDerWaalsContact C-N 3.3Å; R337-H339 VanDerWaalsContact CG-O 3.28Å; R337-H339 WeakPolarHBondContact CG-O 3.42Å; R337-H339 PolarHBondContact NE-O 3.49Å; R337-H339 PolarHBondContact O-N 3.23Å; R337-F387 HydrophobicContact CB-CD2 3.8Å; R337-F387 HydrophobicContact CB-CE2 3.82Å; R337-F387 HydrophobicContact CG-CB 4.47Å; R337-F387 HydrophobicContact CG-CD2 3.86Å; R337-F387 HydrophobicContact CG-CE2 4.26Å; R337-F387 HydrophobicContact CG-CG 4.1Å; R337-D388 IonicContact CZ-OD1 3.24Å; R337-D388 IonicContact NH1-OD1 2.77Å; R337-D388 PolarHBondContact NH1-OD1 2.76Å; R337-D388 IonicContact NH2-OD1 3.31Å; R337-D388 IonicContact NH2-OD2 2.78Å; R337-D388 PolarHBondContact NH2-OD2 3.32Å
338	I	98.7	Very high	98.5	Very high	14 Å²	14	37 Å²	37	7%	0.072	21%	0.206	C	C	.	.	S	Bend	trans	-59.2	-42.9	-178.1	-165.5	66.3	0	0	0	111.3	F219 I260 D262 H331 S332 I333 M384	F219-I338 HydrophobicContact CD1-CD1 3.63Å; F219-I338 HydrophobicContact CD1-CG1 4.26Å; F219-I338 HydrophobicContact CE1-CD1 3.67Å; I260-I338 HydrophobicContact CD1-CD1 4.27Å; I260-I338 HydrophobicContact CG2-CD1 3.6Å; D262-I338 HydrophobicContact CB-CD1 4.18Å; D262-I338 VanDerWaalsContact OD2-CD1 3.26Å; D262-I338 WeakPolarHBondContact OD2-CD1 3.24Å; H331-I338 PolarHBondContact CE1-O 3.48Å; H331-I338 PolarHBondContact ND1-O 2.95Å; S332-I338 VanDerWaalsContact O-O 3.13Å; I333-I338 WeakPolarHBondContact CG1-O 3.48Å; I338-M384 HydrophobicContact CG2-CE 3.78Å; I338-M384 HydrophobicContact CG2-SD 3.59Å; I338-M384 VanDerWaalsContact CG2-SD 3.59Å
339	H	98.3	Very high	98.1	Very high	70 Å²	70	40 Å²	40	32%	0.324	24%	0.241	S	C	.	.			trans	-109.4	100.8	175.3	-54.6	141.9	0	0	0	111.3	H331 R337	H331-H339 AromaticContact CD2-CD2 3.46Å; H331-H339 PolarHBondContact CD2-CD2 3.04Å; H331-H339 VanDerWaalsContact CD2-CD2 3.46Å; H331-H339 AromaticContact CD2-NE2 3.71Å; H331-H339 AromaticContact CE1-CD2 3.57Å; H331-H339 AromaticContact CG-CD2 3.42Å; H331-H339 VanDerWaalsContact CG-CD2 3.42Å; H331-H339 AromaticContact ND1-CD2 3.51Å; H331-H339 AromaticContact NE2-CD2 3.54Å; H331-H339 AromaticContact NE2-NE2 3.62Å; R337-H339 VanDerWaalsContact C-N 3.3Å; R337-H339 VanDerWaalsContact CG-O 3.28Å; R337-H339 WeakPolarHBondContact CG-O 3.42Å; R337-H339 PolarHBondContact NE-O 3.49Å; R337-H339 PolarHBondContact O-N 3.23Å
340	A	97.3	Very high	97.7	Very high	38 Å²	38	39.1 Å²	39.1	31%	0.314	24%	0.244	S	C	.	.			trans	-86.6	1.4	-175.1	0	0	0	0	0	115.6	S332	S332-A340 PolarHBondContact O-N 3.41Å
341	G	96.8	Very high	97.3	Very high	63 Å²	63	45.3 Å²	45.3	65%	0.649	27%	0.273	S	S	*	.	S	Bend	trans	118.8	-27.3	167	0	0	0	0	0	115.2	S332	S332-G341 PolarHBondContact OG-N 3.04Å
342	K	98.6	Very high	97.2	Very high	35 Å²	35	48 Å²	48	15%	0.152	30%	0.297	C	S	.	.			trans	-87.3	135.5	169.3	-65.8	179.5	178.5	175.6	0	110.8	L297 H331 S332 T353 R354 E356 E359 Y361	L297-K342 HydrophobicContact CD1-CB 4.16Å; H331-K342 CarbonylContact C-O 3.55Å; H331-K342 WeakPolarHBondContact CA-O 3.38Å; S332-K342 PolarHBondContact N-O 3.07Å; S332-K342 WeakPolarHBondContact OG-CB 3.49Å; S332-K342 PolarHBondContact OG-N 3.36Å; S332-K342 PolarHBondContact OG-O 2.89Å; S332-K342 VanDerWaalsContact OG-O 3.13Å; K342-T353 HydrophobicContact CD-CG2 4.2Å; K342-T353 HydrophobicContact CG-CG2 4.42Å; K342-R354 PolarHBondContact NZ-O 3.45Å; K342-E356 IonicContact NZ-OE1 2.79Å; K342-E356 PolarHBondContact NZ-OE1 3.02Å; K342-E359 WeakPolarHBondContact CD-OE1 3.27Å; K342-E359 VanDerWaalsContact CE-OE1 3.28Å; K342-E359 WeakPolarHBondContact CE-OE1 3.5Å; K342-E359 VanDerWaalsContact NZ-CD 3.35Å; K342-E359 IonicContact NZ-OE1 3.67Å; K342-E359 PolarHBondContact NZ-OE1 3.44Å; K342-E359 IonicContact NZ-OE2 3.75Å; K342-E359 PolarHBondContact NZ-OE2 3.26Å; K342-Y361 HydrophobicContact CB-CE1 4.28Å; K342-Y361 WeakPolarHBondContact CD-OH 3.38Å
343	T	98.4	Very high	97.1	Very high	73 Å²	73	50.2 Å²	50.2	45%	0.448	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	131.7	176.8	55.4	0	0	0	0	110.9	L297 G330 P345	L297-T343 WeakPolarHBondContact CD1-O 3.42Å; G330-T343 CarbonylContact O-C 3.51Å; G330-T343 WeakPolarHBondContact O-CA 3.26Å; T343-P345 WeakPolarHBondContact O-CD 3.33Å
344	V	98.7	Very high	97	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.006	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	106.5	175	-171.8	0	0	0	0	108.3	L297 V300 N329 G330 M355 Y361 I363	L297-V344 HydrophobicContact CD2-CG2 3.96Å; V300-V344 HydrophobicContact CB-CG1 4.25Å; V300-V344 HydrophobicContact CG1-CG1 3.76Å; N329-V344 CarbonylContact C-O 3.5Å; N329-V344 WeakPolarHBondContact CA-O 3.36Å; N329-V344 WeakPolarHBondContact CB-O 3.35Å; G330-V344 PolarHBondContact N-O 2.9Å; G330-V344 PolarHBondContact O-N 3.27Å; V344-M355 HydrophobicContact CG1-CE 4.3Å; V344-M355 HydrophobicContact CG2-CE 3.95Å; V344-Y361 HydrophobicContact CG2-CD1 3.43Å; V344-Y361 VanDerWaalsContact CG2-CD1 3.43Å; V344-Y361 HydrophobicContact CG2-CE1 3.83Å; V344-Y361 HydrophobicContact CG2-CG 4.43Å; V344-I363 HydrophobicContact CG1-CD1 4.16Å; V344-I363 HydrophobicContact CG2-CD1 4.07Å
345	P	98.6	Very high	97	Very high	8 Å²	8	55.3 Å²	55.3	5%	0.052	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	153.3	179.1	30.2	-34.7	0	0	0	111	L297 G301 T343	L297-P345 WeakPolarHBondContact O-CD 3.48Å; L297-P345 WeakPolarHBondContact O-CG 3.45Å; G301-P345 WeakPolarHBondContact CA-O 3.31Å; G301-P345 PolarHBondContact N-O 3.36Å; T343-P345 WeakPolarHBondContact O-CD 3.33Å
346	I	98.8	Very high	97	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	33%	0.326	C	S	.	.	S	Bend	trans	-113.2	12	172.1	69.7	174.4	0	0	0	112.1	G301 I304 P324 I325 L328 E364 T365 F366	G301-I346 CarbonylContact O-C 3.57Å; I304-I346 HydrophobicContact CD1-CG2 4.28Å; I304-I346 HydrophobicContact CG2-CB 3.8Å; I304-I346 HydrophobicContact CG2-CG2 4.29Å; P324-I346 HydrophobicContact CB-CD1 4.06Å; P324-I346 HydrophobicContact CB-CG1 3.99Å; P324-I346 WeakPolarHBondContact CB-O 3.43Å; I325-I346 WeakPolarHBondContact O-CD1 3.27Å; L328-I346 WeakPolarHBondContact O-CG1 3.47Å; I346-E364 WeakPolarHBondContact CG2-O 3.26Å; I346-T365 HydrophobicContact CG2-CG2 4.07Å; I346-F366 HydrophobicContact CD1-CB 4.39Å; I346-F366 HydrophobicContact CD1-CD2 4.45Å
347	V	98.6	Very high	97	Very high	26 Å²	26	56.8 Å²	56.8	16%	0.158	33%	0.331	C	S	.	.	S	Bend	trans	-137.7	156.5	174	-65.3	0	0	0	0	109.5	G301 P324 R326	G301-V347 CarbonylContact O-C 3.53Å; G301-V347 PolarHBondContact O-N 2.75Å; P324-V347 HydrophobicContact CB-CG1 3.74Å; P324-V347 HydrophobicContact CG-CG1 4.2Å; R326-V347 HydrophobicContact CB-CG1 3.83Å; R326-V347 HydrophobicContact CB-CG2 4Å
348	K	97.3	Very high	96.9	Very high	130 Å²	130	55.7 Å²	55.7	57%	0.565	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	158.8	171.2	71.7	-165.2	171.4	-170.3	0	112	E302	E302-K348 HydrophobicContact CB-CB 3.98Å; E302-K348 HydrophobicContact CG-CB 4.07Å
349	G	91.8	Very high	96.9	Very high	80 Å²	80	57 Å²	57	83%	0.825	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.4	8.5	176	0	0	0	0	0	115.3
350	G	89.5	Confident	97	Very high	33 Å²	33	54.1 Å²	54.1	34%	0.34	33%	0.332	S	S	.	.			trans	-72	-176.6	170.9	0	0	0	0	0	113.6	C298	C298-G350 WeakPolarHBondContact CB-O 3.49Å
351	E	89.9	Confident	97	Very high	130 Å²	130	52.3 Å²	52.3	61%	0.607	32%	0.317	S	S	*	.			trans	-68.8	146.4	179.2	-62.3	-175.4	173.6	0	0	112.9	C298 T353	C298-E351 WeakPolarHBondContact CB-O 3.42Å; C298-E351 PolarHBondContact N-O 2.83Å; E351-T353 PolarHBondContact O-N 2.83Å; E351-T353 PolarHBondContact OE2-OG1 3.03Å; E351-T353 VanDerWaalsContact OE2-OG1 3.11Å
352	A	96.1	Very high	97.1	Very high	66 Å²	66	49.3 Å²	49.3	55%	0.545	29%	0.286	S	S	.	.			trans	-81.4	10.4	174.6	0	0	0	0	0	113.7
353	T	97.6	Very high	97.2	Very high	54 Å²	54	47.7 Å²	47.7	33%	0.331	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-52.7	140.5	173.2	-58.5	0	0	0	0	109.9	R296 L297 K342 E351	R296-T353 CarbonylContact C-O 3.55Å; R296-T353 WeakPolarHBondContact CA-O 3.47Å; L297-T353 HydrophobicContact CD1-CG2 4.08Å; L297-T353 WeakPolarHBondContact CG-O 3.43Å; L297-T353 PolarHBondContact N-O 2.88Å; K342-T353 HydrophobicContact CD-CG2 4.2Å; K342-T353 HydrophobicContact CG-CG2 4.42Å; E351-T353 PolarHBondContact O-N 2.83Å; E351-T353 PolarHBondContact OE2-OG1 3.03Å; E351-T353 VanDerWaalsContact OE2-OG1 3.11Å
354	R	98	Very high	97.2	Very high	139 Å²	139	45.1 Å²	45.1	53%	0.525	26%	0.262	S	S	.	.	B	Isolated β-bridge	trans	-98.5	147.9	-177.3	-75.1	179.4	165.8	146.1	3.7	112.4	D294 V295 R296 K342	D294-R354 VanDerWaalsContact O-CD 3.22Å; D294-R354 WeakPolarHBondContact O-CD 3.42Å; D294-R354 WeakPolarHBondContact O-CG 3.3Å; D294-R354 PolarHBondContact O-NE 3.27Å; V295-R354 CarbonylContact O-C 3.6Å; V295-R354 VanDerWaalsContact O-CA 3.27Å; V295-R354 WeakPolarHBondContact O-CA 3.23Å; R296-R354 HydrophobicContact CG-CG 4.06Å; K342-R354 PolarHBondContact NZ-O 3.45Å
355	M	98.5	Very high	97.2	Very high	0 Å²	0	45 Å²	45	0%	0	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-72.1	139.6	164.2	-64.7	-176.4	168	0	0	110	A291 G292 D294 V295 L297 V300 V344 Y361 I363 L464	A291-M355 HydrophobicContact CB-CE 3.92Å; A291-M355 HydrophobicContact CB-SD 3.79Å; G292-M355 VanDerWaalsContact O-CB 3.31Å; G292-M355 WeakPolarHBondContact O-CB 3.38Å; D294-M355 PolarHBondContact N-O 2.67Å; V295-M355 PolarHBondContact O-N 2.87Å; L297-M355 HydrophobicContact CD2-CE 3.63Å; L297-M355 HydrophobicContact CD2-CG 3.71Å; V300-M355 HydrophobicContact CG2-CE 4.24Å; V344-M355 HydrophobicContact CG1-CE 4.3Å; V344-M355 HydrophobicContact CG2-CE 3.95Å; M355-Y361 HydrophobicContact CB-CE2 4.03Å; M355-Y361 HydrophobicContact CE-CD1 4.14Å; M355-Y361 HydrophobicContact CE-CD2 4.39Å; M355-Y361 HydrophobicContact CE-CE1 4.21Å; M355-Y361 HydrophobicContact CE-CE2 4.47Å; M355-Y361 HydrophobicContact CE-CG 4.23Å; M355-Y361 HydrophobicContact CG-CD2 4.49Å; M355-Y361 HydrophobicContact CG-CE1 4.35Å; M355-Y361 HydrophobicContact CG-CE2 3.78Å; M355-Y361 HydrophobicContact SD-CD2 4.38Å; M355-Y361 HydrophobicContact SD-CE2 4.23Å; M355-I363 HydrophobicContact CE-CD1 4.11Å; M355-L464 HydrophobicContact CB-CD1 3.71Å; M355-L464 HydrophobicContact CG-CD1 4.38Å; M355-L464 HydrophobicContact SD-CD1 4.18Å
356	E	98.3	Very high	97.2	Very high	110 Å²	110	44.8 Å²	44.8	51%	0.514	26%	0.26	S	S	.	.			trans	-116.5	158.1	-173.1	-64.5	174.4	-129.6	0	0	111.9	K342 E359	K342-E356 IonicContact NZ-OE1 2.79Å; K342-E356 PolarHBondContact NZ-OE1 3.02Å; E356-E359 HydrophobicContact CB-CG 3.99Å; E356-E359 PolarHBondContact N-OE2 3.23Å; E356-E359 WeakPolarHBondContact O-CB 3.47Å; E356-E359 PolarHBondContact O-N 3.37Å
357	E	98.1	Very high	97.2	Very high	60 Å²	60	44.8 Å²	44.8	28%	0.28	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	137	175.6	-175.4	170.6	107.9	0	0	111.3	R149 R155 I293 E359 P466	R149-E357 IonicContact CZ-OE2 2.77Å; R149-E357 IonicContact NH1-OE2 3.83Å; R149-E357 PolarHBondContact NH1-OE2 3.27Å; R149-E357 IonicContact NH2-OE2 3.97Å; R155-E357 IonicContact CZ-OE1 2.83Å; R155-E357 IonicContact CZ-OE2 3.71Å; R155-E357 IonicContact NE-OE2 3.92Å; R155-E357 IonicContact NH1-OE1 3.44Å; R155-E357 PolarHBondContact NH1-OE1 2.95Å; R155-E357 IonicContact NH1-OE2 3.48Å; R155-E357 PolarHBondContact NH1-OE2 2.9Å; I293-E357 HydrophobicContact CD1-CB 3.69Å; I293-E357 HydrophobicContact CD1-CG 3.79Å; I293-E357 HydrophobicContact CG1-CB 4.17Å; I293-E357 HydrophobicContact CG2-CB 4.37Å; E357-E359 VanDerWaalsContact C-N 3.25Å; E357-E359 PolarHBondContact O-N 3.42Å; E357-P466 HydrophobicContact CG-CB 4.35Å; E357-P466 HydrophobicContact CG-CG 4.12Å
358	G	97.7	Very high	97.2	Very high	39 Å²	39	43.6 Å²	43.6	40%	0.402	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.2	-8.5	-179.2	0	0	0	0	0	114.3	L464	G358-L464 PolarHBondContact N-O 3.29Å
359	E	98.8	Very high	97.3	Very high	42 Å²	42	37.9 Å²	37.9	20%	0.196	23%	0.228	C	C	.	.			trans	-70.8	155.8	174.1	-66.1	-172.4	140.8	0	0	112.1	K342 E356 E357 Y361 L464	K342-E359 WeakPolarHBondContact CD-OE1 3.27Å; K342-E359 VanDerWaalsContact CE-OE1 3.28Å; K342-E359 WeakPolarHBondContact CE-OE1 3.5Å; K342-E359 VanDerWaalsContact NZ-CD 3.35Å; K342-E359 IonicContact NZ-OE1 3.67Å; K342-E359 PolarHBondContact NZ-OE1 3.44Å; K342-E359 IonicContact NZ-OE2 3.75Å; K342-E359 PolarHBondContact NZ-OE2 3.26Å; E356-E359 HydrophobicContact CB-CG 3.99Å; E356-E359 PolarHBondContact N-OE2 3.23Å; E356-E359 WeakPolarHBondContact O-CB 3.47Å; E356-E359 PolarHBondContact O-N 3.37Å; E357-E359 VanDerWaalsContact C-N 3.25Å; E357-E359 PolarHBondContact O-N 3.42Å; E359-Y361 HydrophobicContact CB-CD2 4.19Å; E359-Y361 HydrophobicContact CB-CE2 3.58Å; E359-Y361 HydrophobicContact CG-CE2 4.43Å; E359-Y361 VanDerWaalsContact OE2-CE2 3.26Å; E359-Y361 WeakPolarHBondContact OE2-CE2 3.46Å; E359-Y361 VanDerWaalsContact OE2-CZ 3.3Å; E359-Y361 PolarHBondContact OE2-OH 2.8Å; E359-L464 HydrophobicContact CB-CD1 4.46Å; E359-L464 WeakPolarHBondContact O-CB 3.41Å; E359-L464 PolarHBondContact O-N 3.36Å
360	V	98.9	Very high	97.6	Very high	9 Å²	9	34.7 Å²	34.7	6%	0.055	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	137.8	175.4	179.1	0	0	0	0	107.4	F169 S332 I333 T461 I462 L463	F169-V360 HydrophobicContact CE1-CG1 3.96Å; F169-V360 HydrophobicContact CE1-CG2 4.42Å; F169-V360 HydrophobicContact CE2-CG2 3.95Å; F169-V360 HydrophobicContact CZ-CB 4.31Å; F169-V360 HydrophobicContact CZ-CG1 4.04Å; F169-V360 HydrophobicContact CZ-CG2 3.69Å; S332-V360 CarbonylContact C-O 3.58Å; S332-V360 VanDerWaalsContact CA-O 3.27Å; S332-V360 WeakPolarHBondContact CA-O 3.29Å; I333-V360 HydrophobicContact CB-CB 4.25Å; I333-V360 HydrophobicContact CB-CG1 3.96Å; I333-V360 HydrophobicContact CD1-CG1 4.33Å; I333-V360 HydrophobicContact CG2-CG1 4.42Å; I333-V360 PolarHBondContact N-O 2.8Å; V360-T461 HydrophobicContact CG1-CG2 3.57Å; V360-I462 WeakPolarHBondContact CA-O 3.3Å; V360-I462 WeakPolarHBondContact CG1-O 3.28Å; V360-L463 HydrophobicContact CB-CD2 4.39Å; V360-L463 HydrophobicContact CG1-CD2 3.9Å; V360-L463 HydrophobicContact CG2-CD2 3.69Å
361	Y	98.9	Very high	98	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	138	-179.6	-75	-90.7	0	0	0	111.3	L297 H331 K342 V344 M355 E359 T461 I462 L464	L297-Y361 HydrophobicContact CD2-CE1 4.13Å; H331-Y361 CarbonylContact O-C 3.49Å; H331-Y361 VanDerWaalsContact O-CA 3.27Å; H331-Y361 WeakPolarHBondContact O-CA 3.34Å; K342-Y361 HydrophobicContact CB-CE1 4.28Å; K342-Y361 WeakPolarHBondContact CD-OH 3.38Å; V344-Y361 HydrophobicContact CG2-CD1 3.43Å; V344-Y361 VanDerWaalsContact CG2-CD1 3.43Å; V344-Y361 HydrophobicContact CG2-CE1 3.83Å; V344-Y361 HydrophobicContact CG2-CG 4.43Å; M355-Y361 HydrophobicContact CB-CE2 4.03Å; M355-Y361 HydrophobicContact CE-CD1 4.14Å; M355-Y361 HydrophobicContact CE-CD2 4.39Å; M355-Y361 HydrophobicContact CE-CE1 4.21Å; M355-Y361 HydrophobicContact CE-CE2 4.47Å; M355-Y361 HydrophobicContact CE-CG 4.23Å; M355-Y361 HydrophobicContact CG-CD2 4.49Å; M355-Y361 HydrophobicContact CG-CE1 4.35Å; M355-Y361 HydrophobicContact CG-CE2 3.78Å; M355-Y361 HydrophobicContact SD-CD2 4.38Å; M355-Y361 HydrophobicContact SD-CE2 4.23Å; E359-Y361 HydrophobicContact CB-CD2 4.19Å; E359-Y361 HydrophobicContact CB-CE2 3.58Å; E359-Y361 HydrophobicContact CG-CE2 4.43Å; E359-Y361 VanDerWaalsContact OE2-CE2 3.26Å; E359-Y361 WeakPolarHBondContact OE2-CE2 3.46Å; E359-Y361 VanDerWaalsContact OE2-CZ 3.3Å; E359-Y361 PolarHBondContact OE2-OH 2.8Å; Y361-T461 CarbonylContact O-C 3.54Å; Y361-T461 VanDerWaalsContact O-CA 3.3Å; Y361-T461 WeakPolarHBondContact O-CA 3.35Å; Y361-I462 PolarHBondContact N-O 3.07Å; Y361-I462 PolarHBondContact O-N 2.93Å; Y361-L464 HydrophobicContact CD2-CD1 3.87Å; Y361-L464 HydrophobicContact CD2-CG 4.27Å; Y361-L464 HydrophobicContact CE2-CD1 3.75Å
362	A	98.9	Very high	98.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	114.9	155	0	0	0	0	0	107.7	D262 G330 H331 I333 E459	D262-A362 HydrophobicContact CB-CB 4.11Å; G330-A362 VanDerWaalsContact CA-O 3.31Å; G330-A362 WeakPolarHBondContact CA-O 3.29Å; H331-A362 VanDerWaalsContact CE1-CB 3.43Å; H331-A362 WeakPolarHBondContact CE1-CB 3.3Å; H331-A362 PolarHBondContact N-O 3.4Å; H331-A362 PolarHBondContact O-N 3.1Å; I333-A362 HydrophobicContact CD1-CB 3.82Å; I333-A362 HydrophobicContact CG1-CB 4.33Å; A362-E459 WeakPolarHBondContact CB-OE1 3.25Å
363	I	98.9	Very high	98.6	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	98.4	172.1	-53.7	-61.1	0	0	0	107.2	T284 I288 A291 V344 M355 E459 H460 I462	T284-I363 WeakPolarHBondContact CG2-O 3.35Å; I288-I363 HydrophobicContact CG1-CB 3.87Å; I288-I363 HydrophobicContact CG1-CG1 4.28Å; I288-I363 HydrophobicContact CG1-CG2 3.83Å; A291-I363 HydrophobicContact CB-CD1 4.33Å; V344-I363 HydrophobicContact CG1-CD1 4.16Å; V344-I363 HydrophobicContact CG2-CD1 4.07Å; M355-I363 HydrophobicContact CE-CD1 4.11Å; I363-E459 VanDerWaalsContact O-CA 3.31Å; I363-E459 WeakPolarHBondContact O-CA 3.42Å; I363-H460 PolarHBondContact N-O 2.65Å; I363-H460 PolarHBondContact O-N 2.76Å; I363-H460 VanDerWaalsContact O-N 3.07Å; I363-I462 HydrophobicContact CD1-CD1 4.08Å; I363-I462 HydrophobicContact CG1-CD1 3.7Å; I363-I462 HydrophobicContact CG1-CG1 3.99Å; I363-I462 HydrophobicContact CG1-CG2 4.37Å
364	E	98.9	Very high	98.7	Very high	19 Å²	19	30.2 Å²	30.2	9%	0.089	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	148	176.8	46.9	176.2	168	0	0	111.3	G330 H331 I346 F366 Q457 F458 E459	G330-E364 VanDerWaalsContact CA-CG 3.49Å; H331-E364 IonicContact CD2-OE1 2.88Å; H331-E364 PolarHBondContact CD2-OE1 2.86Å; H331-E364 IonicContact NE2-OE1 3.57Å; I346-E364 WeakPolarHBondContact CG2-O 3.26Å; E364-F366 HydrophobicContact CB-CE2 4.29Å; E364-F366 HydrophobicContact CG-CE2 4.14Å; E364-F366 WeakPolarHBondContact OE2-CE2 3.43Å; E364-F366 WeakPolarHBondContact OE2-CZ 3.27Å; E364-Q457 PolarHBondContact OE2-NE2 3.3Å; E364-Q457 VanDerWaalsContact OE2-NE2 3.1Å; E364-F458 WeakPolarHBondContact CA-O 3.35Å; E364-E459 HydrophobicContact CB-CB 3.67Å; E364-E459 HydrophobicContact CB-CG 3.66Å; E364-E459 HydrophobicContact CG-CG 4.49Å
365	T	98.9	Very high	98.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	149.9	171.5	74	0	0	0	0	110.7	V280 T284 I304 M308 I346 Q457 F458	V280-T365 VanDerWaalsContact CG1-O 3.27Å; V280-T365 WeakPolarHBondContact CG1-O 3.21Å; V280-T365 PolarHBondContact O-OG1 3.3Å; T284-T365 PolarHBondContact OG1-OG1 3.1Å; I304-T365 HydrophobicContact CD1-CG2 3.94Å; I304-T365 HydrophobicContact CG1-CG2 4.17Å; I304-T365 HydrophobicContact CG2-CG2 3.55Å; M308-T365 WeakPolarHBondContact CE-OG1 3.49Å; I346-T365 HydrophobicContact CG2-CG2 4.07Å; T365-Q457 WeakPolarHBondContact O-CA 3.49Å; T365-F458 PolarHBondContact N-O 3.29Å; T365-F458 VanDerWaalsContact N-O 3.17Å; T365-F458 PolarHBondContact O-N 3.11Å
366	F	98.9	Very high	98.7	Very high	3 Å²	3	33.5 Å²	33.5	1%	0.013	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	117.7	-179.1	-61.2	-95.6	0	0	0	109.8	A229 A230 P324 I325 L328 I346 E364 A456 Q457	A229-F366 HydrophobicContact CB-CD1 4.06Å; A229-F366 HydrophobicContact CB-CE1 4.42Å; A230-F366 HydrophobicContact CB-CE1 4.22Å; A230-F366 HydrophobicContact CB-CZ 4.39Å; P324-F366 CarbonylContact C-O 3.45Å; P324-F366 VanDerWaalsContact CA-O 3.28Å; P324-F366 WeakPolarHBondContact CA-O 3.49Å; I325-F366 HydrophobicContact CB-CB 3.97Å; I325-F366 HydrophobicContact CD1-CB 3.73Å; I325-F366 HydrophobicContact CG1-CB 3.81Å; I325-F366 PolarHBondContact N-O 2.68Å; L328-F366 HydrophobicContact CB-CD2 3.66Å; L328-F366 HydrophobicContact CB-CE2 3.93Å; L328-F366 HydrophobicContact CB-CG 4.34Å; L328-F366 HydrophobicContact CD1-CB 4.19Å; L328-F366 HydrophobicContact CD1-CD1 3.79Å; L328-F366 HydrophobicContact CD1-CD2 3.65Å; L328-F366 HydrophobicContact CD1-CE1 3.97Å; L328-F366 HydrophobicContact CD1-CE2 3.86Å; L328-F366 HydrophobicContact CD1-CG 3.61Å; L328-F366 HydrophobicContact CD1-CZ 4Å; L328-F366 HydrophobicContact CG-CD2 4.3Å; L328-F366 HydrophobicContact CG-CE2 4.45Å; I346-F366 HydrophobicContact CD1-CB 4.39Å; I346-F366 HydrophobicContact CD1-CD2 4.45Å; E364-F366 HydrophobicContact CB-CE2 4.29Å; E364-F366 HydrophobicContact CG-CE2 4.14Å; E364-F366 WeakPolarHBondContact OE2-CE2 3.43Å; E364-F366 WeakPolarHBondContact OE2-CZ 3.27Å; F366-A456 VanDerWaalsContact CA-O 3.29Å; F366-A456 WeakPolarHBondContact CA-O 3.43Å; F366-Q457 HydrophobicContact CD1-CB 3.72Å; F366-Q457 HydrophobicContact CD1-CG 3.79Å; F366-Q457 HydrophobicContact CE1-CB 3.68Å; F366-Q457 HydrophobicContact CE1-CG 3.35Å; F366-Q457 HydrophobicContact CE2-CG 4.38Å; F366-Q457 HydrophobicContact CG-CG 4.48Å; F366-Q457 HydrophobicContact CZ-CG 3.69Å; F366-Q457 VanDerWaalsContact CZ-NE2 3.3Å
367	G	98.9	Very high	98.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	139.3	172.5	0	0	0	0	0	110.8	V280 K323 T455 A456	V280-G367 VanDerWaalsContact CG2-CA 3.49Å; K323-G367 CarbonylContact O-C 3.58Å; K323-G367 WeakPolarHBondContact O-CA 3.37Å; G367-T455 CarbonylContact O-C 3.53Å; G367-T455 WeakPolarHBondContact O-CA 3.33Å; G367-A456 PolarHBondContact N-O 3.39Å; G367-A456 PolarHBondContact O-N 3.39Å
368	S	98.9	Very high	98.7	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	144.3	-179.3	179.7	0	0	0	0	111.6	K323 G370 D449 Y454	K323-S368 PolarHBondContact N-O 3.43Å; K323-S368 PolarHBondContact O-N 2.85Å; S368-G370 VanDerWaalsContact C-N 3.32Å; S368-G370 PolarHBondContact OG-N 2.86Å; S368-D449 WeakPolarHBondContact CB-OD2 3.49Å; S368-D449 PolarHBondContact OG-OD2 2.95Å; S368-Y454 WeakPolarHBondContact CA-O 3.14Å
369	T	98.9	Very high	98.7	Very high	10 Å²	10	36.6 Å²	36.6	6%	0.061	18%	0.183	C	C	.	.	S	Bend	trans	-87.9	-1.7	166.3	63.2	0	0	0	0	113.2	V313 L315 Y320 Y454	V313-T369 HydrophobicContact CG2-CG2 4.08Å; L315-T369 HydrophobicContact CD1-CG2 3.92Å; Y320-T369 WeakPolarHBondContact CD1-O 3.3Å; Y320-T369 HydrophobicContact CD2-CG2 4.28Å; Y320-T369 HydrophobicContact CG-CG2 4.08Å; T369-Y454 PolarHBondContact N-O 3.48Å; T369-Y454 PolarHBondContact OG1-N 2.81Å
370	G	98.4	Very high	98.7	Very high	13 Å²	13	35.5 Å²	35.5	13%	0.134	18%	0.181	C	C	.	.	S	Bend	trans	-92.1	-134.1	-176.5	0	0	0	0	0	113.9	K323 S368 G372 C453	K323-G370 PolarHBondContact NZ-O 2.83Å; K323-G370 VanDerWaalsContact NZ-O 3.14Å; S368-G370 VanDerWaalsContact C-N 3.32Å; S368-G370 PolarHBondContact OG-N 2.86Å; G370-G372 VanDerWaalsContact C-N 3.34Å; G370-C453 VanDerWaalsContact CA-CB 3.47Å
371	K	98.5	Very high	98.7	Very high	142 Å²	142	35.1 Å²	35.1	62%	0.617	18%	0.178	S	C	*	.			trans	-82.4	-13.4	178.5	-72.4	-173.7	178.4	174.6	0	113	R326 V373 D449 T450	R326-K371 PolarHBondContact NH1-O 3.39Å; K371-V373 VanDerWaalsContact C-N 3.32Å; K371-D449 PolarHBondContact N-OD1 3.22Å; K371-D449 PolarHBondContact N-OD2 2.59Å; K371-T450 HydrophobicContact CB-CG2 4.43Å; K371-T450 HydrophobicContact CD-CG2 3.58Å; K371-T450 HydrophobicContact CG-CG2 3.73Å
372	G	98.6	Very high	98.7	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.01	18%	0.181	C	C	.	.	S	Bend	trans	66.3	38.5	-172.1	0	0	0	0	0	111	R326 G370 D449	R326-G372 WeakPolarHBondContact CG-O 3.31Å; R326-G372 PolarHBondContact N-O 3.11Å; R326-G372 PolarHBondContact NH1-O 3.08Å; G370-G372 VanDerWaalsContact C-N 3.34Å; G372-D449 WeakPolarHBondContact CA-OD2 3.41Å; G372-D449 PolarHBondContact N-OD2 3.12Å
373	V	98.8	Very high	98.7	Very high	39 Å²	39	36.5 Å²	36.5	24%	0.236	18%	0.184	C	C	.	.			trans	-147	133.8	176.1	-171.5	0	0	0	0	108.9	R326 N327 K371 D449	R326-V373 HydrophobicContact CG-CG2 4.36Å; N327-V373 VanDerWaalsContact OD1-CA 3.29Å; N327-V373 WeakPolarHBondContact OD1-CA 2.97Å; N327-V373 WeakPolarHBondContact OD1-CG1 3.41Å; K371-V373 VanDerWaalsContact C-N 3.32Å; V373-D449 PolarHBondContact N-OD2 2.87Å; V373-D449 WeakPolarHBondContact O-CA 3.43Å; V373-D449 WeakPolarHBondContact O-CB 3.22Å; V373-D449 VanDerWaalsContact O-CG 3.31Å
374	V	98.9	Very high	98.7	Very high	7 Å²	7	37.4 Å²	37.4	4%	0.042	19%	0.188	C	C	.	.			trans	-99	152.4	170.7	-69.1	0	0	0	0	112.3	A229 I325 N327 L328 L447 C448	A229-V374 HydrophobicContact CB-CG1 3.91Å; I325-V374 HydrophobicContact CD1-CG1 4.03Å; I325-V374 HydrophobicContact CG2-CB 4.29Å; I325-V374 HydrophobicContact CG2-CG1 3.67Å; I325-V374 HydrophobicContact CG2-CG2 4.06Å; N327-V374 PolarHBondContact ND2-O 3.49Å; N327-V374 PolarHBondContact OD1-N 3.07Å; L328-V374 HydrophobicContact CD1-CG1 4.15Å; L328-V374 HydrophobicContact CD1-CG2 4.21Å; L328-V374 HydrophobicContact CD2-CG2 3.82Å; L328-V374 HydrophobicContact CG-CG2 3.74Å; V374-L447 HydrophobicContact CB-CB 3.9Å; V374-L447 HydrophobicContact CG1-CB 4.25Å; V374-L447 HydrophobicContact CG2-CB 3.96Å; V374-L447 HydrophobicContact CG2-CD1 4.45Å; V374-C448 CarbonylContact C-O 3.53Å; V374-C448 WeakPolarHBondContact CA-O 3.31Å
375	H	98.7	Very high	98.7	Very high	99 Å²	99	38 Å²	38	46%	0.458	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	156.8	168.4	55.4	-72	0	0	0	108.6	D377 C448	H375-D377 PolarHBondContact O-N 3.32Å; H375-C448 PolarHBondContact CE1-O 2.86Å; H375-C448 PolarHBondContact N-O 2.64Å; H375-C448 PolarHBondContact ND1-O 3.29Å; H375-C448 PolarHBondContact O-N 3.03Å
376	D	98.7	Very high	98.7	Very high	109 Å²	109	40.1 Å²	40.1	58%	0.583	20%	0.202	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-61.5	128.7	173.7	-59.1	-3.7	0	0	0	109.5	P445 P446 L447	D376-P445 HydrophobicContact CB-CB 4.17Å; D376-P445 HydrophobicContact CB-CG 3.64Å; D376-P445 WeakPolarHBondContact OD2-CG 3.42Å; D376-P446 WeakPolarHBondContact CA-O 3.45Å; D376-L447 VanDerWaalsContact OD1-CD2 3.31Å; D376-L447 WeakPolarHBondContact OD1-CD2 3.41Å
377	D	98.1	Very high	98.7	Very high	72 Å²	72	44.2 Å²	44.2	39%	0.385	22%	0.22	S	C	.	.			trans	-146.9	169.6	173.4	-165.3	14.2	0	0	0	110.3	H375 P446 C448	H375-D377 PolarHBondContact O-N 3.32Å; D377-P446 PolarHBondContact N-O 2.85Å; D377-P446 WeakPolarHBondContact O-CB 3.49Å; D377-P446 WeakPolarHBondContact O-CD 3.48Å; D377-C448 HydrophobicContact CB-CB 3.99Å
378	M	98.3	Very high	98.6	Very high	88 Å²	88	49.8 Å²	49.8	43%	0.433	25%	0.25	S	C	.	.	S	Bend	trans	61.9	-173.2	178.8	-50.9	-173.3	-68.3	0	0	114	C228 Y232 P446	C228-M378 HydrophobicContact CB-CE 3.87Å; C228-M378 WeakPolarHBondContact SG-CE 3.36Å; Y232-M378 HydrophobicContact CD2-CE 3.99Å; Y232-M378 HydrophobicContact CG-CE 4.29Å; M378-P446 HydrophobicContact CB-CB 4.45Å; M378-P446 HydrophobicContact CB-CG 4.2Å; M378-P446 HydrophobicContact CE-CB 3.4Å; M378-P446 HydrophobicContact CE-CG 3.91Å
379	E	98.4	Very high	98.4	Very high	114 Å²	114	51.8 Å²	51.8	53%	0.533	26%	0.262	S	S	.	.			trans	-80.4	129	178.6	-168	-178.9	-163.7	0	0	111	N235 S381 R417	N235-E379 PolarHBondContact ND2-OE2 2.78Å; E379-S381 PolarHBondContact O-N 2.81Å; E379-R417 IonicContact OE1-CZ 3.48Å; E379-R417 IonicContact OE1-NH1 2.69Å; E379-R417 PolarHBondContact OE1-NH1 2.94Å; E379-R417 IonicContact OE1-NH2 2.79Å
380	C	98.8	Very high	98.2	Very high	20 Å²	20	53.8 Å²	53.8	14%	0.135	28%	0.284	C	S	.	.			trans	-65.5	129.4	175.5	-179.7	0	0	0	0	111.8	N235 H382 Y383 R417 P445	N235-C380 PolarHBondContact ND2-O 3.06Å; C380-H382 PolarHBondContact SG-O 3.27Å; C380-Y383 PolarHBondContact O-OH 2.65Å; C380-R417 VanDerWaalsContact O-CZ 3.27Å; C380-R417 PolarHBondContact O-NE 3.26Å; C380-R417 PolarHBondContact O-NH2 3.19Å; C380-P445 HydrophobicContact CB-CB 4.14Å
381	S	98.8	Very high	98	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.007	32%	0.316	C	S	.	.			trans	-119.1	-28.2	176	54.5	0	0	0	0	113.8	T233 N235 E379 Y383 C416 R417	T233-S381 WeakPolarHBondContact CG2-OG 3.31Å; T233-S381 PolarHBondContact N-OG 2.79Å; T233-S381 WeakPolarHBondContact O-CB 3.23Å; T233-S381 PolarHBondContact O-OG 3.17Å; N235-S381 WeakPolarHBondContact OD1-CB 3.27Å; E379-S381 PolarHBondContact O-N 2.81Å; S381-Y383 WeakPolarHBondContact O-CD2 3.37Å; S381-Y383 WeakPolarHBondContact O-CE2 3.45Å; S381-C416 WeakPolarHBondContact O-CA 3.2Å; S381-C416 VanDerWaalsContact O-CB 3.3Å; S381-C416 WeakPolarHBondContact O-CB 3.47Å; S381-R417 PolarHBondContact O-N 3.49Å
382	H	98.9	Very high	97.7	Very high	12 Å²	12	57 Å²	57	6%	0.056	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	139	-179.8	-68.1	66.3	0	0	0	112	H231 T233 C380 Y444	H231-H382 PolarHBondContact O-CE1 3.02Å; H231-H382 VanDerWaalsContact O-CE1 3.29Å; H231-H382 PolarHBondContact O-ND1 2.9Å; T233-H382 VanDerWaalsContact CG2-CE1 3.47Å; T233-H382 WeakPolarHBondContact CG2-CE1 3.36Å; C380-H382 PolarHBondContact SG-O 3.27Å; H382-Y444 WeakPolarHBondContact CB-O 3.39Å; H382-Y444 PolarHBondContact O-N 3.29Å
383	Y	98.9	Very high	97.3	Very high	16 Å²	16	62.1 Å²	62.1	6%	0.063	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	147.2	178.1	-62.3	-89.6	0	0	0	108.9	C380 S381 A414 F415 R417 L432 V441 D442 P443	C380-Y383 PolarHBondContact O-OH 2.65Å; S381-Y383 WeakPolarHBondContact O-CD2 3.37Å; S381-Y383 WeakPolarHBondContact O-CE2 3.45Å; Y383-A414 CarbonylContact O-C 3.52Å; Y383-A414 WeakPolarHBondContact O-CA 3.24Å; Y383-F415 VanDerWaalsContact CB-CZ 3.46Å; Y383-F415 HydrophobicContact CD2-CE2 4.4Å; Y383-F415 HydrophobicContact CG-CE2 4.26Å; Y383-F415 HydrophobicContact CG-CZ 4.37Å; Y383-F415 PolarHBondContact N-O 2.93Å; Y383-F415 WeakPolarHBondContact O-CD1 3.49Å; Y383-F415 PolarHBondContact O-N 3.36Å; Y383-F415 VanDerWaalsContact O-O 3.12Å; Y383-R417 HydrophobicContact CE2-CG 3.81Å; Y383-R417 PolarHBondContact OH-NE 2.97Å; Y383-R417 PolarHBondContact OH-NH2 2.83Å; Y383-L432 HydrophobicContact CD1-CD1 4.01Å; Y383-L432 HydrophobicContact CD1-CD2 4Å; Y383-L432 HydrophobicContact CD1-CG 4.03Å; Y383-L432 HydrophobicContact CD2-CD2 3.88Å; Y383-L432 HydrophobicContact CE1-CD1 4.39Å; Y383-L432 HydrophobicContact CE1-CD2 3.73Å; Y383-L432 HydrophobicContact CE1-CG 3.89Å; Y383-L432 HydrophobicContact CE2-CD2 3.62Å; Y383-L432 HydrophobicContact CG-CD1 4.21Å; Y383-L432 HydrophobicContact CG-CD2 4.07Å; Y383-L432 HydrophobicContact CG-CG 4.45Å; Y383-V441 HydrophobicContact CD1-CG1 4.17Å; Y383-V441 HydrophobicContact CG-CG1 4.45Å; Y383-D442 WeakPolarHBondContact CA-O 3.33Å; Y383-P443 HydrophobicContact CD1-CB 4.13Å; Y383-P443 HydrophobicContact CE1-CB 3.94Å
384	M	98.9	Very high	97	Very high	20 Å²	20	61.3 Å²	61.3	10%	0.099	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	141.5	174.7	-170.9	167.9	58.8	0	0	109.6	I338 N386 T412 A414 V441 D442 Y444	I338-M384 HydrophobicContact CG2-CE 3.78Å; I338-M384 HydrophobicContact CG2-SD 3.59Å; I338-M384 VanDerWaalsContact CG2-SD 3.59Å; M384-N386 PolarHBondContact O-N 3.42Å; M384-T412 VanDerWaalsContact CG-O 3.28Å; M384-T412 WeakPolarHBondContact CG-O 3.37Å; M384-A414 HydrophobicContact CB-CB 4.05Å; M384-A414 HydrophobicContact CG-CB 4.14Å; M384-A414 HydrophobicContact SD-CB 3.97Å; M384-V441 CarbonylContact O-C 3.51Å; M384-V441 WeakPolarHBondContact O-CA 3.26Å; M384-D442 PolarHBondContact N-O 3.36Å; M384-D442 PolarHBondContact O-N 2.93Å; M384-Y444 HydrophobicContact CB-CD2 4.26Å; M384-Y444 HydrophobicContact CB-CE2 3.77Å; M384-Y444 HydrophobicContact CE-CE2 4.03Å; M384-Y444 WeakPolarHBondContact CE-OH 3.19Å
385	K	98.8	Very high	96.7	Very high	33 Å²	33	72.5 Å²	72.5	14%	0.143	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	134.2	173.5	-170.8	-175.1	174.6	-174.1	0	109	F387 I406 N407 G411 I440	K385-F387 PolarHBondContact O-N 3.25Å; K385-F387 VanDerWaalsContact O-N 3.16Å; K385-I406 HydrophobicContact CB-CG2 4.44Å; K385-N407 PolarHBondContact NZ-OD1 3.47Å; K385-G411 WeakPolarHBondContact CB-O 3.35Å; K385-G411 WeakPolarHBondContact CD-O 3.33Å; K385-I440 WeakPolarHBondContact CA-O 3.27Å; K385-I440 VanDerWaalsContact CG-O 3.32Å; K385-I440 WeakPolarHBondContact CG-O 3.43Å
386	N	98.6	Very high	96.5	Very high	44 Å²	44	72.6 Å²	72.6	24%	0.235	37%	0.373	C	S	.	.			trans	-62	120	173.9	-169.9	-59.3	0	0	0	109.3	M384 D388 V389 I440 D442	M384-N386 PolarHBondContact O-N 3.42Å; N386-D388 VanDerWaalsContact C-N 3.26Å; N386-D388 PolarHBondContact O-N 3.07Å; N386-D388 PolarHBondContact OD1-N 2.92Å; N386-V389 HydrophobicContact CB-CB 4.15Å; N386-V389 HydrophobicContact CB-CG2 3.76Å; N386-V389 PolarHBondContact O-N 3.11Å; N386-I440 PolarHBondContact N-O 3.38Å; N386-D442 WeakPolarHBondContact CB-OD2 3.42Å; N386-D442 PolarHBondContact ND2-OD2 2.93Å
387	F	98	Very high	96.4	Very high	89 Å²	89	72.4 Å²	72.4	39%	0.39	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-34.9	-173.1	-175.1	-86.8	0	0	0	112.5	R337 K385 V389 T412	R337-F387 HydrophobicContact CB-CD2 3.8Å; R337-F387 HydrophobicContact CB-CE2 3.82Å; R337-F387 HydrophobicContact CG-CB 4.47Å; R337-F387 HydrophobicContact CG-CD2 3.86Å; R337-F387 HydrophobicContact CG-CE2 4.26Å; R337-F387 HydrophobicContact CG-CG 4.1Å; K385-F387 PolarHBondContact O-N 3.25Å; K385-F387 VanDerWaalsContact O-N 3.16Å; F387-V389 VanDerWaalsContact C-N 3.31Å; F387-T412 HydrophobicContact CD2-CG2 3.8Å; F387-T412 HydrophobicContact CE2-CG2 4.43Å; F387-T412 HydrophobicContact CG-CG2 4.48Å
388	D	97	Very high	96.4	Very high	116 Å²	116	77.3 Å²	77.3	62%	0.62	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-7.6	-173.1	-57.3	-50.3	0	0	0	111.9	R337 N386	R337-D388 IonicContact CZ-OD1 3.24Å; R337-D388 IonicContact NH1-OD1 2.77Å; R337-D388 PolarHBondContact NH1-OD1 2.76Å; R337-D388 IonicContact NH2-OD1 3.31Å; R337-D388 IonicContact NH2-OD2 2.78Å; R337-D388 PolarHBondContact NH2-OD2 3.32Å; N386-D388 VanDerWaalsContact C-N 3.26Å; N386-D388 PolarHBondContact O-N 3.07Å; N386-D388 PolarHBondContact OD1-N 2.92Å
389	V	96.3	Very high	96.3	Very high	42 Å²	42	73.1 Å²	73.1	26%	0.255	37%	0.371	S	S	.	.			trans	-85.4	115.3	177	175.5	0	0	0	0	111.1	N386 F387 V392 I440	N386-V389 HydrophobicContact CB-CB 4.15Å; N386-V389 HydrophobicContact CB-CG2 3.76Å; N386-V389 PolarHBondContact O-N 3.11Å; F387-V389 VanDerWaalsContact C-N 3.31Å; V389-V392 HydrophobicContact CG1-CG2 3.8Å; V389-I440 HydrophobicContact CG1-CG1 4.42Å
390	G	93.7	Very high	96.3	Very high	52 Å²	52	73.1 Å²	73.1	54%	0.536	37%	0.369	S	S	.	.			trans	-72.4	-157.5	175.2	0	0	0	0	0	114.4	V392	G390-V392 PolarHBondContact O-N 2.97Å
391	H	93.8	Very high	96.3	Very high	173 Å²	173	76.6 Å²	76.6	80%	0.801	38%	0.383	S	S	*	.			trans	-69.3	124.4	178.3	179.6	75.8	0	0	0	111.8
392	V	92.1	Very high	96.3	Very high	50 Å²	50	76.6 Å²	76.6	30%	0.303	38%	0.383	S	S	.	.			trans	-116.9	122	175.8	-176.4	0	0	0	0	110.2	V389 G390 I394 I440	V389-V392 HydrophobicContact CG1-CG2 3.8Å; G390-V392 PolarHBondContact O-N 2.97Å; V392-I394 PolarHBondContact O-N 3.04Å; V392-I440 HydrophobicContact CB-CD1 3.84Å; V392-I440 HydrophobicContact CB-CG1 4.36Å; V392-I440 HydrophobicContact CG1-CD1 3.92Å; V392-I440 HydrophobicContact CG2-CD1 4.21Å; V392-I440 HydrophobicContact CG2-CG1 4.17Å
393	P	90.4	Very high	96.3	Very high	108 Å²	108	76.6 Å²	76.6	70%	0.701	38%	0.383	S	S	*	.			trans	-75.6	107.4	179.9	28.5	-33	0	0	0	111.7
394	I	93.8	Very high	96.2	Very high	22 Å²	22	79.1 Å²	79.1	11%	0.113	40%	0.398	C	S	.	.			trans	-92.5	127.2	178.3	-58.7	-176.6	0	0	0	111.2	V392 L396 A399 K400 L403 L435 I440	V392-I394 PolarHBondContact O-N 3.04Å; I394-L396 HydrophobicContact CG2-CB 4.3Å; I394-A399 HydrophobicContact CG2-CB 3.79Å; I394-K400 HydrophobicContact CB-CB 4.11Å; I394-K400 HydrophobicContact CG2-CB 4.08Å; I394-L403 HydrophobicContact CD1-CB 4.08Å; I394-L403 HydrophobicContact CD1-CD2 3.48Å; I394-L403 VanDerWaalsContact CD1-CD2 3.48Å; I394-L403 HydrophobicContact CD1-CG 4.39Å; I394-L403 HydrophobicContact CG1-CD2 4.22Å; I394-L435 HydrophobicContact CD1-CD2 3.26Å; I394-I440 HydrophobicContact CD1-CD1 3.87Å; I394-I440 HydrophobicContact CG1-CD1 4.3Å
395	R	91.6	Very high	96.2	Very high	243 Å²	243	78.8 Å²	78.8	92%	0.917	40%	0.396	S	S	*	.			trans	-85.8	-31.8	176.9	-64.5	-177.1	-177.5	177.1	1.2	113.8	P397	R395-P397 WeakPolarHBondContact O-CD 3.38Å
396	L	94.8	Very high	96.2	Very high	100 Å²	100	77.2 Å²	77.2	52%	0.524	39%	0.39	S	S	.	.	S	Bend	trans	-70.3	116.7	-178.5	-68.3	174	0	0	0	110	I394 R398 A399 K400	I394-L396 HydrophobicContact CG2-CB 4.3Å; L396-R398 PolarHBondContact O-N 3.31Å; L396-A399 HydrophobicContact CB-CB 4.11Å; L396-A399 PolarHBondContact O-N 2.82Å; L396-A399 VanDerWaalsContact O-N 3.17Å; L396-K400 WeakPolarHBondContact O-CB 3.44Å; L396-K400 PolarHBondContact O-N 3.32Å
397	P	96.5	Very high	96.2	Very high	105 Å²	105	77.6 Å²	77.6	68%	0.682	39%	0.392	S	S	*	.	H	α-helix	trans	-57.3	-42	-170.2	-28.6	35.6	0	0	0	114.3	R395 K400 H401	R395-P397 WeakPolarHBondContact O-CD 3.38Å; P397-K400 PolarHBondContact O-N 2.84Å; P397-H401 WeakPolarHBondContact O-CB 3.46Å; P397-H401 PolarHBondContact O-N 3.08Å
398	R	97.1	Very high	96.3	Very high	175 Å²	175	79.9 Å²	79.9	66%	0.66	40%	0.404	S	S	*	.	H	α-helix	trans	-68.9	-39.4	179.3	-70.4	-171.1	179.3	161.6	3.6	113.3	L396 H401 L402 A431	L396-R398 PolarHBondContact O-N 3.31Å; R398-H401 PolarHBondContact O-N 3.3Å; R398-L402 WeakPolarHBondContact O-CB 3.29Å; R398-L402 PolarHBondContact O-N 2.96Å; R398-A431 HydrophobicContact CB-CB 4.11Å
399	A	97.4	Very high	96.3	Very high	1 Å²	1	77.2 Å²	77.2	1%	0.008	39%	0.39	C	S	.	.	H	α-helix	trans	-70.5	-36.7	176.7	0	0	0	0	0	111.4	I394 L396 L403 A431 N434 L435	I394-A399 HydrophobicContact CG2-CB 3.79Å; L396-A399 HydrophobicContact CB-CB 4.11Å; L396-A399 PolarHBondContact O-N 2.82Å; L396-A399 VanDerWaalsContact O-N 3.17Å; A399-L403 WeakPolarHBondContact O-CB 3.27Å; A399-L403 PolarHBondContact O-N 2.57Å; A399-A431 HydrophobicContact CB-CB 4.31Å; A399-N434 HydrophobicContact CB-CB 4.47Å; A399-L435 HydrophobicContact CB-CD2 4.39Å
400	K	98.1	Very high	96.5	Very high	113 Å²	113	76.1 Å²	76.1	49%	0.491	38%	0.381	S	S	.	.	H	α-helix	trans	-62.8	-47.3	172.5	-174.8	-178.9	-179.8	178.6	0	111.5	I394 L396 P397 L403 N404	I394-K400 HydrophobicContact CB-CB 4.11Å; I394-K400 HydrophobicContact CG2-CB 4.08Å; L396-K400 WeakPolarHBondContact O-CB 3.44Å; L396-K400 PolarHBondContact O-N 3.32Å; P397-K400 PolarHBondContact O-N 2.84Å; K400-L403 PolarHBondContact O-N 3.15Å; K400-N404 PolarHBondContact O-N 3.21Å; K400-N404 PolarHBondContact O-OD1 3.39Å
401	H	98.4	Very high	96.7	Very high	93 Å²	93	74.4 Å²	74.4	43%	0.431	36%	0.363	S	S	.	.	H	α-helix	trans	-57.2	-52.3	175.4	177	73.7	0	0	0	111.2	P397 R398 L403 N404 V405 E425	P397-H401 WeakPolarHBondContact O-CB 3.46Å; P397-H401 PolarHBondContact O-N 3.08Å; R398-H401 PolarHBondContact O-N 3.3Å; H401-L403 VanDerWaalsContact C-N 3.33Å; H401-L403 PolarHBondContact O-N 3.09Å; H401-N404 WeakPolarHBondContact O-CB 3.45Å; H401-N404 PolarHBondContact O-N 2.98Å; H401-N404 VanDerWaalsContact O-N 3.07Å; H401-V405 WeakPolarHBondContact O-CG2 3.4Å; H401-V405 PolarHBondContact O-N 3.42Å; H401-E425 IonicContact CD2-OE1 2.65Å; H401-E425 IonicContact CD2-OE2 2.89Å; H401-E425 PolarHBondContact CD2-OE2 2.83Å; H401-E425 IonicContact CE1-OE1 3.24Å; H401-E425 IonicContact NE2-OE1 2.81Å; H401-E425 PolarHBondContact NE2-OE1 2.91Å; H401-E425 IonicContact NE2-OE2 3.34Å; H401-E425 PolarHBondContact NE2-OE2 3.42Å
402	L	98.8	Very high	96.9	Very high	1 Å²	1	67.5 Å²	67.5	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-61.5	-39.8	-179.5	-175.2	64.7	0	0	0	112.5	R398 N404 V405 I406 L420 A431 L432 L435	R398-L402 WeakPolarHBondContact O-CB 3.29Å; R398-L402 PolarHBondContact O-N 2.96Å; L402-N404 VanDerWaalsContact C-N 3.31Å; L402-N404 PolarHBondContact O-N 3.42Å; L402-V405 WeakPolarHBondContact O-CB 3.44Å; L402-V405 PolarHBondContact O-N 2.8Å; L402-I406 HydrophobicContact CG-CD1 4.1Å; L402-I406 VanDerWaalsContact O-CG1 3.32Å; L402-I406 WeakPolarHBondContact O-CG1 3.19Å; L402-I406 PolarHBondContact O-N 3.03Å; L402-L420 HydrophobicContact CD1-CD1 4.06Å; L402-L420 HydrophobicContact CD1-CD2 3.94Å; L402-A431 HydrophobicContact CB-CB 4.34Å; L402-A431 HydrophobicContact CD2-CB 3.89Å; L402-L432 HydrophobicContact CD2-CB 3.77Å; L402-L432 HydrophobicContact CD2-CD1 4.24Å; L402-L435 HydrophobicContact CB-CD1 4.4Å; L402-L435 HydrophobicContact CD2-CD1 4Å; L402-L435 HydrophobicContact CG-CD1 4.12Å
403	L	98.6	Very high	97.2	Very high	13 Å²	13	65.5 Å²	65.5	7%	0.068	32%	0.321	C	S	.	.	H	α-helix	trans	-63.7	-37.2	175.4	179.8	59.8	0	0	0	112	I394 A399 K400 H401 I406 N407 L435 I440	I394-L403 HydrophobicContact CD1-CB 4.08Å; I394-L403 HydrophobicContact CD1-CD2 3.48Å; I394-L403 VanDerWaalsContact CD1-CD2 3.48Å; I394-L403 HydrophobicContact CD1-CG 4.39Å; I394-L403 HydrophobicContact CG1-CD2 4.22Å; A399-L403 WeakPolarHBondContact O-CB 3.27Å; A399-L403 PolarHBondContact O-N 2.57Å; K400-L403 PolarHBondContact O-N 3.15Å; H401-L403 VanDerWaalsContact C-N 3.33Å; H401-L403 PolarHBondContact O-N 3.09Å; L403-I406 PolarHBondContact O-N 2.8Å; L403-N407 WeakPolarHBondContact O-CB 3.42Å; L403-N407 VanDerWaalsContact O-CG 3.23Å; L403-N407 PolarHBondContact O-N 2.86Å; L403-N407 PolarHBondContact O-ND2 3.28Å; L403-L435 HydrophobicContact CB-CD1 4.22Å; L403-L435 HydrophobicContact CB-CD2 4.05Å; L403-I440 HydrophobicContact CD1-CG2 3.74Å; L403-I440 HydrophobicContact CD2-CG2 4.33Å
404	N	98.4	Very high	97.7	Very high	69 Å²	69	60.9 Å²	60.9	37%	0.369	29%	0.292	S	S	.	.	H	α-helix	trans	-63.1	-46	174.2	-69.1	-10.3	0	0	0	110.9	K400 H401 L402 I406 N407 E408	K400-N404 PolarHBondContact O-N 3.21Å; K400-N404 PolarHBondContact O-OD1 3.39Å; H401-N404 WeakPolarHBondContact O-CB 3.45Å; H401-N404 PolarHBondContact O-N 2.98Å; H401-N404 VanDerWaalsContact O-N 3.07Å; L402-N404 VanDerWaalsContact C-N 3.31Å; L402-N404 PolarHBondContact O-N 3.42Å; N404-I406 VanDerWaalsContact C-N 3.29Å; N404-I406 PolarHBondContact O-N 3.29Å; N404-N407 PolarHBondContact O-N 3.42Å; N404-E408 WeakPolarHBondContact O-CB 3.44Å; N404-E408 VanDerWaalsContact O-CG 3.32Å; N404-E408 WeakPolarHBondContact O-CG 3.16Å; N404-E408 PolarHBondContact O-N 3.15Å
405	V	98.8	Very high	97.9	Very high	12 Å²	12	59.8 Å²	59.8	7%	0.073	29%	0.286	C	S	.	.	H	α-helix	trans	-55.8	-45.8	174.8	174.1	0	0	0	0	110.8	H401 L402 E408 N409 L420 L423 E425	H401-V405 WeakPolarHBondContact O-CG2 3.4Å; H401-V405 PolarHBondContact O-N 3.42Å; L402-V405 WeakPolarHBondContact O-CB 3.44Å; L402-V405 PolarHBondContact O-N 2.8Å; V405-E408 PolarHBondContact O-N 2.84Å; V405-N409 WeakPolarHBondContact O-CB 3.39Å; V405-N409 PolarHBondContact O-N 3.27Å; V405-N409 PolarHBondContact O-ND2 2.81Å; V405-L420 HydrophobicContact CG1-CD2 4.26Å; V405-L423 HydrophobicContact CG1-CD1 3.92Å; V405-E425 HydrophobicContact CG1-CG 4.22Å; V405-E425 HydrophobicContact CG2-CG 4.47Å; V405-E425 WeakPolarHBondContact CG2-OE1 3.5Å
406	I	98.8	Very high	98.3	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61.7	-47.4	178	-68.6	164.1	0	0	0	111.2	K385 L402 L403 N404 E408 F410 G411 F415 L435 V441	K385-I406 HydrophobicContact CB-CG2 4.44Å; L402-I406 HydrophobicContact CG-CD1 4.1Å; L402-I406 VanDerWaalsContact O-CG1 3.32Å; L402-I406 WeakPolarHBondContact O-CG1 3.19Å; L402-I406 PolarHBondContact O-N 3.03Å; L403-I406 PolarHBondContact O-N 2.8Å; N404-I406 VanDerWaalsContact C-N 3.29Å; N404-I406 PolarHBondContact O-N 3.29Å; I406-E408 VanDerWaalsContact C-N 3.34Å; I406-E408 PolarHBondContact O-N 3.25Å; I406-F410 HydrophobicContact CB-CD2 4.44Å; I406-F410 HydrophobicContact CG1-CD2 4.38Å; I406-F410 HydrophobicContact CG2-CD2 4.44Å; I406-F410 CarbonylContact O-C 3.6Å; I406-F410 WeakPolarHBondContact O-CA 3.35Å; I406-F410 PolarHBondContact O-N 3.33Å; I406-G411 PolarHBondContact O-N 2.95Å; I406-F415 HydrophobicContact CD1-CE1 4.04Å; I406-F415 HydrophobicContact CD1-CE2 4.31Å; I406-F415 HydrophobicContact CD1-CZ 3.54Å; I406-F415 HydrophobicContact CG1-CE1 3.96Å; I406-F415 HydrophobicContact CG1-CE2 4.32Å; I406-F415 HydrophobicContact CG1-CZ 3.74Å; I406-F415 HydrophobicContact CG2-CD1 4.44Å; I406-F415 HydrophobicContact CG2-CE1 3.84Å; I406-F415 HydrophobicContact CG2-CZ 4.44Å; I406-L435 HydrophobicContact CD1-CD1 3.7Å; I406-V441 HydrophobicContact CD1-CG2 4.07Å
407	N	98.5	Very high	98.4	Very high	53 Å²	53	44.8 Å²	44.8	28%	0.283	22%	0.223	S	C	.	.	H	α-helix	trans	-63.4	-39.2	180	-70.2	-39.5	0	0	0	112.6	K385 L403 N404	K385-N407 PolarHBondContact NZ-OD1 3.47Å; L403-N407 WeakPolarHBondContact O-CB 3.42Å; L403-N407 VanDerWaalsContact O-CG 3.23Å; L403-N407 PolarHBondContact O-N 2.86Å; L403-N407 PolarHBondContact O-ND2 3.28Å; N404-N407 PolarHBondContact O-N 3.42Å
408	E	98.6	Very high	98.6	Very high	136 Å²	136	40.7 Å²	40.7	64%	0.636	19%	0.194	S	C	*	.	H	α-helix	trans	-74.1	-37	-177.4	-73.1	170.8	-164.9	0	0	112.7	N404 V405 I406	N404-E408 WeakPolarHBondContact O-CB 3.44Å; N404-E408 VanDerWaalsContact O-CG 3.32Å; N404-E408 WeakPolarHBondContact O-CG 3.16Å; N404-E408 PolarHBondContact O-N 3.15Å; V405-E408 PolarHBondContact O-N 2.84Å; I406-E408 VanDerWaalsContact C-N 3.34Å; I406-E408 PolarHBondContact O-N 3.25Å
409	N	98.8	Very high	98.6	Very high	61 Å²	61	32.8 Å²	32.8	33%	0.326	16%	0.164	S	C	.	.	H	α-helix	trans	-101.6	-30.7	-171.3	-66.3	-88.3	0	0	0	113.8	L213 V405 L423	L213-N409 WeakPolarHBondContact CD2-O 3.46Å; V405-N409 WeakPolarHBondContact O-CB 3.39Å; V405-N409 PolarHBondContact O-N 3.27Å; V405-N409 PolarHBondContact O-ND2 2.81Å; N409-L423 HydrophobicContact CB-CD1 4.03Å
410	F	98.8	Very high	98.7	Very high	19 Å²	19	32.8 Å²	32.8	8%	0.083	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.4	-29.4	-173.2	-45.7	-57.2	0	0	0	112.5	I406 T412 L413 F415 W419 L420 L423	I406-F410 HydrophobicContact CB-CD2 4.44Å; I406-F410 HydrophobicContact CG1-CD2 4.38Å; I406-F410 HydrophobicContact CG2-CD2 4.44Å; I406-F410 CarbonylContact O-C 3.6Å; I406-F410 WeakPolarHBondContact O-CA 3.35Å; I406-F410 PolarHBondContact O-N 3.33Å; F410-T412 PolarHBondContact O-N 2.85Å; F410-L413 VanDerWaalsContact O-CB 3.27Å; F410-L413 WeakPolarHBondContact O-CB 3.33Å; F410-L413 PolarHBondContact O-N 3.44Å; F410-F415 HydrophobicContact CB-CB 4.42Å; F410-F415 HydrophobicContact CB-CD1 4.22Å; F410-F415 HydrophobicContact CD1-CB 3.79Å; F410-F415 HydrophobicContact CD2-CB 3.59Å; F410-F415 AromaticContact CD2-CD1 3.64Å; F410-F415 HydrophobicContact CD2-CD1 3.64Å; F410-F415 HydrophobicContact CD2-CD2 4.2Å; F410-F415 HydrophobicContact CD2-CE1 4.38Å; F410-F415 AromaticContact CD2-CG 3.54Å; F410-F415 HydrophobicContact CD2-CG 3.54Å; F410-F415 HydrophobicContact CE1-CB 3.89Å; F410-F415 HydrophobicContact CE2-CB 3.71Å; F410-F415 HydrophobicContact CE2-CD1 4.3Å; F410-F415 HydrophobicContact CE2-CD2 4.02Å; F410-F415 AromaticContact CE2-CG 3.75Å; F410-F415 HydrophobicContact CE2-CG 3.75Å; F410-F415 HydrophobicContact CG-CB 3.66Å; F410-F415 HydrophobicContact CG-CD1 4.05Å; F410-F415 HydrophobicContact CG-CG 4.04Å; F410-F415 HydrophobicContact CZ-CB 3.86Å; F410-F415 HydrophobicContact CZ-CG 4.38Å; F410-W419 HydrophobicContact CD1-CE3 4.33Å; F410-W419 HydrophobicContact CE1-CB 4.28Å; F410-W419 AromaticContact CE1-CE3 3.86Å; F410-W419 HydrophobicContact CE1-CE3 3.86Å; F410-W419 HydrophobicContact CZ-CB 4.04Å; F410-L420 HydrophobicContact CE2-CD2 3.9Å; F410-L423 HydrophobicContact CE2-CD1 4.41Å; F410-L423 HydrophobicContact CZ-CD1 3.91Å
411	G	98.5	Very high	98.7	Very high	15 Å²	15	30.1 Å²	30.1	16%	0.155	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	-108.3	-174.3	0	0	0	0	0	110.4	K385 I406	K385-G411 WeakPolarHBondContact CB-O 3.35Å; K385-G411 WeakPolarHBondContact CD-O 3.33Å; I406-G411 PolarHBondContact O-N 2.95Å
412	T	98.8	Very high	98.7	Very high	29 Å²	29	31.8 Å²	31.8	18%	0.178	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	2.1	174.3	52.4	0	0	0	0	113.7	Y336 M384 F387 F410	Y336-T412 WeakPolarHBondContact CB-OG1 3.27Å; Y336-T412 WeakPolarHBondContact O-CB 3.35Å; Y336-T412 PolarHBondContact O-OG1 2.69Å; M384-T412 VanDerWaalsContact CG-O 3.28Å; M384-T412 WeakPolarHBondContact CG-O 3.37Å; F387-T412 HydrophobicContact CD2-CG2 3.8Å; F387-T412 HydrophobicContact CE2-CG2 4.43Å; F387-T412 HydrophobicContact CG-CG2 4.48Å; F410-T412 PolarHBondContact O-N 2.85Å
413	L	98.9	Very high	98.7	Very high	7 Å²	7	34.9 Å²	34.9	4%	0.037	17%	0.173	C	C	.	.	S	Bend	trans	-70.1	151.6	171.3	-62.5	173.2	0	0	0	110.5	H255 I260 Y336 F410	H255-L413 VanDerWaalsContact NE2-CD1 3.3Å; H255-L413 WeakPolarHBondContact NE2-CD1 3.46Å; I260-L413 HydrophobicContact CD1-CD2 3.76Å; I260-L413 HydrophobicContact CG1-CD2 4.23Å; Y336-L413 HydrophobicContact CD1-CD1 4.13Å; Y336-L413 HydrophobicContact CD1-CD2 4.25Å; Y336-L413 HydrophobicContact CD1-CG 4.13Å; F410-L413 VanDerWaalsContact O-CB 3.27Å; F410-L413 WeakPolarHBondContact O-CB 3.33Å; F410-L413 PolarHBondContact O-N 3.44Å
414	A	98.9	Very high	98.7	Very high	11 Å²	11	37 Å²	37	9%	0.091	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	151.4	175.9	0	0	0	0	0	110.8	F219 Y383 M384 W419	F219-A414 HydrophobicContact CB-CB 3.83Å; Y383-A414 CarbonylContact O-C 3.52Å; Y383-A414 WeakPolarHBondContact O-CA 3.24Å; M384-A414 HydrophobicContact CB-CB 4.05Å; M384-A414 HydrophobicContact CG-CB 4.14Å; M384-A414 HydrophobicContact SD-CB 3.97Å; A414-W419 WeakPolarHBondContact O-CZ3 3.48Å
415	F	98.9	Very high	98.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	170	177.7	65.3	-87.2	0	0	0	110.8	Y383 I406 F410 W419 L420 L432 V441	Y383-F415 VanDerWaalsContact CB-CZ 3.46Å; Y383-F415 HydrophobicContact CD2-CE2 4.4Å; Y383-F415 HydrophobicContact CG-CE2 4.26Å; Y383-F415 HydrophobicContact CG-CZ 4.37Å; Y383-F415 PolarHBondContact N-O 2.93Å; Y383-F415 WeakPolarHBondContact O-CD1 3.49Å; Y383-F415 PolarHBondContact O-N 3.36Å; Y383-F415 VanDerWaalsContact O-O 3.12Å; I406-F415 HydrophobicContact CD1-CE1 4.04Å; I406-F415 HydrophobicContact CD1-CE2 4.31Å; I406-F415 HydrophobicContact CD1-CZ 3.54Å; I406-F415 HydrophobicContact CG1-CE1 3.96Å; I406-F415 HydrophobicContact CG1-CE2 4.32Å; I406-F415 HydrophobicContact CG1-CZ 3.74Å; I406-F415 HydrophobicContact CG2-CD1 4.44Å; I406-F415 HydrophobicContact CG2-CE1 3.84Å; I406-F415 HydrophobicContact CG2-CZ 4.44Å; F410-F415 HydrophobicContact CB-CB 4.42Å; F410-F415 HydrophobicContact CB-CD1 4.22Å; F410-F415 HydrophobicContact CD1-CB 3.79Å; F410-F415 HydrophobicContact CD2-CB 3.59Å; F410-F415 AromaticContact CD2-CD1 3.64Å; F410-F415 HydrophobicContact CD2-CD1 3.64Å; F410-F415 HydrophobicContact CD2-CD2 4.2Å; F410-F415 HydrophobicContact CD2-CE1 4.38Å; F410-F415 AromaticContact CD2-CG 3.54Å; F410-F415 HydrophobicContact CD2-CG 3.54Å; F410-F415 HydrophobicContact CE1-CB 3.89Å; F410-F415 HydrophobicContact CE2-CB 3.71Å; F410-F415 HydrophobicContact CE2-CD1 4.3Å; F410-F415 HydrophobicContact CE2-CD2 4.02Å; F410-F415 AromaticContact CE2-CG 3.75Å; F410-F415 HydrophobicContact CE2-CG 3.75Å; F410-F415 HydrophobicContact CG-CB 3.66Å; F410-F415 HydrophobicContact CG-CD1 4.05Å; F410-F415 HydrophobicContact CG-CG 4.04Å; F410-F415 HydrophobicContact CZ-CB 3.86Å; F410-F415 HydrophobicContact CZ-CG 4.38Å; F415-W419 HydrophobicContact CB-CE3 3.82Å; F415-W419 HydrophobicContact CB-CZ3 4.36Å; F415-L420 HydrophobicContact CD2-CD1 4.35Å; F415-L420 HydrophobicContact CD2-CD2 4.4Å; F415-L420 HydrophobicContact CD2-CG 4.2Å; F415-L420 HydrophobicContact CE2-CD1 3.94Å; F415-L420 HydrophobicContact CE2-CD2 4.39Å; F415-L420 HydrophobicContact CE2-CG 4.26Å; F415-L432 HydrophobicContact CE2-CD1 4.27Å; F415-L432 HydrophobicContact CZ-CD1 4.14Å; F415-V441 HydrophobicContact CE1-CG1 4.41Å; F415-V441 HydrophobicContact CZ-CG1 4.13Å
416	C	98.9	Very high	98.7	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	168.6	174.5	69.8	0	0	0	0	112.4	P220 T233 S381 R418 W419 L420	P220-C416 HydrophobicContact CB-CB 3.76Å; P220-C416 HydrophobicContact CG-CB 3.59Å; T233-C416 HydrophobicContact CG2-CB 3.8Å; S381-C416 WeakPolarHBondContact O-CA 3.2Å; S381-C416 VanDerWaalsContact O-CB 3.3Å; S381-C416 WeakPolarHBondContact O-CB 3.47Å; C416-R418 VanDerWaalsContact C-N 3.34Å; C416-R418 PolarHBondContact O-N 3.2Å; C416-W419 WeakPolarHBondContact O-CB 3.41Å; C416-W419 PolarHBondContact O-N 3.03Å; C416-W419 VanDerWaalsContact O-N 3.08Å; C416-W419 VanDerWaalsContact SG-CD1 3.51Å; C416-L420 PolarHBondContact O-N 2.71Å
417	R	98.9	Very high	98.6	Very high	27 Å²	27	47.3 Å²	47.3	10%	0.102	25%	0.251	C	S	.	.	H	α-helix	trans	-57.8	-42.3	178.6	-59.9	-164.7	-172	170.4	10.9	113	N235 E379 C380 S381 Y383 W419 L420 D421 Y428	N235-R417 WeakPolarHBondContact OD1-CB 3.49Å; N235-R417 WeakPolarHBondContact OD1-CD 3.5Å; N235-R417 WeakPolarHBondContact OD1-CG 3.39Å; E379-R417 IonicContact OE1-CZ 3.48Å; E379-R417 IonicContact OE1-NH1 2.69Å; E379-R417 PolarHBondContact OE1-NH1 2.94Å; E379-R417 IonicContact OE1-NH2 2.79Å; C380-R417 VanDerWaalsContact O-CZ 3.27Å; C380-R417 PolarHBondContact O-NE 3.26Å; C380-R417 PolarHBondContact O-NH2 3.19Å; S381-R417 PolarHBondContact O-N 3.49Å; Y383-R417 HydrophobicContact CE2-CG 3.81Å; Y383-R417 PolarHBondContact OH-NE 2.97Å; Y383-R417 PolarHBondContact OH-NH2 2.83Å; R417-W419 PolarHBondContact O-N 2.95Å; R417-L420 WeakPolarHBondContact O-CA 3.44Å; R417-L420 WeakPolarHBondContact O-CB 3.41Å; R417-L420 PolarHBondContact O-N 3.46Å; R417-D421 VanDerWaalsContact O-CG 3.28Å; R417-D421 PolarHBondContact O-N 3.24Å; R417-Y428 HydrophobicContact CB-CE2 4.45Å; R417-Y428 WeakPolarHBondContact CB-OH 3.41Å; R417-Y428 HydrophobicContact CG-CE2 4.43Å; R417-Y428 PolarHBondContact O-OH 2.69Å; R417-Y428 VanDerWaalsContact O-OH 3.13Å
418	R	98.9	Very high	98.6	Very high	19 Å²	19	45.6 Å²	45.6	7%	0.072	24%	0.241	C	C	.	.	H	α-helix	trans	-56.8	-33.9	176	-70.6	-175.1	-65.6	102.9	3.2	112.6	E201 T233 P234 C416 D421 R422	E201-R418 IonicContact OE1-CZ 3.37Å; E201-R418 VanDerWaalsContact OE1-CZ 3.31Å; E201-R418 IonicContact OE1-NH1 3.51Å; E201-R418 PolarHBondContact OE1-NH1 3.3Å; E201-R418 IonicContact OE1-NH2 3.31Å; E201-R418 PolarHBondContact OE1-NH2 3.07Å; E201-R418 IonicContact OE2-NH1 3.72Å; T233-R418 PolarHBondContact OG1-NH2 3.07Å; P234-R418 WeakPolarHBondContact O-CD 3.42Å; P234-R418 WeakPolarHBondContact O-CG 3.46Å; P234-R418 PolarHBondContact O-NE 2.93Å; C416-R418 VanDerWaalsContact C-N 3.34Å; C416-R418 PolarHBondContact O-N 3.2Å; R418-D421 WeakPolarHBondContact O-CB 3.25Å; R418-D421 PolarHBondContact O-N 2.89Å; R418-R422 PolarHBondContact O-N 3.11Å
419	W	98.9	Very high	98.6	Very high	10 Å²	10	43.3 Å²	43.3	4%	0.038	23%	0.232	C	C	.	.	H	α-helix	trans	-74.6	-29.6	177.4	-64.1	-2.6	0	0	0	112.6	E201 L217 F219 P220 F410 A414 F415 C416 R417 R422 L423	E201-W419 VanDerWaalsContact CD-NE1 3.29Å; E201-W419 PolarHBondContact OE1-NE1 2.93Å; E201-W419 PolarHBondContact OE2-NE1 3.29Å; L217-W419 HydrophobicContact CB-CH2 3.64Å; L217-W419 HydrophobicContact CB-CZ2 3.98Å; L217-W419 HydrophobicContact CD1-CH2 4.16Å; L217-W419 HydrophobicContact CD1-CZ2 3.6Å; L217-W419 HydrophobicContact CG-CZ2 4.44Å; F219-W419 WeakPolarHBondContact O-CH2 3.39Å; P220-W419 HydrophobicContact CB-CH2 4.37Å; P220-W419 HydrophobicContact CB-CZ2 4.2Å; P220-W419 HydrophobicContact CG-CH2 4.22Å; P220-W419 HydrophobicContact CG-CZ2 4.46Å; P220-W419 HydrophobicContact CG-CZ3 4.23Å; F410-W419 HydrophobicContact CD1-CE3 4.33Å; F410-W419 HydrophobicContact CE1-CB 4.28Å; F410-W419 AromaticContact CE1-CE3 3.86Å; F410-W419 HydrophobicContact CE1-CE3 3.86Å; F410-W419 HydrophobicContact CZ-CB 4.04Å; A414-W419 WeakPolarHBondContact O-CZ3 3.48Å; F415-W419 HydrophobicContact CB-CE3 3.82Å; F415-W419 HydrophobicContact CB-CZ3 4.36Å; C416-W419 WeakPolarHBondContact O-CB 3.41Å; C416-W419 PolarHBondContact O-N 3.03Å; C416-W419 VanDerWaalsContact O-N 3.08Å; C416-W419 VanDerWaalsContact SG-CD1 3.51Å; R417-W419 PolarHBondContact O-N 2.95Å; W419-R422 WeakPolarHBondContact O-CG 3.3Å; W419-L423 VanDerWaalsContact O-CG 3.32Å; W419-L423 WeakPolarHBondContact O-CG 3.22Å; W419-L423 PolarHBondContact O-N 2.82Å
420	L	98.9	Very high	98.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-67.7	-43.2	167.3	-63.7	175.7	0	0	0	110.5	L402 V405 F410 F415 C416 R417 R422 L423 G424 E425 Y428 L432	L402-L420 HydrophobicContact CD1-CD1 4.06Å; L402-L420 HydrophobicContact CD1-CD2 3.94Å; V405-L420 HydrophobicContact CG1-CD2 4.26Å; F410-L420 HydrophobicContact CE2-CD2 3.9Å; F415-L420 HydrophobicContact CD2-CD1 4.35Å; F415-L420 HydrophobicContact CD2-CD2 4.4Å; F415-L420 HydrophobicContact CD2-CG 4.2Å; F415-L420 HydrophobicContact CE2-CD1 3.94Å; F415-L420 HydrophobicContact CE2-CD2 4.39Å; F415-L420 HydrophobicContact CE2-CG 4.26Å; C416-L420 PolarHBondContact O-N 2.71Å; R417-L420 WeakPolarHBondContact O-CA 3.44Å; R417-L420 WeakPolarHBondContact O-CB 3.41Å; R417-L420 PolarHBondContact O-N 3.46Å; L420-R422 VanDerWaalsContact C-N 3.33Å; L420-R422 PolarHBondContact O-N 2.7Å; L420-L423 WeakPolarHBondContact O-CB 3.41Å; L420-L423 PolarHBondContact O-N 2.78Å; L420-L423 VanDerWaalsContact O-N 3.09Å; L420-G424 PolarHBondContact O-N 3.31Å; L420-E425 HydrophobicContact CB-CB 4.16Å; L420-E425 WeakPolarHBondContact O-CB 3.46Å; L420-E425 PolarHBondContact O-N 3.45Å; L420-E425 VanDerWaalsContact O-N 3.15Å; L420-Y428 HydrophobicContact CB-CD1 4.39Å; L420-Y428 HydrophobicContact CB-CE1 3.95Å; L420-Y428 HydrophobicContact CB-CE2 4.25Å; L420-Y428 HydrophobicContact CD1-CD2 3.7Å; L420-Y428 HydrophobicContact CD1-CE2 3.63Å; L420-Y428 HydrophobicContact CD1-CG 4.28Å; L420-L432 HydrophobicContact CD1-CD2 4.43Å
421	D	98.8	Very high	98.5	Very high	57 Å²	57	45.9 Å²	45.9	31%	0.305	25%	0.245	S	C	.	.	H	α-helix	trans	-59	-43	178	-57.8	-32.4	0	0	0	111.6	R417 R418 L423 G424 Y428	R417-D421 VanDerWaalsContact O-CG 3.28Å; R417-D421 PolarHBondContact O-N 3.24Å; R418-D421 WeakPolarHBondContact O-CB 3.25Å; R418-D421 PolarHBondContact O-N 2.89Å; D421-L423 PolarHBondContact O-N 2.77Å; D421-G424 PolarHBondContact O-N 2.77Å; D421-Y428 WeakPolarHBondContact OD1-CE1 3.3Å; D421-Y428 VanDerWaalsContact OD1-CZ 3.29Å; D421-Y428 PolarHBondContact OD1-OH 3.44Å
422	R	98.4	Very high	98.6	Very high	129 Å²	129	45.3 Å²	45.3	49%	0.487	24%	0.239	S	C	.	.	H	α-helix	trans	-63.1	-26.8	178.2	99.1	-169.9	-67.3	-92.8	0.2	113.2	E210 R418 W419 L420 G424	E210-R422 IonicContact OE2-NH1 3.23Å; R418-R422 PolarHBondContact O-N 3.11Å; W419-R422 WeakPolarHBondContact O-CG 3.3Å; L420-R422 VanDerWaalsContact C-N 3.33Å; L420-R422 PolarHBondContact O-N 2.7Å; R422-G424 PolarHBondContact O-N 3.34Å
423	L	98.5	Very high	98.5	Very high	65 Å²	65	49.1 Å²	49.1	34%	0.34	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-0.3	176.1	-65.6	172.5	0	0	0	112.1	V405 N409 F410 W419 L420 D421 E425	V405-L423 HydrophobicContact CG1-CD1 3.92Å; N409-L423 HydrophobicContact CB-CD1 4.03Å; F410-L423 HydrophobicContact CE2-CD1 4.41Å; F410-L423 HydrophobicContact CZ-CD1 3.91Å; W419-L423 VanDerWaalsContact O-CG 3.32Å; W419-L423 WeakPolarHBondContact O-CG 3.22Å; W419-L423 PolarHBondContact O-N 2.82Å; L420-L423 WeakPolarHBondContact O-CB 3.41Å; L420-L423 PolarHBondContact O-N 2.78Å; L420-L423 VanDerWaalsContact O-N 3.09Å; D421-L423 PolarHBondContact O-N 2.77Å; L423-E425 VanDerWaalsContact C-N 3.34Å
424	G	98.5	Very high	98.5	Very high	59 Å²	59	50.8 Å²	50.8	61%	0.608	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.6	8	-178.7	0	0	0	0	0	113.9	L420 D421 R422	L420-G424 PolarHBondContact O-N 3.31Å; D421-G424 PolarHBondContact O-N 2.77Å; R422-G424 PolarHBondContact O-N 3.34Å
425	E	98.6	Very high	98.5	Very high	35 Å²	35	50.3 Å²	50.3	16%	0.164	26%	0.257	C	S	.	.			trans	-68.3	138.8	174.8	-66.6	-60.4	137.5	0	0	110.2	H401 V405 L420 L423 Y428	H401-E425 IonicContact CD2-OE1 2.65Å; H401-E425 IonicContact CD2-OE2 2.89Å; H401-E425 PolarHBondContact CD2-OE2 2.83Å; H401-E425 IonicContact CE1-OE1 3.24Å; H401-E425 IonicContact NE2-OE1 2.81Å; H401-E425 PolarHBondContact NE2-OE1 2.91Å; H401-E425 IonicContact NE2-OE2 3.34Å; H401-E425 PolarHBondContact NE2-OE2 3.42Å; V405-E425 HydrophobicContact CG1-CG 4.22Å; V405-E425 HydrophobicContact CG2-CG 4.47Å; V405-E425 WeakPolarHBondContact CG2-OE1 3.5Å; L420-E425 HydrophobicContact CB-CB 4.16Å; L420-E425 WeakPolarHBondContact O-CB 3.46Å; L420-E425 PolarHBondContact O-N 3.45Å; L420-E425 VanDerWaalsContact O-N 3.15Å; L423-E425 VanDerWaalsContact C-N 3.34Å; E425-Y428 HydrophobicContact CB-CD1 3.72Å; E425-Y428 HydrophobicContact CB-CE1 4.2Å
426	S	97.8	Very high	98.5	Very high	87 Å²	87	51.6 Å²	51.6	61%	0.608	27%	0.266	S	S	*	.			trans	-144.3	155.8	177.5	65.6	0	0	0	0	111.1	Y428	S426-Y428 PolarHBondContact O-N 3.08Å; S426-Y428 VanDerWaalsContact O-N 3.08Å
427	K	97.3	Very high	98.4	Very high	174 Å²	174	56.5 Å²	56.5	76%	0.757	29%	0.292	S	S	*	.	S	Bend	trans	53.4	30.6	-178.8	-54.7	178.4	-178.3	176.5	0	113
428	Y	98.4	Very high	98.3	Very high	17 Å²	17	60.3 Å²	60.3	7%	0.067	31%	0.314	C	S	.	.			trans	-87.5	-13.4	-175.1	56.3	-101.3	0	0	0	113.7	R417 L420 D421 E425 S426 M430 A431 L432	R417-Y428 HydrophobicContact CB-CE2 4.45Å; R417-Y428 WeakPolarHBondContact CB-OH 3.41Å; R417-Y428 HydrophobicContact CG-CE2 4.43Å; R417-Y428 PolarHBondContact O-OH 2.69Å; R417-Y428 VanDerWaalsContact O-OH 3.13Å; L420-Y428 HydrophobicContact CB-CD1 4.39Å; L420-Y428 HydrophobicContact CB-CE1 3.95Å; L420-Y428 HydrophobicContact CB-CE2 4.25Å; L420-Y428 HydrophobicContact CD1-CD2 3.7Å; L420-Y428 HydrophobicContact CD1-CE2 3.63Å; L420-Y428 HydrophobicContact CD1-CG 4.28Å; D421-Y428 WeakPolarHBondContact OD1-CE1 3.3Å; D421-Y428 VanDerWaalsContact OD1-CZ 3.29Å; D421-Y428 PolarHBondContact OD1-OH 3.44Å; E425-Y428 HydrophobicContact CB-CD1 3.72Å; E425-Y428 HydrophobicContact CB-CE1 4.2Å; S426-Y428 PolarHBondContact O-N 3.08Å; S426-Y428 VanDerWaalsContact O-N 3.08Å; Y428-M430 VanDerWaalsContact C-N 3.31Å; Y428-M430 PolarHBondContact O-N 3.48Å; Y428-M430 VanDerWaalsContact O-N 3.16Å; Y428-A431 CarbonylContact O-C 3.58Å; Y428-A431 WeakPolarHBondContact O-CA 3.29Å; Y428-A431 VanDerWaalsContact O-CB 3.31Å; Y428-A431 WeakPolarHBondContact O-CB 3.41Å; Y428-A431 PolarHBondContact O-N 3.03Å; Y428-L432 HydrophobicContact CD2-CD2 4.46Å; Y428-L432 PolarHBondContact O-N 2.94Å
429	L	98.3	Very high	98.3	Very high	88 Å²	88	60.9 Å²	60.9	46%	0.461	33%	0.326	S	S	.	.	H	α-helix	trans	-53.8	-41.8	-172.3	-64.9	178.3	0	0	0	114.2	L432 K433	L429-L432 PolarHBondContact O-N 3.13Å; L429-K433 WeakPolarHBondContact O-CB 3.4Å; L429-K433 PolarHBondContact O-N 3.34Å
430	M	98.1	Very high	98.3	Very high	129 Å²	129	60.5 Å²	60.5	64%	0.635	33%	0.325	S	S	*	.	H	α-helix	trans	-69.1	-35.9	176.5	-171.2	63.4	70.5	0	0	112	Y428 N434	Y428-M430 VanDerWaalsContact C-N 3.31Å; Y428-M430 PolarHBondContact O-N 3.48Å; Y428-M430 VanDerWaalsContact O-N 3.16Å; M430-N434 PolarHBondContact O-N 3.42Å; M430-N434 PolarHBondContact O-ND2 2.97Å; M430-N434 PolarHBondContact O-OD1 2.77Å
431	A	98.4	Very high	98.3	Very high	6 Å²	6	60.5 Å²	60.5	5%	0.05	33%	0.325	C	S	.	.	H	α-helix	trans	-67	-41.3	174.4	0	0	0	0	0	110.9	R398 A399 L402 Y428 N434 L435	R398-A431 HydrophobicContact CB-CB 4.11Å; A399-A431 HydrophobicContact CB-CB 4.31Å; L402-A431 HydrophobicContact CB-CB 4.34Å; L402-A431 HydrophobicContact CD2-CB 3.89Å; Y428-A431 CarbonylContact O-C 3.58Å; Y428-A431 WeakPolarHBondContact O-CA 3.29Å; Y428-A431 VanDerWaalsContact O-CB 3.31Å; Y428-A431 WeakPolarHBondContact O-CB 3.41Å; Y428-A431 PolarHBondContact O-N 3.03Å; A431-N434 WeakPolarHBondContact O-CB 3.11Å; A431-N434 PolarHBondContact O-N 2.82Å; A431-L435 WeakPolarHBondContact O-CG 3.42Å; A431-L435 PolarHBondContact O-N 3.41Å; A431-L435 VanDerWaalsContact O-N 3.08Å
432	L	98.7	Very high	98.3	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.01	32%	0.321	C	S	.	.	H	α-helix	trans	-62.9	-47.3	175.7	-173.6	57.3	0	0	0	111.1	Y383 L402 F415 L420 Y428 L429 N434 L435 C436 V441	Y383-L432 HydrophobicContact CD1-CD1 4.01Å; Y383-L432 HydrophobicContact CD1-CD2 4Å; Y383-L432 HydrophobicContact CD1-CG 4.03Å; Y383-L432 HydrophobicContact CD2-CD2 3.88Å; Y383-L432 HydrophobicContact CE1-CD1 4.39Å; Y383-L432 HydrophobicContact CE1-CD2 3.73Å; Y383-L432 HydrophobicContact CE1-CG 3.89Å; Y383-L432 HydrophobicContact CE2-CD2 3.62Å; Y383-L432 HydrophobicContact CG-CD1 4.21Å; Y383-L432 HydrophobicContact CG-CD2 4.07Å; Y383-L432 HydrophobicContact CG-CG 4.45Å; L402-L432 HydrophobicContact CD2-CB 3.77Å; L402-L432 HydrophobicContact CD2-CD1 4.24Å; F415-L432 HydrophobicContact CE2-CD1 4.27Å; F415-L432 HydrophobicContact CZ-CD1 4.14Å; L420-L432 HydrophobicContact CD1-CD2 4.43Å; Y428-L432 HydrophobicContact CD2-CD2 4.46Å; Y428-L432 PolarHBondContact O-N 2.94Å; L429-L432 PolarHBondContact O-N 3.13Å; L432-N434 VanDerWaalsContact C-N 3.28Å; L432-N434 PolarHBondContact O-N 2.98Å; L432-L435 WeakPolarHBondContact O-CB 3.17Å; L432-L435 PolarHBondContact O-N 2.94Å; L432-C436 PolarHBondContact O-N 2.85Å; L432-C436 PolarHBondContact O-SG 3.32Å; L432-C436 VanDerWaalsContact O-SG 3.38Å; L432-V441 HydrophobicContact CD1-CG1 4.26Å
433	K	98.4	Very high	98.3	Very high	109 Å²	109	56.8 Å²	56.8	47%	0.474	32%	0.318	S	S	.	.	H	α-helix	trans	-55.3	-44.4	173.4	-170.1	-167.3	-179.5	-54	0	111.6	L429 L435 C436 D437	L429-K433 WeakPolarHBondContact O-CB 3.4Å; L429-K433 PolarHBondContact O-N 3.34Å; K433-L435 VanDerWaalsContact C-N 3.29Å; K433-L435 PolarHBondContact O-N 3.44Å; K433-C436 WeakPolarHBondContact O-CB 3.25Å; K433-C436 PolarHBondContact O-N 2.95Å; K433-C436 VanDerWaalsContact O-N 3.12Å; K433-D437 IonicContact NZ-OD1 3.73Å; K433-D437 PolarHBondContact NZ-OD1 2.79Å; K433-D437 IonicContact NZ-OD2 3.27Å; K433-D437 PolarHBondContact NZ-OD2 2.97Å; K433-D437 VanDerWaalsContact O-CG 3.27Å; K433-D437 PolarHBondContact O-N 3.41Å
434	N	98.1	Very high	98.3	Very high	43 Å²	43	56.8 Å²	56.8	23%	0.23	31%	0.314	C	S	.	.	H	α-helix	trans	-61.5	-36.8	177	-70.3	-21.6	0	0	0	112.5	A399 M430 A431 L432 C436 L438	A399-N434 HydrophobicContact CB-CB 4.47Å; M430-N434 PolarHBondContact O-N 3.42Å; M430-N434 PolarHBondContact O-ND2 2.97Å; M430-N434 PolarHBondContact O-OD1 2.77Å; A431-N434 WeakPolarHBondContact O-CB 3.11Å; A431-N434 PolarHBondContact O-N 2.82Å; L432-N434 VanDerWaalsContact C-N 3.28Å; L432-N434 PolarHBondContact O-N 2.98Å; N434-C436 VanDerWaalsContact C-N 3.3Å; N434-L438 WeakPolarHBondContact O-CB 3.22Å; N434-L438 WeakPolarHBondContact O-CG 3.28Å; N434-L438 PolarHBondContact O-N 2.9Å; N434-L438 VanDerWaalsContact O-N 3.14Å
435	L	98.6	Very high	98.3	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-66.3	-35.5	175.4	-63.9	178.1	0	0	0	111.5	I394 A399 L402 L403 I406 A431 L432 K433 G439 I440 V441	I394-L435 HydrophobicContact CD1-CD2 3.26Å; A399-L435 HydrophobicContact CB-CD2 4.39Å; L402-L435 HydrophobicContact CB-CD1 4.4Å; L402-L435 HydrophobicContact CD2-CD1 4Å; L402-L435 HydrophobicContact CG-CD1 4.12Å; L403-L435 HydrophobicContact CB-CD1 4.22Å; L403-L435 HydrophobicContact CB-CD2 4.05Å; I406-L435 HydrophobicContact CD1-CD1 3.7Å; A431-L435 WeakPolarHBondContact O-CG 3.42Å; A431-L435 PolarHBondContact O-N 3.41Å; A431-L435 VanDerWaalsContact O-N 3.08Å; L432-L435 WeakPolarHBondContact O-CB 3.17Å; L432-L435 PolarHBondContact O-N 2.94Å; K433-L435 VanDerWaalsContact C-N 3.29Å; K433-L435 PolarHBondContact O-N 3.44Å; L435-G439 PolarHBondContact O-N 3.24Å; L435-I440 HydrophobicContact CD2-CD1 4.2Å; L435-I440 PolarHBondContact O-N 2.74Å; L435-V441 HydrophobicContact CB-CB 4.06Å; L435-V441 HydrophobicContact CB-CG2 3.85Å; L435-V441 HydrophobicContact CD1-CG2 4.15Å; L435-V441 PolarHBondContact O-N 2.98Å
436	C	98.4	Very high	98.3	Very high	27 Å²	27	53.4 Å²	53.4	18%	0.182	28%	0.284	C	S	.	.	H	α-helix	trans	-68.9	-46.3	173.4	-59.2	0	0	0	0	113.1	L432 K433 N434 L438 G439 V441	L432-C436 PolarHBondContact O-N 2.85Å; L432-C436 PolarHBondContact O-SG 3.32Å; L432-C436 VanDerWaalsContact O-SG 3.38Å; K433-C436 WeakPolarHBondContact O-CB 3.25Å; K433-C436 PolarHBondContact O-N 2.95Å; K433-C436 VanDerWaalsContact O-N 3.12Å; N434-C436 VanDerWaalsContact C-N 3.3Å; C436-L438 PolarHBondContact O-N 2.72Å; C436-L438 VanDerWaalsContact O-N 3.15Å; C436-G439 PolarHBondContact O-N 2.86Å; C436-V441 WeakPolarHBondContact CA-O 3.43Å; C436-V441 WeakPolarHBondContact CB-O 3.31Å; C436-V441 PolarHBondContact SG-O 3.23Å
437	D	97.8	Very high	98.4	Very high	103 Å²	103	50.4 Å²	50.4	55%	0.551	26%	0.262	S	S	*	.	H	α-helix	trans	-61.1	-25.9	177.2	-64.4	-19	0	0	0	111.9	K433	K433-D437 IonicContact NZ-OD1 3.73Å; K433-D437 PolarHBondContact NZ-OD1 2.79Å; K433-D437 IonicContact NZ-OD2 3.27Å; K433-D437 PolarHBondContact NZ-OD2 2.97Å; K433-D437 VanDerWaalsContact O-CG 3.27Å; K433-D437 PolarHBondContact O-N 3.41Å
438	L	97.4	Very high	98.5	Very high	108 Å²	108	42.1 Å²	42.1	57%	0.565	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86	-2.9	175	-69.4	172.7	0	0	0	114	N434 C436 I440	N434-L438 WeakPolarHBondContact O-CB 3.22Å; N434-L438 WeakPolarHBondContact O-CG 3.28Å; N434-L438 PolarHBondContact O-N 2.9Å; N434-L438 VanDerWaalsContact O-N 3.14Å; C436-L438 PolarHBondContact O-N 2.72Å; C436-L438 VanDerWaalsContact O-N 3.15Å; L438-I440 HydrophobicContact CB-CD1 3.93Å; L438-I440 HydrophobicContact CB-CG1 3.97Å; L438-I440 HydrophobicContact CD1-CD1 4.05Å; L438-I440 PolarHBondContact O-N 2.81Å
439	G	98	Very high	98.5	Very high	31 Å²	31	41.4 Å²	41.4	32%	0.32	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	17.6	-176.2	0	0	0	0	0	114.4	L435 C436	L435-G439 PolarHBondContact O-N 3.24Å; C436-G439 PolarHBondContact O-N 2.86Å
440	I	98.5	Very high	98.5	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.01	21%	0.214	C	C	.	.	S	Bend	trans	-82.5	-36.3	178.4	-59.6	170.9	0	0	0	110.2	K385 N386 V389 V392 I394 L403 L435 L438	K385-I440 WeakPolarHBondContact CA-O 3.27Å; K385-I440 VanDerWaalsContact CG-O 3.32Å; K385-I440 WeakPolarHBondContact CG-O 3.43Å; N386-I440 PolarHBondContact N-O 3.38Å; V389-I440 HydrophobicContact CG1-CG1 4.42Å; V392-I440 HydrophobicContact CB-CD1 3.84Å; V392-I440 HydrophobicContact CB-CG1 4.36Å; V392-I440 HydrophobicContact CG1-CD1 3.92Å; V392-I440 HydrophobicContact CG2-CD1 4.21Å; V392-I440 HydrophobicContact CG2-CG1 4.17Å; I394-I440 HydrophobicContact CD1-CD1 3.87Å; I394-I440 HydrophobicContact CG1-CD1 4.3Å; L403-I440 HydrophobicContact CD1-CG2 3.74Å; L403-I440 HydrophobicContact CD2-CG2 4.33Å; L435-I440 HydrophobicContact CD2-CD1 4.2Å; L435-I440 PolarHBondContact O-N 2.74Å; L438-I440 HydrophobicContact CB-CD1 3.93Å; L438-I440 HydrophobicContact CB-CG1 3.97Å; L438-I440 HydrophobicContact CD1-CD1 4.05Å; L438-I440 PolarHBondContact O-N 2.81Å
441	V	98.8	Very high	98.4	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	125.7	-179.9	175	0	0	0	0	108	Y383 M384 I406 F415 L432 L435 C436	Y383-V441 HydrophobicContact CD1-CG1 4.17Å; Y383-V441 HydrophobicContact CG-CG1 4.45Å; M384-V441 CarbonylContact O-C 3.51Å; M384-V441 WeakPolarHBondContact O-CA 3.26Å; I406-V441 HydrophobicContact CD1-CG2 4.07Å; F415-V441 HydrophobicContact CE1-CG1 4.41Å; F415-V441 HydrophobicContact CZ-CG1 4.13Å; L432-V441 HydrophobicContact CD1-CG1 4.26Å; L435-V441 HydrophobicContact CB-CB 4.06Å; L435-V441 HydrophobicContact CB-CG2 3.85Å; L435-V441 HydrophobicContact CD1-CG2 4.15Å; L435-V441 PolarHBondContact O-N 2.98Å; C436-V441 WeakPolarHBondContact CA-O 3.43Å; C436-V441 WeakPolarHBondContact CB-O 3.31Å; C436-V441 PolarHBondContact SG-O 3.23Å
442	D	98.8	Very high	98.4	Very high	43 Å²	43	44.9 Å²	44.9	23%	0.23	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	130.6	177.6	-63.4	-45.5	0	0	0	109.5	Y383 M384 N386 Y444	Y383-D442 WeakPolarHBondContact CA-O 3.33Å; M384-D442 PolarHBondContact N-O 3.36Å; M384-D442 PolarHBondContact O-N 2.93Å; N386-D442 WeakPolarHBondContact CB-OD2 3.42Å; N386-D442 PolarHBondContact ND2-OD2 2.93Å; D442-Y444 HydrophobicContact CB-CE2 3.77Å; D442-Y444 WeakPolarHBondContact O-CD2 3.22Å; D442-Y444 WeakPolarHBondContact O-CE2 3.49Å
443	P	98.8	Very high	98.4	Very high	64 Å²	64	45.2 Å²	45.2	42%	0.416	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	138.7	172.1	32.1	-32.1	0	0	0	110.5	Y383 P445	Y383-P443 HydrophobicContact CD1-CB 4.13Å; Y383-P443 HydrophobicContact CE1-CB 3.94Å; P443-P445 WeakPolarHBondContact O-CD 3.45Å
444	Y	98.8	Very high	98.4	Very high	65 Å²	65	42 Å²	42	26%	0.255	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	86.6	176.1	-69.4	-93.7	0	0	0	108.5	H382 M384 D442	H382-Y444 WeakPolarHBondContact CB-O 3.39Å; H382-Y444 PolarHBondContact O-N 3.29Å; M384-Y444 HydrophobicContact CB-CD2 4.26Å; M384-Y444 HydrophobicContact CB-CE2 3.77Å; M384-Y444 HydrophobicContact CE-CE2 4.03Å; M384-Y444 WeakPolarHBondContact CE-OH 3.19Å; D442-Y444 HydrophobicContact CB-CE2 3.77Å; D442-Y444 WeakPolarHBondContact O-CD2 3.22Å; D442-Y444 WeakPolarHBondContact O-CE2 3.49Å
445	P	98.8	Very high	98.4	Very high	23 Å²	23	39.9 Å²	39.9	15%	0.149	23%	0.227	C	C	.	.			trans	-67.6	159.7	179.1	29.5	-34.9	0	0	0	111.6	H231 D376 C380 P443 L447	H231-P445 WeakPolarHBondContact CB-O 3.47Å; D376-P445 HydrophobicContact CB-CB 4.17Å; D376-P445 HydrophobicContact CB-CG 3.64Å; D376-P445 WeakPolarHBondContact OD2-CG 3.42Å; C380-P445 HydrophobicContact CB-CB 4.14Å; P443-P445 WeakPolarHBondContact O-CD 3.45Å; P445-L447 PolarHBondContact O-N 3.04Å
446	P	98.9	Very high	98.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.227	C	C	.	.			trans	-53.5	136.8	169.9	-27.1	35.5	0	0	0	112.7	A230 Y232 D376 D377 M378	A230-P446 WeakPolarHBondContact O-CA 3.37Å; Y232-P446 HydrophobicContact CD2-CG 4.44Å; D376-P446 WeakPolarHBondContact CA-O 3.45Å; D377-P446 PolarHBondContact N-O 2.85Å; D377-P446 WeakPolarHBondContact O-CB 3.49Å; D377-P446 WeakPolarHBondContact O-CD 3.48Å; M378-P446 HydrophobicContact CB-CB 4.45Å; M378-P446 HydrophobicContact CB-CG 4.2Å; M378-P446 HydrophobicContact CE-CB 3.4Å; M378-P446 HydrophobicContact CE-CG 3.91Å
447	L	98.9	Very high	98.5	Very high	25 Å²	25	38.7 Å²	38.7	13%	0.131	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	109.7	-175.5	-63.9	-178.6	0	0	0	109.9	C228 A229 A230 L328 V374 D376 P445	C228-L447 CarbonylContact C-O 3.52Å; A229-L447 PolarHBondContact N-O 3.14Å; A230-L447 PolarHBondContact O-N 3.16Å; L328-L447 HydrophobicContact CD2-CD1 3.6Å; V374-L447 HydrophobicContact CB-CB 3.9Å; V374-L447 HydrophobicContact CG1-CB 4.25Å; V374-L447 HydrophobicContact CG2-CB 3.96Å; V374-L447 HydrophobicContact CG2-CD1 4.45Å; D376-L447 VanDerWaalsContact OD1-CD2 3.31Å; D376-L447 WeakPolarHBondContact OD1-CD2 3.41Å; P445-L447 PolarHBondContact O-N 3.04Å
448	C	98.9	Very high	98.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	136.5	-170.1	-58	0	0	0	0	113	H227 C228 V374 H375 D377	H227-C448 CarbonylContact O-C 3.28Å; H227-C448 WeakPolarHBondContact O-CA 3.48Å; C228-C448 VanDerWaalsContact CB-SG 3.52Å; V374-C448 CarbonylContact C-O 3.53Å; V374-C448 WeakPolarHBondContact CA-O 3.31Å; H375-C448 PolarHBondContact CE1-O 2.86Å; H375-C448 PolarHBondContact N-O 2.64Å; H375-C448 PolarHBondContact ND1-O 3.29Å; H375-C448 PolarHBondContact O-N 3.03Å; D377-C448 HydrophobicContact CB-CB 3.99Å
449	D	98.8	Very high	98.6	Very high	2 Å²	2	29 Å²	29	1%	0.011	17%	0.167	C	C	.	.			trans	-82.8	-176.8	162.8	-162.7	-28.1	0	0	0	109.1	H227 S368 K371 G372 V373 K451 T455	H227-D449 PolarHBondContact CD2-O 2.84Å; H227-D449 PolarHBondContact O-N 3.02Å; S368-D449 WeakPolarHBondContact CB-OD2 3.49Å; S368-D449 PolarHBondContact OG-OD2 2.95Å; K371-D449 PolarHBondContact N-OD1 3.22Å; K371-D449 PolarHBondContact N-OD2 2.59Å; G372-D449 WeakPolarHBondContact CA-OD2 3.41Å; G372-D449 PolarHBondContact N-OD2 3.12Å; V373-D449 PolarHBondContact N-OD2 2.87Å; V373-D449 WeakPolarHBondContact O-CA 3.43Å; V373-D449 WeakPolarHBondContact O-CB 3.22Å; V373-D449 VanDerWaalsContact O-CG 3.31Å; D449-K451 PolarHBondContact O-N 3.1Å; D449-T455 HydrophobicContact CB-CG2 4.24Å
450	T	98	Very high	98.6	Very high	45 Å²	45	27.6 Å²	27.6	28%	0.276	15%	0.152	S	C	.	.	S	Bend	trans	-57.5	128.9	-177.6	50	0	0	0	0	112.5	K371 G452 C453	K371-T450 HydrophobicContact CB-CG2 4.43Å; K371-T450 HydrophobicContact CD-CG2 3.58Å; K371-T450 HydrophobicContact CG-CG2 3.73Å; T450-G452 PolarHBondContact O-N 3.46Å; T450-C453 WeakPolarHBondContact O-CB 3.36Å; T450-C453 PolarHBondContact O-N 3.16Å; T450-C453 VanDerWaalsContact O-N 3.08Å; T450-C453 PolarHBondContact O-SG 3.14Å
451	K	97.4	Very high	98.6	Very high	190 Å²	190	27.5 Å²	27.5	83%	0.826	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.7	131.2	176.2	-171.9	174.2	-175.3	172	0	112.1	D449	D449-K451 PolarHBondContact O-N 3.1Å
452	G	96.9	Very high	98.7	Very high	61 Å²	61	27.5 Å²	27.5	63%	0.629	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.6	-7	-179.2	0	0	0	0	0	114.6	T450	T450-G452 PolarHBondContact O-N 3.46Å
453	C	98.4	Very high	98.7	Very high	9 Å²	9	25.5 Å²	25.5	6%	0.061	14%	0.141	C	C	.	.			trans	-83.6	174.3	165.5	80.8	0	0	0	0	111.7	H227 G370 T450	H227-C453 PolarHBondContact N-O 3.37Å; G370-C453 VanDerWaalsContact CA-CB 3.47Å; T450-C453 WeakPolarHBondContact O-CB 3.36Å; T450-C453 PolarHBondContact O-N 3.16Å; T450-C453 VanDerWaalsContact O-N 3.08Å; T450-C453 PolarHBondContact O-SG 3.14Å
454	Y	98.8	Very high	98.6	Very high	40 Å²	40	22.4 Å²	22.4	16%	0.157	12%	0.121	C	C	.	.			trans	-124.9	136.3	177.1	-54.8	-76.7	0	0	0	109.1	V247 Y273 L315 D316 S368 T369	V247-Y454 HydrophobicContact CG2-CD1 3.94Å; V247-Y454 HydrophobicContact CG2-CG 4.44Å; Y273-Y454 HydrophobicContact CD1-CG 4.42Å; Y273-Y454 AromaticContact CE1-CD1 3.59Å; Y273-Y454 HydrophobicContact CE1-CD1 3.59Å; Y273-Y454 AromaticContact CE1-CD2 3.89Å; Y273-Y454 HydrophobicContact CE1-CD2 3.89Å; Y273-Y454 AromaticContact CE1-CE1 3.73Å; Y273-Y454 HydrophobicContact CE1-CE1 3.73Å; Y273-Y454 AromaticContact CE1-CE2 4Å; Y273-Y454 HydrophobicContact CE1-CE2 4Å; Y273-Y454 AromaticContact CE1-CG 3.66Å; Y273-Y454 HydrophobicContact CE1-CG 3.66Å; Y273-Y454 AromaticContact CE1-CZ 3.91Å; Y273-Y454 AromaticContact CZ-CD1 3.93Å; Y273-Y454 AromaticContact CZ-CE1 3.72Å; Y273-Y454 WeakPolarHBondContact OH-CE1 3.27Å; Y273-Y454 VanDerWaalsContact OH-CZ 3.28Å; Y273-Y454 PolarHBondContact OH-OH 2.98Å; L315-Y454 HydrophobicContact CD1-CD2 3.5Å; L315-Y454 HydrophobicContact CD1-CE2 3.97Å; L315-Y454 HydrophobicContact CD1-CG 4.35Å; D316-Y454 PolarHBondContact OD2-OH 3.45Å; S368-Y454 WeakPolarHBondContact CA-O 3.14Å; T369-Y454 PolarHBondContact N-O 3.48Å; T369-Y454 PolarHBondContact OG1-N 2.81Å
455	T	98.9	Very high	98.6	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	141.4	175	68.5	0	0	0	0	110.2	N226 A229 V247 K249 I325 G367 D449	N226-T455 PolarHBondContact O-N 3.16Å; N226-T455 PolarHBondContact O-OG1 3.03Å; A229-T455 WeakPolarHBondContact CA-OG1 3.39Å; A229-T455 HydrophobicContact CB-CG2 4.36Å; V247-T455 VanDerWaalsContact CG1-O 3.26Å; V247-T455 WeakPolarHBondContact CG1-O 3.39Å; K249-T455 VanDerWaalsContact CD-O 3.27Å; K249-T455 WeakPolarHBondContact CD-O 3.4Å; K249-T455 PolarHBondContact NZ-O 2.97Å; K249-T455 PolarHBondContact NZ-OG1 3.18Å; I325-T455 HydrophobicContact CD1-CG2 3.83Å; G367-T455 CarbonylContact O-C 3.53Å; G367-T455 WeakPolarHBondContact O-CA 3.33Å; D449-T455 HydrophobicContact CB-CG2 4.24Å
456	A	98.9	Very high	98.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	153.5	171.8	0	0	0	0	0	110.4	T266 L276 L277 V280 F366 G367	T266-A456 HydrophobicContact CG2-CB 4Å; L276-A456 HydrophobicContact CD2-CB 4.29Å; L276-A456 HydrophobicContact CG-CB 4.02Å; L277-A456 HydrophobicContact CD1-CB 4.22Å; V280-A456 HydrophobicContact CB-CB 4.39Å; V280-A456 HydrophobicContact CG2-CB 3.95Å; F366-A456 VanDerWaalsContact CA-O 3.29Å; F366-A456 WeakPolarHBondContact CA-O 3.43Å; G367-A456 PolarHBondContact N-O 3.39Å; G367-A456 PolarHBondContact O-N 3.39Å
457	Q	98.9	Very high	98.5	Very high	1 Å²	1	20 Å²	20	1%	0.005	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	142.7	178.8	-175.4	-166.6	12.8	0	0	110.5	K249 D251 A264 T266 E364 T365 F366	K249-Q457 HydrophobicContact CB-CB 4.35Å; K249-Q457 HydrophobicContact CG-CB 3.56Å; D251-Q457 PolarHBondContact OD2-NE2 3.29Å; A264-Q457 HydrophobicContact CB-CG 4.23Å; T266-Q457 PolarHBondContact N-O 3Å; T266-Q457 PolarHBondContact OG1-N 3.22Å; T266-Q457 PolarHBondContact OG1-O 3.28Å; E364-Q457 PolarHBondContact OE2-NE2 3.3Å; E364-Q457 VanDerWaalsContact OE2-NE2 3.1Å; T365-Q457 WeakPolarHBondContact O-CA 3.49Å; F366-Q457 HydrophobicContact CD1-CB 3.72Å; F366-Q457 HydrophobicContact CD1-CG 3.79Å; F366-Q457 HydrophobicContact CE1-CB 3.68Å; F366-Q457 HydrophobicContact CE1-CG 3.35Å; F366-Q457 HydrophobicContact CE2-CG 4.38Å; F366-Q457 HydrophobicContact CG-CG 4.48Å; F366-Q457 HydrophobicContact CZ-CG 3.69Å; F366-Q457 VanDerWaalsContact CZ-NE2 3.3Å
458	F	98.9	Very high	98.4	Very high	9 Å²	9	18.9 Å²	18.9	4%	0.039	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	150	160.6	-80.2	-90.3	0	0	0	108.7	F265 L277 V280 Q281 T284 E364 T365 Y478	F265-F458 HydrophobicContact CB-CD1 4.26Å; F265-F458 HydrophobicContact CB-CE1 4.07Å; L277-F458 HydrophobicContact CB-CE2 4.14Å; L277-F458 HydrophobicContact CG-CE2 4.24Å; L277-F458 WeakPolarHBondContact O-CE2 3.44Å; V280-F458 HydrophobicContact CB-CD2 4.22Å; V280-F458 HydrophobicContact CG1-CB 4.48Å; V280-F458 HydrophobicContact CG1-CD2 4.05Å; Q281-F458 HydrophobicContact CB-CD1 4.34Å; Q281-F458 HydrophobicContact CB-CD2 3.73Å; Q281-F458 HydrophobicContact CB-CE1 4.39Å; Q281-F458 HydrophobicContact CB-CE2 3.81Å; Q281-F458 HydrophobicContact CB-CG 4.01Å; Q281-F458 HydrophobicContact CB-CZ 4.14Å; Q281-F458 HydrophobicContact CG-CD1 4.09Å; Q281-F458 HydrophobicContact CG-CD2 4.37Å; Q281-F458 HydrophobicContact CG-CE1 4.18Å; Q281-F458 HydrophobicContact CG-CE2 4.47Å; Q281-F458 HydrophobicContact CG-CG 4.18Å; Q281-F458 HydrophobicContact CG-CZ 4.36Å; T284-F458 HydrophobicContact CG2-CB 4.21Å; T284-F458 WeakPolarHBondContact CG2-O 3.41Å; T284-F458 WeakPolarHBondContact OG1-CB 3.22Å; T284-F458 PolarHBondContact OG1-O 3.34Å; E364-F458 WeakPolarHBondContact CA-O 3.35Å; T365-F458 PolarHBondContact N-O 3.29Å; T365-F458 VanDerWaalsContact N-O 3.17Å; T365-F458 PolarHBondContact O-N 3.11Å; F458-Y478 AromaticContact CD1-CD2 3.85Å; F458-Y478 HydrophobicContact CD1-CD2 3.85Å; F458-Y478 HydrophobicContact CD1-CE2 4.41Å; F458-Y478 HydrophobicContact CD1-CG 4.2Å; F458-Y478 HydrophobicContact CE1-CD2 4.35Å; F458-Y478 HydrophobicContact CE1-CG 4.23Å
459	E	98.9	Very high	98.4	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	146.2	-176.1	177.1	173.4	-149.1	0	0	113.5	C263 A264 A362 I363 E364	C263-E459 PolarHBondContact SG-O 3.26Å; A264-E459 HydrophobicContact CB-CB 3.91Å; A264-E459 PolarHBondContact N-O 3.27Å; A264-E459 PolarHBondContact O-N 2.94Å; A264-E459 VanDerWaalsContact O-N 3.13Å; A362-E459 WeakPolarHBondContact CB-OE1 3.25Å; I363-E459 VanDerWaalsContact O-CA 3.31Å; I363-E459 WeakPolarHBondContact O-CA 3.42Å; E364-E459 HydrophobicContact CB-CB 3.67Å; E364-E459 HydrophobicContact CB-CG 3.66Å; E364-E459 HydrophobicContact CG-CG 4.49Å
460	H	98.9	Very high	98.4	Very high	1 Å²	1	19 Å²	19	1%	0.005	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	142.3	164.1	-76.3	-67.4	0	0	0	113.1	I288 I363 V471 S473 R474 Y478	I288-H460 HydrophobicContact CD1-CB 3.79Å; I363-H460 PolarHBondContact N-O 2.65Å; I363-H460 PolarHBondContact O-N 2.76Å; I363-H460 VanDerWaalsContact O-N 3.07Å; H460-V471 HydrophobicContact CB-CG1 3.81Å; H460-S473 WeakPolarHBondContact CA-OG 3.2Å; H460-S473 VanDerWaalsContact CB-OG 3.31Å; H460-S473 WeakPolarHBondContact CB-OG 3.28Å; H460-S473 PolarHBondContact ND1-O 3.17Å; H460-S473 PolarHBondContact ND1-OG 3.17Å; H460-R474 PolarHBondContact CD2-NH1 2.92Å; H460-R474 VanDerWaalsContact CD2-NH1 3.29Å; H460-R474 PolarHBondContact NE2-NH1 2.82Å; H460-Y478 AromaticContact CE1-CD2 3.54Å; H460-Y478 AromaticContact CE1-CE2 3.47Å; H460-Y478 VanDerWaalsContact CE1-CE2 3.47Å; H460-Y478 WeakPolarHBondContact CE1-CE2 3.42Å; H460-Y478 AromaticContact NE2-CD2 3.26Å; H460-Y478 VanDerWaalsContact NE2-CD2 3.26Å; H460-Y478 WeakPolarHBondContact NE2-CD2 3.39Å; H460-Y478 AromaticContact NE2-CE2 3.6Å; H460-Y478 PolarHBondContact NE2-O 2.86Å
461	T	98.9	Very high	98.5	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	130.7	157.7	-57.4	0	0	0	0	111.2	I261 D262 I333 V360 Y361 V472 S473	I261-T461 HydrophobicContact CD1-CG2 4.04Å; D262-T461 PolarHBondContact N-OG1 3.39Å; D262-T461 PolarHBondContact O-N 3Å; D262-T461 PolarHBondContact O-OG1 3.16Å; I333-T461 HydrophobicContact CD1-CG2 4.23Å; V360-T461 HydrophobicContact CG1-CG2 3.57Å; Y361-T461 CarbonylContact O-C 3.54Å; Y361-T461 VanDerWaalsContact O-CA 3.3Å; Y361-T461 WeakPolarHBondContact O-CA 3.35Å; T461-V472 HydrophobicContact CG2-CG1 3.88Å; T461-V472 WeakPolarHBondContact O-CG1 3.34Å; T461-V472 PolarHBondContact O-N 2.71Å; T461-S473 PolarHBondContact N-OG 3.33Å; T461-S473 PolarHBondContact O-OG 2.96Å
462	I	98.9	Very high	98.5	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	146.7	171.8	67.4	171	0	0	0	111.5	I288 A291 V360 Y361 I363 L464 K469 E470 V471	I288-I462 HydrophobicContact CG1-CG2 4.36Å; I288-I462 HydrophobicContact CG2-CG2 4.22Å; A291-I462 HydrophobicContact CB-CD1 3.57Å; V360-I462 WeakPolarHBondContact CA-O 3.3Å; V360-I462 WeakPolarHBondContact CG1-O 3.28Å; Y361-I462 PolarHBondContact N-O 3.07Å; Y361-I462 PolarHBondContact O-N 2.93Å; I363-I462 HydrophobicContact CD1-CD1 4.08Å; I363-I462 HydrophobicContact CG1-CD1 3.7Å; I363-I462 HydrophobicContact CG1-CG1 3.99Å; I363-I462 HydrophobicContact CG1-CG2 4.37Å; I462-L464 HydrophobicContact CD1-CD2 3.9Å; I462-L464 HydrophobicContact CG1-CD2 4.43Å; I462-K469 HydrophobicContact CD1-CD 4.2Å; I462-E470 CarbonylContact C-O 3.58Å; I462-E470 VanDerWaalsContact CA-O 3.3Å; I462-E470 WeakPolarHBondContact CA-O 3.32Å; I462-V471 HydrophobicContact CG2-CB 4.33Å; I462-V471 HydrophobicContact CG2-CG1 4.09Å; I462-V471 HydrophobicContact CG2-CG2 4.13Å
463	L	98.9	Very high	98.6	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	2%	0.023	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	123.7	174.4	-45.9	175.7	0	0	0	109.1	W166 F169 V360 R465 K469 E470 V472	W166-L463 HydrophobicContact CD2-CD1 4.48Å; W166-L463 HydrophobicContact CE3-CB 4.5Å; W166-L463 HydrophobicContact CE3-CD1 3.89Å; W166-L463 HydrophobicContact CE3-CD2 4.43Å; W166-L463 HydrophobicContact CZ3-CB 4.46Å; W166-L463 HydrophobicContact CZ3-CD2 4.47Å; F169-L463 HydrophobicContact CB-CD1 4.26Å; F169-L463 HydrophobicContact CB-CD2 4.28Å; F169-L463 HydrophobicContact CD1-CD2 4.08Å; F169-L463 HydrophobicContact CD2-CD2 3.77Å; F169-L463 HydrophobicContact CE1-CD2 4.33Å; F169-L463 HydrophobicContact CE2-CD2 4.05Å; F169-L463 HydrophobicContact CG-CD2 3.8Å; F169-L463 HydrophobicContact CZ-CD2 4.34Å; V360-L463 HydrophobicContact CB-CD2 4.39Å; V360-L463 HydrophobicContact CG1-CD2 3.9Å; V360-L463 HydrophobicContact CG2-CD2 3.69Å; L463-R465 VanDerWaalsContact C-N 3.28Å; L463-R465 HydrophobicContact CB-CG 4.01Å; L463-R465 PolarHBondContact O-N 2.67Å; L463-R465 VanDerWaalsContact O-N 3.14Å; L463-K469 WeakPolarHBondContact O-CA 3.43Å; L463-E470 HydrophobicContact CB-CB 4.26Å; L463-E470 HydrophobicContact CD1-CB 4.4Å; L463-E470 PolarHBondContact N-O 3.15Å; L463-E470 PolarHBondContact O-N 3.31Å; L463-V472 HydrophobicContact CD1-CB 3.93Å; L463-V472 HydrophobicContact CD1-CG1 4.26Å; L463-V472 HydrophobicContact CD1-CG2 4.15Å; L463-V472 HydrophobicContact CD2-CG1 4.09Å; L463-V472 HydrophobicContact CG-CB 4.01Å; L463-V472 HydrophobicContact CG-CG1 3.92Å
464	L	98.6	Very high	98.7	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.027	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	68	174.4	-54.9	-171.6	0	0	0	110.1	Y137 I293 M355 G358 E359 Y361 I462 K469	Y137-L464 HydrophobicContact CE1-CD2 4.13Å; Y137-L464 WeakPolarHBondContact OH-CA 3.12Å; Y137-L464 PolarHBondContact OH-O 3.42Å; I293-L464 HydrophobicContact CG1-CB 4.19Å; M355-L464 HydrophobicContact CB-CD1 3.71Å; M355-L464 HydrophobicContact CG-CD1 4.38Å; M355-L464 HydrophobicContact SD-CD1 4.18Å; G358-L464 PolarHBondContact N-O 3.29Å; E359-L464 HydrophobicContact CB-CD1 4.46Å; E359-L464 WeakPolarHBondContact O-CB 3.41Å; E359-L464 PolarHBondContact O-N 3.36Å; Y361-L464 HydrophobicContact CD2-CD1 3.87Å; Y361-L464 HydrophobicContact CD2-CG 4.27Å; Y361-L464 HydrophobicContact CE2-CD1 3.75Å; I462-L464 HydrophobicContact CD1-CD2 3.9Å; I462-L464 HydrophobicContact CG1-CD2 4.43Å; L464-K469 HydrophobicContact CD2-CD 4.34Å; L464-K469 HydrophobicContact CD2-CG 4.22Å
465	R	98.4	Very high	98.6	Very high	15 Å²	15	5.4 Å²	5.4	6%	0.057	3%	0.031	C	C	.	.			trans	-67.1	154.4	-178	-67.1	168.4	49.5	-147.5	-15.9	111.6	E134 Y137 D159 W166 L463 T467 C468 E470	E134-R465 IonicContact OE1-CZ 3.82Å; E134-R465 IonicContact OE1-NH1 2.76Å; E134-R465 PolarHBondContact OE1-NH1 2.83Å; E134-R465 IonicContact OE1-NH2 3.26Å; Y137-R465 WeakPolarHBondContact CE2-O 3.44Å; Y137-R465 PolarHBondContact OH-N 2.77Å; Y137-R465 VanDerWaalsContact OH-N 3.16Å; Y137-R465 PolarHBondContact OH-O 3.11Å; D159-R465 IonicContact OD1-CZ 2.77Å; D159-R465 IonicContact OD1-NE 2.78Å; D159-R465 PolarHBondContact OD1-NE 3.46Å; D159-R465 IonicContact OD1-NH2 2.67Å; D159-R465 IonicContact OD2-CZ 3.59Å; D159-R465 IonicContact OD2-NE 2.78Å; D159-R465 PolarHBondContact OD2-NE 2.99Å; D159-R465 IonicContact OD2-NH2 3.15Å; D159-R465 PolarHBondContact OD2-NH2 2.6Å; W166-R465 HydrophobicContact CD2-CG 3.99Å; W166-R465 HydrophobicContact CE3-CG 4.42Å; W166-R465 HydrophobicContact CG-CG 4.41Å; W166-R465 HydrophobicContact CH2-CG 4.38Å; W166-R465 HydrophobicContact CZ2-CG 3.92Å; L463-R465 VanDerWaalsContact C-N 3.28Å; L463-R465 HydrophobicContact CB-CG 4.01Å; L463-R465 PolarHBondContact O-N 2.67Å; L463-R465 VanDerWaalsContact O-N 3.14Å; R465-T467 PolarHBondContact O-N 2.86Å; R465-T467 VanDerWaalsContact O-N 3.12Å; R465-C468 CarbonylContact C-O 3.52Å; R465-C468 WeakPolarHBondContact CA-O 3.31Å; R465-C468 VanDerWaalsContact CB-O 3.3Å; R465-C468 WeakPolarHBondContact CB-O 3.31Å; R465-C468 PolarHBondContact N-O 2.77Å; R465-C468 VanDerWaalsContact N-O 3.1Å; R465-C468 PolarHBondContact O-N 2.96Å; R465-E470 WeakPolarHBondContact CD-OE2 3.46Å; R465-E470 IonicContact CZ-OE2 3.68Å; R465-E470 IonicContact NE-OE2 2.78Å; R465-E470 IonicContact NH1-OE2 3.56Å; R465-E470 PolarHBondContact NH1-OE2 3.42Å
466	P	97.9	Very high	98.6	Very high	4 Å²	4	12 Å²	12	3%	0.026	7%	0.066	C	C	.	.	S	Bend	trans	-55.4	-34.3	-179.3	-28.6	35.8	0	0	0	114.8	R149 R155 M158 D159 E357	R149-P466 PolarHBondContact NH1-O 2.57Å; R155-P466 HydrophobicContact CB-CB 4.27Å; M158-P466 HydrophobicContact CB-CB 4.29Å; M158-P466 HydrophobicContact CB-CG 4.05Å; D159-P466 HydrophobicContact CB-CB 4.22Å; D159-P466 HydrophobicContact CB-CG 4.14Å; E357-P466 HydrophobicContact CG-CB 4.35Å; E357-P466 HydrophobicContact CG-CG 4.12Å
467	T	97.1	Very high	98.5	Very high	18 Å²	18	13.8 Å²	13.8	11%	0.11	8%	0.076	C	C	.	.	S	Bend	trans	-93.6	-33.4	-176.1	66.6	0	0	0	0	114.3	M150 R155 R156 D159 R465	M150-T467 VanDerWaalsContact CG-O 3.3Å; M150-T467 WeakPolarHBondContact CG-O 3.5Å; R155-T467 HydrophobicContact CB-CG2 4.14Å; R156-T467 HydrophobicContact CG-CG2 4.05Å; D159-T467 HydrophobicContact CB-CG2 3.89Å; D159-T467 WeakPolarHBondContact OD2-CB 3.37Å; D159-T467 WeakPolarHBondContact OD2-CG2 3.43Å; D159-T467 PolarHBondContact OD2-OG1 3.26Å; R465-T467 PolarHBondContact O-N 2.86Å; R465-T467 VanDerWaalsContact O-N 3.12Å
468	C	97.6	Very high	98.5	Very high	2 Å²	2	14.6 Å²	14.6	1%	0.014	8%	0.079	C	C	.	.			trans	-153.8	169.9	-173.6	69.5	0	0	0	0	111.5	Y137 M150 R465	Y137-C468 VanDerWaalsContact CE2-C 3.46Å; Y137-C468 PolarHBondContact OH-O 2.89Å; M150-C468 HydrophobicContact CE-CB 3.87Å; R465-C468 CarbonylContact C-O 3.52Å; R465-C468 WeakPolarHBondContact CA-O 3.31Å; R465-C468 VanDerWaalsContact CB-O 3.3Å; R465-C468 WeakPolarHBondContact CB-O 3.31Å; R465-C468 PolarHBondContact N-O 2.77Å; R465-C468 VanDerWaalsContact N-O 3.1Å; R465-C468 PolarHBondContact O-N 2.96Å
469	K	98.5	Very high	98.5	Very high	4 Å²	4	14.9 Å²	14.9	2%	0.017	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	126.1	165.3	174.9	173.9	57.3	-171.1	0	108.3	E134 C135 Y137 I288 K289 A291 I462 L463 L464	E134-K469 CarbonylContact C-O 3.54Å; E134-K469 WeakPolarHBondContact CA-O 3.45Å; C135-K469 HydrophobicContact CB-CB 4.43Å; C135-K469 PolarHBondContact N-O 2.9Å; C135-K469 PolarHBondContact O-N 3.48Å; Y137-K469 HydrophobicContact CD1-CB 4.12Å; Y137-K469 HydrophobicContact CE1-CB 3.8Å; I288-K469 WeakPolarHBondContact O-CE 3.44Å; I288-K469 PolarHBondContact O-NZ 3.49Å; K289-K469 PolarHBondContact O-NZ 3.38Å; A291-K469 WeakPolarHBondContact O-CD 3.43Å; A291-K469 PolarHBondContact O-NZ 3.18Å; I462-K469 HydrophobicContact CD1-CD 4.2Å; L463-K469 WeakPolarHBondContact O-CA 3.43Å; L464-K469 HydrophobicContact CD2-CD 4.34Å; L464-K469 HydrophobicContact CD2-CG 4.22Å
470	E	98.8	Very high	98.5	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	115.9	177.2	-176.4	179.8	163.8	0	0	110.1	I131 G132 Q133 R170 I462 L463 R465 V472	I131-E470 HydrophobicContact CG2-CG 4.16Å; I131-E470 WeakPolarHBondContact CG2-OE1 3.35Å; G132-E470 PolarHBondContact N-OE1 3.1Å; Q133-E470 CarbonylContact O-C 3.56Å; Q133-E470 WeakPolarHBondContact O-CA 3.45Å; R170-E470 IonicContact CZ-OE1 3.55Å; R170-E470 IonicContact CZ-OE2 2.94Å; R170-E470 IonicContact NE-OE1 2.71Å; R170-E470 PolarHBondContact NE-OE1 3.17Å; R170-E470 IonicContact NE-OE2 3.82Å; R170-E470 PolarHBondContact NE-OE2 3.03Å; R170-E470 IonicContact NH2-OE1 3.51Å; R170-E470 IonicContact NH2-OE2 3.26Å; R170-E470 PolarHBondContact NH2-OE2 3.15Å; I462-E470 CarbonylContact C-O 3.58Å; I462-E470 VanDerWaalsContact CA-O 3.3Å; I462-E470 WeakPolarHBondContact CA-O 3.32Å; L463-E470 HydrophobicContact CB-CB 4.26Å; L463-E470 HydrophobicContact CD1-CB 4.4Å; L463-E470 PolarHBondContact N-O 3.15Å; L463-E470 PolarHBondContact O-N 3.31Å; R465-E470 WeakPolarHBondContact CD-OE2 3.46Å; R465-E470 IonicContact CZ-OE2 3.68Å; R465-E470 IonicContact NE-OE2 2.78Å; R465-E470 IonicContact NH1-OE2 3.56Å; R465-E470 PolarHBondContact NH1-OE2 3.42Å; E470-V472 HydrophobicContact CG-CB 4.22Å; E470-V472 PolarHBondContact O-N 2.97Å
471	V	98.9	Very high	98.4	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	77	168.5	-166.1	0	0	0	0	107.7	Q133 I288 H460 I462 S473 R474	Q133-V471 HydrophobicContact CB-CB 4.21Å; Q133-V471 PolarHBondContact N-O 3.38Å; Q133-V471 PolarHBondContact O-N 3.01Å; I288-V471 HydrophobicContact CD1-CG1 4.39Å; I288-V471 HydrophobicContact CG2-CG1 4.44Å; I288-V471 HydrophobicContact CG2-CG2 3.54Å; H460-V471 HydrophobicContact CB-CG1 3.81Å; I462-V471 HydrophobicContact CG2-CB 4.33Å; I462-V471 HydrophobicContact CG2-CG1 4.09Å; I462-V471 HydrophobicContact CG2-CG2 4.13Å; V471-S473 PolarHBondContact O-N 3.15Å; V471-R474 HydrophobicContact CB-CB 4.11Å; V471-R474 HydrophobicContact CG1-CB 3.9Å; V471-R474 VanDerWaalsContact O-CB 3.25Å; V471-R474 WeakPolarHBondContact O-CB 3.3Å; V471-R474 PolarHBondContact O-N 3.21Å; V471-R474 VanDerWaalsContact O-N 3.08Å
472	V	98.9	Very high	98.4	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-30.9	-166.6	64.2	0	0	0	0	112.9	F169 R170 A173 R177 I261 T461 L463 E470	F169-V472 HydrophobicContact CB-CG2 4.13Å; R170-V472 HydrophobicContact CG-CG2 3.82Å; A173-V472 HydrophobicContact CB-CG2 3.96Å; A173-V472 VanDerWaalsContact CB-O 3.27Å; A173-V472 WeakPolarHBondContact CB-O 3.35Å; R177-V472 PolarHBondContact NH1-O 3.49Å; I261-V472 HydrophobicContact CD1-CG1 3.53Å; I261-V472 HydrophobicContact CD1-CG2 4.45Å; T461-V472 HydrophobicContact CG2-CG1 3.88Å; T461-V472 WeakPolarHBondContact O-CG1 3.34Å; T461-V472 PolarHBondContact O-N 2.71Å; L463-V472 HydrophobicContact CD1-CB 3.93Å; L463-V472 HydrophobicContact CD1-CG1 4.26Å; L463-V472 HydrophobicContact CD1-CG2 4.15Å; L463-V472 HydrophobicContact CD2-CG1 4.09Å; L463-V472 HydrophobicContact CG-CB 4.01Å; L463-V472 HydrophobicContact CG-CG1 3.92Å; E470-V472 HydrophobicContact CG-CB 4.22Å; E470-V472 PolarHBondContact O-N 2.97Å
473	S	98.9	Very high	98.4	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-1.5	-179.4	61.1	0	0	0	0	114.7	R180 H460 T461 V471	R180-S473 PolarHBondContact NH1-O 3.35Å; R180-S473 PolarHBondContact NH2-O 2.94Å; H460-S473 WeakPolarHBondContact CA-OG 3.2Å; H460-S473 VanDerWaalsContact CB-OG 3.31Å; H460-S473 WeakPolarHBondContact CB-OG 3.28Å; H460-S473 PolarHBondContact ND1-O 3.17Å; H460-S473 PolarHBondContact ND1-OG 3.17Å; T461-S473 PolarHBondContact N-OG 3.33Å; T461-S473 PolarHBondContact O-OG 2.96Å; V471-S473 PolarHBondContact O-N 3.15Å
474	R	98.9	Very high	98.3	Very high	36 Å²	36	19.7 Å²	19.7	14%	0.136	11%	0.108	C	C	.	.			trans	-57.4	142.5	176.5	-172.6	68	74.1	-167.6	-1.9	110.8	Q133 R177 N285 H460 V471 Y478	Q133-R474 HydrophobicContact CB-CB 3.96Å; Q133-R474 HydrophobicContact CB-CG 3.96Å; R177-R474 WeakPolarHBondContact CD-O 3.18Å; R177-R474 PolarHBondContact NH1-O 3.39Å; R177-R474 VanDerWaalsContact NH1-O 3.17Å; N285-R474 VanDerWaalsContact OD1-CZ 3.31Å; N285-R474 PolarHBondContact OD1-NH1 3.28Å; N285-R474 PolarHBondContact OD1-NH2 3.45Å; H460-R474 PolarHBondContact CD2-NH1 2.92Å; H460-R474 VanDerWaalsContact CD2-NH1 3.29Å; H460-R474 PolarHBondContact NE2-NH1 2.82Å; V471-R474 HydrophobicContact CB-CB 4.11Å; V471-R474 HydrophobicContact CG1-CB 3.9Å; V471-R474 VanDerWaalsContact O-CB 3.25Å; V471-R474 WeakPolarHBondContact O-CB 3.3Å; V471-R474 PolarHBondContact O-N 3.21Å; V471-R474 VanDerWaalsContact O-N 3.08Å; R474-Y478 WeakPolarHBondContact CD-O 3.39Å; R474-Y478 PolarHBondContact NH1-OXT 3.43Å
475	G	98.3	Very high	98.3	Very high	24 Å²	24	21.1 Å²	21.1	25%	0.247	12%	0.115	C	C	.	.			trans	-134	-169.2	174.9	0	0	0	0	0	113	R180 D477	R180-G475 VanDerWaalsContact NH2-CA 3.35Å; R180-G475 VanDerWaalsContact NH2-N 3.19Å; G475-D477 WeakPolarHBondContact CA-OD1 3.46Å
476	D	97.9	Very high	98.3	Very high	138 Å²	138	21.6 Å²	21.6	74%	0.738	12%	0.12	S	C	*	.	S	Bend	trans	-76.2	-9.7	172	58.9	-14.7	0	0	0	112.6	K181	K181-D476 IonicContact NZ-OD2 3.29Å; K181-D476 PolarHBondContact NZ-OD2 3.03Å
477	D	98.1	Very high	98.3	Very high	38 Å²	38	23.1 Å²	23.1	20%	0.203	13%	0.128	C	C	.	.			trans	-101.4	-36.2	-169.1	56	-22.5	0	0	0	114.9	R180 G475	R180-D477 WeakPolarHBondContact CD-OD2 3.45Å; R180-D477 WeakPolarHBondContact CG-OD2 3.41Å; R180-D477 IonicContact CZ-OD1 3.34Å; R180-D477 IonicContact CZ-OD2 2.82Å; R180-D477 IonicContact NE-OD1 3.77Å; R180-D477 PolarHBondContact NE-OD1 2.99Å; R180-D477 IonicContact NE-OD2 3.24Å; R180-D477 PolarHBondContact NE-OD2 3.4Å; R180-D477 IonicContact NH2-OD1 2.82Å; R180-D477 PolarHBondContact NH2-OD1 3.34Å; R180-D477 IonicContact NH2-OD2 3.22Å; G475-D477 WeakPolarHBondContact CA-OD1 3.46Å
478	Y	98.1	Very high	98.4	Very high	17 Å²	17	23.5 Å²	23.5	7%	0.067	13%	0.129	C	C	.	.			trans	-159.6	0	171.6	60.3	-80.1	0	0	0	112.8	R180 C263 A264 F265 Q281 F458 H460 R474	R180-Y478 WeakPolarHBondContact CD-OH 3.25Å; C263-Y478 PolarHBondContact SG-OH 3.38Å; A264-Y478 VanDerWaalsContact O-CE2 3.24Å; A264-Y478 WeakPolarHBondContact O-CE2 3.46Å; A264-Y478 PolarHBondContact O-OH 2.99Å; F265-Y478 HydrophobicContact CB-CD1 4.22Å; F265-Y478 HydrophobicContact CB-CE1 3.74Å; F265-Y478 HydrophobicContact CB-CE2 4.28Å; F265-Y478 HydrophobicContact CD1-CE1 4.04Å; F265-Y478 HydrophobicContact CG-CE1 4.03Å; Q281-Y478 VanDerWaalsContact NE2-CB 3.31Å; F458-Y478 AromaticContact CD1-CD2 3.85Å; F458-Y478 HydrophobicContact CD1-CD2 3.85Å; F458-Y478 HydrophobicContact CD1-CE2 4.41Å; F458-Y478 HydrophobicContact CD1-CG 4.2Å; F458-Y478 HydrophobicContact CE1-CD2 4.35Å; F458-Y478 HydrophobicContact CE1-CG 4.23Å; H460-Y478 AromaticContact CE1-CD2 3.54Å; H460-Y478 AromaticContact CE1-CE2 3.47Å; H460-Y478 VanDerWaalsContact CE1-CE2 3.47Å; H460-Y478 WeakPolarHBondContact CE1-CE2 3.42Å; H460-Y478 AromaticContact NE2-CD2 3.26Å; H460-Y478 VanDerWaalsContact NE2-CD2 3.26Å; H460-Y478 WeakPolarHBondContact NE2-CD2 3.39Å; H460-Y478 AromaticContact NE2-CE2 3.6Å; H460-Y478 PolarHBondContact NE2-O 2.86Å; R474-Y478 WeakPolarHBondContact CD-O 3.39Å; R474-Y478 PolarHBondContact NH1-OXT 3.43Å

Retrieved 478 of 478 residues in 510.8 ms (Link to these results)

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