A0A087Y415_POEFO Loading...

Coagulation factor IX

Factor IX is a vitamin K-dependent plasma protein that participates in the intrinsic pathway of blood coagulation by converting factor X to its active form in the presence of Ca(2+) ions, phospholipids, and factor VIIIa.

AlphaFold DB , UniProt , Accession A0A087Y415, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 557 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	34.7	Very low	29.5	Very low	242 Å²	242	145.7 Å²	145.7	100%	1.192	78%	0.783	S	S	*	*				0	98.4	0	-79.2	172.3	170.7	0	0	105.7
2	D	34.1	Very low	29.2	Very low	151 Å²	151	150.4 Å²	150.4	81%	0.807	79%	0.791	S	S	*	*			trans	30	105.8	170.2	-57.4	-23.3	0	0	0	118.8
3	V	29.8	Very low	29	Very low	118 Å²	118	145.5 Å²	145.5	72%	0.715	78%	0.777	S	S	*	*			cis	67.8	121.9	49.5	-171.9	0	0	0	0	110.3
4	N	27.6	Very low	29.1	Very low	139 Å²	139	145.7 Å²	145.7	74%	0.743	78%	0.777	S	S	*	*			cis	-159.8	145.9	16.2	-105.6	-16.5	0	0	0	106.3
5	E	35.1	Very low	29	Very low	138 Å²	138	145.7 Å²	145.7	65%	0.645	78%	0.777	S	S	*	*				61.9	113.3	51.6	-118.2	-162.7	160.6	0	0	117.2
6	K	29.4	Very low	28.9	Very low	179 Å²	179	149.8 Å²	149.8	78%	0.778	79%	0.786	S	S	*	*			trans	58.2	162.9	141.3	-78.1	173.5	-176.1	160.2	0	118.4
7	A	28.2	Very low	29.1	Very low	72 Å²	72	151.8 Å²	151.8	60%	0.595	79%	0.79	S	S	*	*			cis	-174.8	165.5	-19.2	0	0	0	0	0	105.3
8	D	28.1	Very low	29.6	Very low	147 Å²	147	150 Å²	150	79%	0.786	79%	0.789	S	S	*	*			trans	73.5	126.1	147.4	-61.4	-22.6	0	0	0	123.9
9	C	24.6	Very low	29.6	Very low	107 Å²	107	148.2 Å²	148.2	72%	0.723	79%	0.79	S	S	*	*			trans	55.7	127.6	133.7	-69.2	0	0	0	0	120.9
10	F	25.8	Very low	29.6	Very low	209 Å²	209	148.8 Å²	148.8	92%	0.917	79%	0.794	S	S	*	*				-172	141.2	111.2	-108.3	-79.7	0	0	0	111.9
11	S	26.8	Very low	29.6	Very low	101 Å²	101	148 Å²	148	71%	0.706	80%	0.798	S	S	*	*			trans	-81.1	145.3	168.4	173.1	0	0	0	0	110.6
12	F	26.3	Very low	29.4	Very low	202 Å²	202	145.9 Å²	145.9	89%	0.886	79%	0.785	S	S	*	*			trans	-170.8	122.2	139.3	-113.7	-79.7	0	0	0	114
13	S	26.8	Very low	29.3	Very low	86 Å²	86	142 Å²	142	60%	0.601	78%	0.781	S	S	*	*			trans	11	135.5	145.1	-130.1	0	0	0	0	125.1
14	L	29.7	Very low	29.3	Very low	149 Å²	149	146.6 Å²	146.6	78%	0.78	79%	0.791	S	S	*	*			trans	57.9	132.8	131.8	-74.4	167.6	0	0	0	124.2
15	N	27.3	Very low	29.3	Very low	146 Å²	146	145.9 Å²	145.9	78%	0.781	80%	0.796	S	S	*	*			trans	74.6	102.1	149.7	-82	-8.2	0	0	0	120.5
16	K	28.6	Very low	29.1	Very low	211 Å²	211	144 Å²	144	92%	0.917	81%	0.805	S	S	*	*				-167.8	129.6	123.2	-110.5	172.9	-178.3	178.5	0	112.1
17	Q	31.5	Very low	29.2	Very low	184 Å²	184	143.2 Å²	143.2	86%	0.86	81%	0.809	S	S	*	*			trans	-87.1	175.9	166.9	-133.7	-175.2	-8.7	0	0	109.4
18	P	38.4	Very low	29.3	Very low	119 Å²	119	146.3 Å²	146.3	77%	0.773	82%	0.82	S	S	*	*				-108.6	155.7	-103.8	36.1	-21.8	0	0	0	113.1
19	S	30.2	Very low	29.4	Very low	116 Å²	116	147.9 Å²	147.9	81%	0.811	82%	0.823	S	S	*	*			trans	-134.3	121.9	167.3	55.8	0	0	0	0	110.4
20	N	29.3	Very low	29.6	Very low	160 Å²	160	150.4 Å²	150.4	86%	0.856	83%	0.828	S	S	*	*			trans	0.6	120.4	161.7	-85.2	-11.6	0	0	0	117.9
21	C	29.7	Very low	29.7	Very low	131 Å²	131	150.9 Å²	150.9	89%	0.885	83%	0.826	S	S	*	*			trans	-128.6	109	146.2	-83.2	0	0	0	0	108.8
22	E	31	Very low	29.8	Very low	198 Å²	198	155.9 Å²	155.9	93%	0.925	84%	0.835	S	S	*	*			trans	-66.3	132.1	159.1	-71.5	175.4	134.7	0	0	109.2
23	G	32	Very low	29.8	Very low	70 Å²	70	150.1 Å²	150.1	72%	0.722	83%	0.833	S	S	*	*			trans	-165.2	100.9	177.5	0	0	0	0	0	111.3
24	K	28.7	Very low	30	Very low	214 Å²	214	150.2 Å²	150.2	93%	0.93	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-52.3	127.2	-174.5	-67.8	167.1	174.1	174.8	0	113.7
25	C	27.4	Very low	30	Very low	124 Å²	124	151.8 Å²	151.8	84%	0.838	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-97.6	123.5	156.3	-76.8	0	0	0	0	109
26	A	31.2	Very low	30.1	Very low	100 Å²	100	149.5 Å²	149.5	83%	0.826	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-74	121.8	172.3	0	0	0	0	0	109.5
27	N	30.7	Very low	30.2	Very low	161 Å²	161	148.1 Å²	148.1	86%	0.861	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-101.8	130.4	168	-92.4	-15.9	0	0	0	109.2
28	T	31.4	Very low	30.2	Very low	137 Å²	137	144.9 Å²	144.9	84%	0.84	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-83.7	121.4	172.3	-44.9	0	0	0	0	108.8
29	E	29.7	Very low	29.7	Very low	180 Å²	180	146.3 Å²	146.3	84%	0.841	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-73	144.9	171.4	-70.1	-174.2	144.8	0	0	111.7
30	L	29.3	Very low	29.6	Very low	160 Å²	160	145.5 Å²	145.5	84%	0.838	84%	0.84	S	S	*	*			trans	-151.8	98.7	152.4	-107	155.2	0	0	0	111
31	Y	28	Very low	29.7	Very low	219 Å²	219	144.2 Å²	144.2	86%	0.859	84%	0.838	S	S	*	*			trans	56.3	122.8	139.2	-85.5	-95.3	0	0	0	124.2
32	F	27.8	Very low	29.8	Very low	206 Å²	206	141.5 Å²	141.5	90%	0.904	83%	0.832	S	S	*	*			trans	-58.1	150.3	161.2	-94.1	-107.2	0	0	0	114.7
33	G	27.1	Very low	29.7	Very low	81 Å²	81	140.9 Å²	140.9	84%	0.835	83%	0.827	S	S	*	*			trans	-165.3	87.8	161.6	0	0	0	0	0	111.7
34	A	31.3	Very low	29.8	Very low	89 Å²	89	144.7 Å²	144.7	74%	0.736	84%	0.836	S	S	*	*			trans	-87.3	139.3	170	0	0	0	0	0	110.4
35	M	28.8	Very low	29.8	Very low	182 Å²	182	141.3 Å²	141.3	90%	0.897	83%	0.828	S	S	*	*			trans	-151.3	113.3	148.2	-83.2	-138.8	-162	0	0	110.2
36	A	30.7	Very low	30.2	Very low	97 Å²	97	145.8 Å²	145.8	80%	0.802	83%	0.833	S	S	*	*			trans	-88.7	140.1	157.8	0	0	0	0	0	108.2
37	Q	30.8	Very low	30.3	Very low	183 Å²	183	145.9 Å²	145.9	86%	0.855	82%	0.823	S	S	*	*			trans	-152.8	126.1	154.8	-110.4	170.7	31.9	0	0	111.3
38	S	29.6	Very low	30.4	Very low	115 Å²	115	149.9 Å²	149.9	80%	0.804	83%	0.826	S	S	*	*			trans	-79.5	146.4	171.8	28.3	0	0	0	0	110.9
39	V	29.1	Very low	30.4	Very low	149 Å²	149	151.9 Å²	151.9	90%	0.903	83%	0.828	S	S	*	*			trans	-137.1	131.6	160.6	179.8	0	0	0	0	109.3
40	S	28.6	Very low	30.5	Very low	99 Å²	99	147.7 Å²	147.7	69%	0.692	82%	0.824	S	S	*	*			trans	-117.9	139.9	-178.5	179.3	0	0	0	0	109.4
41	V	31.6	Very low	31	Very low	133 Å²	133	151.1 Å²	151.1	81%	0.806	83%	0.826	S	S	*	*			trans	63.5	129	149.9	179.6	0	0	0	0	119.9
42	G	30	Very low	31.4	Very low	74 Å²	74	145.7 Å²	145.7	76%	0.763	83%	0.826	S	S	*	*			trans	-175.4	101.1	162.3	0	0	0	0	0	114.2
43	F	30.6	Very low	31.9	Very low	186 Å²	186	145 Å²	145	82%	0.816	82%	0.823	S	S	*	*			trans	-41.3	148.3	170.1	-100.1	-120.5	0	0	0	115.6
44	T	34	Very low	32.2	Very low	150 Å²	150	148.7 Å²	148.7	92%	0.92	82%	0.823	S	S	*	*				-164.2	132.2	125	19.2	0	0	0	0	113.1
45	L	28.4	Very low	32.4	Very low	142 Å²	142	149.4 Å²	149.4	74%	0.743	82%	0.823	S	S	*	*			trans	-84.8	137.9	-179.9	-166.2	82	0	0	0	109.9	V47	L45-V47 HydrophobicContact CD2-CG2 4.31Å; L45-V47 HydrophobicContact CG-CG2 4.4Å
46	K	35.3	Very low	32.7	Very low	218 Å²	218	147.7 Å²	147.7	95%	0.948	82%	0.817	S	S	*	*			trans	-139.7	117.6	152.8	-97.2	-172.8	-177.9	173.6	0	112
47	V	32.6	Very low	32.9	Very low	102 Å²	102	151.3 Å²	151.3	62%	0.618	82%	0.822	S	S	*	*			trans	-85.8	148.3	175.4	168.9	0	0	0	0	110.5	L45	L45-V47 HydrophobicContact CD2-CG2 4.31Å; L45-V47 HydrophobicContact CG-CG2 4.4Å
48	R	32.8	Very low	33.1	Very low	245 Å²	245	149.3 Å²	149.3	93%	0.925	82%	0.816	S	S	*	*			trans	-173.8	94.4	141.8	-101.3	173.9	-174.2	-163.2	1.1	107.5
49	M	31.4	Very low	33.5	Very low	179 Å²	179	151.7 Å²	151.7	88%	0.882	82%	0.819	S	S	*	*				47.5	111.3	82.9	-97.8	-150.7	-173.8	0	0	116.5
50	A	33.5	Very low	34	Very low	93 Å²	93	151.8 Å²	151.8	77%	0.769	81%	0.814	S	S	*	*				155.7	145.2	123.3	0	0	0	0	0	109.4
51	R	38.6	Very low	34.2	Very low	232 Å²	232	157 Å²	157	88%	0.875	83%	0.825	S	S	*	*			cis	-179.8	138.4	-6.9	-106.3	177	177.1	169.4	-1.8	103.9
52	A	36.5	Very low	34.3	Very low	104 Å²	104	159 Å²	159	86%	0.86	83%	0.825	S	S	*	*			trans	-172	124.6	136.4	0	0	0	0	0	109.7
53	F	38.1	Very low	34.6	Very low	191 Å²	191	163.9 Å²	163.9	84%	0.838	83%	0.832	S	S	*	*			trans	-103.5	175.1	-174.7	-98.9	-94.9	0	0	0	111
54	L	34.7	Very low	34.6	Very low	160 Å²	160	158.8 Å²	158.8	84%	0.838	83%	0.832	S	S	*	*			trans	96.9	131.2	167.5	-90.9	77.2	0	0	0	114.9
55	S	33.8	Very low	34.7	Very low	104 Å²	104	157.6 Å²	157.6	73%	0.727	83%	0.831	S	S	*	*			cis	-168.6	150.4	5.8	27	0	0	0	0	110.2
56	L	36.2	Very low	34.9	Very low	146 Å²	146	155.2 Å²	155.2	76%	0.764	83%	0.831	S	S	*	*			trans	-49.8	153.1	172.2	-83.7	89.9	0	0	0	114.4
57	L	33.8	Very low	35	Very low	173 Å²	173	149.3 Å²	149.3	91%	0.906	82%	0.823	S	S	*	*				-158.6	126.6	117.8	-98.7	166	0	0	0	110.6
58	L	36.4	Very low	35.6	Very low	140 Å²	140	149.5 Å²	149.5	73%	0.733	83%	0.826	S	S	*	*			trans	-77.7	150.6	170	-71.9	157.7	0	0	0	110.1
59	L	37.5	Very low	36	Very low	165 Å²	165	144.9 Å²	144.9	86%	0.864	82%	0.82	S	S	*	*				174.6	117.9	124.2	-94.4	154	0	0	0	111.4
60	D	39.6	Very low	36.3	Very low	152 Å²	152	142.2 Å²	142.2	81%	0.813	81%	0.814	S	S	*	*			trans	-62.8	134.3	155.1	-70.2	-60.1	0	0	0	110.2
61	F	33.1	Very low	36.7	Very low	209 Å²	209	145.3 Å²	145.3	92%	0.917	82%	0.817	S	S	*	*			trans	-154.9	135.7	147.9	-129	-92.2	0	0	0	111.1
62	H	33.8	Very low	37.1	Very low	173 Å²	173	141.6 Å²	141.6	80%	0.801	81%	0.814	S	S	*	*			trans	-71	166.5	-172.9	-81.3	-69.5	0	0	0	115.6
63	L	36.7	Very low	37.3	Very low	177 Å²	177	142.1 Å²	142.1	93%	0.927	80%	0.801	S	S	*	*			trans	80.7	108.1	155.5	-87.5	126.2	0	0	0	117.4
64	G	30.5	Very low	37.7	Very low	79 Å²	79	136.3 Å²	136.3	81%	0.814	78%	0.784	S	S	*	*			trans	-152.3	94.3	166.7	0	0	0	0	0	111.3
65	S	36.4	Very low	38.4	Very low	126 Å²	126	137 Å²	137	88%	0.881	78%	0.783	S	S	*	*			trans	-73	127	158.2	177.9	0	0	0	0	108.6
66	A	32.7	Very low	39.3	Very low	92 Å²	92	141 Å²	141	76%	0.76	79%	0.788	S	S	*	*			trans	159	116.5	139.2	0	0	0	0	0	110.2
67	A	36.3	Very low	39.9	Very low	93 Å²	93	136.8 Å²	136.8	77%	0.769	77%	0.768	S	S	*	*			trans	-55.9	165.7	158.8	0	0	0	0	0	110.2
68	P	45.9	Very low	40.4	Very low	107 Å²	107	131.2 Å²	131.2	70%	0.695	75%	0.747	S	S	*	*			cis	-152	172.2	41.5	41.7	-19.2	0	0	0	119.2
69	N	41.1	Very low	40.9	Very low	147 Å²	147	131 Å²	131	79%	0.786	75%	0.747	S	S	*	*			trans	82	80.2	152.1	-62.2	-14.4	0	0	0	119.5
70	T	36.8	Very low	41.6	Very low	124 Å²	124	126.3 Å²	126.3	76%	0.761	73%	0.727	S	S	*	*				-132.4	112.3	124	30.8	0	0	0	0	108.1	L72	T70-L72 PolarHBondContact O-N 3.04Å
71	L	41.9	Very low	41.9	Very low	157 Å²	157	127 Å²	127	82%	0.822	72%	0.723	S	S	*	*			trans	-75.5	75.7	176.7	-158	134.4	0	0	0	107.8	L73	L71-L73 HydrophobicContact CD2-CG 4.33Å; L71-L73 PolarHBondContact O-N 2.84Å
72	L	46.6	Very low	42.7	Very low	155 Å²	155	124.2 Å²	124.2	81%	0.812	72%	0.717	S	S	*	*			trans	-79.3	101.3	168	-91.5	156	0	0	0	107.2	T70 S74	T70-L72 PolarHBondContact O-N 3.04Å; L72-S74 PolarHBondContact O-N 3.12Å
73	L	41.5	Very low	43.2	Very low	115 Å²	115	126 Å²	126	60%	0.602	72%	0.717	S	S	*	*			trans	-55.5	123.3	168.2	-84.1	149.3	0	0	0	108.7	L71 T77	L71-L73 HydrophobicContact CD2-CG 4.33Å; L71-L73 PolarHBondContact O-N 2.84Å; L73-T77 HydrophobicContact CD2-CG2 4.24Å
74	S	45.5	Very low	43.3	Very low	68 Å²	68	125.5 Å²	125.5	48%	0.476	70%	0.703	S	S	.	*			trans	-58.4	139.3	167.2	174.9	0	0	0	0	108.9	L72 K76 T77 A78	L72-S74 PolarHBondContact O-N 3.12Å; S74-K76 PolarHBondContact O-N 3.18Å; S74-K76 PolarHBondContact OG-N 3.11Å; S74-T77 PolarHBondContact O-N 2.88Å; S74-A78 PolarHBondContact O-N 3.04Å
75	E	50.7	Low	44	Very low	176 Å²	176	129.3 Å²	129.3	82%	0.822	70%	0.699	S	S	*	*	H	α-helix	trans	-50	-29.2	174.7	-158.3	175.4	-166.9	0	0	111.8	T77 A78	E75-T77 VanDerWaalsContact C-N 3.28Å; E75-T77 PolarHBondContact O-N 3Å; E75-A78 PolarHBondContact O-N 2.72Å
76	K	52	Low	44.3	Very low	188 Å²	188	129.7 Å²	129.7	82%	0.817	68%	0.684	S	S	*	*	H	α-helix	trans	-75.8	-5.3	175.8	-66.8	-172.9	176.4	-177.7	0	115.4	S74	S74-K76 PolarHBondContact O-N 3.18Å; S74-K76 PolarHBondContact OG-N 3.11Å
77	T	49.4	Very low	45.3	Very low	56 Å²	56	132.1 Å²	132.1	34%	0.344	67%	0.674	S	S	.	*	H	α-helix	trans	-114.9	-4.9	176.7	-28.4	0	0	0	0	112.4	L73 S74 E75 S80 F81	L73-T77 HydrophobicContact CD2-CG2 4.24Å; S74-T77 PolarHBondContact O-N 2.88Å; E75-T77 VanDerWaalsContact C-N 3.28Å; E75-T77 PolarHBondContact O-N 3Å; T77-S80 PolarHBondContact O-OG 2.98Å; T77-F81 HydrophobicContact CG2-CE2 4.4Å
78	A	43.4	Very low	45.7	Very low	56 Å²	56	134 Å²	134	46%	0.463	67%	0.667	S	S	.	*	H	α-helix	trans	-76.5	-34.4	169.1	0	0	0	0	0	111.5	S74 E75 S80	S74-A78 PolarHBondContact O-N 3.04Å; E75-A78 PolarHBondContact O-N 2.72Å; A78-S80 VanDerWaalsContact C-N 3.29Å; A78-S80 PolarHBondContact O-N 3.17Å
79	D	46.5	Very low	45.8	Very low	137 Å²	137	135.1 Å²	135.1	73%	0.733	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	-11.5	178.6	-80.8	-24.7	0	0	0	114.9
80	S	52.7	Low	46.3	Very low	65 Å²	65	132.5 Å²	132.5	46%	0.455	66%	0.656	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.4	-11.1	178.6	60.1	0	0	0	0	114.4	T77 A78	T77-S80 PolarHBondContact O-OG 2.98Å; A78-S80 VanDerWaalsContact C-N 3.29Å; A78-S80 PolarHBondContact O-N 3.17Å
81	F	45.8	Very low	47.2	Very low	168 Å²	168	129 Å²	129	74%	0.737	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.4	-6.8	-177.6	-73.7	-79.4	0	0	0	115.1	T77	T77-F81 HydrophobicContact CG2-CE2 4.4Å
82	L	49.7	Very low	47.6	Very low	150 Å²	150	129.8 Å²	129.8	79%	0.785	65%	0.646	S	S	*	*			trans	-113	59.1	160.7	-67.4	175.7	0	0	0	110.2	R84	L82-R84 PolarHBondContact O-N 2.89Å
83	R	45.1	Very low	48	Very low	209 Å²	209	129 Å²	129	79%	0.789	64%	0.637	S	S	*	*			trans	-70.7	75.8	151.2	-79.8	-172	174.8	-166.1	-1.4	107.7	H85	R83-H85 PolarHBondContact O-N 3.44Å
84	R	39.5	Very low	48.8	Very low	168 Å²	168	126.1 Å²	126.1	63%	0.634	62%	0.62	S	S	*	*			trans	-59.8	108.9	161.4	-159.1	174.5	-171.1	179.1	-8.5	104.9	L82 K86 E107	L82-R84 PolarHBondContact O-N 2.89Å; R84-K86 PolarHBondContact O-N 2.97Å; R84-E107 IonicContact CZ-OE1 2.72Å; R84-E107 IonicContact CZ-OE2 3.66Å; R84-E107 IonicContact NE-OE2 3.83Å; R84-E107 IonicContact NH1-OE1 2.58Å; R84-E107 PolarHBondContact NH1-OE1 2.73Å; R84-E107 IonicContact NH1-OE2 3.66Å; R84-E107 PolarHBondContact NH1-OE2 2.86Å; R84-E107 IonicContact NH2-OE1 2.7Å; R84-E107 PolarHBondContact NH2-OE1 3.43Å; R84-E107 IonicContact NH2-OE2 3.46Å; R84-E107 PolarHBondContact NH2-OE2 3.25Å
85	H	44.2	Very low	49.4	Very low	158 Å²	158	131.5 Å²	131.5	73%	0.731	64%	0.638	S	S	*	*			trans	-57.1	125.5	169.4	-90.7	26.6	0	0	0	106.8	R83 R87	R83-H85 PolarHBondContact O-N 3.44Å; H85-R87 PolarHBondContact O-N 2.9Å
86	K	42.5	Very low	50.1	Low	134 Å²	134	131.1 Å²	131.1	58%	0.583	63%	0.634	S	S	*	*			trans	-49	119.4	165.1	-165.4	-176.7	174.2	-150.5	0	106.6	R84 E88	R84-K86 PolarHBondContact O-N 2.97Å; K86-E88 HydrophobicContact CD-CG 3.96Å; K86-E88 HydrophobicContact CG-CG 4.09Å; K86-E88 IonicContact NZ-OE1 3.37Å; K86-E88 PolarHBondContact NZ-OE1 2.83Å; K86-E88 PolarHBondContact O-N 2.84Å
87	R	54.2	Low	50.7	Low	144 Å²	144	127 Å²	127	54%	0.543	62%	0.62	S	S	.	*			trans	-83.5	67.4	179.4	-73.4	-177.3	176.9	173.7	-1.3	107.2	H85 N89 T90 E108	H85-R87 PolarHBondContact O-N 2.9Å; R87-N89 PolarHBondContact O-N 3.35Å; R87-T90 HydrophobicContact CB-CG2 4.17Å; R87-E108 VanDerWaalsContact CA-OE1 3.25Å; R87-E108 WeakPolarHBondContact CA-OE1 3.31Å; R87-E108 WeakPolarHBondContact CB-OE1 3.45Å; R87-E108 PolarHBondContact N-OE1 3.14Å; R87-E108 VanDerWaalsContact O-OE1 3.04Å
88	E	44.4	Very low	51.8	Low	132 Å²	132	132 Å²	132	62%	0.617	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.7	115.5	170.1	-65.8	-172	160	0	0	109.1	K86 T90	K86-E88 HydrophobicContact CD-CG 3.96Å; K86-E88 HydrophobicContact CG-CG 4.09Å; K86-E88 IonicContact NZ-OE1 3.37Å; K86-E88 PolarHBondContact NZ-OE1 2.83Å; K86-E88 PolarHBondContact O-N 2.84Å; E88-T90 PolarHBondContact O-N 3.29Å
89	N	48.4	Very low	53.1	Low	131 Å²	131	130.3 Å²	130.3	70%	0.701	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	30.7	71.3	172.1	-77.1	-3.4	0	0	0	113.7	R87 G91 E94	R87-N89 PolarHBondContact O-N 3.35Å; N89-G91 PolarHBondContact O-N 2.84Å; N89-E94 VanDerWaalsContact C-OE2 3.26Å; N89-E94 VanDerWaalsContact CA-OE2 3.23Å; N89-E94 WeakPolarHBondContact CA-OE2 3.19Å
90	T	51.1	Low	54.9	Low	91 Å²	91	126.8 Å²	126.8	56%	0.558	61%	0.608	S	S	*	*			trans	-83.7	65.1	-176.8	46.3	0	0	0	0	112.3	R87 E88 E94	R87-T90 HydrophobicContact CB-CG2 4.17Å; E88-T90 PolarHBondContact O-N 3.29Å; T90-E94 PolarHBondContact N-OE2 3.01Å
91	G	56.2	Low	56.4	Low	50 Å²	50	126.4 Å²	126.4	52%	0.515	60%	0.601	S	S	.	*			trans	119.4	159.7	152.9	0	0	0	0	0	116.9	N89 F93 E94	N89-G91 PolarHBondContact O-N 2.84Å; G91-F93 PolarHBondContact O-N 2.86Å; G91-E94 PolarHBondContact O-N 3.45Å
92	M	50.9	Low	58.2	Low	174 Å²	174	123.4 Å²	123.4	86%	0.857	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.6	6.8	-176.8	-74.7	-149.2	-51.9	0	0	116.7
93	F	53.7	Low	59.9	Low	140 Å²	140	120.3 Å²	120.3	61%	0.614	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.6	11.3	-175.4	-57.8	-75.7	0	0	0	113.6	G91 E95 F96	G91-F93 PolarHBondContact O-N 2.86Å; F93-E95 VanDerWaalsContact C-N 3.25Å; F93-E95 PolarHBondContact O-N 3.19Å; F93-F96 HydrophobicContact CB-CD2 4.02Å; F93-F96 AromaticContact CD1-CD2 3.92Å; F93-F96 HydrophobicContact CD1-CD2 3.92Å; F93-F96 AromaticContact CD1-CE2 3.79Å; F93-F96 HydrophobicContact CD1-CE2 3.79Å; F93-F96 HydrophobicContact CG-CD2 4.49Å; F93-F96 WeakPolarHBondContact O-CB 3.5Å; F93-F96 PolarHBondContact O-N 3.23Å
94	E	59.2	Low	61.7	Low	54 Å²	54	112 Å²	112	25%	0.252	54%	0.537	S	S	.	.	G	3₁₀ helix	trans	-61	-34	179.7	-172.4	155.1	-153.7	0	0	112.4	N89 T90 G91 F96 L97	N89-E94 VanDerWaalsContact C-OE2 3.26Å; N89-E94 VanDerWaalsContact CA-OE2 3.23Å; N89-E94 WeakPolarHBondContact CA-OE2 3.19Å; T90-E94 PolarHBondContact N-OE2 3.01Å; G91-E94 PolarHBondContact O-N 3.45Å; E94-F96 PolarHBondContact O-N 2.98Å; E94-F96 VanDerWaalsContact O-N 3.08Å; E94-L97 PolarHBondContact O-N 2.86Å; E94-L97 VanDerWaalsContact O-N 3.1Å
95	E	58.8	Low	64	Low	181 Å²	181	104.1 Å²	104.1	85%	0.846	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-62.8	-10	173	-64.3	179	177.7	0	0	114.6	F93	F93-E95 VanDerWaalsContact C-N 3.25Å; F93-E95 PolarHBondContact O-N 3.19Å
96	F	63.5	Low	65.8	Low	168 Å²	168	102.2 Å²	102.2	74%	0.737	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-91	-6.4	175.6	-71	-88.7	0	0	0	113.4	F93 E94	F93-F96 HydrophobicContact CB-CD2 4.02Å; F93-F96 AromaticContact CD1-CD2 3.92Å; F93-F96 HydrophobicContact CD1-CD2 3.92Å; F93-F96 AromaticContact CD1-CE2 3.79Å; F93-F96 HydrophobicContact CD1-CE2 3.79Å; F93-F96 HydrophobicContact CG-CD2 4.49Å; F93-F96 WeakPolarHBondContact O-CB 3.5Å; F93-F96 PolarHBondContact O-N 3.23Å; E94-F96 PolarHBondContact O-N 2.98Å; E94-F96 VanDerWaalsContact O-N 3.08Å
97	L	65.6	Low	67.8	Low	102 Å²	102	99.5 Å²	99.5	53%	0.534	49%	0.49	S	S	.	.	S	Bend	trans	-88.4	143.2	176.7	-65.6	169.4	0	0	0	109.7	E94 G99	E94-L97 PolarHBondContact O-N 2.86Å; E94-L97 VanDerWaalsContact O-N 3.1Å; L97-G99 PolarHBondContact O-N 3.45Å
98	Q	71.6	Confident	69.2	Low	161 Å²	161	94.7 Å²	94.7	75%	0.752	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-65.3	130.5	175	-172.2	174.5	12.5	0	0	110.2	N100	Q98-N100 PolarHBondContact O-N 3.25Å
99	G	71.7	Confident	70.9	Confident	19 Å²	19	97.3 Å²	97.3	20%	0.196	48%	0.483	C	S	.	.	P	Polyproline II helix	trans	-51.2	133.8	-177.4	0	0	0	0	0	112.6	L97 E104	L97-G99 PolarHBondContact O-N 3.45Å; G99-E104 WeakPolarHBondContact CA-OE1 3.42Å
100	N	83.9	Confident	72.8	Confident	63 Å²	63	91.4 Å²	91.4	34%	0.337	45%	0.452	S	S	.	.			trans	-130	113.9	-178	-173.4	-77.6	0	0	0	112.4	Q98 E102 R103 E104	Q98-N100 PolarHBondContact O-N 3.25Å; N100-E102 VanDerWaalsContact C-N 3.35Å; N100-E102 PolarHBondContact O-N 3.09Å; N100-E102 PolarHBondContact OD1-N 2.85Å; N100-R103 HydrophobicContact CB-CB 4Å; N100-R103 PolarHBondContact O-N 2.83Å; N100-R103 VanDerWaalsContact O-N 3.12Å; N100-R103 PolarHBondContact OD1-N 3Å; N100-E104 PolarHBondContact N-OE1 2.66Å; N100-E104 PolarHBondContact O-N 3.39Å
101	L	85.1	Confident	74.5	Confident	57 Å²	57	90.7 Å²	90.7	30%	0.298	45%	0.445	S	S	.	.	H	α-helix	trans	-51.4	-47.8	-177.2	-178.5	63.1	0	0	0	114.1	C105 M106 I118 F119 F128	L101-C105 HydrophobicContact CD1-CB 4.01Å; L101-C105 PolarHBondContact O-N 3.17Å; L101-M106 HydrophobicContact CG-CG 4.45Å; L101-M106 PolarHBondContact O-N 2.92Å; L101-M106 VanDerWaalsContact O-N 3.16Å; L101-I118 HydrophobicContact CB-CG2 3.95Å; L101-F119 HydrophobicContact CD1-CE2 4.29Å; L101-F119 HydrophobicContact CD1-CZ 3.95Å; L101-F119 HydrophobicContact CD2-CZ 4.15Å; L101-F128 HydrophobicContact CD1-CD2 3.98Å; L101-F128 HydrophobicContact CD1-CE1 4.09Å; L101-F128 HydrophobicContact CD1-CE2 3.47Å; L101-F128 VanDerWaalsContact CD1-CE2 3.47Å; L101-F128 HydrophobicContact CD1-CZ 3.52Å
102	E	83.1	Confident	75.9	Confident	105 Å²	105	91.8 Å²	91.8	49%	0.491	44%	0.438	S	S	.	.	I	π-helix	trans	-66.3	-43.7	-177.4	-172.5	68.1	-170.8	0	0	110.5	N100 M106 E107	N100-E102 VanDerWaalsContact C-N 3.35Å; N100-E102 PolarHBondContact O-N 3.09Å; N100-E102 PolarHBondContact OD1-N 2.85Å; E102-M106 WeakPolarHBondContact O-CB 3.28Å; E102-M106 PolarHBondContact O-N 3.29Å; E102-E107 WeakPolarHBondContact O-CB 3.36Å; E102-E107 VanDerWaalsContact O-CG 3.31Å; E102-E107 WeakPolarHBondContact O-CG 3.47Å; E102-E107 PolarHBondContact O-N 3Å
103	R	84.8	Confident	77.5	Confident	85 Å²	85	88.3 Å²	88.3	32%	0.321	42%	0.42	S	S	.	.	I	π-helix	trans	-70	-47.1	-177.5	-170.6	-171.2	-53.8	160.8	11	112.8	N100	N100-R103 HydrophobicContact CB-CB 4Å; N100-R103 PolarHBondContact O-N 2.83Å; N100-R103 VanDerWaalsContact O-N 3.12Å; N100-R103 PolarHBondContact OD1-N 3Å
104	E	84.3	Confident	79.1	Confident	35 Å²	35	84.3 Å²	84.3	16%	0.164	40%	0.403	C	S	.	.	I	π-helix	trans	-90.2	-37	-167.9	-74.3	159.3	-142	0	0	112.3	G99 N100 E108 C110 I118	G99-E104 WeakPolarHBondContact CA-OE1 3.42Å; N100-E104 PolarHBondContact N-OE1 2.66Å; N100-E104 PolarHBondContact O-N 3.39Å; E104-E108 CarbonylContact O-C 3.48Å; E104-E108 VanDerWaalsContact O-C 3.22Å; E104-E108 WeakPolarHBondContact O-CB 3.37Å; E104-E108 VanDerWaalsContact O-O 3.13Å; E104-C110 HydrophobicContact CB-CB 4.49Å; E104-C110 WeakPolarHBondContact O-CB 3.44Å; E104-C110 PolarHBondContact O-N 3.25Å; E104-I118 HydrophobicContact CB-CD1 4.22Å
105	C	86.4	Confident	80.4	Confident	3 Å²	3	81.8 Å²	81.8	2%	0.02	39%	0.391	C	S	.	.	I	π-helix	trans	-111.7	-23.8	-174.1	-59	0	0	0	0	114.6	L101 E108 C110 F128 Y132	L101-C105 HydrophobicContact CD1-CB 4.01Å; L101-C105 PolarHBondContact O-N 3.17Å; C105-E108 CarbonylContact C-O 3.57Å; C105-E108 WeakPolarHBondContact CA-O 3.35Å; C105-C110 HydrophobicContact CB-CB 4Å; C105-C110 WeakPolarHBondContact CB-SG 3.34Å; C105-C110 WeakPolarHBondContact SG-CB 3.37Å; C105-C110 CovalentContact SG-SG 2.04Å; C105-C110 PolarHBondContact SG-SG 3.23Å; C105-F128 HydrophobicContact CB-CE1 4.11Å; C105-F128 HydrophobicContact CB-CZ 3.65Å; C105-Y132 HydrophobicContact CB-CE2 4.11Å; C105-Y132 WeakPolarHBondContact O-CE2 3.13Å; C105-Y132 VanDerWaalsContact O-CZ 3.3Å; C105-Y132 PolarHBondContact O-OH 3.38Å
106	M	83.4	Confident	81.8	Confident	117 Å²	117	78.4 Å²	78.4	58%	0.576	37%	0.371	S	S	*	.	I	π-helix	trans	-97.1	-45.2	-179.6	-55.3	-65.4	-106.6	0	0	112.3	L101 E102	L101-M106 HydrophobicContact CG-CG 4.45Å; L101-M106 PolarHBondContact O-N 2.92Å; L101-M106 VanDerWaalsContact O-N 3.16Å; E102-M106 WeakPolarHBondContact O-CB 3.28Å; E102-M106 PolarHBondContact O-N 3.29Å
107	E	84.2	Confident	82.8	Confident	78 Å²	78	74.9 Å²	74.9	36%	0.364	36%	0.357	S	S	.	.	S	Bend	trans	-76.8	-26.9	173.3	-67.6	-179.8	179.9	0	0	111.4	R84 E102	R84-E107 IonicContact CZ-OE1 2.72Å; R84-E107 IonicContact CZ-OE2 3.66Å; R84-E107 IonicContact NE-OE2 3.83Å; R84-E107 IonicContact NH1-OE1 2.58Å; R84-E107 PolarHBondContact NH1-OE1 2.73Å; R84-E107 IonicContact NH1-OE2 3.66Å; R84-E107 PolarHBondContact NH1-OE2 2.86Å; R84-E107 IonicContact NH2-OE1 2.7Å; R84-E107 PolarHBondContact NH2-OE1 3.43Å; R84-E107 IonicContact NH2-OE2 3.46Å; R84-E107 PolarHBondContact NH2-OE2 3.25Å; E102-E107 WeakPolarHBondContact O-CB 3.36Å; E102-E107 VanDerWaalsContact O-CG 3.31Å; E102-E107 WeakPolarHBondContact O-CG 3.47Å; E102-E107 PolarHBondContact O-N 3Å
108	E	82.1	Confident	83.8	Confident	43 Å²	43	71.5 Å²	71.5	20%	0.201	34%	0.339	C	S	.	.	S	Bend	trans	-134.3	172.9	-176.6	-58.1	-160.2	173.8	0	0	113.3	R87 E104 C105 Y132	R87-E108 VanDerWaalsContact CA-OE1 3.25Å; R87-E108 WeakPolarHBondContact CA-OE1 3.31Å; R87-E108 WeakPolarHBondContact CB-OE1 3.45Å; R87-E108 PolarHBondContact N-OE1 3.14Å; R87-E108 VanDerWaalsContact O-OE1 3.04Å; E104-E108 CarbonylContact O-C 3.48Å; E104-E108 VanDerWaalsContact O-C 3.22Å; E104-E108 WeakPolarHBondContact O-CB 3.37Å; E104-E108 VanDerWaalsContact O-O 3.13Å; C105-E108 CarbonylContact C-O 3.57Å; C105-E108 WeakPolarHBondContact CA-O 3.35Å; E108-Y132 PolarHBondContact O-OH 2.89Å
109	K	81.8	Confident	84.6	Confident	187 Å²	187	66.4 Å²	66.4	81%	0.813	31%	0.314	S	S	*	.			trans	-96.1	105.9	177.7	-171.2	179.1	-179.1	179.2	0	109.9	Y132	K109-Y132 VanDerWaalsContact CA-OH 3.28Å; K109-Y132 WeakPolarHBondContact CA-OH 3.46Å
110	C	86.6	Confident	85.1	Confident	6 Å²	6	73 Å²	73	4%	0.041	34%	0.34	C	S	.	.			trans	-89.2	160.5	178.8	69.4	0	0	0	0	113.3	E104 C105 E114 W129 Y132	E104-C110 HydrophobicContact CB-CB 4.49Å; E104-C110 WeakPolarHBondContact O-CB 3.44Å; E104-C110 PolarHBondContact O-N 3.25Å; C105-C110 HydrophobicContact CB-CB 4Å; C105-C110 WeakPolarHBondContact CB-SG 3.34Å; C105-C110 WeakPolarHBondContact SG-CB 3.37Å; C105-C110 CovalentContact SG-SG 2.04Å; C105-C110 PolarHBondContact SG-SG 3.23Å; C110-E114 WeakPolarHBondContact CA-OE2 3.16Å; C110-E114 HydrophobicContact CB-CB 4.07Å; C110-E114 WeakPolarHBondContact CB-OE2 3.46Å; C110-W129 WeakPolarHBondContact O-CH2 3.44Å; C110-Y132 PolarHBondContact N-OH 2.82Å; C110-Y132 VanDerWaalsContact N-OH 3.16Å; C110-Y132 VanDerWaalsContact SG-CE1 3.58Å
111	N	87.4	Confident	85.5	Confident	76 Å²	76	73 Å²	73	41%	0.406	34%	0.34	S	S	.	.			trans	-99.3	173.6	170.2	74.3	59.9	0	0	0	111.6	E113 E114 A115 W129	N111-E113 VanDerWaalsContact C-N 3.31Å; N111-E113 PolarHBondContact O-N 3.18Å; N111-E113 WeakPolarHBondContact OD1-CB 3.24Å; N111-E113 PolarHBondContact OD1-N 3.45Å; N111-E114 PolarHBondContact N-OE2 3.18Å; N111-E114 PolarHBondContact ND2-OE1 2.93Å; N111-E114 PolarHBondContact ND2-OE2 2.93Å; N111-E114 PolarHBondContact O-N 2.72Å; N111-E114 PolarHBondContact OD1-N 3.41Å; N111-A115 PolarHBondContact O-N 3.43Å; N111-W129 WeakPolarHBondContact O-CZ3 3.24Å
112	L	85.9	Confident	85.5	Confident	73 Å²	73	75 Å²	75	38%	0.382	35%	0.351	S	S	.	.	H	α-helix	trans	-65.2	-32.7	-174.6	178	62.1	0	0	0	113	A115 R116 T125 M126 W129	L112-A115 PolarHBondContact O-N 2.86Å; L112-R116 WeakPolarHBondContact O-CB 3.38Å; L112-R116 PolarHBondContact O-N 3.45Å; L112-T125 HydrophobicContact CD1-CG2 4.05Å; L112-M126 HydrophobicContact CD1-SD 4.14Å; L112-W129 HydrophobicContact CB-CD2 4.26Å; L112-W129 HydrophobicContact CB-CH2 4.43Å; L112-W129 HydrophobicContact CB-CZ2 4.01Å; L112-W129 HydrophobicContact CD1-CB 4.06Å; L112-W129 HydrophobicContact CD1-CD2 3.76Å; L112-W129 HydrophobicContact CD1-CE3 4.41Å; L112-W129 HydrophobicContact CD1-CG 3.54Å
113	E	84.6	Confident	85.8	Confident	101 Å²	101	77.8 Å²	77.8	47%	0.472	36%	0.364	S	S	.	.	H	α-helix	trans	-71.2	-42.4	-179.7	-164.6	60.5	-153.4	0	0	110.4	N111 A115 R116 E117	N111-E113 VanDerWaalsContact C-N 3.31Å; N111-E113 PolarHBondContact O-N 3.18Å; N111-E113 WeakPolarHBondContact OD1-CB 3.24Å; N111-E113 PolarHBondContact OD1-N 3.45Å; E113-A115 VanDerWaalsContact C-N 3.34Å; E113-A115 PolarHBondContact O-N 2.94Å; E113-R116 WeakPolarHBondContact O-CA 3.15Å; E113-R116 VanDerWaalsContact O-CB 3.32Å; E113-R116 WeakPolarHBondContact O-CB 3.38Å; E113-R116 PolarHBondContact O-N 2.9Å; E113-R116 IonicContact OE1-NE 2.86Å; E113-E117 WeakPolarHBondContact O-CG 3.17Å; E113-E117 PolarHBondContact O-N 3.41Å
114	E	86.4	Confident	86	Confident	57 Å²	57	80 Å²	80	27%	0.266	38%	0.376	S	S	.	.	H	α-helix	trans	-60.6	-43.5	173.3	-68	163.6	171	0	0	111.2	C110 N111 R116 E117 I118	C110-E114 WeakPolarHBondContact CA-OE2 3.16Å; C110-E114 HydrophobicContact CB-CB 4.07Å; C110-E114 WeakPolarHBondContact CB-OE2 3.46Å; N111-E114 PolarHBondContact N-OE2 3.18Å; N111-E114 PolarHBondContact ND2-OE1 2.93Å; N111-E114 PolarHBondContact ND2-OE2 2.93Å; N111-E114 PolarHBondContact O-N 2.72Å; N111-E114 PolarHBondContact OD1-N 3.41Å; E114-R116 PolarHBondContact O-N 3.45Å; E114-E117 PolarHBondContact O-N 2.88Å; E114-I118 WeakPolarHBondContact O-CD1 3.42Å; E114-I118 WeakPolarHBondContact O-CG1 3.24Å; E114-I118 PolarHBondContact O-N 2.89Å; E114-I118 VanDerWaalsContact O-N 3.15Å
115	A	86.6	Confident	86.2	Confident	0 Å²	0	78.4 Å²	78.4	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-60.6	-34.5	172.7	0	0	0	0	0	112.4	N111 L112 E113 I118 F119 T125 F128 W129	N111-A115 PolarHBondContact O-N 3.43Å; L112-A115 PolarHBondContact O-N 2.86Å; E113-A115 VanDerWaalsContact C-N 3.34Å; E113-A115 PolarHBondContact O-N 2.94Å; A115-I118 PolarHBondContact O-N 3.35Å; A115-F119 VanDerWaalsContact O-CD2 3.24Å; A115-F119 WeakPolarHBondContact O-CD2 3.4Å; A115-F119 PolarHBondContact O-N 2.91Å; A115-T125 HydrophobicContact CB-CG2 4.13Å; A115-F128 HydrophobicContact CB-CD1 4.14Å; A115-F128 HydrophobicContact CB-CE1 4.21Å; A115-W129 HydrophobicContact CB-CE3 3.79Å; A115-W129 HydrophobicContact CB-CZ3 4.28Å
116	R	87.6	Confident	86.2	Confident	110 Å²	110	82.5 Å²	82.5	42%	0.415	39%	0.388	S	S	.	.	H	α-helix	trans	-71.3	-36.3	179.5	-164.7	174.1	119.6	100.4	0.3	112.2	L112 E113 E114 I118 E120 D122 T125	L112-R116 WeakPolarHBondContact O-CB 3.38Å; L112-R116 PolarHBondContact O-N 3.45Å; E113-R116 WeakPolarHBondContact O-CA 3.15Å; E113-R116 VanDerWaalsContact O-CB 3.32Å; E113-R116 WeakPolarHBondContact O-CB 3.38Å; E113-R116 PolarHBondContact O-N 2.9Å; E113-R116 IonicContact OE1-NE 2.86Å; E114-R116 PolarHBondContact O-N 3.45Å; R116-I118 VanDerWaalsContact C-N 3.31Å; R116-E120 WeakPolarHBondContact O-CA 3.44Å; R116-E120 PolarHBondContact O-N 3.05Å; R116-D122 IonicContact CZ-OD1 3.78Å; R116-D122 IonicContact NH1-OD1 2.92Å; R116-D122 PolarHBondContact NH1-OD1 2.85Å; R116-D122 IonicContact NH1-OD2 3.83Å; R116-T125 HydrophobicContact CB-CG2 3.91Å; R116-T125 HydrophobicContact CG-CG2 4.34Å
117	E	86.2	Confident	86.3	Confident	94 Å²	94	79.6 Å²	79.6	44%	0.439	38%	0.383	S	S	.	.	H	α-helix	trans	-66.2	-31.6	173.6	-69.2	177.4	179.4	0	0	112.3	E113 E114	E113-E117 WeakPolarHBondContact O-CG 3.17Å; E113-E117 PolarHBondContact O-N 3.41Å; E114-E117 PolarHBondContact O-N 2.88Å
118	I	86.4	Confident	86.5	Confident	31 Å²	31	77.6 Å²	77.6	16%	0.159	37%	0.373	C	S	.	.	H	α-helix	trans	-69.4	-44.7	177.5	-70.1	159.3	0	0	0	112.8	L101 E104 E114 A115 R116	L101-I118 HydrophobicContact CB-CG2 3.95Å; E104-I118 HydrophobicContact CB-CD1 4.22Å; E114-I118 WeakPolarHBondContact O-CD1 3.42Å; E114-I118 WeakPolarHBondContact O-CG1 3.24Å; E114-I118 PolarHBondContact O-N 2.89Å; E114-I118 VanDerWaalsContact O-N 3.15Å; A115-I118 PolarHBondContact O-N 3.35Å; R116-I118 VanDerWaalsContact C-N 3.31Å
119	F	87.3	Confident	86.8	Confident	55 Å²	55	77.3 Å²	77.3	24%	0.241	37%	0.371	C	S	.	.	H	α-helix	trans	-98.4	-17.4	-171.8	-64.3	-73.6	0	0	0	114.2	L101 A115 N121 K124 F128	L101-F119 HydrophobicContact CD1-CE2 4.29Å; L101-F119 HydrophobicContact CD1-CZ 3.95Å; L101-F119 HydrophobicContact CD2-CZ 4.15Å; A115-F119 VanDerWaalsContact O-CD2 3.24Å; A115-F119 WeakPolarHBondContact O-CD2 3.4Å; A115-F119 PolarHBondContact O-N 2.91Å; F119-N121 WeakPolarHBondContact O-CB 3.49Å; F119-N121 PolarHBondContact O-N 3.29Å; F119-K124 HydrophobicContact CB-CB 3.89Å; F119-K124 HydrophobicContact CD1-CB 4.18Å; F119-K124 HydrophobicContact CG-CB 4.14Å; F119-F128 HydrophobicContact CD2-CB 4.27Å; F119-F128 HydrophobicContact CE2-CB 3.47Å; F119-F128 VanDerWaalsContact CE2-CB 3.47Å; F119-F128 AromaticContact CE2-CD1 3.58Å; F119-F128 HydrophobicContact CE2-CD1 3.58Å; F119-F128 HydrophobicContact CE2-CD2 4.19Å; F119-F128 HydrophobicContact CE2-CE1 4.41Å; F119-F128 AromaticContact CE2-CG 3.45Å; F119-F128 HydrophobicContact CE2-CG 3.45Å; F119-F128 VanDerWaalsContact CE2-CG 3.45Å; F119-F128 HydrophobicContact CZ-CB 3.72Å; F119-F128 HydrophobicContact CZ-CD1 4.27Å; F119-F128 HydrophobicContact CZ-CD2 4.05Å; F119-F128 AromaticContact CZ-CG 3.73Å; F119-F128 HydrophobicContact CZ-CG 3.73Å
120	E	83.8	Confident	87.1	Confident	156 Å²	156	68.6 Å²	68.6	73%	0.729	33%	0.333	S	S	*	.	S	Bend	trans	47.8	25.2	-178.1	-60.8	179.1	-172.4	0	0	113.4	R116	R116-E120 WeakPolarHBondContact O-CA 3.44Å; R116-E120 PolarHBondContact O-N 3.05Å
121	N	90.8	Very high	87.2	Confident	65 Å²	65	75.2 Å²	75.2	35%	0.348	36%	0.358	S	S	.	.	S	Bend	trans	-153.5	117.7	-174.7	177.5	-81.3	0	0	0	109.4	F119 E123 K124 T125	F119-N121 WeakPolarHBondContact O-CB 3.49Å; F119-N121 PolarHBondContact O-N 3.29Å; N121-E123 VanDerWaalsContact C-N 3.29Å; N121-E123 PolarHBondContact O-N 2.76Å; N121-E123 WeakPolarHBondContact OD1-CB 3.43Å; N121-E123 PolarHBondContact OD1-N 3.06Å; N121-E123 VanDerWaalsContact OD1-N 3.11Å; N121-K124 HydrophobicContact CB-CB 4.22Å; N121-K124 HydrophobicContact CB-CD 4.23Å; N121-K124 HydrophobicContact CB-CG 4.32Å; N121-K124 PolarHBondContact O-N 2.8Å; N121-K124 VanDerWaalsContact O-N 3.15Å; N121-K124 PolarHBondContact OD1-N 3.37Å; N121-T125 WeakPolarHBondContact O-CB 3.39Å; N121-T125 PolarHBondContact O-N 3.37Å; N121-T125 PolarHBondContact O-OG1 3.35Å
122	D	86.6	Confident	87.2	Confident	97 Å²	97	74.7 Å²	74.7	52%	0.519	35%	0.35	S	S	.	.	H	α-helix	trans	-59.8	-35.9	-172.8	-67.2	-28.6	0	0	0	113.3	R116 M126	R116-D122 IonicContact CZ-OD1 3.78Å; R116-D122 IonicContact NH1-OD1 2.92Å; R116-D122 PolarHBondContact NH1-OD1 2.85Å; R116-D122 IonicContact NH1-OD2 3.83Å; D122-M126 VanDerWaalsContact O-CB 3.32Å; D122-M126 WeakPolarHBondContact O-CB 3.38Å; D122-M126 VanDerWaalsContact O-CG 3.23Å; D122-M126 WeakPolarHBondContact O-CG 3.03Å; D122-M126 PolarHBondContact O-N 3.33Å
123	E	87.8	Confident	87.3	Confident	165 Å²	165	74 Å²	74	77%	0.771	36%	0.355	S	S	*	.	H	α-helix	trans	-67.4	-43.9	178	-65.7	-174.2	165.7	0	0	111.9	N121 A127	N121-E123 VanDerWaalsContact C-N 3.29Å; N121-E123 PolarHBondContact O-N 2.76Å; N121-E123 WeakPolarHBondContact OD1-CB 3.43Å; N121-E123 PolarHBondContact OD1-N 3.06Å; N121-E123 VanDerWaalsContact OD1-N 3.11Å; E123-A127 VanDerWaalsContact O-CB 3.27Å; E123-A127 WeakPolarHBondContact O-CB 3.3Å; E123-A127 PolarHBondContact O-N 2.75Å
124	K	88.7	Confident	87.5	Confident	131 Å²	131	72.4 Å²	72.4	57%	0.57	35%	0.35	S	S	*	.	H	α-helix	trans	-68.5	-43	177.4	-69.8	-178.7	-177.2	175	0	111.6	F119 N121 A127 F128	F119-K124 HydrophobicContact CB-CB 3.89Å; F119-K124 HydrophobicContact CD1-CB 4.18Å; F119-K124 HydrophobicContact CG-CB 4.14Å; N121-K124 HydrophobicContact CB-CB 4.22Å; N121-K124 HydrophobicContact CB-CD 4.23Å; N121-K124 HydrophobicContact CB-CG 4.32Å; N121-K124 PolarHBondContact O-N 2.8Å; N121-K124 VanDerWaalsContact O-N 3.15Å; N121-K124 PolarHBondContact OD1-N 3.37Å; K124-A127 PolarHBondContact O-N 3.05Å; K124-F128 PolarHBondContact O-N 3.33Å
125	T	89.3	Confident	87.5	Confident	2 Å²	2	71.3 Å²	71.3	1%	0.012	35%	0.354	C	S	.	.	H	α-helix	trans	-57	-50.7	175.4	-57.2	0	0	0	0	110.5	L112 A115 R116 N121 A127 F128 W129	L112-T125 HydrophobicContact CD1-CG2 4.05Å; A115-T125 HydrophobicContact CB-CG2 4.13Å; R116-T125 HydrophobicContact CB-CG2 3.91Å; R116-T125 HydrophobicContact CG-CG2 4.34Å; N121-T125 WeakPolarHBondContact O-CB 3.39Å; N121-T125 PolarHBondContact O-N 3.37Å; N121-T125 PolarHBondContact O-OG1 3.35Å; T125-A127 PolarHBondContact O-N 3.06Å; T125-F128 PolarHBondContact O-N 2.88Å; T125-W129 WeakPolarHBondContact O-CB 3.46Å; T125-W129 PolarHBondContact O-N 3.04Å
126	M	86	Confident	87.6	Confident	88 Å²	88	73.1 Å²	73.1	43%	0.433	36%	0.364	S	S	.	.	H	α-helix	trans	-69.1	-33.7	-178.5	-69.9	-59.2	-63.7	0	0	112.9	L112 D122 W129 S130 M153	L112-M126 HydrophobicContact CD1-SD 4.14Å; D122-M126 VanDerWaalsContact O-CB 3.32Å; D122-M126 WeakPolarHBondContact O-CB 3.38Å; D122-M126 VanDerWaalsContact O-CG 3.23Å; D122-M126 WeakPolarHBondContact O-CG 3.03Å; D122-M126 PolarHBondContact O-N 3.33Å; M126-W129 PolarHBondContact O-N 2.91Å; M126-S130 PolarHBondContact O-N 3.41Å; M126-M153 HydrophobicContact CE-CE 4.24Å
127	A	85.6	Confident	87.7	Confident	57 Å²	57	69.8 Å²	69.8	47%	0.471	35%	0.353	S	S	.	.	H	α-helix	trans	-68.5	-32.5	175.2	0	0	0	0	0	113.2	E123 K124 T125 S130	E123-A127 VanDerWaalsContact O-CB 3.27Å; E123-A127 WeakPolarHBondContact O-CB 3.3Å; E123-A127 PolarHBondContact O-N 2.75Å; K124-A127 PolarHBondContact O-N 3.05Å; T125-A127 PolarHBondContact O-N 3.06Å; A127-S130 PolarHBondContact O-OG 3.42Å
128	F	89.5	Confident	88	Confident	35 Å²	35	66.4 Å²	66.4	15%	0.154	34%	0.339	C	S	.	.	H	α-helix	trans	-72.8	-49.2	169.5	167.8	-101.3	0	0	0	110.9	L101 C105 A115 F119 K124 T125 S130 R131 Y132	L101-F128 HydrophobicContact CD1-CD2 3.98Å; L101-F128 HydrophobicContact CD1-CE1 4.09Å; L101-F128 HydrophobicContact CD1-CE2 3.47Å; L101-F128 VanDerWaalsContact CD1-CE2 3.47Å; L101-F128 HydrophobicContact CD1-CZ 3.52Å; C105-F128 HydrophobicContact CB-CE1 4.11Å; C105-F128 HydrophobicContact CB-CZ 3.65Å; A115-F128 HydrophobicContact CB-CD1 4.14Å; A115-F128 HydrophobicContact CB-CE1 4.21Å; F119-F128 HydrophobicContact CD2-CB 4.27Å; F119-F128 HydrophobicContact CE2-CB 3.47Å; F119-F128 VanDerWaalsContact CE2-CB 3.47Å; F119-F128 AromaticContact CE2-CD1 3.58Å; F119-F128 HydrophobicContact CE2-CD1 3.58Å; F119-F128 HydrophobicContact CE2-CD2 4.19Å; F119-F128 HydrophobicContact CE2-CE1 4.41Å; F119-F128 AromaticContact CE2-CG 3.45Å; F119-F128 HydrophobicContact CE2-CG 3.45Å; F119-F128 VanDerWaalsContact CE2-CG 3.45Å; F119-F128 HydrophobicContact CZ-CB 3.72Å; F119-F128 HydrophobicContact CZ-CD1 4.27Å; F119-F128 HydrophobicContact CZ-CD2 4.05Å; F119-F128 AromaticContact CZ-CG 3.73Å; F119-F128 HydrophobicContact CZ-CG 3.73Å; K124-F128 PolarHBondContact O-N 3.33Å; T125-F128 PolarHBondContact O-N 2.88Å; F128-S130 PolarHBondContact O-N 3.02Å; F128-R131 PolarHBondContact O-N 3.39Å; F128-Y132 HydrophobicContact CE1-CD1 4.29Å; F128-Y132 HydrophobicContact CE1-CD2 4.31Å; F128-Y132 AromaticContact CE1-CG 3.91Å; F128-Y132 HydrophobicContact CE1-CG 3.91Å; F128-Y132 HydrophobicContact CE2-CD2 4.24Å; F128-Y132 HydrophobicContact CE2-CG 4.44Å; F128-Y132 HydrophobicContact CZ-CD1 4.38Å; F128-Y132 AromaticContact CZ-CD2 3.61Å; F128-Y132 HydrophobicContact CZ-CD2 3.61Å; F128-Y132 HydrophobicContact CZ-CE2 4.27Å; F128-Y132 AromaticContact CZ-CG 3.66Å; F128-Y132 HydrophobicContact CZ-CG 3.66Å; F128-Y132 WeakPolarHBondContact O-CB 3.16Å; F128-Y132 PolarHBondContact O-N 3.44Å
129	W	88.8	Confident	88.3	Confident	37 Å²	37	72.2 Å²	72.2	14%	0.14	37%	0.366	C	S	.	.	H	α-helix	trans	-65.7	-35.5	-171.6	-172.2	-104.1	0	0	0	113.2	C110 N111 L112 A115 T125 M126 R131 Y132 A133	C110-W129 WeakPolarHBondContact O-CH2 3.44Å; N111-W129 WeakPolarHBondContact O-CZ3 3.24Å; L112-W129 HydrophobicContact CB-CD2 4.26Å; L112-W129 HydrophobicContact CB-CH2 4.43Å; L112-W129 HydrophobicContact CB-CZ2 4.01Å; L112-W129 HydrophobicContact CD1-CB 4.06Å; L112-W129 HydrophobicContact CD1-CD2 3.76Å; L112-W129 HydrophobicContact CD1-CE3 4.41Å; L112-W129 HydrophobicContact CD1-CG 3.54Å; A115-W129 HydrophobicContact CB-CE3 3.79Å; A115-W129 HydrophobicContact CB-CZ3 4.28Å; T125-W129 WeakPolarHBondContact O-CB 3.46Å; T125-W129 PolarHBondContact O-N 3.04Å; M126-W129 PolarHBondContact O-N 2.91Å; W129-R131 PolarHBondContact O-N 3.49Å; W129-Y132 AromaticContact CE3-CD1 3.91Å; W129-Y132 HydrophobicContact CE3-CD1 3.91Å; W129-Y132 HydrophobicContact CH2-CD1 4.28Å; W129-Y132 AromaticContact CZ3-CD1 3.62Å; W129-Y132 HydrophobicContact CZ3-CD1 3.62Å; W129-Y132 AromaticContact CZ3-CE1 3.97Å; W129-Y132 HydrophobicContact CZ3-CE1 3.97Å; W129-Y132 PolarHBondContact O-N 3.06Å; W129-A133 HydrophobicContact CZ2-CB 4.46Å; W129-A133 VanDerWaalsContact O-CB 3.27Å; W129-A133 WeakPolarHBondContact O-CB 3.44Å; W129-A133 PolarHBondContact O-N 3.3Å
130	S	87.1	Confident	88.5	Confident	5 Å²	5	74.1 Å²	74.1	4%	0.035	39%	0.386	C	S	.	.	H	α-helix	trans	-55.3	-53.5	173.8	67.6	0	0	0	0	110.4	M126 A127 F128 Y132 A133 D134 D151	M126-S130 PolarHBondContact O-N 3.41Å; A127-S130 PolarHBondContact O-OG 3.42Å; F128-S130 PolarHBondContact O-N 3.02Å; S130-Y132 VanDerWaalsContact C-N 3.34Å; S130-Y132 PolarHBondContact O-N 2.97Å; S130-A133 PolarHBondContact O-N 3.28Å; S130-D134 PolarHBondContact O-N 2.81Å; S130-D151 WeakPolarHBondContact CB-OD2 3.22Å; S130-D151 PolarHBondContact OG-OD2 2.84Å
131	R	88.6	Confident	88.8	Confident	145 Å²	145	71 Å²	71	55%	0.547	38%	0.381	S	S	.	.	H	α-helix	trans	-65.5	-37.3	-179.8	-60.8	179.9	178.7	176.9	0.7	113.1	F128 W129 G135 N136 D151	F128-R131 PolarHBondContact O-N 3.39Å; W129-R131 PolarHBondContact O-N 3.49Å; R131-G135 CarbonylContact O-C 3.54Å; R131-G135 WeakPolarHBondContact O-CA 3.42Å; R131-G135 PolarHBondContact O-N 3.28Å; R131-N136 HydrophobicContact CG-CB 4.07Å; R131-D151 WeakPolarHBondContact CG-OD2 3.42Å
132	Y	87.9	Confident	89	Confident	64 Å²	64	68.6 Å²	68.6	25%	0.251	37%	0.369	S	S	.	.	H	α-helix	trans	-71.6	-39.4	-176.8	-174.9	-107.3	0	0	0	112.8	C105 E108 K109 C110 F128 W129 S130	C105-Y132 HydrophobicContact CB-CE2 4.11Å; C105-Y132 WeakPolarHBondContact O-CE2 3.13Å; C105-Y132 VanDerWaalsContact O-CZ 3.3Å; C105-Y132 PolarHBondContact O-OH 3.38Å; E108-Y132 PolarHBondContact O-OH 2.89Å; K109-Y132 VanDerWaalsContact CA-OH 3.28Å; K109-Y132 WeakPolarHBondContact CA-OH 3.46Å; C110-Y132 PolarHBondContact N-OH 2.82Å; C110-Y132 VanDerWaalsContact N-OH 3.16Å; C110-Y132 VanDerWaalsContact SG-CE1 3.58Å; F128-Y132 HydrophobicContact CE1-CD1 4.29Å; F128-Y132 HydrophobicContact CE1-CD2 4.31Å; F128-Y132 AromaticContact CE1-CG 3.91Å; F128-Y132 HydrophobicContact CE1-CG 3.91Å; F128-Y132 HydrophobicContact CE2-CD2 4.24Å; F128-Y132 HydrophobicContact CE2-CG 4.44Å; F128-Y132 HydrophobicContact CZ-CD1 4.38Å; F128-Y132 AromaticContact CZ-CD2 3.61Å; F128-Y132 HydrophobicContact CZ-CD2 3.61Å; F128-Y132 HydrophobicContact CZ-CE2 4.27Å; F128-Y132 AromaticContact CZ-CG 3.66Å; F128-Y132 HydrophobicContact CZ-CG 3.66Å; F128-Y132 WeakPolarHBondContact O-CB 3.16Å; F128-Y132 PolarHBondContact O-N 3.44Å; W129-Y132 AromaticContact CE3-CD1 3.91Å; W129-Y132 HydrophobicContact CE3-CD1 3.91Å; W129-Y132 HydrophobicContact CH2-CD1 4.28Å; W129-Y132 AromaticContact CZ3-CD1 3.62Å; W129-Y132 HydrophobicContact CZ3-CD1 3.62Å; W129-Y132 AromaticContact CZ3-CE1 3.97Å; W129-Y132 HydrophobicContact CZ3-CE1 3.97Å; W129-Y132 PolarHBondContact O-N 3.06Å; S130-Y132 VanDerWaalsContact C-N 3.34Å; S130-Y132 PolarHBondContact O-N 2.97Å
133	A	87.6	Confident	89.5	Confident	59 Å²	59	64.8 Å²	64.8	49%	0.488	35%	0.35	S	S	.	.	H	α-helix	trans	-81.2	-39.3	-174.5	0	0	0	0	0	113.3	W129 S130	W129-A133 HydrophobicContact CZ2-CB 4.46Å; W129-A133 VanDerWaalsContact O-CB 3.27Å; W129-A133 WeakPolarHBondContact O-CB 3.44Å; W129-A133 PolarHBondContact O-N 3.3Å; S130-A133 PolarHBondContact O-N 3.28Å
134	D	88.8	Confident	89.8	Confident	68 Å²	68	61.1 Å²	61.1	36%	0.364	34%	0.335	S	S	.	.	H	α-helix	trans	-134.1	10.3	-174	62	28.4	0	0	0	115.8	S130 Q137 G154	S130-D134 PolarHBondContact O-N 2.81Å; D134-Q137 PolarHBondContact OD1-NE2 3.15Å; D134-G154 WeakPolarHBondContact OD2-CA 3.33Å; D134-G154 PolarHBondContact OD2-N 2.8Å
135	G	87.3	Confident	89.9	Confident	34 Å²	34	58.4 Å²	58.4	35%	0.351	33%	0.327	S	S	.	.			trans	86.1	172.3	179.5	0	0	0	0	0	112.5	R131 Q137	R131-G135 CarbonylContact O-C 3.54Å; R131-G135 WeakPolarHBondContact O-CA 3.42Å; R131-G135 PolarHBondContact O-N 3.28Å; G135-Q137 PolarHBondContact O-NE2 3.49Å
136	N	87.2	Confident	90	Very high	38 Å²	38	66.8 Å²	66.8	20%	0.203	37%	0.366	C	S	.	.			trans	-93.4	107.3	178.2	175.4	11.6	0	0	0	110.6	R131 C138 E139	R131-N136 HydrophobicContact CG-CB 4.07Å; N136-C138 PolarHBondContact O-N 2.87Å; N136-C138 VanDerWaalsContact O-N 3.16Å; N136-C138 WeakPolarHBondContact OD1-CB 3.46Å; N136-C138 PolarHBondContact OD1-N 3.34Å; N136-E139 HydrophobicContact CB-CG 3.9Å; N136-E139 WeakPolarHBondContact O-CB 3.19Å; N136-E139 PolarHBondContact O-N 3.26Å; N136-E139 VanDerWaalsContact O-N 3.11Å
137	Q	89.9	Confident	90.3	Very high	40 Å²	40	63.3 Å²	63.3	19%	0.187	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-65.8	-19	-178.2	-73.1	100.2	90.4	0	0	113.4	D134 G135 E139 S140 D151 H152 Y155 Y156	D134-Q137 PolarHBondContact OD1-NE2 3.15Å; G135-Q137 PolarHBondContact O-NE2 3.49Å; Q137-E139 VanDerWaalsContact C-N 3.33Å; Q137-E139 PolarHBondContact O-N 2.74Å; Q137-S140 PolarHBondContact O-OG 2.77Å; Q137-D151 WeakPolarHBondContact CB-OD1 3.35Å; Q137-D151 PolarHBondContact N-OD1 3.31Å; Q137-D151 PolarHBondContact NE2-OD1 3.38Å; Q137-H152 PolarHBondContact OE1-O 2.97Å; Q137-Y155 PolarHBondContact OE1-O 2.81Å; Q137-Y156 HydrophobicContact CB-CD1 4.05Å
138	C	93.1	Very high	90.7	Very high	22 Å²	22	63.9 Å²	63.9	15%	0.149	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-79.3	-7.6	175.6	-65.9	0	0	0	0	114.5	N136 S140 S141 C149 K150 D151	N136-C138 PolarHBondContact O-N 2.87Å; N136-C138 VanDerWaalsContact O-N 3.16Å; N136-C138 WeakPolarHBondContact OD1-CB 3.46Å; N136-C138 PolarHBondContact OD1-N 3.34Å; C138-S140 PolarHBondContact O-N 2.58Å; C138-S141 PolarHBondContact O-N 3.09Å; C138-C149 WeakPolarHBondContact CA-SG 3.45Å; C138-C149 HydrophobicContact CB-CB 3.7Å; C138-C149 WeakPolarHBondContact CB-SG 3.35Å; C138-C149 WeakPolarHBondContact SG-CB 3.5Å; C138-C149 CovalentContact SG-SG 2.03Å; C138-C149 PolarHBondContact SG-SG 2.7Å; C138-K150 VanDerWaalsContact SG-C 3.55Å; C138-D151 PolarHBondContact SG-N 3.2Å
139	E	92.8	Very high	91	Very high	154 Å²	154	64 Å²	64	72%	0.72	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-60.7	-34	179.8	-79.6	-179.9	-174.7	0	0	113.2	N136 Q137 S141	N136-E139 HydrophobicContact CB-CG 3.9Å; N136-E139 WeakPolarHBondContact O-CB 3.19Å; N136-E139 PolarHBondContact O-N 3.26Å; N136-E139 VanDerWaalsContact O-N 3.11Å; Q137-E139 VanDerWaalsContact C-N 3.33Å; Q137-E139 PolarHBondContact O-N 2.74Å; E139-S141 PolarHBondContact O-N 3.07Å; E139-S141 VanDerWaalsContact O-N 3.14Å
140	S	90.8	Very high	91.2	Very high	94 Å²	94	68.1 Å²	68.1	66%	0.657	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-71.7	-2	177.5	64.9	0	0	0	0	113.9	Q137 C138	Q137-S140 PolarHBondContact O-OG 2.77Å; C138-S140 PolarHBondContact O-N 2.58Å
141	S	91.9	Very high	91.3	Very high	92 Å²	92	68.9 Å²	68.9	64%	0.643	38%	0.38	S	S	*	.			trans	49.7	56.5	-171.7	-58.3	0	0	0	0	112.5	C138 E139 C143	C138-S141 PolarHBondContact O-N 3.09Å; E139-S141 PolarHBondContact O-N 3.07Å; E139-S141 VanDerWaalsContact O-N 3.14Å; S141-C143 VanDerWaalsContact C-N 3.27Å; S141-C143 PolarHBondContact O-N 2.86Å
142	P	94.8	Very high	91.3	Very high	14 Å²	14	65.1 Å²	65.1	9%	0.091	37%	0.369	C	S	.	.			trans	-69.7	-23.6	-171.1	28.8	-35.2	0	0	0	113.4	L144 Y156 N168	P142-L144 PolarHBondContact O-N 2.9Å; P142-Y156 HydrophobicContact CB-CD2 4.2Å; P142-Y156 HydrophobicContact CB-CE1 4.2Å; P142-Y156 HydrophobicContact CB-CE2 3.58Å; P142-Y156 HydrophobicContact CG-CD1 4.33Å; P142-Y156 HydrophobicContact CG-CD2 3.69Å; P142-Y156 HydrophobicContact CG-CE1 4.26Å; P142-Y156 HydrophobicContact CG-CE2 3.61Å; P142-Y156 HydrophobicContact CG-CG 4.06Å; P142-N168 VanDerWaalsContact O-CB 3.32Å; P142-N168 WeakPolarHBondContact O-CB 3.38Å
143	C	96.3	Very high	91.2	Very high	17 Å²	17	66.4 Å²	66.4	12%	0.115	38%	0.378	C	S	.	.			trans	-80.3	110.7	179.7	-50.7	0	0	0	0	111.3	S141 G147 C149 C158	S141-C143 VanDerWaalsContact C-N 3.27Å; S141-C143 PolarHBondContact O-N 2.86Å; C143-G147 WeakPolarHBondContact CB-O 3.49Å; C143-C149 HydrophobicContact CB-CB 4.44Å; C143-C149 WeakPolarHBondContact SG-CA 3.33Å; C143-C149 WeakPolarHBondContact SG-CB 3.29Å; C143-C158 WeakPolarHBondContact CA-SG 3.39Å; C143-C158 HydrophobicContact CB-CB 3.79Å; C143-C158 WeakPolarHBondContact CB-SG 3.15Å; C143-C158 WeakPolarHBondContact SG-CA 3.31Å; C143-C158 WeakPolarHBondContact SG-CB 3.46Å; C143-C158 CovalentContact SG-SG 2.02Å; C143-C158 PolarHBondContact SG-SG 3.14Å
144	L	93.8	Very high	91.1	Very high	88 Å²	88	66.4 Å²	66.4	46%	0.461	38%	0.384	S	S	.	.			trans	-79.1	173.7	178.4	-53.9	-176.7	0	0	0	111.6	P142 Q146 G147 N168 C169 E170	P142-L144 PolarHBondContact O-N 2.9Å; L144-Q146 VanDerWaalsContact C-N 3.26Å; L144-Q146 PolarHBondContact O-N 3.03Å; L144-Q146 VanDerWaalsContact O-N 3.13Å; L144-G147 PolarHBondContact O-N 2.76Å; L144-N168 VanDerWaalsContact CB-O 3.3Å; L144-N168 WeakPolarHBondContact CB-O 3.37Å; L144-N168 PolarHBondContact N-O 3.29Å; L144-C169 WeakPolarHBondContact O-CB 3.36Å; L144-E170 HydrophobicContact CD1-CB 3.85Å
145	N	90.6	Very high	91.1	Very high	73 Å²	73	69.2 Å²	69.2	39%	0.39	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	41.4	171.9	-61	-53.1	0	0	0	114.3	G147 F164 C169	N145-G147 PolarHBondContact O-N 2.97Å; N145-F164 HydrophobicContact CB-CD1 3.58Å; N145-F164 HydrophobicContact CB-CD2 4.01Å; N145-F164 HydrophobicContact CB-CE1 3.58Å; N145-F164 HydrophobicContact CB-CE2 4.04Å; N145-F164 HydrophobicContact CB-CG 3.8Å; N145-F164 HydrophobicContact CB-CZ 3.82Å; N145-F164 VanDerWaalsContact CG-CD1 3.49Å; N145-F164 VanDerWaalsContact ND2-CD1 3.28Å; N145-F164 WeakPolarHBondContact ND2-CD1 3.32Å; N145-F164 WeakPolarHBondContact ND2-CE1 3.4Å; N145-C169 PolarHBondContact ND2-O 3.28Å
146	Q	91.3	Very high	91.3	Very high	179 Å²	179	70.7 Å²	70.7	84%	0.836	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.9	21.2	-179.9	-50.5	171	17.4	0	0	114	L144 V161	L144-Q146 VanDerWaalsContact C-N 3.26Å; L144-Q146 PolarHBondContact O-N 3.03Å; L144-Q146 VanDerWaalsContact O-N 3.13Å; Q146-V161 HydrophobicContact CB-CG2 4.14Å; Q146-V161 VanDerWaalsContact O-CG2 3.27Å; Q146-V161 WeakPolarHBondContact O-CG2 3.18Å
147	G	92.4	Very high	91.7	Very high	14 Å²	14	72.5 Å²	72.5	14%	0.144	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-64.6	143.9	172.2	0	0	0	0	0	112.4	C143 L144 N145 T159	C143-G147 WeakPolarHBondContact CB-O 3.49Å; L144-G147 PolarHBondContact O-N 2.76Å; N145-G147 PolarHBondContact O-N 2.97Å; G147-T159 CarbonylContact C-O 3.57Å; G147-T159 WeakPolarHBondContact CA-O 3.25Å
148	S	95.6	Very high	92	Very high	69 Å²	69	71.5 Å²	71.5	48%	0.483	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	126.8	177	-175.7	0	0	0	0	110.5	C158 T159	S148-C158 CarbonylContact O-C 3.56Å; S148-C158 WeakPolarHBondContact O-CA 3.36Å; S148-T159 PolarHBondContact N-O 3.2Å; S148-T159 PolarHBondContact O-N 3.33Å
149	C	94.9	Very high	92.1	Very high	37 Å²	37	74 Å²	74	25%	0.25	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	133.4	176.9	-167.4	0	0	0	0	111.6	C138 C143	C138-C149 WeakPolarHBondContact CA-SG 3.45Å; C138-C149 HydrophobicContact CB-CB 3.7Å; C138-C149 WeakPolarHBondContact CB-SG 3.35Å; C138-C149 WeakPolarHBondContact SG-CB 3.5Å; C138-C149 CovalentContact SG-SG 2.03Å; C138-C149 PolarHBondContact SG-SG 2.7Å; C143-C149 HydrophobicContact CB-CB 4.44Å; C143-C149 WeakPolarHBondContact SG-CA 3.33Å; C143-C149 WeakPolarHBondContact SG-CB 3.29Å
150	K	92.8	Very high	92	Very high	124 Å²	124	68.6 Å²	68.6	54%	0.539	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	124.6	168.2	-68.1	-172.5	177.5	-175.7	0	109.5	C138 Y156 I157	C138-K150 VanDerWaalsContact SG-C 3.55Å; K150-Y156 CarbonylContact O-C 3.52Å; K150-Y156 WeakPolarHBondContact O-CA 3.14Å; K150-I157 PolarHBondContact N-O 2.69Å; K150-I157 PolarHBondContact O-N 2.01Å
151	D	89.4	Confident	91.9	Very high	21 Å²	21	67.3 Å²	67.3	11%	0.112	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	140.1	178.7	-176.5	68.9	0	0	0	110.6	S130 R131 Q137 C138	S130-D151 WeakPolarHBondContact CB-OD2 3.22Å; S130-D151 PolarHBondContact OG-OD2 2.84Å; R131-D151 WeakPolarHBondContact CG-OD2 3.42Å; Q137-D151 WeakPolarHBondContact CB-OD1 3.35Å; Q137-D151 PolarHBondContact N-OD1 3.31Å; Q137-D151 PolarHBondContact NE2-OD1 3.38Å; C138-D151 PolarHBondContact SG-N 3.2Å
152	H	87.9	Confident	91.3	Very high	66 Å²	66	68.6 Å²	68.6	31%	0.306	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	172.8	176	-73	-84.3	0	0	0	109.1	Q137 G154 Y155	Q137-H152 PolarHBondContact OE1-O 2.97Å; H152-G154 PolarHBondContact O-N 2.71Å; H152-Y155 CarbonylContact C-O 3.52Å; H152-Y155 WeakPolarHBondContact CA-O 3.32Å; H152-Y155 HydrophobicContact CB-CD1 4.11Å; H152-Y155 HydrophobicContact CB-CD2 4.11Å; H152-Y155 HydrophobicContact CB-CE1 3.73Å; H152-Y155 HydrophobicContact CB-CE2 3.73Å; H152-Y155 HydrophobicContact CB-CG 4.28Å; H152-Y155 WeakPolarHBondContact CB-O 3.29Å; H152-Y155 AromaticContact CG-CE2 3.91Å; H152-Y155 AromaticContact CG-CZ 3.83Å; H152-Y155 PolarHBondContact N-O 3.27Å
153	M	86.8	Confident	90.4	Very high	92 Å²	92	69.5 Å²	69.5	45%	0.453	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	112.1	178.9	-175.5	-179.1	-70.7	0	0	110.8	M126 Y155	M126-M153 HydrophobicContact CE-CE 4.24Å; M153-Y155 VanDerWaalsContact C-N 3.28Å; M153-Y155 WeakPolarHBondContact O-CD1 3.35Å; M153-Y155 PolarHBondContact O-N 3.05Å
154	G	85.1	Confident	89.8	Confident	59 Å²	59	71.6 Å²	71.6	61%	0.608	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	2.9	176.6	0	0	0	0	0	115.3	D134 H152	D134-G154 WeakPolarHBondContact OD2-CA 3.33Å; D134-G154 PolarHBondContact OD2-N 2.8Å; H152-G154 PolarHBondContact O-N 2.71Å
155	Y	89.2	Confident	89.5	Confident	127 Å²	127	70.4 Å²	70.4	50%	0.498	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	169.3	178.2	70.4	-81.8	0	0	0	112.2	Q137 H152 M153 I157	Q137-Y155 PolarHBondContact OE1-O 2.81Å; H152-Y155 CarbonylContact C-O 3.52Å; H152-Y155 WeakPolarHBondContact CA-O 3.32Å; H152-Y155 HydrophobicContact CB-CD1 4.11Å; H152-Y155 HydrophobicContact CB-CD2 4.11Å; H152-Y155 HydrophobicContact CB-CE1 3.73Å; H152-Y155 HydrophobicContact CB-CE2 3.73Å; H152-Y155 HydrophobicContact CB-CG 4.28Å; H152-Y155 WeakPolarHBondContact CB-O 3.29Å; H152-Y155 AromaticContact CG-CE2 3.91Å; H152-Y155 AromaticContact CG-CZ 3.83Å; H152-Y155 PolarHBondContact N-O 3.27Å; M153-Y155 VanDerWaalsContact C-N 3.28Å; M153-Y155 WeakPolarHBondContact O-CD1 3.35Å; M153-Y155 PolarHBondContact O-N 3.05Å; Y155-I157 HydrophobicContact CD2-CG1 4.14Å; Y155-I157 HydrophobicContact CE2-CD1 3.94Å; Y155-I157 HydrophobicContact CE2-CG1 3.73Å
156	Y	91.9	Very high	89.4	Confident	65 Å²	65	68.1 Å²	68.1	26%	0.255	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	160.1	172.5	62	-85.4	0	0	0	111.2	Q137 P142 K150 N168	Q137-Y156 HydrophobicContact CB-CD1 4.05Å; P142-Y156 HydrophobicContact CB-CD2 4.2Å; P142-Y156 HydrophobicContact CB-CE1 4.2Å; P142-Y156 HydrophobicContact CB-CE2 3.58Å; P142-Y156 HydrophobicContact CG-CD1 4.33Å; P142-Y156 HydrophobicContact CG-CD2 3.69Å; P142-Y156 HydrophobicContact CG-CE1 4.26Å; P142-Y156 HydrophobicContact CG-CE2 3.61Å; P142-Y156 HydrophobicContact CG-CG 4.06Å; K150-Y156 CarbonylContact O-C 3.52Å; K150-Y156 WeakPolarHBondContact O-CA 3.14Å; Y156-N168 WeakPolarHBondContact CE2-OD1 3.39Å; Y156-N168 PolarHBondContact OH-ND2 3.35Å; Y156-N168 PolarHBondContact OH-OD1 3.41Å
157	I	93.8	Very high	89.4	Confident	75 Å²	75	64.5 Å²	64.5	39%	0.385	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	126.3	172.6	-60.3	-179.4	0	0	0	109	K150 Y155	K150-I157 PolarHBondContact N-O 2.69Å; K150-I157 PolarHBondContact O-N 2.01Å; Y155-I157 HydrophobicContact CD2-CG1 4.14Å; Y155-I157 HydrophobicContact CE2-CD1 3.94Å; Y155-I157 HydrophobicContact CE2-CG1 3.73Å
158	C	96.2	Very high	89.6	Confident	19 Å²	19	66 Å²	66	13%	0.128	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	126	167.9	-65.9	0	0	0	0	111.1	C143 S148 T167	C143-C158 WeakPolarHBondContact CA-SG 3.39Å; C143-C158 HydrophobicContact CB-CB 3.79Å; C143-C158 WeakPolarHBondContact CB-SG 3.15Å; C143-C158 WeakPolarHBondContact SG-CA 3.31Å; C143-C158 WeakPolarHBondContact SG-CB 3.46Å; C143-C158 CovalentContact SG-SG 2.02Å; C143-C158 PolarHBondContact SG-SG 3.14Å; S148-C158 CarbonylContact O-C 3.56Å; S148-C158 WeakPolarHBondContact O-CA 3.36Å; C158-T167 VanDerWaalsContact CB-O 3.29Å; C158-T167 WeakPolarHBondContact CB-O 3.34Å; C158-T167 PolarHBondContact SG-O 2.95Å; C158-T167 VanDerWaalsContact SG-O 3.34Å
159	T	95.3	Very high	89.5	Confident	76 Å²	76	62.7 Å²	62.7	47%	0.466	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	103.6	167.3	-50.4	0	0	0	0	108.3	G147 S148	G147-T159 CarbonylContact C-O 3.57Å; G147-T159 WeakPolarHBondContact CA-O 3.25Å; S148-T159 PolarHBondContact N-O 3.2Å; S148-T159 PolarHBondContact O-N 3.33Å
160	C	92.4	Very high	89.4	Confident	40 Å²	40	65 Å²	65	27%	0.27	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-77.1	145.1	-174.9	-53.7	0	0	0	0	112.8	F164 C169	C160-F164 HydrophobicContact CB-CB 4.31Å; C160-F164 WeakPolarHBondContact CB-O 3.46Å; C160-C169 WeakPolarHBondContact CA-SG 3.14Å; C160-C169 HydrophobicContact CB-CB 3.72Å; C160-C169 WeakPolarHBondContact CB-SG 3.19Å; C160-C169 WeakPolarHBondContact SG-CA 3.26Å; C160-C169 WeakPolarHBondContact SG-CB 3.46Å; C160-C169 CovalentContact SG-SG 2.04Å; C160-C169 PolarHBondContact SG-SG 2.84Å
161	V	87.3	Confident	88.9	Confident	67 Å²	67	63.3 Å²	63.3	41%	0.406	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-68.4	149.7	169.4	-176.7	0	0	0	0	109.3	Q146 G163 F164	Q146-V161 HydrophobicContact CB-CG2 4.14Å; Q146-V161 VanDerWaalsContact O-CG2 3.27Å; Q146-V161 WeakPolarHBondContact O-CG2 3.18Å; V161-G163 PolarHBondContact O-N 2.86Å; V161-F164 PolarHBondContact O-N 2.86Å; V161-F164 VanDerWaalsContact O-N 3.12Å
162	S	79.8	Confident	88.4	Confident	119 Å²	119	66.7 Å²	66.7	83%	0.832	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	128.9	178	-56.6	0	0	0	0	111.8
163	G	74.8	Confident	87.7	Confident	33 Å²	33	67.9 Å²	67.9	34%	0.34	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.4	-3.2	-176.2	0	0	0	0	0	114.7	V161 L173	V161-G163 PolarHBondContact O-N 2.86Å; G163-L173 PolarHBondContact O-N 2.83Å
164	F	85.3	Confident	87	Confident	60 Å²	60	69.5 Å²	69.5	26%	0.263	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	149	175.8	-60.8	-89.5	0	0	0	111.8	N145 C160 V161 C169 I171 V172	N145-F164 HydrophobicContact CB-CD1 3.58Å; N145-F164 HydrophobicContact CB-CD2 4.01Å; N145-F164 HydrophobicContact CB-CE1 3.58Å; N145-F164 HydrophobicContact CB-CE2 4.04Å; N145-F164 HydrophobicContact CB-CG 3.8Å; N145-F164 HydrophobicContact CB-CZ 3.82Å; N145-F164 VanDerWaalsContact CG-CD1 3.49Å; N145-F164 VanDerWaalsContact ND2-CD1 3.28Å; N145-F164 WeakPolarHBondContact ND2-CD1 3.32Å; N145-F164 WeakPolarHBondContact ND2-CE1 3.4Å; C160-F164 HydrophobicContact CB-CB 4.31Å; C160-F164 WeakPolarHBondContact CB-O 3.46Å; V161-F164 PolarHBondContact O-N 2.86Å; V161-F164 VanDerWaalsContact O-N 3.12Å; F164-C169 HydrophobicContact CB-CB 4.28Å; F164-I171 CarbonylContact C-O 3.33Å; F164-I171 VanDerWaalsContact CA-O 3.28Å; F164-I171 WeakPolarHBondContact CA-O 3.32Å; F164-V172 HydrophobicContact CD1-CG2 4.16Å; F164-V172 HydrophobicContact CE1-CG2 3.77Å
165	T	86.4	Confident	86.7	Confident	63 Å²	63	71 Å²	71	39%	0.387	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	-176.1	175	-166.1	0	0	0	0	109.9	C169 E170 I171 L173	T165-C169 CarbonylContact O-C 3.28Å; T165-C169 VanDerWaalsContact O-C 3.28Å; T165-C169 VanDerWaalsContact O-CA 3.28Å; T165-C169 WeakPolarHBondContact O-CA 3.13Å; T165-E170 PolarHBondContact O-N 2.98Å; T165-I171 HydrophobicContact CG2-CB 3.69Å; T165-I171 HydrophobicContact CG2-CD1 4.4Å; T165-I171 HydrophobicContact CG2-CG2 3.78Å; T165-I171 PolarHBondContact N-O 3.3Å; T165-I171 WeakPolarHBondContact O-CA 3.07Å; T165-I171 WeakPolarHBondContact O-CB 3.35Å; T165-I171 PolarHBondContact O-N 3.34Å; T165-L173 HydrophobicContact CG2-CD2 3.46Å; T165-L173 VanDerWaalsContact CG2-CD2 3.46Å; T165-L173 HydrophobicContact CG2-CG 3.97Å
166	G	89.1	Confident	86.4	Confident	25 Å²	25	70.1 Å²	70.1	26%	0.258	39%	0.388	S	S	.	.	S	Bend	trans	98.3	164.5	-172.7	0	0	0	0	0	111.6	N168 C169	G166-N168 PolarHBondContact O-N 2.89Å; G166-C169 PolarHBondContact O-N 2.87Å
167	T	92.1	Very high	86.2	Confident	104 Å²	104	68.3 Å²	68.3	64%	0.638	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-31.9	-177.8	-52.1	0	0	0	0	111.3	C158	C158-T167 VanDerWaalsContact CB-O 3.29Å; C158-T167 WeakPolarHBondContact CB-O 3.34Å; C158-T167 PolarHBondContact SG-O 2.95Å; C158-T167 VanDerWaalsContact SG-O 3.34Å
168	N	94.7	Very high	85.8	Confident	45 Å²	45	69.7 Å²	69.7	24%	0.241	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117	17.2	-176.7	-65.9	-4.2	0	0	0	112	P142 L144 Y156 G166 E170	P142-N168 VanDerWaalsContact O-CB 3.32Å; P142-N168 WeakPolarHBondContact O-CB 3.38Å; L144-N168 VanDerWaalsContact CB-O 3.3Å; L144-N168 WeakPolarHBondContact CB-O 3.37Å; L144-N168 PolarHBondContact N-O 3.29Å; Y156-N168 WeakPolarHBondContact CE2-OD1 3.39Å; Y156-N168 PolarHBondContact OH-ND2 3.35Å; Y156-N168 PolarHBondContact OH-OD1 3.41Å; G166-N168 PolarHBondContact O-N 2.89Å; N168-E170 VanDerWaalsContact CA-OE2 3.25Å; N168-E170 WeakPolarHBondContact CA-OE2 3.02Å; N168-E170 WeakPolarHBondContact CB-OE2 3.36Å; N168-E170 PolarHBondContact N-OE2 2.81Å; N168-E170 PolarHBondContact O-N 2.94Å
169	C	93.6	Very high	85.2	Confident	0 Å²	0	73.2 Å²	73.2	0%	0	41%	0.413	C	S	.	.	S	Bend	trans	58.6	27.3	-175.4	-48.1	0	0	0	0	114	L144 N145 C160 F164 T165 G166	L144-C169 WeakPolarHBondContact O-CB 3.36Å; N145-C169 PolarHBondContact ND2-O 3.28Å; C160-C169 WeakPolarHBondContact CA-SG 3.14Å; C160-C169 HydrophobicContact CB-CB 3.72Å; C160-C169 WeakPolarHBondContact CB-SG 3.19Å; C160-C169 WeakPolarHBondContact SG-CA 3.26Å; C160-C169 WeakPolarHBondContact SG-CB 3.46Å; C160-C169 CovalentContact SG-SG 2.04Å; C160-C169 PolarHBondContact SG-SG 2.84Å; F164-C169 HydrophobicContact CB-CB 4.28Å; T165-C169 CarbonylContact O-C 3.28Å; T165-C169 VanDerWaalsContact O-C 3.28Å; T165-C169 VanDerWaalsContact O-CA 3.28Å; T165-C169 WeakPolarHBondContact O-CA 3.13Å; G166-C169 PolarHBondContact O-N 2.87Å
170	E	92.6	Very high	84.8	Confident	86 Å²	86	74.2 Å²	74.2	40%	0.402	42%	0.416	S	S	.	.			trans	-80.9	-20.1	-175.6	72.9	-80	-167.1	0	0	113.7	L144 T165 N168	L144-E170 HydrophobicContact CD1-CB 3.85Å; T165-E170 PolarHBondContact O-N 2.98Å; N168-E170 VanDerWaalsContact CA-OE2 3.25Å; N168-E170 WeakPolarHBondContact CA-OE2 3.02Å; N168-E170 WeakPolarHBondContact CB-OE2 3.36Å; N168-E170 PolarHBondContact N-OE2 2.81Å; N168-E170 PolarHBondContact O-N 2.94Å
171	I	83	Confident	84.7	Confident	87 Å²	87	73.4 Å²	73.4	45%	0.446	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	117.7	-173.6	-52.7	177.1	0	0	0	109.2	F164 T165 L173	F164-I171 CarbonylContact C-O 3.33Å; F164-I171 VanDerWaalsContact CA-O 3.28Å; F164-I171 WeakPolarHBondContact CA-O 3.32Å; T165-I171 HydrophobicContact CG2-CB 3.69Å; T165-I171 HydrophobicContact CG2-CD1 4.4Å; T165-I171 HydrophobicContact CG2-CG2 3.78Å; T165-I171 PolarHBondContact N-O 3.3Å; T165-I171 WeakPolarHBondContact O-CA 3.07Å; T165-I171 WeakPolarHBondContact O-CB 3.35Å; T165-I171 PolarHBondContact O-N 3.34Å; I171-L173 PolarHBondContact O-N 3.49Å
172	V	79.2	Confident	84.7	Confident	92 Å²	92	70.3 Å²	70.3	56%	0.558	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.7	122.7	170.6	-177.5	0	0	0	0	109.2	F164 Q174	F164-V172 HydrophobicContact CD1-CG2 4.16Å; F164-V172 HydrophobicContact CE1-CG2 3.77Å; V172-Q174 PolarHBondContact O-N 3.11Å
173	L	73.6	Confident	85.2	Confident	92 Å²	92	67.8 Å²	67.8	48%	0.482	37%	0.368	S	S	.	.			trans	-72.2	98.9	171	-69.2	173	0	0	0	108.9	G163 T165 I171 K175	G163-L173 PolarHBondContact O-N 2.83Å; T165-L173 HydrophobicContact CG2-CD2 3.46Å; T165-L173 VanDerWaalsContact CG2-CD2 3.46Å; T165-L173 HydrophobicContact CG2-CG 3.97Å; I171-L173 PolarHBondContact O-N 3.49Å; L173-K175 PolarHBondContact O-N 2.75Å
174	Q	72.4	Confident	86.1	Confident	126 Å²	126	66.2 Å²	66.2	59%	0.589	35%	0.352	S	S	*	.			trans	-65.1	124.5	169.5	-71.7	-177.8	-16.8	0	0	109.2	V172 R176 F194	V172-Q174 PolarHBondContact O-N 3.11Å; Q174-R176 PolarHBondContact O-N 3.3Å; Q174-F194 HydrophobicContact CB-CB 4.31Å
175	K	77.3	Confident	86.5	Confident	90 Å²	90	65.6 Å²	65.6	39%	0.391	35%	0.349	S	S	.	.			trans	-69.2	115.9	-178.4	-65.3	-174.9	173.6	-176.7	0	109.7	L173 G195 A196	L173-K175 PolarHBondContact O-N 2.75Å; K175-G195 CarbonylContact O-C 3.49Å; K175-A196 HydrophobicContact CB-CB 3.79Å; K175-A196 WeakPolarHBondContact O-CB 3.16Å; K175-A196 PolarHBondContact O-N 2.88Å
176	R	84.5	Confident	87	Confident	109 Å²	109	62.6 Å²	62.6	41%	0.411	33%	0.33	S	S	.	.			trans	-118.2	145.6	174.5	-57.8	166.8	50.3	153.1	-1.3	110	Q174 D178 V179 G182	Q174-R176 PolarHBondContact O-N 3.3Å; R176-D178 VanDerWaalsContact C-N 3.27Å; R176-D178 WeakPolarHBondContact CB-OD1 3.41Å; R176-D178 IonicContact CZ-OD1 3.58Å; R176-D178 IonicContact CZ-OD2 2.69Å; R176-D178 IonicContact NE-OD1 3.66Å; R176-D178 PolarHBondContact NE-OD1 2.81Å; R176-D178 IonicContact NE-OD2 3.28Å; R176-D178 PolarHBondContact NE-OD2 3.41Å; R176-D178 IonicContact NH2-OD1 2.81Å; R176-D178 IonicContact NH2-OD2 3.43Å; R176-D178 PolarHBondContact NH2-OD2 2.04Å; R176-D178 PolarHBondContact O-N 2.84Å; R176-V179 PolarHBondContact O-N 3.3Å; R176-G182 VanDerWaalsContact O-CA 3.26Å; R176-G182 WeakPolarHBondContact O-CA 3.42Å; R176-G182 PolarHBondContact O-N 3.33Å; R176-G182 VanDerWaalsContact O-N 3.16Å
177	C	87.7	Confident	87.3	Confident	26 Å²	26	62 Å²	62	18%	0.176	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-25.3	-177.5	-62	0	0	0	0	113.8	V179 N181 C188 G189 T190	C177-V179 PolarHBondContact O-N 3.23Å; C177-N181 VanDerWaalsContact O-CA 3.32Å; C177-N181 WeakPolarHBondContact O-CA 2.92Å; C177-C188 WeakPolarHBondContact CA-SG 3.04Å; C177-C188 HydrophobicContact CB-CB 3.65Å; C177-C188 WeakPolarHBondContact CB-SG 3.3Å; C177-C188 WeakPolarHBondContact SG-CB 3.4Å; C177-C188 CovalentContact SG-SG 2.03Å; C177-C188 PolarHBondContact SG-SG 3.45Å; C177-G189 VanDerWaalsContact SG-C 3.53Å; C177-T190 HydrophobicContact CB-CG2 4.5Å
178	D	85.4	Confident	87.4	Confident	104 Å²	104	58.2 Å²	58.2	56%	0.556	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-15.8	178	60	-39.2	0	0	0	113.3	R176	R176-D178 VanDerWaalsContact C-N 3.27Å; R176-D178 WeakPolarHBondContact CB-OD1 3.41Å; R176-D178 IonicContact CZ-OD1 3.58Å; R176-D178 IonicContact CZ-OD2 2.69Å; R176-D178 IonicContact NE-OD1 3.66Å; R176-D178 PolarHBondContact NE-OD1 2.81Å; R176-D178 IonicContact NE-OD2 3.28Å; R176-D178 PolarHBondContact NE-OD2 3.41Å; R176-D178 IonicContact NH2-OD1 2.81Å; R176-D178 IonicContact NH2-OD2 3.43Å; R176-D178 PolarHBondContact NH2-OD2 2.04Å; R176-D178 PolarHBondContact O-N 2.84Å
179	V	83.7	Confident	87.2	Confident	94 Å²	94	57.1 Å²	57.1	57%	0.57	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.9	117.5	177.1	-175.5	0	0	0	0	109	R176 C177 N181 G182	R176-V179 PolarHBondContact O-N 3.3Å; C177-V179 PolarHBondContact O-N 3.23Å; V179-N181 PolarHBondContact O-N 3.49Å; V179-G182 PolarHBondContact O-N 2.95Å
180	N	85.3	Confident	86.8	Confident	96 Å²	96	62.4 Å²	62.4	51%	0.513	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	49.1	32.9	179.4	-166.6	33.2	0	0	0	114.5	G182 D183 R503	N180-G182 PolarHBondContact O-N 3.02Å; N180-D183 PolarHBondContact ND2-OD1 3.31Å; N180-D183 WeakPolarHBondContact O-CA 3.32Å; N180-D183 PolarHBondContact O-N 3.37Å; N180-R503 PolarHBondContact OD1-NH2 2.93Å
181	N	90.5	Very high	86.4	Confident	23 Å²	23	63.1 Å²	63.1	12%	0.123	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	54.6	31.6	-175.8	-169.9	43.9	0	0	0	113.1	C177 V179 D183 C184 H186 C188	C177-N181 VanDerWaalsContact O-CA 3.32Å; C177-N181 WeakPolarHBondContact O-CA 2.92Å; V179-N181 PolarHBondContact O-N 3.49Å; N181-D183 PolarHBondContact O-N 3.02Å; N181-C184 PolarHBondContact ND2-O 2.97Å; N181-C184 VanDerWaalsContact O-CB 3.25Å; N181-C184 WeakPolarHBondContact O-CB 3.41Å; N181-C184 PolarHBondContact O-N 3.38Å; N181-C184 PolarHBondContact O-SG 3.3Å; N181-C184 VanDerWaalsContact O-SG 3.37Å; N181-H186 PolarHBondContact ND2-O 2.78Å; N181-C188 VanDerWaalsContact O-CB 3.31Å; N181-C188 WeakPolarHBondContact O-CB 3.27Å; N181-C188 WeakPolarHBondContact OD1-CB 3.23Å
182	G	88.4	Confident	86.1	Confident	2 Å²	2	62.2 Å²	62.2	2%	0.021	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	60	26	-175.7	0	0	0	0	0	114	R176 V179 N180 C184	R176-G182 VanDerWaalsContact O-CA 3.26Å; R176-G182 WeakPolarHBondContact O-CA 3.42Å; R176-G182 PolarHBondContact O-N 3.33Å; R176-G182 VanDerWaalsContact O-N 3.16Å; V179-G182 PolarHBondContact O-N 2.95Å; N180-G182 PolarHBondContact O-N 3.02Å; G182-C184 PolarHBondContact O-N 2.86Å
183	D	89.5	Confident	85.5	Confident	67 Å²	67	63.9 Å²	63.9	36%	0.358	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	65	-0.3	-169.8	-55.4	-42	0	0	0	115.5	N180 N181 K185 V211 R503	N180-D183 PolarHBondContact ND2-OD1 3.31Å; N180-D183 WeakPolarHBondContact O-CA 3.32Å; N180-D183 PolarHBondContact O-N 3.37Å; N181-D183 PolarHBondContact O-N 3.02Å; D183-K185 PolarHBondContact O-N 2.98Å; D183-V211 HydrophobicContact CB-CG1 4.2Å; D183-R503 PolarHBondContact O-NH1 3.42Å
184	C	93.1	Very high	85.1	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	36%	0.357	C	S	.	.			trans	-62.5	133.6	-177.3	-56.7	0	0	0	0	112.2	N181 G182 H186 F187 C188 C198 R503	N181-C184 PolarHBondContact ND2-O 2.97Å; N181-C184 VanDerWaalsContact O-CB 3.25Å; N181-C184 WeakPolarHBondContact O-CB 3.41Å; N181-C184 PolarHBondContact O-N 3.38Å; N181-C184 PolarHBondContact O-SG 3.3Å; N181-C184 VanDerWaalsContact O-SG 3.37Å; G182-C184 PolarHBondContact O-N 2.86Å; C184-H186 VanDerWaalsContact C-N 3.32Å; C184-H186 PolarHBondContact O-N 3.02Å; C184-F187 WeakPolarHBondContact CB-O 3.3Å; C184-C188 HydrophobicContact CB-CB 4.21Å; C184-C198 WeakPolarHBondContact CA-SG 3.49Å; C184-C198 HydrophobicContact CB-CB 3.62Å; C184-C198 WeakPolarHBondContact CB-SG 3.35Å; C184-C198 WeakPolarHBondContact SG-CA 3.25Å; C184-C198 WeakPolarHBondContact SG-CB 3.42Å; C184-C198 CovalentContact SG-SG 2.03Å; C184-C198 PolarHBondContact SG-SG 2.96Å; C184-R503 PolarHBondContact O-NH1 2.7Å; C184-R503 VanDerWaalsContact O-NH1 3.14Å
185	K	95.1	Very high	85.4	Confident	47 Å²	47	59.8 Å²	59.8	20%	0.204	34%	0.343	C	S	.	.	S	Bend	trans	-64.3	-35.4	176.2	-171.8	174.7	179	-177.2	0	112.9	D183 V211 C213 Y502 R503	D183-K185 PolarHBondContact O-N 2.98Å; K185-V211 WeakPolarHBondContact CB-O 2.99Å; K185-V211 PolarHBondContact N-O 3.01Å; K185-C213 HydrophobicContact CB-CB 4.24Å; K185-C213 HydrophobicContact CD-CB 4.07Å; K185-C213 VanDerWaalsContact CD-O 3.31Å; K185-C213 WeakPolarHBondContact CD-O 3.47Å; K185-C213 WeakPolarHBondContact CE-O 3.25Å; K185-C213 HydrophobicContact CG-CB 4.43Å; K185-C213 PolarHBondContact NZ-O 2.72Å; K185-Y502 WeakPolarHBondContact O-CE1 3.37Å; K185-R503 HydrophobicContact CG-CB 4.49Å
186	H	95.9	Very high	85.8	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	33%	0.334	C	S	.	.	S	Bend	trans	-118.8	-90	177.1	-65.8	149.6	0	0	0	111.1	N181 C184 A201 Y204 C213 F423 T505 F507	N181-H186 PolarHBondContact ND2-O 2.78Å; C184-H186 VanDerWaalsContact C-N 3.32Å; C184-H186 PolarHBondContact O-N 3.02Å; H186-A201 PolarHBondContact ND1-N 2.04Å; H186-Y204 AromaticContact CE1-CD1 3.65Å; H186-Y204 AromaticContact CE1-CD2 3.78Å; H186-Y204 AromaticContact CE1-CE1 3.93Å; H186-Y204 AromaticContact CE1-CG 3.58Å; H186-C213 VanDerWaalsContact ND1-CB 3.28Å; H186-C213 WeakPolarHBondContact ND1-CB 3.46Å; H186-C213 PolarHBondContact ND1-SG 2.94Å; H186-C213 VanDerWaalsContact ND1-SG 3.37Å; H186-F423 WeakPolarHBondContact O-CD2 3.38Å; H186-F423 WeakPolarHBondContact O-CE2 3.44Å; H186-T505 PolarHBondContact NE2-OG1 3.37Å; H186-T505 VanDerWaalsContact NE2-OG1 3.1Å; H186-F507 AromaticContact CD2-CZ 3.8Å
187	F	96.2	Very high	86.1	Confident	11 Å²	11	56.5 Å²	56.5	5%	0.048	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	143.8	-171.7	-44.3	-45.4	0	0	0	111.4	C184 C198 F199 A201 I418 P420 F423 F507	C184-F187 WeakPolarHBondContact CB-O 3.3Å; F187-C198 CarbonylContact O-C 3.52Å; F187-C198 VanDerWaalsContact O-CA 3.27Å; F187-C198 WeakPolarHBondContact O-CA 3.41Å; F187-F199 HydrophobicContact CB-CB 4.23Å; F187-F199 HydrophobicContact CD2-CB 4.33Å; F187-F199 PolarHBondContact N-O 3.17Å; F187-F199 PolarHBondContact O-N 2.76Å; F187-A201 HydrophobicContact CE2-CB 4.09Å; F187-A201 HydrophobicContact CZ-CB 3.82Å; F187-I418 WeakPolarHBondContact CZ-O 3.06Å; F187-P420 HydrophobicContact CB-CG 4.3Å; F187-P420 VanDerWaalsContact CD1-CD 3.47Å; F187-P420 HydrophobicContact CD1-CG 4.33Å; F187-P420 HydrophobicContact CD2-CG 4.33Å; F187-P420 HydrophobicContact CG-CG 4.07Å; F187-F423 HydrophobicContact CD1-CB 4.32Å; F187-F423 AromaticContact CD1-CD1 3.81Å; F187-F423 HydrophobicContact CD1-CD1 3.81Å; F187-F423 HydrophobicContact CD1-CD2 4.38Å; F187-F423 HydrophobicContact CD1-CE1 4.22Å; F187-F423 AromaticContact CD1-CG 3.89Å; F187-F423 HydrophobicContact CD1-CG 3.89Å; F187-F423 AromaticContact CE1-CD1 3.85Å; F187-F423 HydrophobicContact CE1-CD1 3.85Å; F187-F423 HydrophobicContact CE1-CE1 4.03Å; F187-F423 HydrophobicContact CE1-CG 4.41Å; F187-F507 HydrophobicContact CE1-CD1 4.28Å; F187-F507 AromaticContact CE1-CE1 3.54Å; F187-F507 HydrophobicContact CE1-CE1 3.54Å; F187-F507 HydrophobicContact CE1-CZ 4.19Å; F187-F507 AromaticContact CZ-CE1 3.83Å; F187-F507 HydrophobicContact CZ-CE1 3.83Å
188	C	93.7	Very high	86.4	Confident	26 Å²	26	55.6 Å²	55.6	18%	0.176	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	134.5	171	-170.7	0	0	0	0	110.4	C177 N181 C184 A196 K197	C177-C188 WeakPolarHBondContact CA-SG 3.04Å; C177-C188 HydrophobicContact CB-CB 3.65Å; C177-C188 WeakPolarHBondContact CB-SG 3.3Å; C177-C188 WeakPolarHBondContact SG-CB 3.4Å; C177-C188 CovalentContact SG-SG 2.03Å; C177-C188 PolarHBondContact SG-SG 3.45Å; N181-C188 VanDerWaalsContact O-CB 3.31Å; N181-C188 WeakPolarHBondContact O-CB 3.27Å; N181-C188 WeakPolarHBondContact OD1-CB 3.23Å; C184-C188 HydrophobicContact CB-CB 4.21Å; C188-A196 VanDerWaalsContact SG-CB 3.53Å; C188-K197 CarbonylContact C-O 3.57Å; C188-K197 WeakPolarHBondContact CA-O 3.32Å
189	G	90.6	Very high	86.9	Confident	22 Å²	22	55.2 Å²	55.2	23%	0.227	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	149.5	167.2	0	0	0	0	0	110.6	C177 A196 K197	C177-G189 VanDerWaalsContact SG-C 3.53Å; G189-A196 CarbonylContact O-C 3.6Å; G189-K197 PolarHBondContact N-O 3.35Å; G189-K197 PolarHBondContact O-N 3.1Å
190	T	86.3	Confident	87.5	Confident	111 Å²	111	52 Å²	52	68%	0.681	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	138.7	-178.5	50.5	0	0	0	0	111.4	C177 G195	C177-T190 HydrophobicContact CB-CG2 4.5Å; T190-G195 CarbonylContact C-O 3.51Å; T190-G195 VanDerWaalsContact CA-O 3.31Å; T190-G195 WeakPolarHBondContact CA-O 3.29Å
191	I	82.8	Confident	88.1	Confident	100 Å²	100	47.6 Å²	47.6	51%	0.513	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	117.7	166.7	-51.4	-179	0	0	0	107.9	G195 K197	I191-G195 PolarHBondContact N-O 3.41Å; I191-G195 VanDerWaalsContact O-CA 3.24Å; I191-G195 WeakPolarHBondContact O-CA 3.32Å; I191-G195 PolarHBondContact O-N 3.14Å; I191-K197 HydrophobicContact CD1-CB 3.71Å; I191-K197 HydrophobicContact CD1-CD 3.88Å; I191-K197 HydrophobicContact CD1-CG 4.08Å; I191-K197 HydrophobicContact CG1-CB 3.74Å; I191-K197 HydrophobicContact CG1-CD 4.39Å
192	G	76.3	Confident	88.2	Confident	69 Å²	69	51 Å²	51	71%	0.711	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	-145.1	-177.1	0	0	0	0	0	112
193	T	68.1	Low	88.5	Confident	126 Å²	126	51.7 Å²	51.7	77%	0.773	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-30.9	-175.7	45.3	0	0	0	0	114.1
194	F	65.4	Low	88.9	Confident	104 Å²	104	49.3 Å²	49.3	46%	0.456	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140	8.7	-173.5	-56.6	-71.1	0	0	0	114.7	Q174	Q174-F194 HydrophobicContact CB-CB 4.31Å
195	G	76.9	Confident	89.1	Confident	29 Å²	29	55.2 Å²	55.2	30%	0.299	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	145.8	177	0	0	0	0	0	112.1	K175 T190 I191	K175-G195 CarbonylContact O-C 3.49Å; T190-G195 CarbonylContact C-O 3.51Å; T190-G195 VanDerWaalsContact CA-O 3.31Å; T190-G195 WeakPolarHBondContact CA-O 3.29Å; I191-G195 PolarHBondContact N-O 3.41Å; I191-G195 VanDerWaalsContact O-CA 3.24Å; I191-G195 WeakPolarHBondContact O-CA 3.32Å; I191-G195 PolarHBondContact O-N 3.14Å
196	A	86.3	Confident	89.1	Confident	24 Å²	24	56.3 Å²	56.3	20%	0.198	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	142	170.1	0	0	0	0	0	110.3	K175 C188 G189	K175-A196 HydrophobicContact CB-CB 3.79Å; K175-A196 WeakPolarHBondContact O-CB 3.16Å; K175-A196 PolarHBondContact O-N 2.88Å; C188-A196 VanDerWaalsContact SG-CB 3.53Å; G189-A196 CarbonylContact O-C 3.6Å
197	K	91.4	Very high	89.1	Confident	105 Å²	105	60.3 Å²	60.3	46%	0.457	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	131.5	171	-164	174.1	178.6	173.1	0	109.4	C188 G189 I191 F199	C188-K197 CarbonylContact C-O 3.57Å; C188-K197 WeakPolarHBondContact CA-O 3.32Å; G189-K197 PolarHBondContact N-O 3.35Å; G189-K197 PolarHBondContact O-N 3.1Å; I191-K197 HydrophobicContact CD1-CB 3.71Å; I191-K197 HydrophobicContact CD1-CD 3.88Å; I191-K197 HydrophobicContact CD1-CG 4.08Å; I191-K197 HydrophobicContact CG1-CB 3.74Å; I191-K197 HydrophobicContact CG1-CD 4.39Å; K197-F199 HydrophobicContact CB-CE2 3.92Å; K197-F199 HydrophobicContact CB-CZ 4.11Å; K197-F199 HydrophobicContact CD-CE1 4.03Å; K197-F199 HydrophobicContact CD-CE2 4.32Å; K197-F199 HydrophobicContact CD-CZ 3.66Å; K197-F199 HydrophobicContact CG-CE1 4.46Å; K197-F199 HydrophobicContact CG-CE2 4.13Å; K197-F199 HydrophobicContact CG-CZ 3.96Å; K197-F199 WeakPolarHBondContact O-CD2 3.23Å; K197-F199 WeakPolarHBondContact O-CE2 3.48Å
198	C	94.3	Very high	88.9	Confident	7 Å²	7	66.2 Å²	66.2	5%	0.047	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	145.7	176.9	-55.1	0	0	0	0	111.8	C184 F187 L206 G210	C184-C198 WeakPolarHBondContact CA-SG 3.49Å; C184-C198 HydrophobicContact CB-CB 3.62Å; C184-C198 WeakPolarHBondContact CB-SG 3.35Å; C184-C198 WeakPolarHBondContact SG-CA 3.25Å; C184-C198 WeakPolarHBondContact SG-CB 3.42Å; C184-C198 CovalentContact SG-SG 2.03Å; C184-C198 PolarHBondContact SG-SG 2.96Å; F187-C198 CarbonylContact O-C 3.52Å; F187-C198 VanDerWaalsContact O-CA 3.27Å; F187-C198 WeakPolarHBondContact O-CA 3.41Å; C198-L206 HydrophobicContact CB-CD1 3.65Å; C198-G210 VanDerWaalsContact CB-O 3.3Å; C198-G210 WeakPolarHBondContact CB-O 3.27Å; C198-G210 PolarHBondContact SG-O 2.99Å
199	F	95.3	Very high	88.7	Confident	96 Å²	96	68.8 Å²	68.8	42%	0.421	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	152.9	173.4	-51.5	-95.3	0	0	0	109	F187 K197	F187-F199 HydrophobicContact CB-CB 4.23Å; F187-F199 HydrophobicContact CD2-CB 4.33Å; F187-F199 PolarHBondContact N-O 3.17Å; F187-F199 PolarHBondContact O-N 2.76Å; K197-F199 HydrophobicContact CB-CE2 3.92Å; K197-F199 HydrophobicContact CB-CZ 4.11Å; K197-F199 HydrophobicContact CD-CE1 4.03Å; K197-F199 HydrophobicContact CD-CE2 4.32Å; K197-F199 HydrophobicContact CD-CZ 3.66Å; K197-F199 HydrophobicContact CG-CE1 4.46Å; K197-F199 HydrophobicContact CG-CE2 4.13Å; K197-F199 HydrophobicContact CG-CZ 3.96Å; K197-F199 WeakPolarHBondContact O-CD2 3.23Å; K197-F199 WeakPolarHBondContact O-CE2 3.48Å
200	C	97.1	Very high	88.6	Confident	27 Å²	27	69.3 Å²	69.3	18%	0.182	41%	0.412	C	S	.	.			trans	-109.2	154.8	-174.5	-58.8	0	0	0	0	112.5	E205 L206 C213	C200-E205 VanDerWaalsContact SG-C 3.56Å; C200-L206 VanDerWaalsContact SG-CA 3.54Å; C200-L206 PolarHBondContact SG-N 2.83Å; C200-C213 WeakPolarHBondContact CA-SG 3.46Å; C200-C213 HydrophobicContact CB-CB 3.78Å; C200-C213 WeakPolarHBondContact CB-SG 3.09Å; C200-C213 VanDerWaalsContact SG-CA 3.6Å; C200-C213 WeakPolarHBondContact SG-CB 3.41Å; C200-C213 CovalentContact SG-SG 2.03Å; C200-C213 PolarHBondContact SG-SG 2.8Å
201	A	96.9	Very high	88.9	Confident	4 Å²	4	65.3 Å²	65.3	3%	0.033	39%	0.388	C	S	.	.			trans	-68	168.1	173.1	0	0	0	0	0	112	H186 F187 G203 Y204 C417 F507	H186-A201 PolarHBondContact ND1-N 2.04Å; F187-A201 HydrophobicContact CE2-CB 4.09Å; F187-A201 HydrophobicContact CZ-CB 3.82Å; A201-G203 PolarHBondContact O-N 3.2Å; A201-Y204 HydrophobicContact CB-CD2 4.07Å; A201-Y204 HydrophobicContact CB-CE2 4.44Å; A201-Y204 PolarHBondContact O-N 3.21Å; A201-Y204 VanDerWaalsContact O-N 3.11Å; A201-C417 HydrophobicContact CB-CB 4.27Å; A201-F507 HydrophobicContact CB-CE1 4.19Å
202	T	93.8	Very high	89.4	Confident	94 Å²	94	62.5 Å²	62.5	58%	0.577	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	128.5	-178.4	-54.1	0	0	0	0	111.1	C221	T202-C221 PolarHBondContact O-N 2.85Å; T202-C221 PolarHBondContact O-SG 2.88Å
203	G	94.2	Very high	90.4	Very high	17 Å²	17	59.2 Å²	59.2	18%	0.175	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	88	11	-175.4	0	0	0	0	0	114.7	A201 A215 T216	A201-G203 PolarHBondContact O-N 3.2Å; G203-A215 WeakPolarHBondContact O-CA 3.25Å; G203-T216 PolarHBondContact O-N 3Å
204	Y	97.4	Very high	91.7	Very high	16 Å²	16	58 Å²	58	6%	0.063	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	148.4	175.2	-61.6	-98.4	0	0	0	111.7	H186 A201 E214 A215 P220 C221 K223	H186-Y204 AromaticContact CE1-CD1 3.65Å; H186-Y204 AromaticContact CE1-CD2 3.78Å; H186-Y204 AromaticContact CE1-CE1 3.93Å; H186-Y204 AromaticContact CE1-CG 3.58Å; A201-Y204 HydrophobicContact CB-CD2 4.07Å; A201-Y204 HydrophobicContact CB-CE2 4.44Å; A201-Y204 PolarHBondContact O-N 3.21Å; A201-Y204 VanDerWaalsContact O-N 3.11Å; Y204-E214 CarbonylContact C-O 3.52Å; Y204-E214 WeakPolarHBondContact CA-O 3.38Å; Y204-A215 HydrophobicContact CD1-CB 4.04Å; Y204-A215 HydrophobicContact CE1-CB 3.9Å; Y204-P220 HydrophobicContact CD2-CB 4.28Å; Y204-P220 HydrophobicContact CE1-CB 4.32Å; Y204-P220 HydrophobicContact CE2-CB 3.68Å; Y204-C221 WeakPolarHBondContact CE2-O 3.23Å; Y204-C221 PolarHBondContact OH-O 3.47Å; Y204-K223 WeakPolarHBondContact OH-CE 3.1Å; Y204-K223 VanDerWaalsContact OH-CG 3.3Å; Y204-K223 WeakPolarHBondContact OH-CG 3.27Å
205	E	96.5	Very high	93.2	Very high	124 Å²	124	54.8 Å²	54.8	58%	0.579	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.4	149.9	173.4	-71.9	-176.5	-176.8	0	0	111.8	C200 C213 E214 T216	C200-E205 VanDerWaalsContact SG-C 3.56Å; E205-C213 VanDerWaalsContact O-CA 3.32Å; E205-C213 WeakPolarHBondContact O-CA 3.39Å; E205-E214 PolarHBondContact N-O 2.85Å; E205-E214 PolarHBondContact O-N 3.45Å; E205-T216 HydrophobicContact CB-CG2 3.65Å; E205-T216 HydrophobicContact CG-CG2 3.51Å
206	L	96.1	Very high	94	Very high	70 Å²	70	56.9 Å²	56.9	37%	0.366	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	127.5	178.7	-171.6	74.6	0	0	0	109.3	C198 C200 S212	C198-L206 HydrophobicContact CB-CD1 3.65Å; C200-L206 VanDerWaalsContact SG-CA 3.54Å; C200-L206 PolarHBondContact SG-N 2.83Å; L206-S212 WeakPolarHBondContact CA-O 3.48Å; L206-S212 WeakPolarHBondContact CD1-O 3.02Å
207	M	95.5	Very high	94.3	Very high	85 Å²	85	59.3 Å²	59.3	42%	0.419	34%	0.341	S	S	.	.			trans	-76.5	168	-179.7	-58.9	-56.5	-73.6	0	0	111.8	D209 G210 S212 E214	M207-D209 PolarHBondContact O-N 3.26Å; M207-D209 VanDerWaalsContact O-N 3.14Å; M207-G210 PolarHBondContact O-N 2.88Å; M207-S212 PolarHBondContact N-O 3.02Å; M207-E214 HydrophobicContact CE-CB 4.42Å; M207-E214 HydrophobicContact CG-CB 4.07Å; M207-E214 HydrophobicContact SD-CB 3.48Å; M207-E214 WeakPolarHBondContact SD-CB 3.41Å; M207-E214 HydrophobicContact SD-CG 4.46Å
208	S	92.8	Very high	94.4	Very high	134 Å²	134	61.7 Å²	61.7	94%	0.937	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-18.2	-179.2	56.1	0	0	0	0	114.5	G210	S208-G210 PolarHBondContact O-N 2.81Å
209	D	88.8	Confident	94.5	Very high	81 Å²	81	63.3 Å²	63.3	43%	0.433	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-9.8	172.6	67.8	2	0	0	0	113.3	M207 V211 S212	M207-D209 PolarHBondContact O-N 3.26Å; M207-D209 VanDerWaalsContact O-N 3.14Å; D209-V211 HydrophobicContact CB-CG2 4.28Å; D209-V211 PolarHBondContact O-N 2.83Å; D209-V211 PolarHBondContact OD1-N 2.85Å; D209-S212 WeakPolarHBondContact OD1-CB 3.31Å; D209-S212 PolarHBondContact OD1-N 2.81Å; D209-S212 WeakPolarHBondContact OD2-CB 3.39Å; D209-S212 PolarHBondContact OD2-OG 2.8Å
210	G	88.9	Confident	94.5	Very high	33 Å²	33	59.1 Å²	59.1	34%	0.34	34%	0.342	S	S	.	.	S	Bend	trans	71.8	6.9	178.9	0	0	0	0	0	114.8	C198 M207 S208	C198-G210 VanDerWaalsContact CB-O 3.3Å; C198-G210 WeakPolarHBondContact CB-O 3.27Å; C198-G210 PolarHBondContact SG-O 2.99Å; M207-G210 PolarHBondContact O-N 2.88Å; S208-G210 PolarHBondContact O-N 2.81Å
211	V	91.2	Very high	94.6	Very high	26 Å²	26	58.1 Å²	58.1	16%	0.158	34%	0.335	C	S	.	.	S	Bend	trans	-133.2	-29.3	-176.8	-64.2	0	0	0	0	113.9	D183 K185 D209	D183-V211 HydrophobicContact CB-CG1 4.2Å; K185-V211 WeakPolarHBondContact CB-O 2.99Å; K185-V211 PolarHBondContact N-O 3.01Å; D209-V211 HydrophobicContact CB-CG2 4.28Å; D209-V211 PolarHBondContact O-N 2.83Å; D209-V211 PolarHBondContact OD1-N 2.85Å
212	S	94.8	Very high	94.6	Very high	42 Å²	42	57.9 Å²	57.9	29%	0.294	33%	0.334	S	S	.	.			trans	-85.3	145.9	-179.1	-65.5	0	0	0	0	111.6	L206 M207 D209	L206-S212 WeakPolarHBondContact CA-O 3.48Å; L206-S212 WeakPolarHBondContact CD1-O 3.02Å; M207-S212 PolarHBondContact N-O 3.02Å; D209-S212 WeakPolarHBondContact OD1-CB 3.31Å; D209-S212 PolarHBondContact OD1-N 2.81Å; D209-S212 WeakPolarHBondContact OD2-CB 3.39Å; D209-S212 PolarHBondContact OD2-OG 2.8Å
213	C	96.8	Very high	94.7	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	122.7	174.3	-66.2	0	0	0	0	109.8	K185 H186 C200 E205	K185-C213 HydrophobicContact CB-CB 4.24Å; K185-C213 HydrophobicContact CD-CB 4.07Å; K185-C213 VanDerWaalsContact CD-O 3.31Å; K185-C213 WeakPolarHBondContact CD-O 3.47Å; K185-C213 WeakPolarHBondContact CE-O 3.25Å; K185-C213 HydrophobicContact CG-CB 4.43Å; K185-C213 PolarHBondContact NZ-O 2.72Å; H186-C213 VanDerWaalsContact ND1-CB 3.28Å; H186-C213 WeakPolarHBondContact ND1-CB 3.46Å; H186-C213 PolarHBondContact ND1-SG 2.94Å; H186-C213 VanDerWaalsContact ND1-SG 3.37Å; C200-C213 WeakPolarHBondContact CA-SG 3.46Å; C200-C213 HydrophobicContact CB-CB 3.78Å; C200-C213 WeakPolarHBondContact CB-SG 3.09Å; C200-C213 VanDerWaalsContact SG-CA 3.6Å; C200-C213 WeakPolarHBondContact SG-CB 3.41Å; C200-C213 CovalentContact SG-SG 2.03Å; C200-C213 PolarHBondContact SG-SG 2.8Å; E205-C213 VanDerWaalsContact O-CA 3.32Å; E205-C213 WeakPolarHBondContact O-CA 3.39Å
214	E	95.8	Very high	94.6	Very high	100 Å²	100	55 Å²	55	47%	0.467	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	144.8	179.1	-163.5	50.7	-120.3	0	0	111.1	Y204 E205 M207	Y204-E214 CarbonylContact C-O 3.52Å; Y204-E214 WeakPolarHBondContact CA-O 3.38Å; E205-E214 PolarHBondContact N-O 2.85Å; E205-E214 PolarHBondContact O-N 3.45Å; M207-E214 HydrophobicContact CE-CB 4.42Å; M207-E214 HydrophobicContact CG-CB 4.07Å; M207-E214 HydrophobicContact SD-CB 3.48Å; M207-E214 WeakPolarHBondContact SD-CB 3.41Å; M207-E214 HydrophobicContact SD-CG 4.46Å
215	A	95.5	Very high	93.9	Very high	36 Å²	36	55 Å²	55	30%	0.298	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	131.1	-177.1	0	0	0	0	0	110.5	G203 Y204 P220	G203-A215 WeakPolarHBondContact O-CA 3.25Å; Y204-A215 HydrophobicContact CD1-CB 4.04Å; Y204-A215 HydrophobicContact CE1-CB 3.9Å; A215-P220 HydrophobicContact CB-CB 3.98Å; A215-P220 HydrophobicContact CB-CG 3.76Å
216	T	94.6	Very high	93	Very high	74 Å²	74	53.7 Å²	53.7	45%	0.454	31%	0.31	S	S	.	.			trans	-112	-4	-179.8	56	0	0	0	0	113.7	G203 E205	G203-T216 PolarHBondContact O-N 3Å; E205-T216 HydrophobicContact CB-CG2 3.65Å; E205-T216 HydrophobicContact CG-CG2 3.51Å
217	V	93.6	Very high	91.4	Very high	75 Å²	75	53.9 Å²	53.9	46%	0.455	32%	0.315	S	S	.	.	S	Bend	trans	-121.4	156.2	175.9	-58.3	0	0	0	0	109.6	F219 P220	V217-F219 VanDerWaalsContact C-N 3.29Å; V217-F219 PolarHBondContact O-N 2.81Å; V217-P220 HydrophobicContact CG2-CB 3.97Å; V217-P220 WeakPolarHBondContact O-CD 3.21Å
218	E	93.4	Very high	89.5	Confident	154 Å²	154	54 Å²	54	72%	0.72	32%	0.32	S	S	*	.	S	Bend	trans	-62.5	-36.1	-178.9	-171.8	-179.6	177.3	0	0	112.8	P220	E218-P220 VanDerWaalsContact C-CD 3.48Å; E218-P220 VanDerWaalsContact O-CD 3.32Å; E218-P220 WeakPolarHBondContact O-CD 3.47Å
219	F	95	Very high	87.1	Confident	42 Å²	42	51.6 Å²	51.6	18%	0.184	31%	0.309	C	S	.	.	S	Bend	trans	-121.6	70	-178	-54.3	-69.3	0	0	0	110.9	V217 F409 S410 R414	V217-F219 VanDerWaalsContact C-N 3.29Å; V217-F219 PolarHBondContact O-N 2.81Å; F219-F409 HydrophobicContact CB-CB 3.77Å; F219-F409 HydrophobicContact CB-CD2 4.01Å; F219-F409 HydrophobicContact CB-CG 4.2Å; F219-F409 HydrophobicContact CD1-CB 4.31Å; F219-F409 HydrophobicContact CD2-CB 3.5Å; F219-F409 HydrophobicContact CE2-CB 4.18Å; F219-F409 HydrophobicContact CG-CB 3.59Å; F219-S410 VanDerWaalsContact CE1-C 3.5Å; F219-R414 HydrophobicContact CD1-CG 4.36Å
220	P	96.6	Very high	84.6	Confident	7 Å²	7	56.8 Å²	56.8	5%	0.045	33%	0.327	C	S	.	.			trans	-70.1	156.4	-179.7	34.5	-38.1	0	0	0	109.9	Y204 A215 V217 E218 K223	Y204-P220 HydrophobicContact CD2-CB 4.28Å; Y204-P220 HydrophobicContact CE1-CB 4.32Å; Y204-P220 HydrophobicContact CE2-CB 3.68Å; A215-P220 HydrophobicContact CB-CB 3.98Å; A215-P220 HydrophobicContact CB-CG 3.76Å; V217-P220 HydrophobicContact CG2-CB 3.97Å; V217-P220 WeakPolarHBondContact O-CD 3.21Å; E218-P220 VanDerWaalsContact C-CD 3.48Å; E218-P220 VanDerWaalsContact O-CD 3.32Å; E218-P220 WeakPolarHBondContact O-CD 3.47Å; P220-K223 HydrophobicContact CG-CB 4.39Å; P220-K223 HydrophobicContact CG-CG 3.76Å
221	C	97.7	Very high	82.2	Confident	6 Å²	6	60.5 Å²	60.5	4%	0.041	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	151.8	179.6	72.1	0	0	0	0	111.7	T202 Y204 K223 P415 C417	T202-C221 PolarHBondContact O-N 2.85Å; T202-C221 PolarHBondContact O-SG 2.88Å; Y204-C221 WeakPolarHBondContact CE2-O 3.23Å; Y204-C221 PolarHBondContact OH-O 3.47Å; C221-K223 PolarHBondContact O-N 2.88Å; C221-P415 CarbonylContact C-O 3.52Å; C221-P415 VanDerWaalsContact CA-O 3.27Å; C221-P415 WeakPolarHBondContact CA-O 3.45Å; C221-P415 HydrophobicContact CB-CB 4.38Å; C221-P415 HydrophobicContact CB-CG 4.15Å; C221-C417 HydrophobicContact CB-CB 4.03Å; C221-C417 WeakPolarHBondContact CB-SG 3.44Å; C221-C417 PolarHBondContact O-SG 3Å; C221-C417 WeakPolarHBondContact SG-CA 3.09Å; C221-C417 WeakPolarHBondContact SG-CB 3.44Å; C221-C417 CovalentContact SG-SG 2.04Å; C221-C417 PolarHBondContact SG-SG 3.31Å
222	G	96.8	Very high	79.4	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	12.6	170	0	0	0	0	0	115.2	P415 W506	G222-P415 PolarHBondContact N-O 3.48Å; G222-W506 VanDerWaalsContact CA-O 3.27Å; G222-W506 WeakPolarHBondContact CA-O 3.09Å; G222-W506 PolarHBondContact O-N 2.93Å
223	K	95.9	Very high	76.5	Confident	39 Å²	39	69.8 Å²	69.8	17%	0.17	40%	0.399	C	S	.	.			trans	-98.6	147.5	169	-65.5	-62.1	-179.1	-176.5	0	111	Y204 P220 C221 P318 R414 D504	Y204-K223 WeakPolarHBondContact OH-CE 3.1Å; Y204-K223 VanDerWaalsContact OH-CG 3.3Å; Y204-K223 WeakPolarHBondContact OH-CG 3.27Å; P220-K223 HydrophobicContact CG-CB 4.39Å; P220-K223 HydrophobicContact CG-CG 3.76Å; C221-K223 PolarHBondContact O-N 2.88Å; K223-P318 WeakPolarHBondContact O-CG 3.2Å; K223-R414 WeakPolarHBondContact O-CD 3.5Å; K223-D504 PolarHBondContact NZ-O 3.04Å
224	T	93.1	Very high	73.6	Confident	11 Å²	11	80 Å²	80	7%	0.067	44%	0.438	C	S	.	.			trans	-99.4	162	178	70.8	0	0	0	0	110.2	L226 T227 E316 W319	T224-L226 PolarHBondContact O-N 2.83Å; T224-L226 PolarHBondContact OG1-N 3.2Å; T224-T227 PolarHBondContact O-N 2.84Å; T224-T227 PolarHBondContact O-OG1 3.39Å; T224-T227 VanDerWaalsContact O-OG1 3.06Å; T224-E316 WeakPolarHBondContact CG2-O 3.49Å; T224-W319 HydrophobicContact CG2-CH2 4.01Å; T224-W319 HydrophobicContact CG2-CZ3 4.2Å
225	G	83.5	Confident	70.6	Confident	17 Å²	17	79.4 Å²	79.4	18%	0.175	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-20.5	173.2	0	0	0	0	0	113.3	G315 A411	G225-G315 PolarHBondContact N-O 3.45Å; G225-A411 WeakPolarHBondContact CA-O 3.35Å
226	L	77.6	Confident	67.8	Low	95 Å²	95	87.3 Å²	87.3	50%	0.497	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-27.2	-179	-57.4	176.5	0	0	0	113	T224 E316	T224-L226 PolarHBondContact O-N 2.83Å; T224-L226 PolarHBondContact OG1-N 3.2Å; L226-E316 HydrophobicContact CD1-CB 3.89Å; L226-E316 HydrophobicContact CD1-CG 3.95Å
227	T	62.4	Low	64.6	Low	75 Å²	75	93.7 Å²	93.7	46%	0.46	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-14.1	-178.6	51.9	0	0	0	0	113.7	T224	T224-T227 PolarHBondContact O-N 2.84Å; T224-T227 PolarHBondContact O-OG1 3.39Å; T224-T227 VanDerWaalsContact O-OG1 3.06Å
228	V	54.4	Low	61.8	Low	87 Å²	87	97.7 Å²	97.7	53%	0.527	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-7.9	178.1	-176.9	0	0	0	0	112.4	K230	V228-K230 PolarHBondContact O-N 2.89Å
229	A	42.9	Very low	59	Low	84 Å²	84	96 Å²	96	69%	0.694	51%	0.512	S	S	*	.			trans	-89.9	20.4	-174.9	0	0	0	0	0	115.7
230	K	35.4	Very low	55.9	Low	190 Å²	190	97.4 Å²	97.4	83%	0.826	54%	0.538	S	S	*	.	S	Bend	trans	-98.4	137.2	167.1	-77.2	-171.5	178.1	-179.7	0	110.3	V228	V228-K230 PolarHBondContact O-N 2.89Å
231	P	38.9	Very low	52.8	Low	111 Å²	111	105.4 Å²	105.4	72%	0.721	58%	0.579	S	S	*	*			trans	-77.6	138.8	-140	29.9	-34.4	0	0	0	112.5	V233	P231-V233 PolarHBondContact O-N 3.23Å
232	V	33.4	Very low	50	Low	132 Å²	132	110.9 Å²	110.9	80%	0.8	62%	0.615	S	S	*	*			trans	-49.8	111	150	176	0	0	0	0	106.6	R234	V232-R234 VanDerWaalsContact C-N 3.28Å; V232-R234 PolarHBondContact O-N 3.15Å
233	V	34.3	Very low	46.9	Very low	130 Å²	130	117.5 Å²	117.5	79%	0.788	65%	0.65	S	S	*	*			trans	-58.5	99.4	166.2	178.9	0	0	0	0	105.6	P231 S235	P231-V233 PolarHBondContact O-N 3.23Å; V233-S235 PolarHBondContact O-N 3.14Å
234	R	35.8	Very low	43.8	Very low	215 Å²	215	123.1 Å²	123.1	81%	0.811	68%	0.676	S	S	*	*			trans	-66.6	92.6	165.7	-82.9	-173.7	176.9	178.3	-0.3	106.1	V232 F236	V232-R234 VanDerWaalsContact C-N 3.28Å; V232-R234 PolarHBondContact O-N 3.15Å; R234-F236 PolarHBondContact O-N 3.46Å; R234-F236 VanDerWaalsContact O-N 3.09Å
235	S	32.3	Very low	41	Very low	87 Å²	87	130.7 Å²	130.7	61%	0.608	72%	0.716	S	S	*	*			trans	-49.8	111.7	158	176.3	0	0	0	0	107.5	V233 Y237	V233-S235 PolarHBondContact O-N 3.14Å; S235-Y237 PolarHBondContact O-N 2.7Å
236	F	35.5	Very low	38.2	Very low	203 Å²	203	137.7 Å²	137.7	89%	0.89	75%	0.749	S	S	*	*			trans	-71.9	79.5	169	-72.4	-86.3	0	0	0	108.2	R234	R234-F236 PolarHBondContact O-N 3.46Å; R234-F236 VanDerWaalsContact O-N 3.09Å
237	Y	29.1	Very low	35.9	Very low	208 Å²	208	137.4 Å²	137.4	82%	0.816	76%	0.761	S	S	*	*			trans	-100.9	108	159.2	-109	-90.9	0	0	0	107.6	S235 P239	S235-Y237 PolarHBondContact O-N 2.7Å; Y237-P239 WeakPolarHBondContact O-CD 3.42Å
238	N	33	Very low	34.2	Very low	158 Å²	158	139.8 Å²	139.8	85%	0.845	78%	0.775	S	S	*	*			trans	-94.4	116.3	-179.2	-157.9	29.7	0	0	0	108.6
239	P	36.1	Very low	32.9	Very low	120 Å²	120	140.8 Å²	140.8	78%	0.779	79%	0.786	S	S	*	*			trans	-98.9	107.3	166.1	8.8	12	0	0	0	109.8	Y237	Y237-P239 WeakPolarHBondContact O-CD 3.42Å
240	G	29.4	Very low	32.8	Very low	71 Å²	71	142.3 Å²	142.3	73%	0.732	79%	0.789	S	S	*	*			trans	30.3	112.7	151	0	0	0	0	0	120.5
241	L	31.9	Very low	32.4	Very low	174 Å²	174	140.1 Å²	140.1	91%	0.911	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-87.9	140	151.8	-146.8	83.8	0	0	0	108.7
242	P	37.9	Very low	31.8	Very low	121 Å²	121	142.4 Å²	142.4	79%	0.786	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-84.4	153.6	173.2	31.6	-28.4	0	0	0	112.6
243	D	31.3	Very low	31.5	Very low	140 Å²	140	143.1 Å²	143.1	75%	0.749	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-70.1	159.5	-168.3	-101.9	-38.3	0	0	0	117.6
244	H	31.8	Very low	31	Very low	156 Å²	156	143.1 Å²	143.1	72%	0.722	80%	0.803	S	S	*	*			trans	72.6	117.6	150	-67.8	-55.7	0	0	0	120.5
245	L	33.5	Very low	31.6	Very low	171 Å²	171	138.1 Å²	138.1	90%	0.895	80%	0.799	S	S	*	*				-176.7	138.1	92.6	-89.2	169.1	0	0	0	112.5
246	N	26.4	Very low	31.3	Very low	164 Å²	164	140 Å²	140	88%	0.877	81%	0.807	S	S	*	*			trans	-66.5	149.1	175	-78	-30.8	0	0	0	113.5
247	A	28.4	Very low	31	Very low	89 Å²	89	135 Å²	135	74%	0.736	80%	0.802	S	S	*	*			trans	-166.7	106.9	137.5	0	0	0	0	0	112.8
248	T	25.6	Very low	31	Very low	124 Å²	124	129.8 Å²	129.8	76%	0.761	80%	0.802	S	S	*	*			trans	25.4	112.8	138.4	43.1	0	0	0	0	119.9
249	S	28.8	Very low	30.8	Very low	109 Å²	109	126.5 Å²	126.5	76%	0.762	80%	0.797	S	S	*	*				96.5	166.3	86.2	-61.7	0	0	0	0	112.5
250	P	39.7	Very low	30.5	Very low	115 Å²	115	125.7 Å²	125.7	75%	0.747	80%	0.801	S	S	*	*				-129.4	166.9	-101.1	25.3	-0.7	0	0	0	112.8
251	T	27.1	Very low	30.4	Very low	145 Å²	145	127.1 Å²	127.1	89%	0.89	80%	0.8	S	S	*	*			trans	-151.7	116.6	157.5	36.1	0	0	0	0	112.6
252	N	26.1	Very low	30.1	Very low	158 Å²	158	124.2 Å²	124.2	85%	0.845	79%	0.789	S	S	*	*			trans	-66.4	139.3	161.4	-76.2	-24.8	0	0	0	110.8
253	T	26.6	Very low	29.5	Very low	147 Å²	147	124.7 Å²	124.7	90%	0.902	79%	0.79	S	S	*	*			trans	-168.8	114.2	135.6	17.6	0	0	0	0	111.3
254	T	23.7	Very low	29.5	Very low	131 Å²	131	125.7 Å²	125.7	80%	0.804	79%	0.79	S	S	*	*			trans	-103.8	178.3	155.1	3.2	0	0	0	0	107.6
255	P	48.5	Very low	30.1	Very low	110 Å²	110	123.2 Å²	123.2	71%	0.714	79%	0.788	S	S	*	*			cis	-137.4	-170.7	-17	31	-8.2	0	0	0	113
256	T	26.1	Very low	29.8	Very low	127 Å²	127	121.2 Å²	121.2	78%	0.779	78%	0.778	S	S	*	*			trans	145.3	97.9	137.3	-48.7	0	0	0	0	110.4
257	A	30.5	Very low	30	Very low	97 Å²	97	120 Å²	120	80%	0.802	77%	0.771	S	S	*	*				69.1	138.2	97.3	0	0	0	0	0	114.5
258	A	28.8	Very low	30.1	Very low	98 Å²	98	122.4 Å²	122.4	81%	0.81	77%	0.771	S	S	*	*			cis	-154.1	173.1	28.4	0	0	0	0	0	109.8
259	A	28.4	Very low	30.2	Very low	90 Å²	90	120.5 Å²	120.5	74%	0.744	76%	0.763	S	S	*	*			cis	-166.6	151.9	31.6	0	0	0	0	0	113.2
260	A	30	Very low	30.2	Very low	103 Å²	103	125.6 Å²	125.6	85%	0.851	77%	0.767	S	S	*	*			trans	57	138.3	140	0	0	0	0	0	120.2
261	S	26.3	Very low	29.5	Very low	101 Å²	101	127.7 Å²	127.7	71%	0.706	77%	0.772	S	S	*	*			cis	-166	120.4	5.7	-177.8	0	0	0	0	105.2
262	T	26.3	Very low	29.8	Very low	113 Å²	113	130.1 Å²	130.1	69%	0.693	77%	0.766	S	S	*	*				36.5	127.1	92.8	50.1	0	0	0	0	113.7
263	T	26.1	Very low	29.9	Very low	131 Å²	131	129.9 Å²	129.9	80%	0.804	77%	0.765	S	S	*	*			cis	-173.1	137.6	33.7	1.9	0	0	0	0	110.8
264	E	31.6	Very low	30.1	Very low	161 Å²	161	128.5 Å²	128.5	75%	0.752	75%	0.752	S	S	*	*			trans	-52.9	170.6	144.2	-77.7	-94.1	163.6	0	0	110.6
265	P	43.5	Very low	30.2	Very low	103 Å²	103	130.6 Å²	130.6	67%	0.669	75%	0.75	S	S	*	*			cis	-160.7	177.9	40.6	43.5	-19.6	0	0	0	120.2
266	D	27.3	Very low	29.2	Very low	130 Å²	130	127.9 Å²	127.9	70%	0.695	74%	0.742	S	S	*	*			trans	69.3	127.5	134.7	-72.4	-29.2	0	0	0	124.9
267	L	30.5	Very low	29.4	Very low	138 Å²	138	130.7 Å²	130.7	72%	0.723	75%	0.746	S	S	*	*			trans	32.1	138.1	132.9	-90.1	70.8	0	0	0	118.9
268	D	29.6	Very low	29.3	Very low	140 Å²	140	133.2 Å²	133.2	75%	0.749	75%	0.746	S	S	*	*			cis	-179.1	170.7	39.9	-124.1	-17.4	0	0	0	110.2
269	S	29.3	Very low	29.4	Very low	83 Å²	83	137.4 Å²	137.4	58%	0.58	75%	0.749	S	S	*	*			trans	91.6	118.9	139.6	131.4	0	0	0	0	123.1
270	Y	28.1	Very low	29.3	Very low	217 Å²	217	138.5 Å²	138.5	85%	0.851	75%	0.752	S	S	*	*			trans	54.3	150.9	139.4	-44.6	-66.8	0	0	0	119.8
271	D	25.5	Very low	29.6	Very low	158 Å²	158	141.4 Å²	141.4	85%	0.845	75%	0.752	S	S	*	*			cis	-164.9	170	20.5	-156.4	-4.4	0	0	0	109.2
272	Y	32.2	Very low	29.8	Very low	196 Å²	196	141.2 Å²	141.2	77%	0.769	75%	0.75	S	S	*	*			trans	-102.6	145.8	-176.5	-152.6	-92.2	0	0	0	112.2
273	D	29.1	Very low	29.8	Very low	154 Å²	154	142.8 Å²	142.8	82%	0.824	76%	0.755	S	S	*	*			trans	-179.9	113.8	146.2	-93.1	-24.6	0	0	0	108.9
274	D	30.1	Very low	30	Very low	117 Å²	117	141.8 Å²	141.8	63%	0.626	75%	0.748	S	S	*	*				71.6	113.5	91.1	-168.2	42.3	0	0	0	115.7
275	F	26.4	Very low	30.1	Very low	175 Å²	175	142.5 Å²	142.5	77%	0.768	76%	0.756	S	S	*	*				-172.5	121.2	123.9	-132.7	-105.4	0	0	0	110.8
276	G	28	Very low	29.4	Very low	53 Å²	53	142.8 Å²	142.8	55%	0.546	76%	0.761	S	S	.	*			trans	-79.8	165.8	169.1	0	0	0	0	0	113.5
277	Q	29.7	Very low	29.5	Very low	186 Å²	186	140.4 Å²	140.4	87%	0.869	77%	0.767	S	S	*	*			trans	-169.6	140.6	134.8	-105.3	173.7	22.5	0	0	113
278	N	27.9	Very low	29.4	Very low	150 Å²	150	143.2 Å²	143.2	80%	0.802	78%	0.777	S	S	*	*			trans	-66.4	154.4	175.6	-67.9	-41.9	0	0	0	113.3
279	Q	31.2	Very low	29.4	Very low	187 Å²	187	142.5 Å²	142.5	87%	0.874	78%	0.782	S	S	*	*				177.6	109.7	129.7	-95.9	165	35.7	0	0	108.8
280	S	26.5	Very low	29.5	Very low	113 Å²	113	146 Å²	146	79%	0.79	80%	0.795	S	S	*	*				76.1	116.4	92.9	-170.7	0	0	0	0	114.9
281	L	37.3	Very low	29.5	Very low	163 Å²	163	144.6 Å²	144.6	85%	0.853	80%	0.795	S	S	*	*			trans	-41.6	133.4	158.8	-96.2	67.1	0	0	0	112.6
282	S	29.5	Very low	29.9	Very low	97 Å²	97	142.1 Å²	142.1	68%	0.678	79%	0.791	S	S	*	*				150.3	116.8	123	60.5	0	0	0	0	107.6
283	D	27.3	Very low	29.8	Very low	146 Å²	146	142 Å²	142	78%	0.781	80%	0.797	S	S	*	*				173.3	129.3	121.7	-90.8	-23.1	0	0	0	113.7
284	V	29	Very low	30	Very low	110 Å²	110	142.2 Å²	142.2	67%	0.667	80%	0.798	S	S	*	*			trans	81.9	95.7	136.3	-178.2	0	0	0	0	117.4	S286	V284-S286 VanDerWaalsContact CG1-OG 3.22Å; V284-S286 WeakPolarHBondContact CG1-OG 3.48Å; V284-S286 PolarHBondContact O-N 2.59Å
285	L	34.2	Very low	29.9	Very low	176 Å²	176	143.5 Å²	143.5	92%	0.921	81%	0.81	S	S	*	*			trans	-47.8	118.5	140.2	-71.5	161.4	0	0	0	110.5
286	S	29.5	Very low	30.1	Very low	110 Å²	110	140.5 Å²	140.5	77%	0.769	81%	0.811	S	S	*	*			trans	-160.7	134.9	147.1	-32.1	0	0	0	0	110.9	V284	V284-S286 VanDerWaalsContact CG1-OG 3.22Å; V284-S286 WeakPolarHBondContact CG1-OG 3.48Å; V284-S286 PolarHBondContact O-N 2.59Å
287	G	27.9	Very low	30.2	Very low	80 Å²	80	142.7 Å²	142.7	83%	0.825	82%	0.824	S	S	*	*			trans	119.5	86.6	147.4	0	0	0	0	0	116.4
288	E	29.6	Very low	30.1	Very low	197 Å²	197	142.8 Å²	142.8	92%	0.921	83%	0.825	S	S	*	*			trans	-59.1	138.4	153.3	-66	169.7	123.8	0	0	110.6
289	S	29.9	Very low	30	Very low	124 Å²	124	140.5 Å²	140.5	87%	0.867	82%	0.82	S	S	*	*				-173.8	143.3	128.5	56.1	0	0	0	0	112.6
290	N	29.9	Very low	30	Very low	157 Å²	157	140.4 Å²	140.4	84%	0.84	82%	0.82	S	S	*	*			trans	-63.6	137.4	179.1	-65.9	-46.7	0	0	0	113.5
291	H	29.2	Very low	30.4	Very low	187 Å²	187	139.9 Å²	139.9	87%	0.866	81%	0.812	S	S	*	*				-166	127.3	123.9	-121.8	-58.9	0	0	0	112.4
292	S	33.3	Very low	30.2	Very low	107 Å²	107	138.1 Å²	138.1	75%	0.748	81%	0.81	S	S	*	*			trans	-68.2	132.3	166.9	-46.6	0	0	0	0	111
293	E	30.1	Very low	30.2	Very low	193 Å²	193	142 Å²	142	90%	0.902	82%	0.815	S	S	*	*				-177.9	124.3	124.4	-101.9	178	179	0	0	112.5
294	N	32.7	Very low	30.4	Very low	158 Å²	158	142.8 Å²	142.8	85%	0.845	81%	0.812	S	S	*	*			trans	-2.7	128.6	159.6	-90.7	-17.8	0	0	0	119.8
295	T	27.9	Very low	30.9	Very low	144 Å²	144	143.3 Å²	143.3	88%	0.883	80%	0.802	S	S	*	*				-162.5	140.5	121.3	12.1	0	0	0	0	111.9
296	S	31.9	Very low	31.6	Very low	112 Å²	112	135.1 Å²	135.1	78%	0.783	76%	0.759	S	S	*	*			trans	-58.8	135.8	-174.4	49.7	0	0	0	0	116.6
297	A	30.1	Very low	32.7	Very low	99 Å²	99	131.2 Å²	131.2	82%	0.818	73%	0.73	S	S	*	*			trans	-167.3	73	139.7	0	0	0	0	0	109.5	S299	A297-S299 PolarHBondContact O-N 3.28Å; A297-S299 VanDerWaalsContact O-N 3.12Å
298	E	26.3	Very low	34.4	Very low	189 Å²	189	128.6 Å²	128.6	88%	0.883	70%	0.703	S	S	*	*			trans	-73.2	103.9	174.5	-151.9	171.6	-155.1	0	0	108.7	Q300	E298-Q300 PolarHBondContact O-N 2.79Å
299	S	26.8	Very low	36.5	Very low	101 Å²	101	119.5 Å²	119.5	71%	0.706	66%	0.662	S	S	*	*			trans	-62.2	103.3	169.4	171.4	0	0	0	0	108.5	A297 T301	A297-S299 PolarHBondContact O-N 3.28Å; A297-S299 VanDerWaalsContact O-N 3.12Å; S299-T301 PolarHBondContact O-N 2.74Å
300	Q	32.1	Very low	39.1	Very low	185 Å²	185	119.4 Å²	119.4	86%	0.864	64%	0.643	S	S	*	*			trans	-57.6	99.5	173.3	-68.7	-170.7	-3.7	0	0	110	E298	E298-Q300 PolarHBondContact O-N 2.79Å
301	T	33	Very low	42	Very low	102 Å²	102	115.1 Å²	115.1	63%	0.626	63%	0.625	S	S	*	*			trans	-82.7	131.3	164.5	52.1	0	0	0	0	108	S299 F303	S299-T301 PolarHBondContact O-N 2.74Å; T301-F303 PolarHBondContact O-N 3.14Å; T301-F303 VanDerWaalsContact O-N 3.17Å
302	P	33.7	Very low	45	Very low	126 Å²	126	106.4 Å²	106.4	82%	0.818	59%	0.585	S	S	*	*			trans	-67.2	119.4	-176	-2.3	12.3	0	0	0	110.1	K304	P302-K304 PolarHBondContact O-N 3.31Å
303	F	29.9	Very low	47.8	Very low	179 Å²	179	103.3 Å²	103.3	79%	0.785	57%	0.566	S	S	*	*			trans	-55.9	112.6	-176.3	-62.6	-83.5	0	0	0	113	T301	T301-F303 PolarHBondContact O-N 3.14Å; T301-F303 VanDerWaalsContact O-N 3.17Å
304	K	30.8	Very low	50.6	Low	163 Å²	163	97.4 Å²	97.4	71%	0.709	54%	0.544	S	S	*	.			trans	-79.3	133	175.7	-125.5	169.3	179.6	173.3	0	110.6	P302	P302-K304 PolarHBondContact O-N 3.31Å
305	R	39.3	Very low	53.3	Low	121 Å²	121	90.4 Å²	90.4	46%	0.457	51%	0.509	S	S	.	.	S	Bend	trans	-122.4	145.6	-169.3	-83.2	-173.7	-124.3	-172.7	0.8	112.1	G309 T442	R305-G309 CarbonylContact O-C 3.58Å; R305-T442 HydrophobicContact CB-CG2 3.54Å; R305-T442 HydrophobicContact CG-CG2 3.69Å
306	I	50.7	Low	56.5	Low	4 Å²	4	84.9 Å²	84.9	2%	0.021	47%	0.473	C	S	.	.	S	Bend	trans	55.7	134.6	-133.4	-58.1	-62.6	0	0	0	108.2	G308 G309 Q453 V455 D488	I306-G308 PolarHBondContact O-N 3.16Å; I306-G309 PolarHBondContact O-N 3.42Å; I306-Q453 HydrophobicContact CB-CB 4.37Å; I306-Q453 HydrophobicContact CD1-CB 4.14Å; I306-Q453 HydrophobicContact CG1-CB 3.26Å; I306-Q453 HydrophobicContact CG1-CG 3.8Å; I306-V455 HydrophobicContact CG2-CB 3.83Å; I306-V455 HydrophobicContact CG2-CG1 3.99Å; I306-V455 HydrophobicContact CG2-CG2 4.39Å; I306-D488 WeakPolarHBondContact CG2-O 3.48Å
307	V	52.4	Low	59.6	Low	28 Å²	28	80.2 Å²	80.2	17%	0.17	44%	0.44	C	S	.	.	B	Isolated β-bridge	trans	-58	115	-175.4	-143.4	0	0	0	0	105.8	G309 A486 K487 A519	V307-G309 VanDerWaalsContact C-N 3.29Å; V307-G309 PolarHBondContact O-N 3.06Å; V307-A486 CarbonylContact C-O 3.54Å; V307-A486 WeakPolarHBondContact CA-O 3.44Å; V307-A486 HydrophobicContact CB-CB 4.42Å; V307-A486 WeakPolarHBondContact CB-O 3.46Å; V307-A486 VanDerWaalsContact CG1-C 3.48Å; V307-A486 HydrophobicContact CG1-CB 3.36Å; V307-A486 WeakPolarHBondContact CG1-O 3.38Å; V307-K487 WeakPolarHBondContact O-CA 3.23Å; V307-K487 WeakPolarHBondContact O-CG 3.49Å; V307-A519 HydrophobicContact CB-CB 3.56Å; V307-A519 HydrophobicContact CG1-CB 3.76Å; V307-A519 HydrophobicContact CG2-CB 3.5Å; V307-A519 VanDerWaalsContact CG2-CB 3.5Å
308	G	62.1	Low	62.7	Low	25 Å²	25	75.7 Å²	75.7	26%	0.258	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	57	15	-170.5	0	0	0	0	0	119.7	I306 A486 K487	I306-G308 PolarHBondContact O-N 3.16Å; G308-A486 PolarHBondContact N-O 3.01Å; G308-K487 WeakPolarHBondContact O-CE 3.26Å
309	G	73.6	Confident	66.2	Low	6 Å²	6	66.9 Å²	66.9	6%	0.062	36%	0.36	C	S	.	.			trans	-85.6	-176.9	178.8	0	0	0	0	0	115.2	R305 I306 V307 K454	R305-G309 CarbonylContact O-C 3.58Å; I306-G309 PolarHBondContact O-N 3.42Å; V307-G309 VanDerWaalsContact C-N 3.29Å; V307-G309 PolarHBondContact O-N 3.06Å; G309-K454 WeakPolarHBondContact CA-O 3.18Å
310	R	85.8	Confident	69.6	Low	122 Å²	122	62.3 Å²	62.3	46%	0.46	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	156.2	176.5	67.4	176.7	175.1	99.6	-13.8	112.3	E316 Q453 K454	R310-E316 IonicContact CZ-OE1 3.45Å; R310-E316 IonicContact NH1-OE1 2.84Å; R310-E316 PolarHBondContact NH1-OE1 2.52Å; R310-E316 IonicContact NH1-OE2 2.72Å; R310-E316 IonicContact NH2-OE1 3.76Å; R310-Q453 PolarHBondContact O-OE1 3.25Å; R310-K454 HydrophobicContact CG-CG 4.17Å; R310-K454 PolarHBondContact N-O 2.87Å; R310-K454 PolarHBondContact O-N 2.85Å
311	S	89.9	Confident	72.7	Confident	66 Å²	66	53.5 Å²	53.5	46%	0.462	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	141.9	176.8	-55.6	0	0	0	0	111.3	Q453	S311-Q453 PolarHBondContact OG-NE2 3.42Å; S311-Q453 PolarHBondContact OG-OE1 2.65Å
312	V	92.6	Very high	75.7	Confident	5 Å²	5	48.7 Å²	48.7	3%	0.03	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-83.2	139.5	-179.8	177.9	0	0	0	0	108.9	E316 I317 H364 L452 Q453 K454	V312-E316 WeakPolarHBondContact CA-OE2 3.43Å; V312-E316 HydrophobicContact CG1-CB 3.81Å; V312-E316 HydrophobicContact CG1-CG 4.37Å; V312-I317 HydrophobicContact CG1-CB 4.21Å; V312-I317 HydrophobicContact CG1-CD1 4.13Å; V312-I317 HydrophobicContact CG1-CG1 3.86Å; V312-I317 HydrophobicContact CG2-CD1 3.92Å; V312-H364 PolarHBondContact O-CE1 3.36Å; V312-L452 HydrophobicContact CB-CB 4.28Å; V312-L452 HydrophobicContact CB-CD2 4.14Å; V312-L452 HydrophobicContact CB-CG 3.99Å; V312-L452 WeakPolarHBondContact CB-O 3.41Å; V312-L452 HydrophobicContact CG1-CD2 3.95Å; V312-L452 HydrophobicContact CG1-CG 4.35Å; V312-L452 HydrophobicContact CG2-CD2 4.33Å; V312-L452 HydrophobicContact CG2-CG 3.92Å; V312-L452 PolarHBondContact N-O 3.09Å; V312-Q453 VanDerWaalsContact CG2-C 3.48Å; V312-K454 HydrophobicContact CG2-CB 3.65Å; V312-K454 HydrophobicContact CG2-CD 3.95Å; V312-K454 HydrophobicContact CG2-CG 3.65Å
313	A	92.2	Very high	78.6	Confident	41 Å²	41	42.7 Å²	42.7	34%	0.339	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-76.5	146.2	170.5	0	0	0	0	0	110.4	G315 E316	A313-G315 PolarHBondContact O-N 3.17Å; A313-E316 HydrophobicContact CB-CB 4.18Å; A313-E316 PolarHBondContact N-OE2 3.35Å; A313-E316 WeakPolarHBondContact O-CB 3.41Å; A313-E316 PolarHBondContact O-N 3.29Å
314	P	89.2	Confident	81.7	Confident	69 Å²	69	34.4 Å²	34.4	45%	0.448	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51	125.6	174.9	-28	34.8	0	0	0	112.1	E316	P314-E316 VanDerWaalsContact C-N 3.3Å; P314-E316 PolarHBondContact O-N 2.87Å
315	G	88.4	Confident	84.6	Confident	11 Å²	11	27.5 Å²	27.5	11%	0.113	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	1.7	-177.9	0	0	0	0	0	116.2	G225 A313 P318	G225-G315 PolarHBondContact N-O 3.45Å; A313-G315 PolarHBondContact O-N 3.17Å; G315-P318 WeakPolarHBondContact O-CD 3.32Å
316	E	94.6	Very high	87	Confident	28 Å²	28	25.5 Å²	25.5	13%	0.131	15%	0.15	C	C	.	.	S	Bend	trans	-68.8	-34.3	173.8	-177.7	176.6	-159.9	0	0	111.9	T224 L226 R310 V312 A313 P314 K454	T224-E316 WeakPolarHBondContact CG2-O 3.49Å; L226-E316 HydrophobicContact CD1-CB 3.89Å; L226-E316 HydrophobicContact CD1-CG 3.95Å; R310-E316 IonicContact CZ-OE1 3.45Å; R310-E316 IonicContact NH1-OE1 2.84Å; R310-E316 PolarHBondContact NH1-OE1 2.52Å; R310-E316 IonicContact NH1-OE2 2.72Å; R310-E316 IonicContact NH2-OE1 3.76Å; V312-E316 WeakPolarHBondContact CA-OE2 3.43Å; V312-E316 HydrophobicContact CG1-CB 3.81Å; V312-E316 HydrophobicContact CG1-CG 4.37Å; A313-E316 HydrophobicContact CB-CB 4.18Å; A313-E316 PolarHBondContact N-OE2 3.35Å; A313-E316 WeakPolarHBondContact O-CB 3.41Å; A313-E316 PolarHBondContact O-N 3.29Å; P314-E316 VanDerWaalsContact C-N 3.3Å; P314-E316 PolarHBondContact O-N 2.87Å; E316-K454 VanDerWaalsContact OE1-CE 3.29Å; E316-K454 WeakPolarHBondContact OE1-CE 3.47Å; E316-K454 IonicContact OE1-NZ 3.64Å; E316-K454 PolarHBondContact OE1-NZ 3.21Å; E316-K454 IonicContact OE2-NZ 3.58Å
317	I	96.9	Very high	88.7	Confident	15 Å²	15	32 Å²	32	8%	0.077	19%	0.192	C	C	.	.	S	Bend	trans	-126.1	73	176.6	-54.2	-174.8	0	0	0	109.4	V312 W319 Q320 T435 S437 K454	V312-I317 HydrophobicContact CG1-CB 4.21Å; V312-I317 HydrophobicContact CG1-CD1 4.13Å; V312-I317 HydrophobicContact CG1-CG1 3.86Å; V312-I317 HydrophobicContact CG2-CD1 3.92Å; I317-W319 HydrophobicContact CG2-CD2 4.32Å; I317-W319 HydrophobicContact CG2-CG 4.41Å; I317-W319 HydrophobicContact CG2-CZ2 3.99Å; I317-W319 PolarHBondContact O-N 2.89Å; I317-Q320 HydrophobicContact CG2-CB 4.02Å; I317-Q320 WeakPolarHBondContact O-CB 3.3Å; I317-Q320 PolarHBondContact O-N 3.13Å; I317-T435 HydrophobicContact CD1-CG2 4.22Å; I317-S437 VanDerWaalsContact CD1-CB 3.41Å; I317-K454 HydrophobicContact CD1-CB 4.07Å; I317-K454 HydrophobicContact CD1-CD 3.99Å
318	P	97.2	Very high	90.4	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.019	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-8.4	-169.3	32.8	-38.8	0	0	0	114.5	K223 G315 T412 V413 R414	K223-P318 WeakPolarHBondContact O-CG 3.2Å; G315-P318 WeakPolarHBondContact O-CD 3.32Å; P318-T412 VanDerWaalsContact CA-O 3.31Å; P318-T412 WeakPolarHBondContact CA-O 3.06Å; P318-T412 VanDerWaalsContact CB-C 3.5Å; P318-T412 WeakPolarHBondContact CB-O 2.98Å; P318-V413 WeakPolarHBondContact O-CA 3.35Å; P318-R414 CarbonylContact C-O 3.53Å; P318-R414 HydrophobicContact CB-CB 3.9Å; P318-R414 HydrophobicContact CB-CG 4.02Å; P318-R414 HydrophobicContact CG-CB 3.8Å; P318-R414 HydrophobicContact CG-CG 4.13Å; P318-R414 PolarHBondContact O-N 2.95Å
319	W	98.4	Very high	91.5	Very high	4 Å²	4	35.5 Å²	35.5	2%	0.015	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-7.9	176.4	50	78.3	0	0	0	113.6	T224 I317 V321 S336 I337 R414 I416 W506	T224-W319 HydrophobicContact CG2-CH2 4.01Å; T224-W319 HydrophobicContact CG2-CZ3 4.2Å; I317-W319 HydrophobicContact CG2-CD2 4.32Å; I317-W319 HydrophobicContact CG2-CG 4.41Å; I317-W319 HydrophobicContact CG2-CZ2 3.99Å; I317-W319 PolarHBondContact O-N 2.89Å; W319-V321 PolarHBondContact O-N 2.99Å; W319-S336 CarbonylContact O-C 3.22Å; W319-S336 VanDerWaalsContact O-CA 3.29Å; W319-S336 WeakPolarHBondContact O-CA 3.05Å; W319-I337 PolarHBondContact O-N 3.41Å; W319-R414 WeakPolarHBondContact CA-O 3.48Å; W319-R414 VanDerWaalsContact CB-O 3.23Å; W319-R414 WeakPolarHBondContact CB-O 3.49Å; W319-R414 PolarHBondContact N-O 3.43Å; W319-I416 HydrophobicContact CB-CB 3.8Å; W319-I416 HydrophobicContact CB-CG2 4.34Å; W319-I416 HydrophobicContact CD2-CB 3.84Å; W319-I416 HydrophobicContact CD2-CD1 4.07Å; W319-I416 HydrophobicContact CD2-CG1 4.1Å; W319-I416 HydrophobicContact CE3-CB 4.23Å; W319-I416 HydrophobicContact CE3-CG1 4.45Å; W319-I416 HydrophobicContact CG-CB 3.62Å; W319-I416 HydrophobicContact CG-CD1 4.2Å; W319-I416 HydrophobicContact CG-CG1 4.29Å; W319-I416 HydrophobicContact CG-CG2 4.4Å; W319-I416 HydrophobicContact CZ2-CD1 4.34Å; W319-W506 HydrophobicContact CH2-CB 3.39Å; W319-W506 AromaticContact CH2-CD1 3.67Å; W319-W506 AromaticContact CH2-CD2 3.74Å; W319-W506 HydrophobicContact CH2-CD2 3.74Å; W319-W506 HydrophobicContact CH2-CE3 4.36Å; W319-W506 AromaticContact CH2-CG 3.3Å; W319-W506 HydrophobicContact CH2-CG 3.3Å; W319-W506 HydrophobicContact CZ2-CB 3.95Å; W319-W506 HydrophobicContact CZ2-CD2 4.04Å; W319-W506 HydrophobicContact CZ2-CE3 4.19Å; W319-W506 AromaticContact CZ2-CG 3.97Å; W319-W506 HydrophobicContact CZ2-CG 3.97Å; W319-W506 HydrophobicContact CZ3-CB 3.85Å; W319-W506 HydrophobicContact CZ3-CG 4.09Å
320	Q	97.9	Very high	92.2	Very high	6 Å²	6	41.5 Å²	41.5	3%	0.028	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	134.1	178.3	-175.7	72.5	47.1	0	0	110.1	I317 S437 W439 L452	I317-Q320 HydrophobicContact CG2-CB 4.02Å; I317-Q320 WeakPolarHBondContact O-CB 3.3Å; I317-Q320 PolarHBondContact O-N 3.13Å; Q320-S437 PolarHBondContact OE1-O 2.91Å; Q320-S437 PolarHBondContact OE1-OG 2.94Å; Q320-W439 HydrophobicContact CB-CH2 4.45Å; Q320-W439 HydrophobicContact CG-CE3 4.42Å; Q320-W439 HydrophobicContact CG-CH2 3.4Å; Q320-W439 HydrophobicContact CG-CZ2 4.38Å; Q320-W439 HydrophobicContact CG-CZ3 3.42Å; Q320-W439 VanDerWaalsContact CG-CZ3 3.42Å; Q320-L452 HydrophobicContact CB-CD2 4.21Å; Q320-L452 HydrophobicContact CG-CD1 3.84Å; Q320-L452 HydrophobicContact CG-CD2 4.07Å
321	V	97.6	Very high	92.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	157.8	168.2	-49.8	0	0	0	0	111	W319 G334 G335 I337 V343 V359 R360 V361	W319-V321 PolarHBondContact O-N 2.99Å; V321-G334 CarbonylContact O-C 3.59Å; V321-G334 VanDerWaalsContact O-CA 3.29Å; V321-G334 WeakPolarHBondContact O-CA 3.23Å; V321-G335 VanDerWaalsContact CG2-C 3.44Å; V321-G335 VanDerWaalsContact CG2-CA 3.41Å; V321-G335 PolarHBondContact N-O 3.11Å; V321-G335 VanDerWaalsContact N-O 3.15Å; V321-G335 PolarHBondContact O-N 3.18Å; V321-G335 VanDerWaalsContact O-N 3.09Å; V321-I337 HydrophobicContact CG1-CD1 3.95Å; V321-I337 HydrophobicContact CG1-CG1 3.37Å; V321-V343 HydrophobicContact CG2-CG1 3.67Å; V321-V359 HydrophobicContact CB-CG1 3.77Å; V321-V359 HydrophobicContact CG1-CG1 4.1Å; V321-V359 HydrophobicContact CG2-CG1 3.81Å; V321-R360 WeakPolarHBondContact CA-O 3.41Å; V321-R360 WeakPolarHBondContact CB-O 3.28Å; V321-V361 HydrophobicContact CG1-CG1 3.82Å
322	G	95.9	Very high	92.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	137.1	168.5	0	0	0	0	0	110.9	R360	G322-R360 PolarHBondContact N-O 2.72Å; G322-R360 PolarHBondContact O-N 2.76Å
323	L	95.9	Very high	92.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	118.8	167.9	-54.8	-169.9	0	0	0	108.5	L331 F332 C333 T345 C349 F357 V359 L401	L323-L331 WeakPolarHBondContact O-CA 3.3Å; L323-F332 HydrophobicContact CB-CD1 4.29Å; L323-F332 HydrophobicContact CB-CE1 3.65Å; L323-F332 HydrophobicContact CB-CE2 4.13Å; L323-F332 HydrophobicContact CB-CZ 3.56Å; L323-F332 HydrophobicContact CD1-CE2 4.29Å; L323-F332 HydrophobicContact CD1-CZ 4.15Å; L323-F332 WeakPolarHBondContact O-CD1 3.39Å; L323-F332 WeakPolarHBondContact O-CE1 3.48Å; L323-F332 PolarHBondContact O-N 3.45Å; L323-F332 VanDerWaalsContact O-N 3.07Å; L323-C333 HydrophobicContact CB-CB 4.11Å; L323-C333 HydrophobicContact CD1-CB 3.81Å; L323-C333 HydrophobicContact CG-CB 4.08Å; L323-C333 PolarHBondContact N-O 3.02Å; L323-T345 HydrophobicContact CD1-CG2 4.19Å; L323-C349 HydrophobicContact CD1-CB 4.07Å; L323-F357 HydrophobicContact CB-CD2 4.29Å; L323-F357 HydrophobicContact CD1-CE2 4.22Å; L323-F357 HydrophobicContact CD2-CD2 4.3Å; L323-F357 HydrophobicContact CD2-CE2 4.13Å; L323-V359 HydrophobicContact CD2-CG2 3.79Å; L323-L401 HydrophobicContact CD2-CD1 3.82Å
324	I	93.8	Very high	92.5	Very high	5 Å²	5	32.4 Å²	32.4	3%	0.026	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	114.9	-172	-51.2	-55.7	0	0	0	109.2	L331 F357 S358 R360	I324-L331 HydrophobicContact CD1-CB 3.74Å; I324-L331 HydrophobicContact CD1-CD1 4.16Å; I324-L331 HydrophobicContact CD1-CG 3.97Å; I324-F357 CarbonylContact O-C 3.51Å; I324-F357 WeakPolarHBondContact O-CA 3.46Å; I324-F357 VanDerWaalsContact O-CB 3.24Å; I324-F357 WeakPolarHBondContact O-CB 3.44Å; I324-S358 PolarHBondContact N-O 2.94Å; I324-S358 PolarHBondContact O-N 3.22Å; I324-R360 HydrophobicContact CD1-CB 4.2Å; I324-R360 HydrophobicContact CG1-CB 3.65Å
325	A	92.4	Very high	92.9	Very high	18 Å²	18	29.1 Å²	29.1	15%	0.149	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	136.8	178.4	0	0	0	0	0	111.2	S328 G329 R330 F332	A325-S328 PolarHBondContact O-N 2.99Å; A325-S328 PolarHBondContact O-OG 3.33Å; A325-G329 WeakPolarHBondContact O-CA 3.27Å; A325-G329 PolarHBondContact O-N 3.37Å; A325-R330 PolarHBondContact N-O 3.48Å; A325-F332 HydrophobicContact CB-CD1 3.85Å; A325-F332 HydrophobicContact CB-CE1 4.12Å
326	K	89.5	Confident	93.4	Very high	79 Å²	79	28.6 Å²	28.6	34%	0.343	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	138.9	173.5	-64.4	-178.5	178.2	179.1	0	110	S356 S358 E377	K326-S356 WeakPolarHBondContact CB-O 3.48Å; K326-S356 PolarHBondContact N-O 3.44Å; K326-S358 WeakPolarHBondContact CE-OG 3.38Å; K326-E377 IonicContact NZ-OE1 3.69Å
327	P	86.6	Confident	93.6	Very high	140 Å²	140	27.3 Å²	27.3	91%	0.909	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	cis	-90.5	1.5	2.2	36.8	-35.9	0	0	0	114.2	G329	P327-G329 PolarHBondContact O-N 3.34Å
328	S	87	Confident	93.7	Very high	83 Å²	83	27.2 Å²	27.2	58%	0.58	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-20.5	-169.9	61	0	0	0	0	114.6	A325 R330	A325-S328 PolarHBondContact O-N 2.99Å; A325-S328 PolarHBondContact O-OG 3.33Å; S328-R330 PolarHBondContact O-N 3.35Å; S328-R330 PolarHBondContact OG-N 3.24Å
329	G	86.9	Confident	93.7	Very high	45 Å²	45	28.6 Å²	28.6	46%	0.464	17%	0.169	S	C	.	.			trans	69.1	9.8	-174.8	0	0	0	0	0	113.2	A325 P327	A325-G329 WeakPolarHBondContact O-CA 3.27Å; A325-G329 PolarHBondContact O-N 3.37Å; P327-G329 PolarHBondContact O-N 3.34Å
330	R	87.4	Confident	93.6	Very high	131 Å²	131	33.6 Å²	33.6	49%	0.494	19%	0.192	S	C	.	.			trans	-79.2	126.5	-175.6	-175.1	178	70.6	87.7	-4.6	110.6	A325 S328 F332	A325-R330 PolarHBondContact N-O 3.48Å; S328-R330 PolarHBondContact O-N 3.35Å; S328-R330 PolarHBondContact OG-N 3.24Å; R330-F332 PolarHBondContact O-N 3.41Å
331	L	90	Very high	93.6	Very high	35 Å²	35	37 Å²	37	18%	0.183	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	122.4	164.8	-168.5	157	0	0	0	109	L323 I324 T366 W439	L323-L331 WeakPolarHBondContact O-CA 3.3Å; I324-L331 HydrophobicContact CD1-CB 3.74Å; I324-L331 HydrophobicContact CD1-CD1 4.16Å; I324-L331 HydrophobicContact CD1-CG 3.97Å; L331-T366 HydrophobicContact CD1-CG2 4.23Å; L331-W439 HydrophobicContact CD1-CB 4.34Å; L331-W439 HydrophobicContact CD1-CD2 3.84Å; L331-W439 HydrophobicContact CD1-CE3 3.6Å; L331-W439 HydrophobicContact CD1-CG 4.18Å; L331-W439 HydrophobicContact CD1-CZ3 4.12Å; L331-W439 HydrophobicContact CD2-CB 4.34Å; L331-W439 HydrophobicContact CD2-CE3 4.48Å
332	F	89.4	Confident	93.6	Very high	7 Å²	7	37.5 Å²	37.5	3%	0.031	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	-28.5	-178.2	68.8	-87.8	0	0	0	113.6	L323 A325 R330 C349 A353 F357	L323-F332 HydrophobicContact CB-CD1 4.29Å; L323-F332 HydrophobicContact CB-CE1 3.65Å; L323-F332 HydrophobicContact CB-CE2 4.13Å; L323-F332 HydrophobicContact CB-CZ 3.56Å; L323-F332 HydrophobicContact CD1-CE2 4.29Å; L323-F332 HydrophobicContact CD1-CZ 4.15Å; L323-F332 WeakPolarHBondContact O-CD1 3.39Å; L323-F332 WeakPolarHBondContact O-CE1 3.48Å; L323-F332 PolarHBondContact O-N 3.45Å; L323-F332 VanDerWaalsContact O-N 3.07Å; A325-F332 HydrophobicContact CB-CD1 3.85Å; A325-F332 HydrophobicContact CB-CE1 4.12Å; R330-F332 PolarHBondContact O-N 3.41Å; F332-C349 HydrophobicContact CE2-CB 4.26Å; F332-C349 WeakPolarHBondContact CE2-O 3.4Å; F332-A353 HydrophobicContact CE2-CB 4.26Å; F332-A353 HydrophobicContact CZ-CB 3.94Å; F332-F357 HydrophobicContact CE1-CB 3.88Å; F332-F357 HydrophobicContact CE1-CG 4.31Å; F332-F357 HydrophobicContact CZ-CB 4.16Å; F332-F357 HydrophobicContact CZ-CD2 4.36Å; F332-F357 HydrophobicContact CZ-CG 4.11Å
333	C	93.4	Very high	93.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	164.4	176.2	-86.7	0	0	0	0	110.8	L323 C349 S494	L323-C333 HydrophobicContact CB-CB 4.11Å; L323-C333 HydrophobicContact CD1-CB 3.81Å; L323-C333 HydrophobicContact CG-CB 4.08Å; L323-C333 PolarHBondContact N-O 3.02Å; C333-C349 HydrophobicContact CB-CB 3.68Å; C333-C349 WeakPolarHBondContact CB-SG 3.26Å; C333-C349 WeakPolarHBondContact SG-CB 3.27Å; C333-C349 CovalentContact SG-SG 2.04Å; C333-C349 PolarHBondContact SG-SG 2.97Å; C333-S494 CarbonylContact C-O 3.59Å; C333-S494 WeakPolarHBondContact CA-O 2.91Å; C333-S494 WeakPolarHBondContact CB-O 3.36Å
334	G	95	Very high	93.9	Very high	2 Å²	2	37.5 Å²	37.5	2%	0.021	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-175.4	168	0	0	0	0	0	113.4	V321 T345 S494 G495	V321-G334 CarbonylContact O-C 3.59Å; V321-G334 VanDerWaalsContact O-CA 3.29Å; V321-G334 WeakPolarHBondContact O-CA 3.23Å; G334-T345 PolarHBondContact O-OG1 2.98Å; G334-S494 PolarHBondContact N-O 2.75Å; G334-G495 CarbonylContact O-C 3.5Å
335	G	97.6	Very high	94.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.2	-179	175.3	0	0	0	0	0	111	V321 I344 G495	V321-G335 VanDerWaalsContact CG2-C 3.44Å; V321-G335 VanDerWaalsContact CG2-CA 3.41Å; V321-G335 PolarHBondContact N-O 3.11Å; V321-G335 VanDerWaalsContact N-O 3.15Å; V321-G335 PolarHBondContact O-N 3.18Å; V321-G335 VanDerWaalsContact O-N 3.09Å; G335-I344 CarbonylContact C-O 3.55Å; G335-I344 WeakPolarHBondContact CA-O 3.12Å; G335-G495 VanDerWaalsContact CA-O 3.23Å; G335-G495 WeakPolarHBondContact CA-O 3.25Å; G335-G495 PolarHBondContact N-O 3.19Å
336	S	98.6	Very high	94.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	139.4	172.2	-55.1	0	0	0	0	112.5	W319 L338 V343 I344 P497	W319-S336 CarbonylContact O-C 3.22Å; W319-S336 VanDerWaalsContact O-CA 3.29Å; W319-S336 WeakPolarHBondContact O-CA 3.05Å; S336-L338 PolarHBondContact O-N 3.4Å; S336-V343 CarbonylContact O-C 3.44Å; S336-V343 WeakPolarHBondContact O-CA 3.21Å; S336-I344 PolarHBondContact N-O 3.49Å; S336-I344 PolarHBondContact O-N 3.04Å; S336-P497 VanDerWaalsContact OG-CB 3.32Å; S336-P497 WeakPolarHBondContact OG-CB 3.46Å
337	I	98.8	Very high	94.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	122.9	173.7	-55.9	174.8	0	0	0	109.7	W319 V321 S339 V361 I407 F409 V413 P415 I416	W319-I337 PolarHBondContact O-N 3.41Å; V321-I337 HydrophobicContact CG1-CD1 3.95Å; V321-I337 HydrophobicContact CG1-CG1 3.37Å; I337-S339 WeakPolarHBondContact CG2-O 3.39Å; I337-V361 HydrophobicContact CD1-CB 4.31Å; I337-V361 HydrophobicContact CD1-CG1 4Å; I337-I407 HydrophobicContact CD1-CD1 4.27Å; I337-I407 HydrophobicContact CG1-CD1 4.24Å; I337-I407 HydrophobicContact CG2-CD1 3.95Å; I337-F409 HydrophobicContact CG2-CE1 3.89Å; I337-F409 HydrophobicContact CG2-CZ 4.32Å; I337-V413 HydrophobicContact CD1-CG1 3.66Å; I337-P415 HydrophobicContact CG2-CB 4.07Å; I337-P415 CarbonylContact O-C 3.06Å; I337-P415 VanDerWaalsContact O-CA 3.3Å; I337-P415 WeakPolarHBondContact O-CA 3.33Å; I337-I416 PolarHBondContact O-N 2.83Å
338	L	98.3	Very high	95	Very high	13 Å²	13	27.1 Å²	27.1	7%	0.068	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	-32.9	173.2	-64.4	-171.9	0	0	0	113	S336 W342 I344 L400 I416 I418 L508 I537 M541	S336-L338 PolarHBondContact O-N 3.4Å; L338-W342 HydrophobicContact CB-CB 4.12Å; L338-W342 PolarHBondContact N-O 2.9Å; L338-I344 HydrophobicContact CD1-CB 3.84Å; L338-I344 HydrophobicContact CD1-CD1 4.19Å; L338-I344 HydrophobicContact CD1-CG2 4.18Å; L338-I344 HydrophobicContact CD2-CB 4.34Å; L338-I344 HydrophobicContact CD2-CG2 3.74Å; L338-I344 HydrophobicContact CG-CB 3.96Å; L338-I344 HydrophobicContact CG-CG2 3.83Å; L338-L400 HydrophobicContact CD1-CD2 3.67Å; L338-I416 HydrophobicContact CD2-CG2 4.23Å; L338-I418 HydrophobicContact CD2-CG2 3.69Å; L338-L508 HydrophobicContact CD2-CD2 4.42Å; L338-I537 HydrophobicContact CD1-CG2 3.83Å; L338-M541 HydrophobicContact CB-CE 4.2Å; L338-M541 HydrophobicContact CB-SD 4.5Å; L338-M541 HydrophobicContact CD1-SD 3.99Å
339	S	97	Very high	95.4	Very high	33 Å²	33	23.1 Å²	23.1	23%	0.231	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	-176	176.3	70	0	0	0	0	109.9	I337 R341 W342	I337-S339 WeakPolarHBondContact CG2-O 3.39Å; S339-R341 PolarHBondContact O-N 3.15Å; S339-W342 PolarHBondContact N-O 2.98Å; S339-W342 PolarHBondContact O-N 3.11Å; S339-W342 WeakPolarHBondContact OG-CB 3.24Å; S339-W342 VanDerWaalsContact OG-CD1 3.23Å; S339-W342 PolarHBondContact OG-N 2.92Å
340	E	96.6	Very high	95.7	Very high	109 Å²	109	22 Å²	22	51%	0.509	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-29	-179.9	-62.5	175.4	159.5	0	0	113.1	P406 I407 F409	E340-P406 HydrophobicContact CB-CB 4.15Å; E340-P406 CarbonylContact O-C 3.59Å; E340-P406 WeakPolarHBondContact O-CA 3.42Å; E340-I407 WeakPolarHBondContact O-CB 3.25Å; E340-I407 WeakPolarHBondContact O-CG1 3.23Å; E340-I407 PolarHBondContact O-N 3.18Å; E340-F409 HydrophobicContact CB-CZ 4.41Å; E340-F409 HydrophobicContact CG-CD2 4.29Å; E340-F409 HydrophobicContact CG-CE2 3.58Å; E340-F409 HydrophobicContact CG-CZ 3.83Å
341	R	97	Very high	95.7	Very high	76 Å²	76	23.2 Å²	23.2	29%	0.287	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.4	2	-177.3	-67.4	-177.3	175.7	-90.4	8.4	114.7	S339 Y402 L403 K404 P406	S339-R341 PolarHBondContact O-N 3.15Å; R341-Y402 HydrophobicContact CB-CD2 4.13Å; R341-Y402 HydrophobicContact CB-CE2 3.66Å; R341-Y402 VanDerWaalsContact CD-OH 3.25Å; R341-Y402 WeakPolarHBondContact CD-OH 3.32Å; R341-Y402 WeakPolarHBondContact O-CA 3.44Å; R341-L403 PolarHBondContact NH1-O 3.22Å; R341-L403 PolarHBondContact O-N 3.25Å; R341-K404 VanDerWaalsContact NH1-C 3.35Å; R341-K404 PolarHBondContact NH1-O 3.36Å; R341-P406 HydrophobicContact CG-CB 3.99Å
342	W	98.1	Very high	95.4	Very high	11 Å²	11	25.8 Å²	25.8	4%	0.042	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	127.9	-173.7	-70.4	99.8	0	0	0	111.1	L338 S339 L400 L401 Y402 M541 T544	L338-W342 HydrophobicContact CB-CB 4.12Å; L338-W342 PolarHBondContact N-O 2.9Å; S339-W342 PolarHBondContact N-O 2.98Å; S339-W342 PolarHBondContact O-N 3.11Å; S339-W342 WeakPolarHBondContact OG-CB 3.24Å; S339-W342 VanDerWaalsContact OG-CD1 3.23Å; S339-W342 PolarHBondContact OG-N 2.92Å; W342-L400 HydrophobicContact CE3-CB 3.92Å; W342-L400 HydrophobicContact CE3-CD1 4.45Å; W342-L400 HydrophobicContact CZ3-CB 3.78Å; W342-L400 HydrophobicContact CZ3-CD1 4.29Å; W342-L401 WeakPolarHBondContact CA-O 3.41Å; W342-Y402 AromaticContact CD2-CD2 3.85Å; W342-Y402 HydrophobicContact CD2-CD2 3.85Å; W342-Y402 AromaticContact CE2-CD2 3.44Å; W342-Y402 VanDerWaalsContact CE2-CD2 3.44Å; W342-Y402 AromaticContact CE2-CE2 3.92Å; W342-Y402 HydrophobicContact CE3-CD2 4.21Å; W342-Y402 HydrophobicContact CG-CD2 4.47Å; W342-Y402 AromaticContact CH2-CD2 3.93Å; W342-Y402 HydrophobicContact CH2-CD2 3.93Å; W342-Y402 HydrophobicContact CH2-CG 4.39Å; W342-Y402 AromaticContact CZ2-CD2 3.49Å; W342-Y402 HydrophobicContact CZ2-CD2 3.49Å; W342-Y402 VanDerWaalsContact CZ2-CD2 3.49Å; W342-Y402 HydrophobicContact CZ2-CE2 4.06Å; W342-Y402 HydrophobicContact CZ2-CG 4.36Å; W342-Y402 HydrophobicContact CZ3-CD2 4.25Å; W342-Y402 AromaticContact NE1-CD2 3.81Å; W342-Y402 AromaticContact NE1-CE2 3.85Å; W342-M541 HydrophobicContact CB-CE 4.12Å; W342-M541 HydrophobicContact CD2-CG 3.86Å; W342-M541 HydrophobicContact CE3-CG 4.41Å; W342-M541 HydrophobicContact CG-CE 4.08Å; W342-M541 HydrophobicContact CG-CG 3.91Å; W342-T544 HydrophobicContact CH2-CG2 4.07Å; W342-T544 HydrophobicContact CZ2-CG2 3.88Å
343	V	98.7	Very high	94.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	142.8	173.1	168.2	0	0	0	0	108.2	V321 S336 V359 L400 L401 L403 I407	V321-V343 HydrophobicContact CG2-CG1 3.67Å; S336-V343 CarbonylContact O-C 3.44Å; S336-V343 WeakPolarHBondContact O-CA 3.21Å; V343-V359 HydrophobicContact CG1-CG1 4.37Å; V343-V359 HydrophobicContact CG2-CG1 4.17Å; V343-L400 WeakPolarHBondContact O-CA 3.33Å; V343-L401 HydrophobicContact CB-CB 4.21Å; V343-L401 HydrophobicContact CG1-CD1 4.24Å; V343-L401 PolarHBondContact N-O 3.06Å; V343-L401 PolarHBondContact O-N 3.1Å; V343-L403 HydrophobicContact CG2-CD1 4.1Å; V343-I407 HydrophobicContact CG2-CD1 4.37Å
344	I	98.8	Very high	93.7	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	141.2	176	-167.5	163.1	0	0	0	109.8	G335 S336 L338 I398 A399 L400 L508 I511 I537	G335-I344 CarbonylContact C-O 3.55Å; G335-I344 WeakPolarHBondContact CA-O 3.12Å; S336-I344 PolarHBondContact N-O 3.49Å; S336-I344 PolarHBondContact O-N 3.04Å; L338-I344 HydrophobicContact CD1-CB 3.84Å; L338-I344 HydrophobicContact CD1-CD1 4.19Å; L338-I344 HydrophobicContact CD1-CG2 4.18Å; L338-I344 HydrophobicContact CD2-CB 4.34Å; L338-I344 HydrophobicContact CD2-CG2 3.74Å; L338-I344 HydrophobicContact CG-CB 3.96Å; L338-I344 HydrophobicContact CG-CG2 3.83Å; I344-I398 HydrophobicContact CD1-CD1 3.71Å; I344-I398 HydrophobicContact CD1-CG1 4.07Å; I344-I398 HydrophobicContact CG1-CD1 4.32Å; I344-I398 HydrophobicContact CG1-CG1 4.12Å; I344-A399 WeakPolarHBondContact CA-O 3.24Å; I344-L400 HydrophobicContact CB-CD2 3.93Å; I344-L400 HydrophobicContact CD1-CD2 4.03Å; I344-L400 HydrophobicContact CG1-CD2 3.91Å; I344-L508 HydrophobicContact CD1-CD2 4.4Å; I344-L508 HydrophobicContact CG2-CD2 3.66Å; I344-I511 HydrophobicContact CD1-CD1 3.96Å; I344-I511 HydrophobicContact CG1-CD1 3.79Å; I344-I537 HydrophobicContact CD1-CD1 3.73Å; I344-I537 HydrophobicContact CD1-CG1 4.29Å
345	T	98.3	Very high	93	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	-177.3	179.5	-171.5	0	0	0	0	109.6	L323 G334 L350 A399 L401 G495	L323-T345 HydrophobicContact CD1-CG2 4.19Å; G334-T345 PolarHBondContact O-OG1 2.98Å; T345-L350 HydrophobicContact CG2-CD2 4.43Å; T345-A399 HydrophobicContact CG2-CB 4.35Å; T345-A399 PolarHBondContact N-O 3.22Å; T345-A399 PolarHBondContact O-N 3.08Å; T345-L401 HydrophobicContact CG2-CD1 4Å; T345-L401 HydrophobicContact CG2-CG 4.13Å; T345-G495 WeakPolarHBondContact OG1-CA 3.21Å
346	A	97.6	Very high	92.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.214	C	C	.	.			trans	-78.9	144.7	172	0	0	0	0	0	110.3	H348 C349 I511	A346-H348 VanDerWaalsContact C-N 3.35Å; A346-C349 WeakPolarHBondContact O-CB 3.37Å; A346-C349 PolarHBondContact O-N 3.39Å; A346-I511 HydrophobicContact CB-CG2 4.19Å
347	A	96.9	Very high	92.5	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.008	22%	0.216	C	C	.	.	H	α-helix	trans	-71.4	-30.1	-180	0	0	0	0	0	112.5	C349 L350 P383 Y387 D397 A399	A347-C349 PolarHBondContact O-N 2.87Å; A347-L350 WeakPolarHBondContact O-CB 3.38Å; A347-L350 PolarHBondContact O-N 3.22Å; A347-L350 VanDerWaalsContact O-N 3.11Å; A347-P383 HydrophobicContact CB-CB 4.23Å; A347-Y387 HydrophobicContact CB-CD1 3.61Å; A347-Y387 HydrophobicContact CB-CD2 3.73Å; A347-Y387 HydrophobicContact CB-CE1 3.59Å; A347-Y387 HydrophobicContact CB-CE2 3.71Å; A347-Y387 HydrophobicContact CB-CG 3.66Å; A347-D397 WeakPolarHBondContact CA-OD1 3.22Å; A347-D397 PolarHBondContact N-OD1 2.89Å; A347-A399 HydrophobicContact CB-CB 4.16Å
348	H	93.9	Very high	92.4	Very high	22 Å²	22	38.2 Å²	38.2	10%	0.102	22%	0.217	C	C	.	.	H	α-helix	trans	-63.7	-28.2	176.2	77	-100.2	0	0	0	112.4	A346 L350 R351 E352 Y387 D397 S494 S513	A346-H348 VanDerWaalsContact C-N 3.35Å; H348-L350 PolarHBondContact O-N 3.39Å; H348-R351 WeakPolarHBondContact O-CB 3.47Å; H348-R351 PolarHBondContact O-N 3.28Å; H348-E352 PolarHBondContact O-N 2.9Å; H348-Y387 VanDerWaalsContact CA-OH 3.24Å; H348-Y387 WeakPolarHBondContact CA-OH 3.45Å; H348-Y387 PolarHBondContact N-OH 3.15Å; H348-D397 IonicContact CE1-OD2 2.73Å; H348-D397 PolarHBondContact CE1-OD2 2.73Å; H348-D397 IonicContact CG-OD1 3.08Å; H348-D397 IonicContact CG-OD2 3.37Å; H348-D397 PolarHBondContact N-OD1 2.03Å; H348-D397 VanDerWaalsContact ND1-CG 3.33Å; H348-D397 IonicContact ND1-OD1 2.68Å; H348-D397 PolarHBondContact ND1-OD1 2.89Å; H348-D397 IonicContact ND1-OD2 3.21Å; H348-D397 PolarHBondContact ND1-OD2 3.38Å; H348-S494 VanDerWaalsContact NE2-CB 3.27Å; H348-S494 WeakPolarHBondContact NE2-CB 3.26Å; H348-S494 PolarHBondContact NE2-OG 2.92Å; H348-S513 PolarHBondContact CE1-O 2.96Å
349	C	94.3	Very high	92.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60.1	-33.8	174.6	-68.8	0	0	0	0	112	L323 F332 C333 A346 A347 R351 E352 A353	L323-C349 HydrophobicContact CD1-CB 4.07Å; F332-C349 HydrophobicContact CE2-CB 4.26Å; F332-C349 WeakPolarHBondContact CE2-O 3.4Å; C333-C349 HydrophobicContact CB-CB 3.68Å; C333-C349 WeakPolarHBondContact CB-SG 3.26Å; C333-C349 WeakPolarHBondContact SG-CB 3.27Å; C333-C349 CovalentContact SG-SG 2.04Å; C333-C349 PolarHBondContact SG-SG 2.97Å; A346-C349 WeakPolarHBondContact O-CB 3.37Å; A346-C349 PolarHBondContact O-N 3.39Å; A347-C349 PolarHBondContact O-N 2.87Å; C349-R351 PolarHBondContact O-N 3.22Å; C349-E352 PolarHBondContact O-N 3.49Å; C349-A353 PolarHBondContact O-N 2.75Å
350	L	93.6	Very high	92.4	Very high	22 Å²	22	38.4 Å²	38.4	12%	0.115	21%	0.212	C	C	.	.	H	α-helix	trans	-68	-27.2	176.8	-50	-173.5	0	0	0	112.3	T345 A347 H348 F357 E381 P383 A399 L401	T345-L350 HydrophobicContact CG2-CD2 4.43Å; A347-L350 WeakPolarHBondContact O-CB 3.38Å; A347-L350 PolarHBondContact O-N 3.22Å; A347-L350 VanDerWaalsContact O-N 3.11Å; H348-L350 PolarHBondContact O-N 3.39Å; L350-F357 HydrophobicContact CD2-CE1 4.38Å; L350-F357 HydrophobicContact CD2-CZ 3.82Å; L350-E381 HydrophobicContact CD1-CB 4.05Å; L350-E381 HydrophobicContact CD2-CG 4.46Å; L350-P383 HydrophobicContact CD1-CB 4.34Å; L350-A399 HydrophobicContact CD1-CB 3.6Å; L350-A399 HydrophobicContact CG-CB 4.17Å; L350-L401 HydrophobicContact CD2-CD2 3.71Å
351	R	87.7	Confident	92.4	Very high	156 Å²	156	33.4 Å²	33.4	59%	0.589	19%	0.188	S	C	*	.	H	α-helix	trans	-83.2	-34.6	174.7	-69.1	-173.6	54.8	147.2	-5.8	112.6	H348 C349 A353 A389	H348-R351 WeakPolarHBondContact O-CB 3.47Å; H348-R351 PolarHBondContact O-N 3.28Å; C349-R351 PolarHBondContact O-N 3.22Å; R351-A353 PolarHBondContact O-N 3.31Å; R351-A389 VanDerWaalsContact CD-CB 3.49Å
352	E	84.2	Confident	92.4	Very high	88 Å²	88	30 Å²	30	41%	0.411	18%	0.177	S	C	.	.	H	α-helix	trans	-68.4	-26.3	175.1	-169	179.8	156.4	0	0	111.6	H348 C349 A354	H348-E352 PolarHBondContact O-N 2.9Å; C349-E352 PolarHBondContact O-N 3.49Å; E352-A354 VanDerWaalsContact C-N 3.28Å; E352-A354 PolarHBondContact O-N 3.47Å
353	A	79.4	Confident	92.2	Very high	18 Å²	18	30.1 Å²	30.1	15%	0.149	18%	0.178	C	C	.	.			trans	-60.5	90	169	0	0	0	0	0	110.2	F332 C349 R351 G355 F357	F332-A353 HydrophobicContact CE2-CB 4.26Å; F332-A353 HydrophobicContact CZ-CB 3.94Å; C349-A353 PolarHBondContact O-N 2.75Å; R351-A353 PolarHBondContact O-N 3.31Å; A353-G355 PolarHBondContact O-N 3.16Å; A353-F357 HydrophobicContact CB-CD1 3.65Å; A353-F357 HydrophobicContact CB-CE1 4.03Å; A353-F357 HydrophobicContact CB-CG 4.49Å
354	A	67.8	Low	92	Very high	110 Å²	110	31.1 Å²	31.1	91%	0.909	18%	0.183	S	C	*	.	S	Bend	trans	-75.2	50.2	173.5	0	0	0	0	0	111.1	E352	E352-A354 VanDerWaalsContact C-N 3.28Å; E352-A354 PolarHBondContact O-N 3.47Å
355	G	79.8	Confident	91.7	Very high	49 Å²	49	32.4 Å²	32.4	51%	0.505	19%	0.19	S	C	.	.	S	Bend	trans	143.9	-161.5	-175.6	0	0	0	0	0	113.4	A353	A353-G355 PolarHBondContact O-N 3.16Å
356	S	90.3	Very high	91.3	Very high	80 Å²	80	35 Å²	35	56%	0.559	21%	0.206	S	C	*	.			trans	-75	150.4	175.2	61.6	0	0	0	0	111.3	K326	K326-S356 WeakPolarHBondContact CB-O 3.48Å; K326-S356 PolarHBondContact N-O 3.44Å
357	F	95.5	Very high	90.9	Very high	12 Å²	12	41.5 Å²	41.5	5%	0.053	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	164.6	175.3	64.8	-84.1	0	0	0	110.6	L323 I324 F332 L350 A353 V378 E381 L401	L323-F357 HydrophobicContact CB-CD2 4.29Å; L323-F357 HydrophobicContact CD1-CE2 4.22Å; L323-F357 HydrophobicContact CD2-CD2 4.3Å; L323-F357 HydrophobicContact CD2-CE2 4.13Å; I324-F357 CarbonylContact O-C 3.51Å; I324-F357 WeakPolarHBondContact O-CA 3.46Å; I324-F357 VanDerWaalsContact O-CB 3.24Å; I324-F357 WeakPolarHBondContact O-CB 3.44Å; F332-F357 HydrophobicContact CE1-CB 3.88Å; F332-F357 HydrophobicContact CE1-CG 4.31Å; F332-F357 HydrophobicContact CZ-CB 4.16Å; F332-F357 HydrophobicContact CZ-CD2 4.36Å; F332-F357 HydrophobicContact CZ-CG 4.11Å; L350-F357 HydrophobicContact CD2-CE1 4.38Å; L350-F357 HydrophobicContact CD2-CZ 3.82Å; A353-F357 HydrophobicContact CB-CD1 3.65Å; A353-F357 HydrophobicContact CB-CE1 4.03Å; A353-F357 HydrophobicContact CB-CG 4.49Å; F357-V378 HydrophobicContact CD2-CG2 4.26Å; F357-V378 HydrophobicContact CE2-CG2 3.68Å; F357-V378 HydrophobicContact CZ-CG2 4.11Å; F357-E381 VanDerWaalsContact CE1-OE1 3.25Å; F357-E381 WeakPolarHBondContact CE1-OE1 3.49Å; F357-E381 HydrophobicContact CZ-CG 4.38Å; F357-L401 HydrophobicContact CE2-CD1 3.96Å; F357-L401 HydrophobicContact CE2-CD2 4.43Å; F357-L401 HydrophobicContact CZ-CD1 4.44Å; F357-L401 HydrophobicContact CZ-CD2 4.11Å
358	S	96.8	Very high	90.6	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.014	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	157.6	169.9	43.5	0	0	0	0	110.9	I324 K326 Y376	I324-S358 PolarHBondContact N-O 2.94Å; I324-S358 PolarHBondContact O-N 3.22Å; K326-S358 WeakPolarHBondContact CE-OG 3.38Å; S358-Y376 WeakPolarHBondContact CA-O 3.02Å; S358-Y376 WeakPolarHBondContact CB-O 3.28Å
359	V	97.8	Very high	90.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	117	171.3	-178.8	0	0	0	0	108.8	V321 L323 V343 V361 D375 Y376 V378 L401 L403	V321-V359 HydrophobicContact CB-CG1 3.77Å; V321-V359 HydrophobicContact CG1-CG1 4.1Å; V321-V359 HydrophobicContact CG2-CG1 3.81Å; L323-V359 HydrophobicContact CD2-CG2 3.79Å; V343-V359 HydrophobicContact CG1-CG1 4.37Å; V343-V359 HydrophobicContact CG2-CG1 4.17Å; V359-V361 HydrophobicContact CG1-CG1 4.44Å; V359-D375 CarbonylContact O-C 3.55Å; V359-D375 WeakPolarHBondContact O-CA 3.45Å; V359-Y376 PolarHBondContact N-O 3.44Å; V359-Y376 PolarHBondContact O-N 3.27Å; V359-V378 HydrophobicContact CG2-CG2 3.85Å; V359-L401 HydrophobicContact CG2-CD1 3.84Å; V359-L403 HydrophobicContact CB-CD2 4.08Å; V359-L403 HydrophobicContact CG2-CD2 3.81Å
360	R	97.4	Very high	90.2	Very high	50 Å²	50	54 Å²	54	19%	0.189	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	125.1	173.2	-172.8	168	-67.3	162.4	4.3	110.8	V321 G322 I324 E363 E373 K374 D375	V321-R360 WeakPolarHBondContact CA-O 3.41Å; V321-R360 WeakPolarHBondContact CB-O 3.28Å; G322-R360 PolarHBondContact N-O 2.72Å; G322-R360 PolarHBondContact O-N 2.76Å; I324-R360 HydrophobicContact CD1-CB 4.2Å; I324-R360 HydrophobicContact CG1-CB 3.65Å; R360-E363 WeakPolarHBondContact CD-OE2 3.14Å; R360-E363 HydrophobicContact CG-CB 4.03Å; R360-E363 IonicContact NH1-OE2 2.65Å; R360-E363 PolarHBondContact NH1-OE2 3.47Å; R360-E373 HydrophobicContact CG-CB 4.38Å; R360-K374 WeakPolarHBondContact CA-O 3.32Å; R360-D375 WeakPolarHBondContact CB-OD1 3.39Å; R360-D375 VanDerWaalsContact CG-OD1 3.24Å; R360-D375 WeakPolarHBondContact CG-OD1 3.31Å; R360-D375 IonicContact CZ-OD1 3.78Å; R360-D375 IonicContact CZ-OD2 3.94Å; R360-D375 IonicContact NE-OD1 3.76Å; R360-D375 PolarHBondContact NE-OD1 3.44Å; R360-D375 IonicContact NE-OD2 2.72Å; R360-D375 IonicContact NH2-OD1 3.81Å; R360-D375 PolarHBondContact NH2-OD1 2.96Å; R360-D375 IonicContact NH2-OD2 3.44Å; R360-D375 PolarHBondContact NH2-OD2 2.74Å
361	V	97.4	Very high	90.1	Very high	3 Å²	3	56.3 Å²	56.3	2%	0.018	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	157.7	172.7	-50.4	0	0	0	0	110.2	V321 I337 V359 E363 E373 K374 Y376 I407 V413	V321-V361 HydrophobicContact CG1-CG1 3.82Å; I337-V361 HydrophobicContact CD1-CB 4.31Å; I337-V361 HydrophobicContact CD1-CG1 4Å; V359-V361 HydrophobicContact CG1-CG1 4.44Å; V361-E363 PolarHBondContact O-N 2.82Å; V361-E373 WeakPolarHBondContact O-CA 3.48Å; V361-K374 HydrophobicContact CG2-CB 4.35Å; V361-K374 PolarHBondContact N-O 2.77Å; V361-K374 PolarHBondContact O-N 2.02Å; V361-K374 VanDerWaalsContact O-N 3.14Å; V361-Y376 HydrophobicContact CG1-CD2 4.25Å; V361-Y376 HydrophobicContact CG1-CE2 4.34Å; V361-Y376 HydrophobicContact CG2-CD2 4.24Å; V361-Y376 HydrophobicContact CG2-CE2 3.65Å; V361-I407 HydrophobicContact CG1-CD1 4.14Å; V361-I407 HydrophobicContact CG1-CG1 4.43Å; V361-I407 HydrophobicContact CG2-CG2 4.46Å; V361-V413 HydrophobicContact CB-CG1 3.93Å; V361-V413 HydrophobicContact CB-CG2 4.42Å; V361-V413 HydrophobicContact CG2-CG1 3.86Å; V361-V413 HydrophobicContact CG2-CG2 4.14Å
362	G	95.4	Very high	90.3	Very high	5 Å²	5	52.4 Å²	52.4	5%	0.052	32%	0.32	C	S	.	.	S	Bend	trans	73.9	1.1	174.6	0	0	0	0	0	115.4	R372	G362-R372 PolarHBondContact O-NH1 3.3Å
363	E	95	Very high	90.8	Very high	14 Å²	14	49.9 Å²	49.9	7%	0.065	31%	0.308	C	S	.	.			trans	-61.4	141	172.5	-177.1	58.7	-94.8	0	0	110.9	R360 V361 N365 T366 E373 W439	R360-E363 WeakPolarHBondContact CD-OE2 3.14Å; R360-E363 HydrophobicContact CG-CB 4.03Å; R360-E363 IonicContact NH1-OE2 2.65Å; R360-E363 PolarHBondContact NH1-OE2 3.47Å; V361-E363 PolarHBondContact O-N 2.82Å; E363-N365 PolarHBondContact OE1-N 3.43Å; E363-T366 HydrophobicContact CG-CG2 4.13Å; E363-T366 PolarHBondContact OE1-N 2.86Å; E363-E373 HydrophobicContact CB-CG 4.44Å; E363-W439 HydrophobicContact CB-CH2 4.05Å; E363-W439 HydrophobicContact CB-CZ2 3.84Å; E363-W439 HydrophobicContact CG-CH2 4.14Å; E363-W439 HydrophobicContact CG-CZ2 3.6Å; E363-W439 WeakPolarHBondContact O-CZ2 3.24Å
364	H	93.4	Very high	91.6	Very high	21 Å²	21	53.1 Å²	53.1	10%	0.097	32%	0.319	C	S	.	.			trans	-142.5	-45.1	174.1	170.7	64.4	0	0	0	111.4	V312 E370 W439 I451 L452	V312-H364 PolarHBondContact O-CE1 3.36Å; H364-E370 WeakPolarHBondContact CB-OE2 3.43Å; H364-E370 IonicContact CD2-OE1 3.83Å; H364-E370 IonicContact CD2-OE2 3.91Å; H364-W439 PolarHBondContact O-NE1 2.83Å; H364-I451 CarbonylContact O-C 3.53Å; H364-I451 WeakPolarHBondContact O-CA 3.42Å; H364-L452 PolarHBondContact O-N 2.91Å
365	N	92.6	Very high	93	Very high	27 Å²	27	51.3 Å²	51.3	14%	0.144	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-118.7	106.2	171.7	-176.3	-5.4	0	0	0	112	E363 E367 I368 N450 I451	E363-N365 PolarHBondContact OE1-N 3.43Å; N365-E367 PolarHBondContact O-N 3Å; N365-E367 PolarHBondContact OD1-N 3.39Å; N365-I368 HydrophobicContact CB-CD1 4.16Å; N365-I368 HydrophobicContact CB-CG1 3.78Å; N365-I368 PolarHBondContact O-N 3.49Å; N365-I368 VanDerWaalsContact O-N 3.11Å; N365-N450 CarbonylContact C-O 3.52Å; N365-N450 VanDerWaalsContact CA-O 3.28Å; N365-N450 WeakPolarHBondContact CA-O 3.22Å; N365-I451 HydrophobicContact CB-CG1 4.39Å
366	T	89.9	Confident	93.8	Very high	55 Å²	55	49.2 Å²	49.2	34%	0.337	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-9.6	-173.1	64.1	0	0	0	0	115.1	L331 E363 W439 N450	L331-T366 HydrophobicContact CD1-CG2 4.23Å; E363-T366 HydrophobicContact CG-CG2 4.13Å; E363-T366 PolarHBondContact OE1-N 2.86Å; T366-W439 HydrophobicContact CG2-CD2 4.5Å; T366-W439 HydrophobicContact CG2-CG 4.06Å; T366-N450 PolarHBondContact N-O 3.19Å; T366-N450 WeakPolarHBondContact OG1-CA 3.21Å; T366-N450 PolarHBondContact OG1-O 3.23Å
367	E	89	Confident	94.2	Very high	137 Å²	137	49.8 Å²	49.8	64%	0.64	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-18	176.9	-76.5	-178.6	153.7	0	0	113.7	N365 N450	N365-E367 PolarHBondContact O-N 3Å; N365-E367 PolarHBondContact OD1-N 3.39Å; E367-N450 HydrophobicContact CG-CB 3.89Å; E367-N450 PolarHBondContact OE1-ND2 3.2Å; E367-N450 PolarHBondContact OE2-ND2 3.19Å
368	I	90.9	Very high	94.2	Very high	89 Å²	89	50.7 Å²	50.7	46%	0.456	27%	0.271	S	S	.	.	S	Bend	trans	-130.1	156.1	-175.1	61.9	173.1	0	0	0	110.3	N365 E370	N365-I368 HydrophobicContact CB-CD1 4.16Å; N365-I368 HydrophobicContact CB-CG1 3.78Å; N365-I368 PolarHBondContact O-N 3.49Å; N365-I368 VanDerWaalsContact O-N 3.11Å; I368-E370 HydrophobicContact CD1-CG 3.84Å; I368-E370 HydrophobicContact CG1-CG 3.88Å
369	T	89.9	Confident	94.1	Very high	127 Å²	127	55.4 Å²	55.4	78%	0.779	30%	0.295	S	S	*	.			trans	-100.1	111.7	169.9	-53.5	0	0	0	0	108.2	G371	T369-G371 VanDerWaalsContact C-N 3.33Å
370	E	90.6	Very high	94	Very high	68 Å²	68	58.3 Å²	58.3	32%	0.318	31%	0.309	S	S	.	.			trans	-89.2	-3.5	-176.7	-52.2	177.1	94.6	0	0	112.5	H364 I368 R372 E373	H364-E370 WeakPolarHBondContact CB-OE2 3.43Å; H364-E370 IonicContact CD2-OE1 3.83Å; H364-E370 IonicContact CD2-OE2 3.91Å; I368-E370 HydrophobicContact CD1-CG 3.84Å; I368-E370 HydrophobicContact CG1-CG 3.88Å; E370-R372 VanDerWaalsContact C-N 3.34Å; E370-R372 IonicContact OE1-NH2 2.97Å; E370-R372 PolarHBondContact OE1-NH2 3.13Å; E370-R372 IonicContact OE2-CZ 3.57Å; E370-R372 IonicContact OE2-NH1 3.7Å; E370-R372 IonicContact OE2-NH2 2.73Å; E370-R372 PolarHBondContact OE2-NH2 3.14Å; E370-E373 WeakPolarHBondContact CA-OE1 3.37Å; E370-E373 WeakPolarHBondContact CB-OE1 3.34Å; E370-E373 WeakPolarHBondContact CG-OE1 3.19Å; E370-E373 VanDerWaalsContact N-CD 3.31Å; E370-E373 PolarHBondContact N-OE1 2.98Å; E370-E373 PolarHBondContact N-OE2 3.01Å
371	G	90.3	Very high	93.9	Very high	71 Å²	71	60.1 Å²	60.1	73%	0.732	32%	0.319	S	S	*	.	S	Bend	trans	85.9	4.2	177.1	0	0	0	0	0	114	T369 E373	T369-G371 VanDerWaalsContact C-N 3.33Å; G371-E373 PolarHBondContact N-OE2 2.89Å
372	R	91.7	Very high	93.8	Very high	75 Å²	75	61.6 Å²	61.6	28%	0.283	33%	0.326	S	S	.	.			trans	-103.4	-15.3	177	-68.2	-179.5	-80	94.7	-3	112.4	G362 E370	G362-R372 PolarHBondContact O-NH1 3.3Å; E370-R372 VanDerWaalsContact C-N 3.34Å; E370-R372 IonicContact OE1-NH2 2.97Å; E370-R372 PolarHBondContact OE1-NH2 3.13Å; E370-R372 IonicContact OE2-CZ 3.57Å; E370-R372 IonicContact OE2-NH1 3.7Å; E370-R372 IonicContact OE2-NH2 2.73Å; E370-R372 PolarHBondContact OE2-NH2 3.14Å
373	E	94.8	Very high	93.9	Very high	34 Å²	34	64.1 Å²	64.1	16%	0.159	34%	0.342	C	S	.	.			trans	-73.5	135.2	-176.5	-54.7	80.4	-176.1	0	0	110.1	R360 V361 E363 E370 G371	R360-E373 HydrophobicContact CG-CB 4.38Å; V361-E373 WeakPolarHBondContact O-CA 3.48Å; E363-E373 HydrophobicContact CB-CG 4.44Å; E370-E373 WeakPolarHBondContact CA-OE1 3.37Å; E370-E373 WeakPolarHBondContact CB-OE1 3.34Å; E370-E373 WeakPolarHBondContact CG-OE1 3.19Å; E370-E373 VanDerWaalsContact N-CD 3.31Å; E370-E373 PolarHBondContact N-OE1 2.98Å; E370-E373 PolarHBondContact N-OE2 3.01Å; G371-E373 PolarHBondContact N-OE2 2.89Å
374	K	96.6	Very high	94	Very high	87 Å²	87	64.5 Å²	64.5	38%	0.378	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	134	171.8	-173.7	168.7	167.6	-163.1	0	110.8	R360 V361 Y376	R360-K374 WeakPolarHBondContact CA-O 3.32Å; V361-K374 HydrophobicContact CG2-CB 4.35Å; V361-K374 PolarHBondContact N-O 2.77Å; V361-K374 PolarHBondContact O-N 2.02Å; V361-K374 VanDerWaalsContact O-N 3.14Å; K374-Y376 HydrophobicContact CB-CE2 3.91Å; K374-Y376 HydrophobicContact CD-CE1 4.47Å; K374-Y376 HydrophobicContact CD-CE2 3.95Å; K374-Y376 VanDerWaalsContact CD-OH 3.31Å; K374-Y376 WeakPolarHBondContact CD-OH 3.48Å; K374-Y376 WeakPolarHBondContact CE-OH 3.38Å; K374-Y376 HydrophobicContact CG-CD2 4.33Å; K374-Y376 HydrophobicContact CG-CE2 3.67Å; K374-Y376 PolarHBondContact NZ-OH 2.87Å
375	D	96.9	Very high	94.1	Very high	71 Å²	71	68.7 Å²	68.7	38%	0.38	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	130.4	178.3	-71.8	-11	0	0	0	110.5	V359 R360	V359-D375 CarbonylContact O-C 3.55Å; V359-D375 WeakPolarHBondContact O-CA 3.45Å; R360-D375 WeakPolarHBondContact CB-OD1 3.39Å; R360-D375 VanDerWaalsContact CG-OD1 3.24Å; R360-D375 WeakPolarHBondContact CG-OD1 3.31Å; R360-D375 IonicContact CZ-OD1 3.78Å; R360-D375 IonicContact CZ-OD2 3.94Å; R360-D375 IonicContact NE-OD1 3.76Å; R360-D375 PolarHBondContact NE-OD1 3.44Å; R360-D375 IonicContact NE-OD2 2.72Å; R360-D375 IonicContact NH2-OD1 3.81Å; R360-D375 PolarHBondContact NH2-OD1 2.96Å; R360-D375 IonicContact NH2-OD2 3.44Å; R360-D375 PolarHBondContact NH2-OD2 2.74Å
376	Y	97.9	Very high	94.3	Very high	5 Å²	5	75.8 Å²	75.8	2%	0.02	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	135.6	176.7	-68	-95.2	0	0	0	110	S358 V359 V361 K374 L403 E405 P406 I407 S408	S358-Y376 WeakPolarHBondContact CA-O 3.02Å; S358-Y376 WeakPolarHBondContact CB-O 3.28Å; V359-Y376 PolarHBondContact N-O 3.44Å; V359-Y376 PolarHBondContact O-N 3.27Å; V361-Y376 HydrophobicContact CG1-CD2 4.25Å; V361-Y376 HydrophobicContact CG1-CE2 4.34Å; V361-Y376 HydrophobicContact CG2-CD2 4.24Å; V361-Y376 HydrophobicContact CG2-CE2 3.65Å; K374-Y376 HydrophobicContact CB-CE2 3.91Å; K374-Y376 HydrophobicContact CD-CE1 4.47Å; K374-Y376 HydrophobicContact CD-CE2 3.95Å; K374-Y376 VanDerWaalsContact CD-OH 3.31Å; K374-Y376 WeakPolarHBondContact CD-OH 3.48Å; K374-Y376 WeakPolarHBondContact CE-OH 3.38Å; K374-Y376 HydrophobicContact CG-CD2 4.33Å; K374-Y376 HydrophobicContact CG-CE2 3.67Å; K374-Y376 PolarHBondContact NZ-OH 2.87Å; Y376-L403 HydrophobicContact CG-CD1 4.26Å; Y376-E405 HydrophobicContact CD1-CB 4.1Å; Y376-E405 HydrophobicContact CE1-CB 4.3Å; Y376-P406 WeakPolarHBondContact CE1-O 3.26Å; Y376-I407 HydrophobicContact CD1-CG1 4.44Å; Y376-I407 HydrophobicContact CD2-CG1 4.31Å; Y376-I407 HydrophobicContact CE1-CG1 4.25Å; Y376-I407 HydrophobicContact CE2-CG1 4.1Å; Y376-I407 HydrophobicContact CG-CG1 4.48Å; Y376-I407 WeakPolarHBondContact OH-CA 3.42Å; Y376-S408 PolarHBondContact OH-N 2.99Å
377	E	97.3	Very high	94.6	Very high	93 Å²	93	74.8 Å²	74.8	44%	0.435	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	139.6	172.6	-61.6	-167.1	147.1	0	0	110.9	K326 K404	K326-E377 IonicContact NZ-OE1 3.69Å; E377-K404 HydrophobicContact CB-CB 4.21Å; E377-K404 HydrophobicContact CB-CD 4.17Å; E377-K404 PolarHBondContact O-N 3.16Å; E377-K404 WeakPolarHBondContact OE2-CD 3.19Å; E377-K404 IonicContact OE2-NZ 3.52Å; E377-K404 PolarHBondContact OE2-NZ 3.07Å
378	V	96.4	Very high	94.9	Very high	31 Å²	31	71.7 Å²	71.7	19%	0.188	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	123.5	171.6	-178.1	0	0	0	0	108.4	F357 V359 E381 L401 L403	F357-V378 HydrophobicContact CD2-CG2 4.26Å; F357-V378 HydrophobicContact CE2-CG2 3.68Å; F357-V378 HydrophobicContact CZ-CG2 4.11Å; V359-V378 HydrophobicContact CG2-CG2 3.85Å; V378-E381 HydrophobicContact CG1-CG 3.76Å; V378-L401 HydrophobicContact CG1-CB 4.38Å; V378-L401 HydrophobicContact CG1-CD2 4.08Å; V378-L401 HydrophobicContact CG2-CD1 4.37Å; V378-L403 HydrophobicContact CG2-CD2 4.41Å
379	L	95.1	Very high	94.9	Very high	100 Å²	100	68 Å²	68	52%	0.524	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-41.1	175	-179.6	64	0	0	0	111.2	Y402 K404	L379-Y402 HydrophobicContact CB-CD1 4.16Å; L379-Y402 HydrophobicContact CD2-CD1 3.88Å; L379-Y402 HydrophobicContact CD2-CE1 3.91Å; L379-Y402 HydrophobicContact CG-CD1 4.44Å; L379-Y402 PolarHBondContact N-O 3.05Å; L379-K404 HydrophobicContact CB-CB 4.19Å
380	E	94.4	Very high	95	Very high	61 Å²	61	67.4 Å²	67.4	29%	0.285	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	135.2	-178.4	-167	-177.8	161.8	0	0	110.8	Q382 Y402	E380-Q382 HydrophobicContact CG-CG 4.07Å; E380-Q382 PolarHBondContact OE1-NE2 2.66Å; E380-Y402 PolarHBondContact N-O 3.23Å; E380-Y402 PolarHBondContact O-N 3.12Å
381	E	95.5	Very high	94.9	Very high	88 Å²	88	71.2 Å²	71.2	41%	0.411	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	123.4	173.9	-65.9	174.1	-153.5	0	0	109.3	L350 F357 V378 P383 L401	L350-E381 HydrophobicContact CD1-CB 4.05Å; L350-E381 HydrophobicContact CD2-CG 4.46Å; F357-E381 VanDerWaalsContact CE1-OE1 3.25Å; F357-E381 WeakPolarHBondContact CE1-OE1 3.49Å; F357-E381 HydrophobicContact CZ-CG 4.38Å; V378-E381 HydrophobicContact CG1-CG 3.76Å; E381-P383 WeakPolarHBondContact O-CD 3.34Å; E381-L401 HydrophobicContact CB-CD2 4.41Å; E381-L401 HydrophobicContact CG-CD2 3.91Å
382	Q	95.8	Very high	94.9	Very high	34 Å²	34	69.9 Å²	69.9	16%	0.159	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	81	-177.8	-64.7	-170.6	-21.1	0	0	110.3	E380 A399 L400 T544	E380-Q382 HydrophobicContact CG-CG 4.07Å; E380-Q382 PolarHBondContact OE1-NE2 2.66Å; Q382-A399 WeakPolarHBondContact O-CA 3.21Å; Q382-L400 HydrophobicContact CB-CB 4.31Å; Q382-L400 PolarHBondContact N-O 2.91Å; Q382-L400 PolarHBondContact O-N 3.3Å; Q382-T544 PolarHBondContact NE2-OG1 3.3Å
383	P	96.9	Very high	94.8	Very high	59 Å²	59	69.6 Å²	69.6	38%	0.383	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	149.2	167	28.4	-33.7	0	0	0	109.9	A347 L350 E381 Y387 A399	A347-P383 HydrophobicContact CB-CB 4.23Å; L350-P383 HydrophobicContact CD1-CB 4.34Å; E381-P383 WeakPolarHBondContact O-CD 3.34Å; P383-Y387 HydrophobicContact CB-CD1 4.24Å; P383-A399 HydrophobicContact CB-CB 4.45Å
384	H	97.6	Very high	94.7	Very high	22 Å²	22	71.6 Å²	71.6	10%	0.102	36%	0.362	C	S	.	.			trans	-56.7	136.7	177.8	-173.1	-92.7	0	0	0	111	R386 Y387 I398 Y533 W536	H384-R386 PolarHBondContact ND1-N 3.19Å; H384-R386 VanDerWaalsContact ND1-N 3.19Å; H384-R386 PolarHBondContact O-N 2.98Å; H384-Y387 WeakPolarHBondContact O-CB 3.39Å; H384-Y387 PolarHBondContact O-N 3.49Å; H384-I398 HydrophobicContact CB-CG2 3.67Å; H384-I398 WeakPolarHBondContact CB-O 3.47Å; H384-I398 PolarHBondContact N-O 3.03Å; H384-Y533 AromaticContact CD2-CD1 3.42Å; H384-Y533 VanDerWaalsContact CD2-CD1 3.42Å; H384-Y533 WeakPolarHBondContact CD2-CD1 3.34Å; H384-Y533 AromaticContact CD2-CE1 3.61Å; H384-Y533 AromaticContact CE1-CE1 3.84Å; H384-Y533 AromaticContact CG-CE1 3.87Å; H384-Y533 AromaticContact ND1-CE1 4Å; H384-Y533 AromaticContact NE2-CD1 3.51Å; H384-Y533 AromaticContact NE2-CE1 3.6Å; H384-W536 HydrophobicContact CB-CH2 4.29Å; H384-W536 HydrophobicContact CB-CZ2 4.24Å; H384-W536 AromaticContact CD2-CD2 3.46Å; H384-W536 VanDerWaalsContact CD2-CD2 3.46Å; H384-W536 AromaticContact CD2-CE2 3.7Å; H384-W536 AromaticContact CD2-CE3 3.75Å; H384-W536 AromaticContact CD2-CG 3.72Å; H384-W536 AromaticContact NE2-CG 3.97Å
385	P	96.4	Very high	94.6	Very high	108 Å²	108	69.3 Å²	69.3	70%	0.701	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-20.5	-174.6	-27.6	34.8	0	0	0	115.6
386	R	96.9	Very high	94.6	Very high	176 Å²	176	66.9 Å²	66.9	66%	0.664	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-2.2	175.6	-59.5	179.2	63.7	144.6	4.4	113.7	H384 N388 H396	H384-R386 PolarHBondContact ND1-N 3.19Å; H384-R386 VanDerWaalsContact ND1-N 3.19Å; H384-R386 PolarHBondContact O-N 2.98Å; R386-N388 PolarHBondContact O-N 3.16Å; R386-H396 HydrophobicContact CB-CB 4.37Å; R386-H396 VanDerWaalsContact CB-CD2 3.47Å; R386-H396 WeakPolarHBondContact CB-CD2 3.46Å; R386-H396 PolarHBondContact NE-NE2 3.38Å; R386-H396 PolarHBondContact O-CD2 3.25Å
387	Y	96.4	Very high	94.6	Very high	35 Å²	35	66.6 Å²	66.6	14%	0.137	34%	0.339	C	S	.	.			trans	-68.2	124.2	174.3	-179.8	-114	0	0	0	109.2	A347 H348 P383 H384 A389 I393 N395 H396 D397	A347-Y387 HydrophobicContact CB-CD1 3.61Å; A347-Y387 HydrophobicContact CB-CD2 3.73Å; A347-Y387 HydrophobicContact CB-CE1 3.59Å; A347-Y387 HydrophobicContact CB-CE2 3.71Å; A347-Y387 HydrophobicContact CB-CG 3.66Å; H348-Y387 VanDerWaalsContact CA-OH 3.24Å; H348-Y387 WeakPolarHBondContact CA-OH 3.45Å; H348-Y387 PolarHBondContact N-OH 3.15Å; P383-Y387 HydrophobicContact CB-CD1 4.24Å; H384-Y387 WeakPolarHBondContact O-CB 3.39Å; H384-Y387 PolarHBondContact O-N 3.49Å; Y387-A389 HydrophobicContact CE1-CB 3.85Å; Y387-A389 HydrophobicContact CE2-CB 4.39Å; Y387-A389 WeakPolarHBondContact OH-CB 3.44Å; Y387-I393 VanDerWaalsContact CE2-O 3.26Å; Y387-I393 WeakPolarHBondContact CE2-O 3.45Å; Y387-I393 PolarHBondContact OH-O 2.94Å; Y387-N395 WeakPolarHBondContact CD2-O 3.42Å; Y387-H396 WeakPolarHBondContact CD2-O 3.44Å; Y387-D397 HydrophobicContact CE2-CB 4.22Å
388	N	94.2	Very high	94.6	Very high	71 Å²	71	62.2 Å²	62.2	38%	0.38	32%	0.319	S	S	.	.	B	Isolated β-bridge	trans	-143.9	91.8	177.2	-172	-4.8	0	0	0	111.4	R386 T390 L391 D392	R386-N388 PolarHBondContact O-N 3.16Å; N388-T390 PolarHBondContact O-N 2.57Å; N388-T390 VanDerWaalsContact O-N 3.14Å; N388-T390 PolarHBondContact OD1-N 2.84Å; N388-T390 VanDerWaalsContact OD1-N 3.13Å; N388-T390 PolarHBondContact OD1-OG1 2.97Å; N388-L391 HydrophobicContact CB-CD1 4.4Å; N388-L391 WeakPolarHBondContact ND2-CD1 3.34Å; N388-L391 PolarHBondContact O-N 3.14Å; N388-D392 CarbonylContact C-O 3.51Å; N388-D392 PolarHBondContact O-N 2.96Å; N388-D392 VanDerWaalsContact O-O 3.07Å
389	A	91.4	Very high	94.7	Very high	12 Å²	12	60.7 Å²	60.7	10%	0.099	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	0.5	-178.4	0	0	0	0	0	115.6	R351 Y387 I393	R351-A389 VanDerWaalsContact CD-CB 3.49Å; Y387-A389 HydrophobicContact CE1-CB 3.85Å; Y387-A389 HydrophobicContact CE2-CB 4.39Å; Y387-A389 WeakPolarHBondContact OH-CB 3.44Å; A389-I393 HydrophobicContact CB-CB 4.29Å; A389-I393 HydrophobicContact CB-CG2 3.85Å; A389-I393 VanDerWaalsContact O-CG2 3.26Å; A389-I393 WeakPolarHBondContact O-CG2 3.4Å
390	T	91.1	Very high	94.9	Very high	115 Å²	115	56 Å²	56	71%	0.706	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-23.8	165.2	62.9	0	0	0	0	112.4	N388	N388-T390 PolarHBondContact O-N 2.57Å; N388-T390 VanDerWaalsContact O-N 3.14Å; N388-T390 PolarHBondContact OD1-N 2.84Å; N388-T390 VanDerWaalsContact OD1-N 3.13Å; N388-T390 PolarHBondContact OD1-OG1 2.97Å
391	L	89.7	Confident	95	Very high	147 Å²	147	53 Å²	53	77%	0.77	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-49.2	177.2	-64.4	177.9	0	0	0	111.3	N388	N388-L391 HydrophobicContact CB-CD1 4.4Å; N388-L391 WeakPolarHBondContact ND2-CD1 3.34Å; N388-L391 PolarHBondContact O-N 3.14Å
392	D	90.3	Very high	95.1	Very high	44 Å²	44	50 Å²	50	24%	0.235	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-157.6	114.6	-177.7	-176.7	-26.4	0	0	0	108	N388 Y394 N395	N388-D392 CarbonylContact C-O 3.51Å; N388-D392 PolarHBondContact O-N 2.96Å; N388-D392 VanDerWaalsContact O-O 3.07Å; D392-Y394 PolarHBondContact O-N 2.85Å; D392-Y394 PolarHBondContact OD1-N 3.46Å; D392-N395 HydrophobicContact CB-CB 3.84Å; D392-N395 VanDerWaalsContact CG-CB 3.48Å; D392-N395 PolarHBondContact OD1-N 3.01Å; D392-N395 WeakPolarHBondContact OD2-CB 3.42Å
393	I	90.3	Very high	95.2	Very high	69 Å²	69	48.3 Å²	48.3	35%	0.354	25%	0.248	S	C	.	.	S	Bend	trans	-70.4	-15.1	-176	61.3	172.1	0	0	0	113.5	Y387 A389	Y387-I393 VanDerWaalsContact CE2-O 3.26Å; Y387-I393 WeakPolarHBondContact CE2-O 3.45Å; Y387-I393 PolarHBondContact OH-O 2.94Å; A389-I393 HydrophobicContact CB-CB 4.29Å; A389-I393 HydrophobicContact CB-CG2 3.85Å; A389-I393 VanDerWaalsContact O-CG2 3.26Å; A389-I393 WeakPolarHBondContact O-CG2 3.4Å
394	Y	91.1	Very high	95.2	Very high	76 Å²	76	50.7 Å²	50.7	30%	0.298	25%	0.253	S	S	.	.	S	Bend	trans	-112.7	-15.6	-175.3	-57	-52.5	0	0	0	112.9	D392 D397 M477 W514	D392-Y394 PolarHBondContact O-N 2.85Å; D392-Y394 PolarHBondContact OD1-N 3.46Å; Y394-D397 WeakPolarHBondContact O-CB 3.4Å; Y394-D397 PolarHBondContact O-N 3.4Å; Y394-M477 VanDerWaalsContact O-CE 3.23Å; Y394-M477 WeakPolarHBondContact O-CE 3.42Å; Y394-W514 HydrophobicContact CD1-CB 3.73Å; Y394-W514 AromaticContact CD1-CD1 3.7Å; Y394-W514 AromaticContact CD1-CG 3.87Å; Y394-W514 HydrophobicContact CD1-CG 3.87Å; Y394-W514 HydrophobicContact CD2-CB 4.12Å; Y394-W514 AromaticContact CD2-CD1 3.76Å; Y394-W514 HydrophobicContact CD2-CD2 4.01Å; Y394-W514 AromaticContact CD2-CG 3.7Å; Y394-W514 HydrophobicContact CD2-CG 3.7Å; Y394-W514 HydrophobicContact CE1-CB 3.59Å; Y394-W514 HydrophobicContact CE1-CG 4.17Å; Y394-W514 HydrophobicContact CE2-CB 3.97Å; Y394-W514 HydrophobicContact CE2-CD2 4.31Å; Y394-W514 AromaticContact CE2-CG 3.99Å; Y394-W514 HydrophobicContact CE2-CG 3.99Å; Y394-W514 HydrophobicContact CG-CB 4Å; Y394-W514 AromaticContact CG-CD1 3.31Å; Y394-W514 HydrophobicContact CG-CD2 4.35Å; Y394-W514 AromaticContact CG-CG 3.63Å; Y394-W514 HydrophobicContact CG-CG 3.63Å; Y394-W514 AromaticContact CG-NE1 3.84Å
395	N	95.1	Very high	95.1	Very high	38 Å²	38	54.9 Å²	54.9	20%	0.203	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	131.2	175.6	-170	53.1	0	0	0	112.8	Y387 D392 D397 T474 V476 M477	Y387-N395 WeakPolarHBondContact CD2-O 3.42Å; D392-N395 HydrophobicContact CB-CB 3.84Å; D392-N395 VanDerWaalsContact CG-CB 3.48Å; D392-N395 PolarHBondContact OD1-N 3.01Å; D392-N395 WeakPolarHBondContact OD2-CB 3.42Å; N395-D397 PolarHBondContact O-N 2.86Å; N395-T474 WeakPolarHBondContact OD1-CG2 3.27Å; N395-T474 PolarHBondContact OD1-OG1 3.28Å; N395-V476 WeakPolarHBondContact OD1-CG2 3.32Å; N395-M477 HydrophobicContact CB-CE 4Å
396	H	96.9	Very high	95.2	Very high	20 Å²	20	52.2 Å²	52.2	9%	0.093	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	35.8	-168	-53.2	-74.4	0	0	0	114.2	R386 Y387 I398 Y533	R386-H396 HydrophobicContact CB-CB 4.37Å; R386-H396 VanDerWaalsContact CB-CD2 3.47Å; R386-H396 WeakPolarHBondContact CB-CD2 3.46Å; R386-H396 PolarHBondContact NE-NE2 3.38Å; R386-H396 PolarHBondContact O-CD2 3.25Å; Y387-H396 WeakPolarHBondContact CD2-O 3.44Å; H396-I398 VanDerWaalsContact C-N 3.31Å; H396-I398 PolarHBondContact O-N 3.2Å; H396-Y533 VanDerWaalsContact CA-OH 3.26Å; H396-Y533 WeakPolarHBondContact CA-OH 3.28Å; H396-Y533 HydrophobicContact CB-CE1 4.49Å; H396-Y533 AromaticContact ND1-CE1 3.81Å; H396-Y533 AromaticContact ND1-CZ 3.73Å; H396-Y533 PolarHBondContact ND1-OH 3.49Å
397	D	97.3	Very high	95.3	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.224	C	C	.	.			trans	-75	78.6	-179.3	-177	31.1	0	0	0	112.5	A347 H348 Y387 Y394 N395 S513 T528	A347-D397 WeakPolarHBondContact CA-OD1 3.22Å; A347-D397 PolarHBondContact N-OD1 2.89Å; H348-D397 IonicContact CE1-OD2 2.73Å; H348-D397 PolarHBondContact CE1-OD2 2.73Å; H348-D397 IonicContact CG-OD1 3.08Å; H348-D397 IonicContact CG-OD2 3.37Å; H348-D397 PolarHBondContact N-OD1 2.03Å; H348-D397 VanDerWaalsContact ND1-CG 3.33Å; H348-D397 IonicContact ND1-OD1 2.68Å; H348-D397 PolarHBondContact ND1-OD1 2.89Å; H348-D397 IonicContact ND1-OD2 3.21Å; H348-D397 PolarHBondContact ND1-OD2 3.38Å; Y387-D397 HydrophobicContact CE2-CB 4.22Å; Y394-D397 WeakPolarHBondContact O-CB 3.4Å; Y394-D397 PolarHBondContact O-N 3.4Å; N395-D397 PolarHBondContact O-N 2.86Å; D397-S513 WeakPolarHBondContact OD2-CB 3.34Å; D397-S513 PolarHBondContact OD2-OG 3.14Å; D397-T528 PolarHBondContact O-OG1 3.34Å
398	I	98.4	Very high	95.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.245	C	C	.	.			trans	-151.2	136.6	178.6	-177.2	172.1	0	0	0	110.1	I344 H384 H396 I511 T528 Y533 W536 I537	I344-I398 HydrophobicContact CD1-CD1 3.71Å; I344-I398 HydrophobicContact CD1-CG1 4.07Å; I344-I398 HydrophobicContact CG1-CD1 4.32Å; I344-I398 HydrophobicContact CG1-CG1 4.12Å; H384-I398 HydrophobicContact CB-CG2 3.67Å; H384-I398 WeakPolarHBondContact CB-O 3.47Å; H384-I398 PolarHBondContact N-O 3.03Å; H396-I398 VanDerWaalsContact C-N 3.31Å; H396-I398 PolarHBondContact O-N 3.2Å; I398-I511 HydrophobicContact CB-CD1 4.16Å; I398-I511 HydrophobicContact CD1-CD1 3.63Å; I398-I511 HydrophobicContact CG1-CD1 3.53Å; I398-T528 HydrophobicContact CB-CG2 4.14Å; I398-T528 HydrophobicContact CG2-CG2 4.45Å; I398-Y533 HydrophobicContact CD1-CD2 4.11Å; I398-Y533 HydrophobicContact CD1-CG 3.96Å; I398-Y533 HydrophobicContact CG2-CD1 3.81Å; I398-Y533 HydrophobicContact CG2-CD2 4.32Å; I398-Y533 HydrophobicContact CG2-CE1 3.73Å; I398-Y533 HydrophobicContact CG2-CE2 4.31Å; I398-Y533 HydrophobicContact CG2-CG 4.08Å; I398-W536 HydrophobicContact CD1-CZ3 3.99Å; I398-W536 HydrophobicContact CG1-CZ3 3.99Å; I398-W536 HydrophobicContact CG2-CZ3 4.26Å; I398-I537 HydrophobicContact CD1-CD1 4.25Å
399	A	98.1	Very high	95.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	150.4	176.9	0	0	0	0	0	111.8	I344 T345 A347 L350 Q382 P383	I344-A399 WeakPolarHBondContact CA-O 3.24Å; T345-A399 HydrophobicContact CG2-CB 4.35Å; T345-A399 PolarHBondContact N-O 3.22Å; T345-A399 PolarHBondContact O-N 3.08Å; A347-A399 HydrophobicContact CB-CB 4.16Å; L350-A399 HydrophobicContact CD1-CB 3.6Å; L350-A399 HydrophobicContact CG-CB 4.17Å; Q382-A399 WeakPolarHBondContact O-CA 3.21Å; P383-A399 HydrophobicContact CB-CB 4.45Å
400	L	98.4	Very high	95.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	138.6	169.6	-66.4	173.7	0	0	0	109.8	L338 W342 V343 I344 Q382 W536 I537 A540	L338-L400 HydrophobicContact CD1-CD2 3.67Å; W342-L400 HydrophobicContact CE3-CB 3.92Å; W342-L400 HydrophobicContact CE3-CD1 4.45Å; W342-L400 HydrophobicContact CZ3-CB 3.78Å; W342-L400 HydrophobicContact CZ3-CD1 4.29Å; V343-L400 WeakPolarHBondContact O-CA 3.33Å; I344-L400 HydrophobicContact CB-CD2 3.93Å; I344-L400 HydrophobicContact CD1-CD2 4.03Å; I344-L400 HydrophobicContact CG1-CD2 3.91Å; Q382-L400 HydrophobicContact CB-CB 4.31Å; Q382-L400 PolarHBondContact N-O 2.91Å; Q382-L400 PolarHBondContact O-N 3.3Å; L400-W536 HydrophobicContact CB-CH2 4.41Å; L400-W536 HydrophobicContact CD1-CH2 3.87Å; L400-W536 HydrophobicContact CD1-CZ2 4.21Å; L400-W536 HydrophobicContact CD1-CZ3 4.06Å; L400-W536 HydrophobicContact CG-CH2 3.67Å; L400-W536 HydrophobicContact CG-CZ2 4.38Å; L400-W536 HydrophobicContact CG-CZ3 3.97Å; L400-I537 HydrophobicContact CD2-CG2 4.41Å; L400-A540 HydrophobicContact CD1-CB 3.68Å
401	L	98.1	Very high	95.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	122.8	175.1	-58.1	179.7	0	0	0	108.2	L323 W342 V343 T345 L350 F357 V359 V378 E381	L323-L401 HydrophobicContact CD2-CD1 3.82Å; W342-L401 WeakPolarHBondContact CA-O 3.41Å; V343-L401 HydrophobicContact CB-CB 4.21Å; V343-L401 HydrophobicContact CG1-CD1 4.24Å; V343-L401 PolarHBondContact N-O 3.06Å; V343-L401 PolarHBondContact O-N 3.1Å; T345-L401 HydrophobicContact CG2-CD1 4Å; T345-L401 HydrophobicContact CG2-CG 4.13Å; L350-L401 HydrophobicContact CD2-CD2 3.71Å; F357-L401 HydrophobicContact CE2-CD1 3.96Å; F357-L401 HydrophobicContact CE2-CD2 4.43Å; F357-L401 HydrophobicContact CZ-CD1 4.44Å; F357-L401 HydrophobicContact CZ-CD2 4.11Å; V359-L401 HydrophobicContact CG2-CD1 3.84Å; V378-L401 HydrophobicContact CG1-CB 4.38Å; V378-L401 HydrophobicContact CG1-CD2 4.08Å; V378-L401 HydrophobicContact CG2-CD1 4.37Å; E381-L401 HydrophobicContact CB-CD2 4.41Å; E381-L401 HydrophobicContact CG-CD2 3.91Å
402	Y	97.3	Very high	95.8	Very high	23 Å²	23	37.6 Å²	37.6	9%	0.09	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	123.9	171.3	-170.6	-104.2	0	0	0	109.9	R341 W342 L379 E380 T544 L548	R341-Y402 HydrophobicContact CB-CD2 4.13Å; R341-Y402 HydrophobicContact CB-CE2 3.66Å; R341-Y402 VanDerWaalsContact CD-OH 3.25Å; R341-Y402 WeakPolarHBondContact CD-OH 3.32Å; R341-Y402 WeakPolarHBondContact O-CA 3.44Å; W342-Y402 AromaticContact CD2-CD2 3.85Å; W342-Y402 HydrophobicContact CD2-CD2 3.85Å; W342-Y402 AromaticContact CE2-CD2 3.44Å; W342-Y402 VanDerWaalsContact CE2-CD2 3.44Å; W342-Y402 AromaticContact CE2-CE2 3.92Å; W342-Y402 HydrophobicContact CE3-CD2 4.21Å; W342-Y402 HydrophobicContact CG-CD2 4.47Å; W342-Y402 AromaticContact CH2-CD2 3.93Å; W342-Y402 HydrophobicContact CH2-CD2 3.93Å; W342-Y402 HydrophobicContact CH2-CG 4.39Å; W342-Y402 AromaticContact CZ2-CD2 3.49Å; W342-Y402 HydrophobicContact CZ2-CD2 3.49Å; W342-Y402 VanDerWaalsContact CZ2-CD2 3.49Å; W342-Y402 HydrophobicContact CZ2-CE2 4.06Å; W342-Y402 HydrophobicContact CZ2-CG 4.36Å; W342-Y402 HydrophobicContact CZ3-CD2 4.25Å; W342-Y402 AromaticContact NE1-CD2 3.81Å; W342-Y402 AromaticContact NE1-CE2 3.85Å; L379-Y402 HydrophobicContact CB-CD1 4.16Å; L379-Y402 HydrophobicContact CD2-CD1 3.88Å; L379-Y402 HydrophobicContact CD2-CE1 3.91Å; L379-Y402 HydrophobicContact CG-CD1 4.44Å; L379-Y402 PolarHBondContact N-O 3.05Å; E380-Y402 PolarHBondContact N-O 3.23Å; E380-Y402 PolarHBondContact O-N 3.12Å; Y402-T544 HydrophobicContact CD2-CG2 4.21Å; Y402-T544 HydrophobicContact CE2-CG2 4.3Å; Y402-T544 HydrophobicContact CG-CG2 4.31Å; Y402-L548 HydrophobicContact CD1-CD1 4.16Å; Y402-L548 HydrophobicContact CE1-CD1 3.28Å; Y402-L548 HydrophobicContact CE2-CD1 4.3Å; Y402-L548 WeakPolarHBondContact OH-CD1 3.41Å
403	L	97.6	Very high	96.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	140.3	-175.6	-56.3	179.7	0	0	0	111.8	R341 V343 V359 Y376 V378 E405 I407	R341-L403 PolarHBondContact NH1-O 3.22Å; R341-L403 PolarHBondContact O-N 3.25Å; V343-L403 HydrophobicContact CG2-CD1 4.1Å; V359-L403 HydrophobicContact CB-CD2 4.08Å; V359-L403 HydrophobicContact CG2-CD2 3.81Å; Y376-L403 HydrophobicContact CG-CD1 4.26Å; V378-L403 HydrophobicContact CG2-CD2 4.41Å; L403-E405 VanDerWaalsContact C-N 3.3Å; L403-E405 WeakPolarHBondContact CB-O 3.06Å; L403-E405 PolarHBondContact O-N 2.98Å; L403-I407 HydrophobicContact CD1-CD1 3.53Å; L403-I407 HydrophobicContact CD1-CG1 3.62Å
404	K	96.3	Very high	96.5	Very high	109 Å²	109	32.8 Å²	32.8	47%	0.474	18%	0.178	S	C	.	.	S	Bend	trans	-61.1	-39.2	177.5	-173.4	174.6	173.6	-179.4	0	112.3	R341 E377 L379	R341-K404 VanDerWaalsContact NH1-C 3.35Å; R341-K404 PolarHBondContact NH1-O 3.36Å; E377-K404 HydrophobicContact CB-CB 4.21Å; E377-K404 HydrophobicContact CB-CD 4.17Å; E377-K404 PolarHBondContact O-N 3.16Å; E377-K404 WeakPolarHBondContact OE2-CD 3.19Å; E377-K404 IonicContact OE2-NZ 3.52Å; E377-K404 PolarHBondContact OE2-NZ 3.07Å; L379-K404 HydrophobicContact CB-CB 4.19Å
405	E	96.9	Very high	96.8	Very high	109 Å²	109	29.6 Å²	29.6	51%	0.509	17%	0.166	S	C	.	.	S	Bend	trans	-116.8	150.4	176.7	-69.1	-176.9	-173.6	0	0	111.2	Y376 L403	Y376-E405 HydrophobicContact CD1-CB 4.1Å; Y376-E405 HydrophobicContact CE1-CB 4.3Å; L403-E405 VanDerWaalsContact C-N 3.3Å; L403-E405 WeakPolarHBondContact CB-O 3.06Å; L403-E405 PolarHBondContact O-N 2.98Å
406	P	97.8	Very high	97	Very high	52 Å²	52	27.9 Å²	27.9	34%	0.338	16%	0.157	S	C	.	.			trans	-76.6	138.6	177	31.8	-27.2	0	0	0	110.8	E340 R341 Y376 S408	E340-P406 HydrophobicContact CB-CB 4.15Å; E340-P406 CarbonylContact O-C 3.59Å; E340-P406 WeakPolarHBondContact O-CA 3.42Å; R341-P406 HydrophobicContact CG-CB 3.99Å; Y376-P406 WeakPolarHBondContact CE1-O 3.26Å; P406-S408 PolarHBondContact O-N 3.14Å
407	I	98.2	Very high	97.1	Very high	5 Å²	5	26.9 Å²	26.9	3%	0.026	15%	0.153	C	C	.	.			trans	-66.1	125.8	174.1	-62.4	164.2	0	0	0	109.3	I337 E340 V343 V361 Y376 L403 F409 V413	I337-I407 HydrophobicContact CD1-CD1 4.27Å; I337-I407 HydrophobicContact CG1-CD1 4.24Å; I337-I407 HydrophobicContact CG2-CD1 3.95Å; E340-I407 WeakPolarHBondContact O-CB 3.25Å; E340-I407 WeakPolarHBondContact O-CG1 3.23Å; E340-I407 PolarHBondContact O-N 3.18Å; V343-I407 HydrophobicContact CG2-CD1 4.37Å; V361-I407 HydrophobicContact CG1-CD1 4.14Å; V361-I407 HydrophobicContact CG1-CG1 4.43Å; V361-I407 HydrophobicContact CG2-CG2 4.46Å; Y376-I407 HydrophobicContact CD1-CG1 4.44Å; Y376-I407 HydrophobicContact CD2-CG1 4.31Å; Y376-I407 HydrophobicContact CE1-CG1 4.25Å; Y376-I407 HydrophobicContact CE2-CG1 4.1Å; Y376-I407 HydrophobicContact CG-CG1 4.48Å; Y376-I407 WeakPolarHBondContact OH-CA 3.42Å; L403-I407 HydrophobicContact CD1-CD1 3.53Å; L403-I407 HydrophobicContact CD1-CG1 3.62Å; I407-F409 HydrophobicContact CB-CD1 4.47Å; I407-F409 HydrophobicContact CB-CE1 4.14Å; I407-F409 HydrophobicContact CG2-CD1 3.81Å; I407-F409 HydrophobicContact CG2-CE1 3.86Å; I407-F409 PolarHBondContact O-N 3.46Å; I407-V413 HydrophobicContact CG2-CG1 3.57Å
408	S	96.5	Very high	97.1	Very high	83 Å²	83	27.8 Å²	27.8	58%	0.58	16%	0.157	S	C	*	.			trans	-78.8	110.4	167.3	-50.4	0	0	0	0	109.6	Y376 P406	Y376-S408 PolarHBondContact OH-N 2.99Å; P406-S408 PolarHBondContact O-N 3.14Å
409	F	96.8	Very high	97	Very high	41 Å²	41	27.9 Å²	27.9	18%	0.18	16%	0.159	C	C	.	.			trans	-72.8	153.4	178.4	-64.7	-34.5	0	0	0	112.8	F219 I337 E340 I407 V413 P415	F219-F409 HydrophobicContact CB-CB 3.77Å; F219-F409 HydrophobicContact CB-CD2 4.01Å; F219-F409 HydrophobicContact CB-CG 4.2Å; F219-F409 HydrophobicContact CD1-CB 4.31Å; F219-F409 HydrophobicContact CD2-CB 3.5Å; F219-F409 HydrophobicContact CE2-CB 4.18Å; F219-F409 HydrophobicContact CG-CB 3.59Å; I337-F409 HydrophobicContact CG2-CE1 3.89Å; I337-F409 HydrophobicContact CG2-CZ 4.32Å; E340-F409 HydrophobicContact CB-CZ 4.41Å; E340-F409 HydrophobicContact CG-CD2 4.29Å; E340-F409 HydrophobicContact CG-CE2 3.58Å; E340-F409 HydrophobicContact CG-CZ 3.83Å; I407-F409 HydrophobicContact CB-CD1 4.47Å; I407-F409 HydrophobicContact CB-CE1 4.14Å; I407-F409 HydrophobicContact CG2-CD1 3.81Å; I407-F409 HydrophobicContact CG2-CE1 3.86Å; I407-F409 PolarHBondContact O-N 3.46Å; F409-V413 WeakPolarHBondContact CA-O 3.23Å; F409-V413 WeakPolarHBondContact CB-O 3.1Å; F409-V413 HydrophobicContact CD1-CG1 4.37Å; F409-P415 HydrophobicContact CE1-CG 4.49Å; F409-P415 HydrophobicContact CE2-CG 4.03Å; F409-P415 HydrophobicContact CZ-CB 4.27Å; F409-P415 HydrophobicContact CZ-CG 3.87Å
410	S	94.8	Very high	96.8	Very high	40 Å²	40	29.8 Å²	29.8	28%	0.28	17%	0.171	S	C	.	.			trans	-154.3	-173.2	-177.7	75.6	0	0	0	0	111.2	F219 T412 V413 R414	F219-S410 VanDerWaalsContact CE1-C 3.5Å; S410-T412 PolarHBondContact O-N 2.84Å; S410-T412 PolarHBondContact OG-N 3.45Å; S410-T412 PolarHBondContact OG-OG1 2.93Å; S410-V413 PolarHBondContact N-O 3.2Å; S410-V413 PolarHBondContact OG-N 3.43Å; S410-R414 WeakPolarHBondContact O-CG 3.37Å; S410-R414 PolarHBondContact O-NE 2.98Å
411	A	92.2	Very high	96.6	Very high	53 Å²	53	34.7 Å²	34.7	44%	0.438	20%	0.195	S	C	.	.	S	Bend	trans	-60.5	-28.7	172.3	0	0	0	0	0	113.2	G225	G225-A411 WeakPolarHBondContact CA-O 3.35Å
412	T	94.4	Very high	96.3	Very high	27 Å²	27	38 Å²	38	17%	0.166	22%	0.222	C	C	.	.	S	Bend	trans	-108.5	-3.6	-176.3	59.8	0	0	0	0	113.9	P318 S410	P318-T412 VanDerWaalsContact CA-O 3.31Å; P318-T412 WeakPolarHBondContact CA-O 3.06Å; P318-T412 VanDerWaalsContact CB-C 3.5Å; P318-T412 WeakPolarHBondContact CB-O 2.98Å; S410-T412 PolarHBondContact O-N 2.84Å; S410-T412 PolarHBondContact OG-N 3.45Å; S410-T412 PolarHBondContact OG-OG1 2.93Å
413	V	97.2	Very high	96.2	Very high	5 Å²	5	37.4 Å²	37.4	3%	0.03	22%	0.22	C	C	.	.			trans	-132.7	106.2	180	-175.6	0	0	0	0	109.1	P318 I337 V361 I407 F409 S410	P318-V413 WeakPolarHBondContact O-CA 3.35Å; I337-V413 HydrophobicContact CD1-CG1 3.66Å; V361-V413 HydrophobicContact CB-CG1 3.93Å; V361-V413 HydrophobicContact CB-CG2 4.42Å; V361-V413 HydrophobicContact CG2-CG1 3.86Å; V361-V413 HydrophobicContact CG2-CG2 4.14Å; I407-V413 HydrophobicContact CG2-CG1 3.57Å; F409-V413 WeakPolarHBondContact CA-O 3.23Å; F409-V413 WeakPolarHBondContact CB-O 3.1Å; F409-V413 HydrophobicContact CD1-CG1 4.37Å; S410-V413 PolarHBondContact N-O 3.2Å; S410-V413 PolarHBondContact OG-N 3.43Å
414	R	97.1	Very high	96.2	Very high	7 Å²	7	37.5 Å²	37.5	3%	0.026	22%	0.22	C	C	.	.			trans	-148.5	153.9	-174.3	-58.8	-178.1	175.1	-137.4	-4.6	111	F219 K223 P318 W319 S410	F219-R414 HydrophobicContact CD1-CG 4.36Å; K223-R414 WeakPolarHBondContact O-CD 3.5Å; P318-R414 CarbonylContact C-O 3.53Å; P318-R414 HydrophobicContact CB-CB 3.9Å; P318-R414 HydrophobicContact CB-CG 4.02Å; P318-R414 HydrophobicContact CG-CB 3.8Å; P318-R414 HydrophobicContact CG-CG 4.13Å; P318-R414 PolarHBondContact O-N 2.95Å; W319-R414 WeakPolarHBondContact CA-O 3.48Å; W319-R414 VanDerWaalsContact CB-O 3.23Å; W319-R414 WeakPolarHBondContact CB-O 3.49Å; W319-R414 PolarHBondContact N-O 3.43Å; S410-R414 WeakPolarHBondContact O-CG 3.37Å; S410-R414 PolarHBondContact O-NE 2.98Å
415	P	98.3	Very high	96.1	Very high	9 Å²	9	33.3 Å²	33.3	6%	0.058	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-77.2	152.2	177.9	28.6	-29.7	0	0	0	112.8	C221 G222 I337 F409	C221-P415 CarbonylContact C-O 3.52Å; C221-P415 VanDerWaalsContact CA-O 3.27Å; C221-P415 WeakPolarHBondContact CA-O 3.45Å; C221-P415 HydrophobicContact CB-CB 4.38Å; C221-P415 HydrophobicContact CB-CG 4.15Å; G222-P415 PolarHBondContact N-O 3.48Å; I337-P415 HydrophobicContact CG2-CB 4.07Å; I337-P415 CarbonylContact O-C 3.06Å; I337-P415 VanDerWaalsContact O-CA 3.3Å; I337-P415 WeakPolarHBondContact O-CA 3.33Å; F409-P415 HydrophobicContact CE1-CG 4.49Å; F409-P415 HydrophobicContact CE2-CG 4.03Å; F409-P415 HydrophobicContact CZ-CB 4.27Å; F409-P415 HydrophobicContact CZ-CG 3.87Å
416	I	98.6	Very high	95.9	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.01	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-88.4	148.6	166.6	-167.6	164.3	0	0	0	110.5	W319 I337 L338 A499 L508	W319-I416 HydrophobicContact CB-CB 3.8Å; W319-I416 HydrophobicContact CB-CG2 4.34Å; W319-I416 HydrophobicContact CD2-CB 3.84Å; W319-I416 HydrophobicContact CD2-CD1 4.07Å; W319-I416 HydrophobicContact CD2-CG1 4.1Å; W319-I416 HydrophobicContact CE3-CB 4.23Å; W319-I416 HydrophobicContact CE3-CG1 4.45Å; W319-I416 HydrophobicContact CG-CB 3.62Å; W319-I416 HydrophobicContact CG-CD1 4.2Å; W319-I416 HydrophobicContact CG-CG1 4.29Å; W319-I416 HydrophobicContact CG-CG2 4.4Å; W319-I416 HydrophobicContact CZ2-CD1 4.34Å; I337-I416 PolarHBondContact O-N 2.83Å; L338-I416 HydrophobicContact CD2-CG2 4.23Å; I416-A499 HydrophobicContact CD1-CB 3.66Å; I416-L508 HydrophobicContact CD1-CB 3.8Å; I416-L508 HydrophobicContact CD1-CD1 4.15Å; I416-L508 HydrophobicContact CG1-CB 4.11Å; I416-L508 HydrophobicContact CG2-CB 3.93Å; I416-L508 HydrophobicContact CG2-CD2 4.45Å
417	C	98.5	Very high	95.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-77	145.9	174.6	-62.1	0	0	0	0	111.7	A201 C221 T505 W506 F507 L508	A201-C417 HydrophobicContact CB-CB 4.27Å; C221-C417 HydrophobicContact CB-CB 4.03Å; C221-C417 WeakPolarHBondContact CB-SG 3.44Å; C221-C417 PolarHBondContact O-SG 3Å; C221-C417 WeakPolarHBondContact SG-CA 3.09Å; C221-C417 WeakPolarHBondContact SG-CB 3.44Å; C221-C417 CovalentContact SG-SG 2.04Å; C221-C417 PolarHBondContact SG-SG 3.31Å; C417-T505 HydrophobicContact CB-CG2 4.4Å; C417-T505 WeakPolarHBondContact SG-CG2 3.03Å; C417-W506 WeakPolarHBondContact CB-O 3.46Å; C417-W506 PolarHBondContact N-O 2.91Å; C417-F507 HydrophobicContact CB-CD1 3.41Å; C417-F507 VanDerWaalsContact CB-CD1 3.41Å; C417-F507 HydrophobicContact CB-CE1 3.5Å; C417-F507 HydrophobicContact CB-CG 4.15Å; C417-F507 HydrophobicContact CB-CZ 4.31Å; C417-F507 CarbonylContact O-C 3.38Å; C417-F507 VanDerWaalsContact O-CA 3.32Å; C417-F507 WeakPolarHBondContact O-CA 3.44Å; C417-L508 PolarHBondContact O-N 2.73Å
418	I	97.5	Very high	95.7	Very high	18 Å²	18	29.8 Å²	29.8	9%	0.092	18%	0.184	C	C	.	.			trans	-115.2	152	164.1	55.3	170.2	0	0	0	108.5	F187 L338 L508 Y534 I537 K538	F187-I418 WeakPolarHBondContact CZ-O 3.06Å; L338-I418 HydrophobicContact CD2-CG2 3.69Å; I418-L508 HydrophobicContact CG2-CB 4.24Å; I418-L508 HydrophobicContact CG2-CD2 4.44Å; I418-Y534 HydrophobicContact CB-CD2 4.4Å; I418-Y534 HydrophobicContact CB-CE2 4.39Å; I418-Y534 HydrophobicContact CD1-CD2 4.3Å; I418-Y534 HydrophobicContact CD1-CE2 4.16Å; I418-Y534 HydrophobicContact CG1-CD2 4.44Å; I418-Y534 HydrophobicContact CG1-CE2 4.09Å; I418-I537 HydrophobicContact CD1-CB 4.44Å; I418-I537 HydrophobicContact CD1-CG2 3.59Å; I418-K538 HydrophobicContact CD1-CD 4.32Å
419	G	95.7	Very high	95.5	Very high	3 Å²	3	32.1 Å²	32.1	3%	0.031	18%	0.184	C	C	.	.			trans	-139.4	163.7	-175.4	0	0	0	0	0	114	I424 Y534	G419-I424 WeakPolarHBondContact O-CG1 3.43Å; G419-Y534 VanDerWaalsContact C-CD2 3.42Å; G419-Y534 WeakPolarHBondContact O-CD2 3.49Å; G419-Y534 WeakPolarHBondContact O-CE2 3.17Å; G419-Y534 VanDerWaalsContact O-CG 3.26Å
420	P	95.4	Very high	95.4	Very high	40 Å²	40	33.5 Å²	33.5	26%	0.26	19%	0.191	S	C	.	.			trans	-55.2	152.2	175.4	-23.5	34.1	0	0	0	113	F187 A422 F423 I424 Y534	F187-P420 HydrophobicContact CB-CG 4.3Å; F187-P420 VanDerWaalsContact CD1-CD 3.47Å; F187-P420 HydrophobicContact CD1-CG 4.33Å; F187-P420 HydrophobicContact CD2-CG 4.33Å; F187-P420 HydrophobicContact CG-CG 4.07Å; P420-A422 PolarHBondContact O-N 3.36Å; P420-F423 PolarHBondContact O-N 2.99Å; P420-I424 PolarHBondContact O-N 3.47Å; P420-Y534 HydrophobicContact CB-CD1 4.42Å; P420-Y534 HydrophobicContact CB-CE1 4.15Å; P420-Y534 HydrophobicContact CG-CE1 3.99Å
421	M	93.9	Very high	95.1	Very high	103 Å²	103	38 Å²	38	51%	0.507	22%	0.22	S	C	.	.	H	α-helix	trans	-53.2	-50.6	-175.2	-175.3	-178.4	176	0	0	112.7	F423 I424 E425 V532	M421-F423 PolarHBondContact O-N 3.39Å; M421-I424 PolarHBondContact O-N 3.17Å; M421-E425 HydrophobicContact CE-CG 4.44Å; M421-E425 HydrophobicContact CG-CG 4.05Å; M421-E425 WeakPolarHBondContact O-CB 2.98Å; M421-E425 VanDerWaalsContact O-CG 3.24Å; M421-E425 WeakPolarHBondContact O-CG 3.17Å; M421-E425 PolarHBondContact O-N 3.31Å; M421-V532 HydrophobicContact CE-CG2 4.38Å
422	A	92.1	Very high	95.1	Very high	68 Å²	68	38 Å²	38	56%	0.562	22%	0.216	S	C	*	.	H	α-helix	trans	-55.7	-48.7	-178.8	0	0	0	0	0	112.3	P420 D426	P420-A422 PolarHBondContact O-N 3.36Å; A422-D426 PolarHBondContact O-N 3.22Å; A422-D426 VanDerWaalsContact O-N 3.09Å
423	F	94.9	Very high	95	Very high	11 Å²	11	39.3 Å²	39.3	5%	0.048	23%	0.225	C	C	.	.	H	α-helix	trans	-62.9	-47.2	179.3	173	-97.8	0	0	0	112.7	H186 F187 P420 M421 D426 L427 Y502 F507	H186-F423 WeakPolarHBondContact O-CD2 3.38Å; H186-F423 WeakPolarHBondContact O-CE2 3.44Å; F187-F423 HydrophobicContact CD1-CB 4.32Å; F187-F423 AromaticContact CD1-CD1 3.81Å; F187-F423 HydrophobicContact CD1-CD1 3.81Å; F187-F423 HydrophobicContact CD1-CD2 4.38Å; F187-F423 HydrophobicContact CD1-CE1 4.22Å; F187-F423 AromaticContact CD1-CG 3.89Å; F187-F423 HydrophobicContact CD1-CG 3.89Å; F187-F423 AromaticContact CE1-CD1 3.85Å; F187-F423 HydrophobicContact CE1-CD1 3.85Å; F187-F423 HydrophobicContact CE1-CE1 4.03Å; F187-F423 HydrophobicContact CE1-CG 4.41Å; P420-F423 PolarHBondContact O-N 2.99Å; M421-F423 PolarHBondContact O-N 3.39Å; F423-D426 PolarHBondContact O-N 3.06Å; F423-L427 HydrophobicContact CE1-CD2 4.11Å; F423-L427 HydrophobicContact CZ-CD2 4.34Å; F423-L427 WeakPolarHBondContact O-CB 3.32Å; F423-L427 PolarHBondContact O-N 3.39Å; F423-Y502 AromaticContact CE2-CD1 3.76Å; F423-Y502 HydrophobicContact CE2-CD1 3.76Å; F423-Y502 AromaticContact CE2-CE1 3.75Å; F423-Y502 HydrophobicContact CE2-CE1 3.75Å; F423-Y502 HydrophobicContact CE2-CG 4.26Å; F423-Y502 AromaticContact CZ-CD1 3.61Å; F423-Y502 HydrophobicContact CZ-CD1 3.61Å; F423-Y502 HydrophobicContact CZ-CE1 4.11Å; F423-Y502 AromaticContact CZ-CG 3.94Å; F423-Y502 HydrophobicContact CZ-CG 3.94Å; F423-F507 AromaticContact CE1-CD1 3.92Å; F423-F507 HydrophobicContact CE1-CD1 3.92Å; F423-F507 AromaticContact CE1-CD2 3.97Å; F423-F507 HydrophobicContact CE1-CD2 3.97Å; F423-F507 AromaticContact CE1-CE1 3.94Å; F423-F507 HydrophobicContact CE1-CE1 3.94Å; F423-F507 AromaticContact CE1-CE2 3.98Å; F423-F507 HydrophobicContact CE1-CE2 3.98Å; F423-F507 AromaticContact CE1-CG 3.95Å; F423-F507 HydrophobicContact CE1-CG 3.95Å; F423-F507 AromaticContact CE1-CZ 3.97Å; F423-F507 HydrophobicContact CE1-CZ 3.97Å; F423-F507 HydrophobicContact CZ-CD2 4.21Å; F423-F507 AromaticContact CZ-CE2 3.93Å; F423-F507 HydrophobicContact CZ-CE2 3.93Å; F423-F507 HydrophobicContact CZ-CZ 4.11Å
424	I	96.5	Very high	94.9	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-68.2	-39.1	-177.9	-63.9	-64	0	0	0	111.2	G419 P420 M421 D426 L427 V428 F507 T509	G419-I424 WeakPolarHBondContact O-CG1 3.43Å; P420-I424 PolarHBondContact O-N 3.47Å; M421-I424 PolarHBondContact O-N 3.17Å; I424-D426 VanDerWaalsContact C-N 3.35Å; I424-L427 PolarHBondContact O-N 3.32Å; I424-V428 HydrophobicContact CG2-CG2 4.26Å; I424-V428 WeakPolarHBondContact O-CB 3.46Å; I424-V428 VanDerWaalsContact O-CG2 3.25Å; I424-V428 WeakPolarHBondContact O-CG2 3.35Å; I424-V428 PolarHBondContact O-N 2.95Å; I424-F507 HydrophobicContact CD1-CB 3.86Å; I424-F507 HydrophobicContact CD1-CD1 4.3Å; I424-F507 HydrophobicContact CD1-CG 4.32Å; I424-T509 HydrophobicContact CG2-CG2 4.11Å
425	E	94.8	Very high	94.8	Very high	22 Å²	22	39.2 Å²	39.2	10%	0.103	23%	0.226	C	C	.	.	H	α-helix	trans	-62.6	-41.5	176.3	-74	-62.9	133.5	0	0	112.1	M421 K429 R529 S531	M421-E425 HydrophobicContact CE-CG 4.44Å; M421-E425 HydrophobicContact CG-CG 4.05Å; M421-E425 WeakPolarHBondContact O-CB 2.98Å; M421-E425 VanDerWaalsContact O-CG 3.24Å; M421-E425 WeakPolarHBondContact O-CG 3.17Å; M421-E425 PolarHBondContact O-N 3.31Å; E425-K429 WeakPolarHBondContact O-CD 3.48Å; E425-K429 VanDerWaalsContact O-CG 3.3Å; E425-K429 WeakPolarHBondContact O-CG 3.37Å; E425-K429 PolarHBondContact O-N 3.31Å; E425-R529 VanDerWaalsContact CD-NH1 3.35Å; E425-R529 VanDerWaalsContact OE1-CD 3.28Å; E425-R529 WeakPolarHBondContact OE1-CD 3.25Å; E425-R529 WeakPolarHBondContact OE1-CG 3.42Å; E425-R529 IonicContact OE1-NH1 3.99Å; E425-R529 PolarHBondContact OE1-NH1 3.33Å; E425-R529 IonicContact OE2-CZ 3.73Å; E425-R529 IonicContact OE2-NH1 2.81Å; E425-R529 PolarHBondContact OE2-NH1 3Å; E425-S531 WeakPolarHBondContact OE1-CB 3Å; E425-S531 PolarHBondContact OE1-OG 3.16Å
426	D	93.6	Very high	94.6	Very high	85 Å²	85	38.9 Å²	38.9	46%	0.455	22%	0.223	S	C	.	.	H	α-helix	trans	-68.9	-40.7	176.1	-69.1	-16.2	0	0	0	111.3	A422 F423 I424 V428 K429 Q430	A422-D426 PolarHBondContact O-N 3.22Å; A422-D426 VanDerWaalsContact O-N 3.09Å; F423-D426 PolarHBondContact O-N 3.06Å; I424-D426 VanDerWaalsContact C-N 3.35Å; D426-V428 PolarHBondContact O-N 2.85Å; D426-K429 PolarHBondContact O-N 3.37Å; D426-Q430 PolarHBondContact O-N 3.48Å
427	L	95	Very high	94.4	Very high	1 Å²	1	39 Å²	39	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-61.5	-43.6	176.2	178.7	58.6	0	0	0	112.4	F423 I424 K429 Q430 K500 Y502 F507 T509	F423-L427 HydrophobicContact CE1-CD2 4.11Å; F423-L427 HydrophobicContact CZ-CD2 4.34Å; F423-L427 WeakPolarHBondContact O-CB 3.32Å; F423-L427 PolarHBondContact O-N 3.39Å; I424-L427 PolarHBondContact O-N 3.32Å; L427-K429 VanDerWaalsContact C-N 3.28Å; L427-K429 PolarHBondContact O-N 2.86Å; L427-Q430 WeakPolarHBondContact O-CB 3.49Å; L427-Q430 PolarHBondContact O-N 2.98Å; L427-K500 HydrophobicContact CD1-CB 4.17Å; L427-K500 HydrophobicContact CD1-CD 4.25Å; L427-K500 HydrophobicContact CD2-CB 3.98Å; L427-K500 HydrophobicContact CG-CB 3.92Å; L427-K500 HydrophobicContact CG-CD 4.1Å; L427-K500 VanDerWaalsContact O-CD 3.22Å; L427-K500 WeakPolarHBondContact O-CD 3.47Å; L427-K500 PolarHBondContact O-NZ 3.18Å; L427-Y502 HydrophobicContact CD1-CD2 3.89Å; L427-Y502 HydrophobicContact CD1-CG 4.21Å; L427-F507 HydrophobicContact CD2-CB 3.96Å; L427-F507 HydrophobicContact CD2-CD2 4.12Å; L427-F507 HydrophobicContact CD2-CG 4.3Å; L427-T509 HydrophobicContact CD2-CG2 4.26Å
428	V	95.1	Very high	94.1	Very high	5 Å²	5	39.2 Å²	39.2	3%	0.03	23%	0.226	C	C	.	.	H	α-helix	trans	-62.2	-37.2	179.4	167.6	0	0	0	0	111.4	I424 D426 Q430 L459 K500 T509	I424-V428 HydrophobicContact CG2-CG2 4.26Å; I424-V428 WeakPolarHBondContact O-CB 3.46Å; I424-V428 VanDerWaalsContact O-CG2 3.25Å; I424-V428 WeakPolarHBondContact O-CG2 3.35Å; I424-V428 PolarHBondContact O-N 2.95Å; D426-V428 PolarHBondContact O-N 2.85Å; V428-Q430 VanDerWaalsContact C-N 3.32Å; V428-Q430 PolarHBondContact O-N 2.98Å; V428-L459 HydrophobicContact CG1-CD1 3.68Å; V428-L459 HydrophobicContact CG1-CD2 3.82Å; V428-L459 HydrophobicContact CG1-CG 4.2Å; V428-K500 PolarHBondContact O-NZ 2.97Å; V428-T509 VanDerWaalsContact CG2-CB 3.46Å; V428-T509 HydrophobicContact CG2-CG2 3.67Å
429	K	94.1	Very high	93.6	Very high	132 Å²	132	38.6 Å²	38.6	57%	0.574	22%	0.223	S	C	*	.	H	α-helix	trans	-74.7	-14.1	178.5	-68.1	168.7	-170.6	167.7	0	114.7	E425 D426 L427 L459	E425-K429 WeakPolarHBondContact O-CD 3.48Å; E425-K429 VanDerWaalsContact O-CG 3.3Å; E425-K429 WeakPolarHBondContact O-CG 3.37Å; E425-K429 PolarHBondContact O-N 3.31Å; D426-K429 PolarHBondContact O-N 3.37Å; L427-K429 VanDerWaalsContact C-N 3.28Å; L427-K429 PolarHBondContact O-N 2.86Å; K429-L459 HydrophobicContact CG-CD2 4.17Å
430	Q	92.9	Very high	92.6	Very high	71 Å²	71	38.5 Å²	38.5	33%	0.332	22%	0.221	S	C	.	.	S	Bend	trans	-60	147.1	175.9	-70.3	177	18.2	0	0	111.2	D426 L427 V428 S432 K500	D426-Q430 PolarHBondContact O-N 3.48Å; L427-Q430 WeakPolarHBondContact O-CB 3.49Å; L427-Q430 PolarHBondContact O-N 2.98Å; V428-Q430 VanDerWaalsContact C-N 3.32Å; V428-Q430 PolarHBondContact O-N 2.98Å; Q430-S432 PolarHBondContact O-N 2.98Å; Q430-K500 PolarHBondContact O-NZ 3.25Å
431	P	90.4	Very high	91.2	Very high	135 Å²	135	40.4 Å²	40.4	88%	0.877	22%	0.223	S	C	*	.	S	Bend	trans	-66.6	-22	-173.2	25.9	-35.5	0	0	0	114.1
432	S	90.9	Very high	89.4	Confident	51 Å²	51	36.1 Å²	36.1	36%	0.357	20%	0.203	S	C	.	.	S	Bend	trans	-60.5	135.7	176	59.4	0	0	0	0	110.3	Q430 K500	Q430-S432 PolarHBondContact O-N 2.98Å; S432-K500 WeakPolarHBondContact O-CE 3.37Å; S432-K500 PolarHBondContact O-NZ 3.05Å
433	P	91.8	Very high	87.5	Confident	56 Å²	56	40.6 Å²	40.6	36%	0.364	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-66.9	156.5	178.1	29.1	-35	0	0	0	111.3	E456	P433-E456 HydrophobicContact CB-CB 4Å; P433-E456 HydrophobicContact CG-CB 4.01Å; P433-E456 HydrophobicContact CG-CG 4.42Å
434	A	95.3	Very high	85.5	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.008	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	151.6	170.6	0	0	0	0	0	110.7	E456 V457 H498 K500	A434-E456 CarbonylContact O-C 3.44Å; A434-E456 VanDerWaalsContact O-CA 3.23Å; A434-E456 WeakPolarHBondContact O-CA 3.26Å; A434-V457 PolarHBondContact N-O 3.43Å; A434-V457 PolarHBondContact O-N 3.48Å; A434-H498 WeakPolarHBondContact CB-CE1 3.24Å; A434-H498 WeakPolarHBondContact CB-NE2 3.27Å; A434-K500 HydrophobicContact CB-CD 4.47Å; A434-K500 HydrophobicContact CB-CG 3.74Å
435	T	95.5	Very high	83.6	Confident	9 Å²	9	51 Å²	51	6%	0.055	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	129.8	173.3	-59.1	0	0	0	0	110.3	I317 K454 V455 A499 W506	I317-T435 HydrophobicContact CD1-CG2 4.22Å; T435-K454 HydrophobicContact CG2-CB 4Å; T435-K454 HydrophobicContact CG2-CD 3.9Å; T435-V455 WeakPolarHBondContact CA-O 3.42Å; T435-A499 PolarHBondContact N-O 2.8Å; T435-A499 PolarHBondContact O-N 2.04Å; T435-W506 WeakPolarHBondContact OG1-CH2 3.32Å
436	V	94.4	Very high	81.9	Confident	2 Å²	2	50.4 Å²	50.4	1%	0.012	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	140.5	169.9	-179.4	0	0	0	0	108.6	K454 V455 V457 A489 P497 H498 V512 Y527	V436-K454 CarbonylContact O-C 3.59Å; V436-K454 WeakPolarHBondContact O-CA 3.28Å; V436-K454 WeakPolarHBondContact O-CB 3.49Å; V436-V455 HydrophobicContact CB-CG1 4.11Å; V436-V455 PolarHBondContact N-O 3.37Å; V436-V455 PolarHBondContact O-N 3.35Å; V436-V457 HydrophobicContact CG2-CG2 3.64Å; V436-A489 HydrophobicContact CG1-CB 3.96Å; V436-P497 WeakPolarHBondContact CA-O 3.04Å; V436-H498 HydrophobicContact CG2-CB 4.04Å; V436-H498 VanDerWaalsContact CG2-CD2 3.48Å; V436-H498 WeakPolarHBondContact CG2-CD2 3.39Å; V436-V512 HydrophobicContact CG1-CG2 3.68Å; V436-Y527 HydrophobicContact CG1-CE1 4.23Å; V436-Y527 HydrophobicContact CG2-CE1 3.72Å
437	S	93.7	Very high	80.6	Confident	5 Å²	5	51.7 Å²	51.7	4%	0.035	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	151.8	-178.8	57.4	0	0	0	0	113.7	I317 Q320 Q453 P497	I317-S437 VanDerWaalsContact CD1-CB 3.41Å; Q320-S437 PolarHBondContact OE1-O 2.91Å; Q320-S437 PolarHBondContact OE1-OG 2.94Å; S437-Q453 VanDerWaalsContact CA-O 3.25Å; S437-Q453 WeakPolarHBondContact CA-O 3.45Å; S437-Q453 VanDerWaalsContact CB-O 3.32Å; S437-Q453 WeakPolarHBondContact CB-O 2.99Å; S437-P497 WeakPolarHBondContact OG-CG 3.48Å
438	G	92.1	Very high	79.7	Confident	3 Å²	3	55.2 Å²	55.2	3%	0.031	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.6	-174.5	177.2	0	0	0	0	0	113.2	Q453 D493	G438-Q453 PolarHBondContact N-O 2.91Å; G438-Q453 VanDerWaalsContact N-O 3.14Å; G438-Q453 PolarHBondContact O-N 2.82Å; G438-D493 WeakPolarHBondContact CA-OD1 3.07Å
439	W	88.6	Confident	79.1	Confident	6 Å²	6	55.2 Å²	55.2	2%	0.023	28%	0.282	C	S	.	.	S	Bend	trans	-107.9	16.3	179.3	-64	-91.8	0	0	0	112.2	Q320 L331 E363 H364 T366 T448 S449 L452 D493	Q320-W439 HydrophobicContact CB-CH2 4.45Å; Q320-W439 HydrophobicContact CG-CE3 4.42Å; Q320-W439 HydrophobicContact CG-CH2 3.4Å; Q320-W439 HydrophobicContact CG-CZ2 4.38Å; Q320-W439 HydrophobicContact CG-CZ3 3.42Å; Q320-W439 VanDerWaalsContact CG-CZ3 3.42Å; L331-W439 HydrophobicContact CD1-CB 4.34Å; L331-W439 HydrophobicContact CD1-CD2 3.84Å; L331-W439 HydrophobicContact CD1-CE3 3.6Å; L331-W439 HydrophobicContact CD1-CG 4.18Å; L331-W439 HydrophobicContact CD1-CZ3 4.12Å; L331-W439 HydrophobicContact CD2-CB 4.34Å; L331-W439 HydrophobicContact CD2-CE3 4.48Å; E363-W439 HydrophobicContact CB-CH2 4.05Å; E363-W439 HydrophobicContact CB-CZ2 3.84Å; E363-W439 HydrophobicContact CG-CH2 4.14Å; E363-W439 HydrophobicContact CG-CZ2 3.6Å; E363-W439 WeakPolarHBondContact O-CZ2 3.24Å; H364-W439 PolarHBondContact O-NE1 2.83Å; T366-W439 HydrophobicContact CG2-CD2 4.5Å; T366-W439 HydrophobicContact CG2-CG 4.06Å; W439-T448 WeakPolarHBondContact O-CB 3.23Å; W439-S449 PolarHBondContact O-N 3.34Å; W439-L452 HydrophobicContact CD2-CD1 3.87Å; W439-L452 HydrophobicContact CE3-CD1 4.06Å; W439-L452 HydrophobicContact CH2-CD1 4.02Å; W439-L452 HydrophobicContact CZ2-CB 3.94Å; W439-L452 HydrophobicContact CZ2-CD1 3.78Å; W439-L452 HydrophobicContact CZ2-CD2 4.24Å; W439-L452 HydrophobicContact CZ2-CG 4.19Å; W439-L452 HydrophobicContact CZ3-CD1 4.16Å; W439-D493 PolarHBondContact N-OD1 3.12Å
440	G	74.9	Confident	78.7	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.266	C	S	.	.			trans	-59.1	172	-179.9	0	0	0	0	0	113.8	S449 Q491 D493	G440-S449 PolarHBondContact O-N 3.35Å; G440-Q491 CarbonylContact C-O 3.58Å; G440-Q491 WeakPolarHBondContact CA-O 3.16Å; G440-D493 VanDerWaalsContact CA-OD1 3.26Å; G440-D493 WeakPolarHBondContact CA-OD1 3.35Å; G440-D493 PolarHBondContact N-OD1 3.33Å
441	R	65.7	Low	78.6	Confident	81 Å²	81	50.7 Å²	50.7	31%	0.306	27%	0.266	S	S	.	.	B	Isolated β-bridge	trans	-60	138.7	-177.9	-66.2	-178.9	-178.2	-175.2	-9.9	110.2	R443 G446 I447 T448 C490 Q491	R441-R443 PolarHBondContact O-N 2.93Å; R441-G446 VanDerWaalsContact CD-O 3.24Å; R441-G446 WeakPolarHBondContact CD-O 3.44Å; R441-G446 VanDerWaalsContact CG-O 3.3Å; R441-G446 WeakPolarHBondContact CG-O 3.32Å; R441-I447 WeakPolarHBondContact CA-O 3.36Å; R441-T448 HydrophobicContact CG-CG2 4.1Å; R441-C490 HydrophobicContact CB-CB 4.43Å; R441-C490 VanDerWaalsContact CB-SG 3.59Å; R441-C490 WeakPolarHBondContact O-CB 3.23Å; R441-C490 PolarHBondContact O-SG 3.41Å; R441-C490 VanDerWaalsContact O-SG 3.35Å; R441-Q491 HydrophobicContact CG-CB 4.34Å; R441-Q491 VanDerWaalsContact CZ-OE1 3.22Å; R441-Q491 PolarHBondContact N-O 3.34Å
442	T	56.2	Low	78.7	Confident	13 Å²	13	44.5 Å²	44.5	8%	0.08	23%	0.226	C	C	.	.	S	Bend	trans	-83.7	-4.2	-174.7	63.8	0	0	0	0	113.6	R305 I447	R305-T442 HydrophobicContact CB-CG2 3.54Å; R305-T442 HydrophobicContact CG-CG2 3.69Å; T442-I447 PolarHBondContact N-O 2.53Å
443	R	52.1	Low	78.7	Confident	161 Å²	161	42.4 Å²	42.4	61%	0.608	21%	0.21	S	C	*	.	S	Bend	trans	-161.6	162.3	175	61.2	-177.7	-177.3	-157.9	0.1	108.5	R441 M445 G446	R441-R443 PolarHBondContact O-N 2.93Å; R443-M445 PolarHBondContact O-N 3.09Å; R443-G446 WeakPolarHBondContact O-CA 3.25Å; R443-G446 PolarHBondContact O-N 2.91Å
444	F	51.6	Low	78.7	Confident	85 Å²	85	40.3 Å²	40.3	37%	0.373	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	131.1	173.3	-176.6	-113.7	0	0	0	111.1	G446 E517 C518	F444-G446 PolarHBondContact O-N 3.31Å; F444-E517 HydrophobicContact CD1-CG 4.49Å; F444-E517 HydrophobicContact CD2-CB 3.64Å; F444-E517 HydrophobicContact CD2-CG 4.02Å; F444-E517 HydrophobicContact CE1-CG 4.14Å; F444-E517 HydrophobicContact CE2-CB 3.78Å; F444-E517 HydrophobicContact CE2-CG 3.63Å; F444-E517 HydrophobicContact CG-CB 4.04Å; F444-E517 HydrophobicContact CG-CG 4.43Å; F444-E517 HydrophobicContact CZ-CB 4.27Å; F444-E517 HydrophobicContact CZ-CG 3.7Å; F444-C518 HydrophobicContact CB-CB 4.24Å
445	M	58.2	Low	78.4	Confident	146 Å²	146	40.6 Å²	40.6	72%	0.719	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.6	20.1	-170.5	-60.5	-152.6	126.9	0	0	115.8	R443	R443-M445 PolarHBondContact O-N 3.09Å
446	G	58.3	Low	78.2	Confident	11 Å²	11	44.4 Å²	44.4	11%	0.113	21%	0.214	C	C	.	.			trans	-81.6	178.4	178.4	0	0	0	0	0	114.2	R441 R443 F444	R441-G446 VanDerWaalsContact CD-O 3.24Å; R441-G446 WeakPolarHBondContact CD-O 3.44Å; R441-G446 VanDerWaalsContact CG-O 3.3Å; R441-G446 WeakPolarHBondContact CG-O 3.32Å; R443-G446 WeakPolarHBondContact O-CA 3.25Å; R443-G446 PolarHBondContact O-N 2.91Å; F444-G446 PolarHBondContact O-N 3.31Å
447	I	67.1	Low	78	Confident	111 Å²	111	44.3 Å²	44.3	57%	0.569	21%	0.214	S	C	*	.	P	Polyproline II helix	trans	-70.8	147.6	168.8	58	174.2	0	0	0	110.3	R441 T442	R441-I447 WeakPolarHBondContact CA-O 3.36Å; T442-I447 PolarHBondContact N-O 2.53Å
448	T	74.8	Confident	78	Confident	75 Å²	75	45.9 Å²	45.9	46%	0.46	22%	0.224	S	C	.	.	B	Isolated β-bridge	trans	-65.1	152.1	166.4	45.9	0	0	0	0	110	W439 R441	W439-T448 WeakPolarHBondContact O-CB 3.23Å; R441-T448 HydrophobicContact CG-CG2 4.1Å
449	S	82.1	Confident	78.2	Confident	5 Å²	5	49 Å²	49	4%	0.035	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-84	132	173.2	-174.4	0	0	0	0	110	W439 G440 I451 Q453	W439-S449 PolarHBondContact O-N 3.34Å; G440-S449 PolarHBondContact O-N 3.35Å; S449-I451 WeakPolarHBondContact CB-O 3.12Å; S449-I451 PolarHBondContact OG-N 2.98Å; S449-I451 PolarHBondContact OG-O 2.97Å; S449-Q453 WeakPolarHBondContact OG-CG 3.44Å; S449-Q453 PolarHBondContact OG-NE2 3.32Å
450	N	87.3	Confident	78.4	Confident	44 Å²	44	49.2 Å²	49.2	24%	0.235	24%	0.241	C	C	.	.	S	Bend	trans	-73.7	-35	174.5	-56	-30	0	0	0	111.2	N365 T366 E367	N365-N450 CarbonylContact C-O 3.52Å; N365-N450 VanDerWaalsContact CA-O 3.28Å; N365-N450 WeakPolarHBondContact CA-O 3.22Å; T366-N450 PolarHBondContact N-O 3.19Å; T366-N450 WeakPolarHBondContact OG1-CA 3.21Å; T366-N450 PolarHBondContact OG1-O 3.23Å; E367-N450 HydrophobicContact CG-CB 3.89Å; E367-N450 PolarHBondContact OE1-ND2 3.2Å; E367-N450 PolarHBondContact OE2-ND2 3.19Å
451	I	90.7	Very high	79.4	Confident	64 Å²	64	53.6 Å²	53.6	33%	0.328	27%	0.265	S	S	.	.	B	Isolated β-bridge	trans	-92.1	136.6	177.5	-61.4	174	0	0	0	109.1	H364 N365 S449 Q453	H364-I451 CarbonylContact O-C 3.53Å; H364-I451 WeakPolarHBondContact O-CA 3.42Å; N365-I451 HydrophobicContact CB-CG1 4.39Å; S449-I451 WeakPolarHBondContact CB-O 3.12Å; S449-I451 PolarHBondContact OG-N 2.98Å; S449-I451 PolarHBondContact OG-O 2.97Å; I451-Q453 WeakPolarHBondContact O-CG 3.3Å; I451-Q453 PolarHBondContact O-N 3.19Å; I451-Q453 PolarHBondContact O-NE2 2.73Å
452	L	92.4	Very high	80.7	Confident	6 Å²	6	51.7 Å²	51.7	3%	0.031	26%	0.259	C	S	.	.			trans	-54.8	126.4	175.3	-179.5	61.2	0	0	0	110.5	V312 Q320 H364 W439	V312-L452 HydrophobicContact CB-CB 4.28Å; V312-L452 HydrophobicContact CB-CD2 4.14Å; V312-L452 HydrophobicContact CB-CG 3.99Å; V312-L452 WeakPolarHBondContact CB-O 3.41Å; V312-L452 HydrophobicContact CG1-CD2 3.95Å; V312-L452 HydrophobicContact CG1-CG 4.35Å; V312-L452 HydrophobicContact CG2-CD2 4.33Å; V312-L452 HydrophobicContact CG2-CG 3.92Å; V312-L452 PolarHBondContact N-O 3.09Å; Q320-L452 HydrophobicContact CB-CD2 4.21Å; Q320-L452 HydrophobicContact CG-CD1 3.84Å; Q320-L452 HydrophobicContact CG-CD2 4.07Å; H364-L452 PolarHBondContact O-N 2.91Å; W439-L452 HydrophobicContact CD2-CD1 3.87Å; W439-L452 HydrophobicContact CE3-CD1 4.06Å; W439-L452 HydrophobicContact CH2-CD1 4.02Å; W439-L452 HydrophobicContact CZ2-CB 3.94Å; W439-L452 HydrophobicContact CZ2-CD1 3.78Å; W439-L452 HydrophobicContact CZ2-CD2 4.24Å; W439-L452 HydrophobicContact CZ2-CG 4.19Å; W439-L452 HydrophobicContact CZ3-CD1 4.16Å
453	Q	90.6	Very high	82.5	Confident	7 Å²	7	54.8 Å²	54.8	3%	0.033	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	162.2	179.7	-58.2	-57.4	-55.4	0	0	111.3	I306 R310 S311 V312 S437 G438 S449 I451	I306-Q453 HydrophobicContact CB-CB 4.37Å; I306-Q453 HydrophobicContact CD1-CB 4.14Å; I306-Q453 HydrophobicContact CG1-CB 3.26Å; I306-Q453 HydrophobicContact CG1-CG 3.8Å; R310-Q453 PolarHBondContact O-OE1 3.25Å; S311-Q453 PolarHBondContact OG-NE2 3.42Å; S311-Q453 PolarHBondContact OG-OE1 2.65Å; V312-Q453 VanDerWaalsContact CG2-C 3.48Å; S437-Q453 VanDerWaalsContact CA-O 3.25Å; S437-Q453 WeakPolarHBondContact CA-O 3.45Å; S437-Q453 VanDerWaalsContact CB-O 3.32Å; S437-Q453 WeakPolarHBondContact CB-O 2.99Å; G438-Q453 PolarHBondContact N-O 2.91Å; G438-Q453 VanDerWaalsContact N-O 3.14Å; G438-Q453 PolarHBondContact O-N 2.82Å; S449-Q453 WeakPolarHBondContact OG-CG 3.44Å; S449-Q453 PolarHBondContact OG-NE2 3.32Å; I451-Q453 WeakPolarHBondContact O-CG 3.3Å; I451-Q453 PolarHBondContact O-N 3.19Å; I451-Q453 PolarHBondContact O-NE2 2.73Å
454	K	91.9	Very high	84.4	Confident	12 Å²	12	50.9 Å²	50.9	5%	0.052	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	156.5	168.6	67.2	174.4	178.1	166	0	113	G309 R310 V312 E316 I317 T435 V436	G309-K454 WeakPolarHBondContact CA-O 3.18Å; R310-K454 HydrophobicContact CG-CG 4.17Å; R310-K454 PolarHBondContact N-O 2.87Å; R310-K454 PolarHBondContact O-N 2.85Å; V312-K454 HydrophobicContact CG2-CB 3.65Å; V312-K454 HydrophobicContact CG2-CD 3.95Å; V312-K454 HydrophobicContact CG2-CG 3.65Å; E316-K454 VanDerWaalsContact OE1-CE 3.29Å; E316-K454 WeakPolarHBondContact OE1-CE 3.47Å; E316-K454 IonicContact OE1-NZ 3.64Å; E316-K454 PolarHBondContact OE1-NZ 3.21Å; E316-K454 IonicContact OE2-NZ 3.58Å; I317-K454 HydrophobicContact CD1-CB 4.07Å; I317-K454 HydrophobicContact CD1-CD 3.99Å; T435-K454 HydrophobicContact CG2-CB 4Å; T435-K454 HydrophobicContact CG2-CD 3.9Å; V436-K454 CarbonylContact O-C 3.59Å; V436-K454 WeakPolarHBondContact O-CA 3.28Å; V436-K454 WeakPolarHBondContact O-CB 3.49Å
455	V	88.9	Confident	86.4	Confident	6 Å²	6	46.9 Å²	46.9	4%	0.036	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	150	174.7	64.7	0	0	0	0	110.1	I306 T435 V436 V457 K487	I306-V455 HydrophobicContact CG2-CB 3.83Å; I306-V455 HydrophobicContact CG2-CG1 3.99Å; I306-V455 HydrophobicContact CG2-CG2 4.39Å; T435-V455 WeakPolarHBondContact CA-O 3.42Å; V436-V455 HydrophobicContact CB-CG1 4.11Å; V436-V455 PolarHBondContact N-O 3.37Å; V436-V455 PolarHBondContact O-N 3.35Å; V455-V457 HydrophobicContact CG1-CG1 4.15Å; V455-V457 HydrophobicContact CG2-CG1 4.28Å; V455-K487 HydrophobicContact CG2-CB 4.18Å; V455-K487 HydrophobicContact CG2-CD 4.4Å; V455-K487 HydrophobicContact CG2-CG 4.18Å
456	E	91.1	Very high	88.1	Confident	90 Å²	90	44.9 Å²	44.9	42%	0.421	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	123.3	174.2	-74.6	173.7	-171.8	0	0	109.1	P433 A434 F482	P433-E456 HydrophobicContact CB-CB 4Å; P433-E456 HydrophobicContact CG-CB 4.01Å; P433-E456 HydrophobicContact CG-CG 4.42Å; A434-E456 CarbonylContact O-C 3.44Å; A434-E456 VanDerWaalsContact O-CA 3.23Å; A434-E456 WeakPolarHBondContact O-CA 3.26Å; E456-F482 WeakPolarHBondContact O-CE2 3.2Å
457	V	90.8	Very high	89.7	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	133.4	-175.9	-68.2	0	0	0	0	110.9	A434 V436 V455 A480	A434-V457 PolarHBondContact N-O 3.43Å; A434-V457 PolarHBondContact O-N 3.48Å; V436-V457 HydrophobicContact CG2-CG2 3.64Å; V455-V457 HydrophobicContact CG1-CG1 4.15Å; V455-V457 HydrophobicContact CG2-CG1 4.28Å; V457-A480 HydrophobicContact CB-CB 4.22Å; V457-A480 HydrophobicContact CG2-CB 3.81Å
458	P	93.4	Very high	90.7	Very high	38 Å²	38	48.1 Å²	48.1	25%	0.247	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-80.2	157.8	175.6	33.7	-34.3	0	0	0	110.9	A480 G481 F482	P458-A480 CarbonylContact O-C 3.55Å; P458-A480 WeakPolarHBondContact O-CA 3.39Å; P458-A480 VanDerWaalsContact O-CB 3.24Å; P458-A480 WeakPolarHBondContact O-CB 3.47Å; P458-G481 WeakPolarHBondContact CG-O 3.39Å; P458-G481 PolarHBondContact O-N 2.86Å; P458-F482 HydrophobicContact CG-CD1 4.19Å; P458-F482 HydrophobicContact CG-CE1 3.95Å; P458-F482 HydrophobicContact CG-CE2 4.45Å; P458-F482 HydrophobicContact CG-CZ 4.1Å
459	L	95.1	Very high	91.3	Very high	68 Å²	68	45.1 Å²	45.1	36%	0.356	23%	0.228	S	C	.	.	B	Isolated β-bridge	trans	-67.3	137.5	169.3	178.1	69	0	0	0	109.8	V428 K429 F478	V428-L459 HydrophobicContact CG1-CD1 3.68Å; V428-L459 HydrophobicContact CG1-CD2 3.82Å; V428-L459 HydrophobicContact CG1-CG 4.2Å; K429-L459 HydrophobicContact CG-CD2 4.17Å; L459-F478 HydrophobicContact CD1-CB 4.32Å; L459-F478 HydrophobicContact CD1-CD2 3.63Å; L459-F478 HydrophobicContact CD1-CE2 4.34Å; L459-F478 HydrophobicContact CD1-CG 4.28Å
460	V	94.3	Very high	91.6	Very high	10 Å²	10	52.4 Å²	52.4	6%	0.061	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-102.1	142.3	173	-179.9	0	0	0	0	110.3	E464 C465 C479 Y524	V460-E464 HydrophobicContact CG1-CB 4.04Å; V460-E464 HydrophobicContact CG1-CG 4.14Å; V460-C465 HydrophobicContact CG1-CB 4.29Å; V460-C479 HydrophobicContact CB-CB 3.91Å; V460-C479 HydrophobicContact CG1-CB 4.44Å; V460-C479 HydrophobicContact CG2-CB 4.37Å; V460-C479 PolarHBondContact N-O 2.84Å; V460-Y524 HydrophobicContact CG1-CD2 3.9Å; V460-Y524 HydrophobicContact CG1-CE1 4.29Å; V460-Y524 HydrophobicContact CG1-CE2 3.6Å; V460-Y524 HydrophobicContact CG1-CG 4.37Å; V460-Y524 HydrophobicContact CG2-CD1 3.59Å; V460-Y524 HydrophobicContact CG2-CD2 4.33Å; V460-Y524 HydrophobicContact CG2-CE1 3.61Å; V460-Y524 HydrophobicContact CG2-CE2 4.36Å; V460-Y524 HydrophobicContact CG2-CG 3.94Å
461	D	94.2	Very high	91.6	Very high	93 Å²	93	56 Å²	56	50%	0.497	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-58.1	140.7	175.7	-179.1	-102.6	0	0	0	111.3	T463 E464 C465	D461-T463 PolarHBondContact O-N 2.89Å; D461-T463 WeakPolarHBondContact OD1-CA 3.4Å; D461-T463 WeakPolarHBondContact OD1-CB 3.47Å; D461-T463 PolarHBondContact OD1-N 3.24Å; D461-T463 PolarHBondContact OD1-OG1 3.46Å; D461-E464 HydrophobicContact CB-CB 4.29Å; D461-E464 PolarHBondContact O-N 3.33Å; D461-E464 VanDerWaalsContact O-N 3.17Å; D461-C465 VanDerWaalsContact O-CB 3.23Å; D461-C465 WeakPolarHBondContact O-CB 3.3Å; D461-C465 PolarHBondContact O-N 3.42Å
462	Q	93.1	Very high	91.6	Very high	41 Å²	41	62.3 Å²	62.3	19%	0.192	30%	0.301	C	S	.	.	H	α-helix	trans	-62.4	-31.5	-175.5	-168.8	69.7	44.8	0	0	112.5	K466 M477 R529	Q462-K466 HydrophobicContact CG-CD 4.49Å; Q462-K466 WeakPolarHBondContact O-CB 3.03Å; Q462-K466 VanDerWaalsContact O-CG 3.27Å; Q462-K466 WeakPolarHBondContact O-CG 3.39Å; Q462-K466 PolarHBondContact O-N 3.08Å; Q462-K466 VanDerWaalsContact O-N 3.08Å; Q462-M477 PolarHBondContact OE1-O 3.14Å; Q462-R529 VanDerWaalsContact OE1-NH2 3.17Å
463	T	94.1	Very high	91.6	Very high	78 Å²	78	62.5 Å²	62.5	48%	0.479	30%	0.303	S	S	.	.	H	α-helix	trans	-70.9	-42.6	178.8	-45.9	0	0	0	0	110.5	D461 K466 K467	D461-T463 PolarHBondContact O-N 2.89Å; D461-T463 WeakPolarHBondContact OD1-CA 3.4Å; D461-T463 WeakPolarHBondContact OD1-CB 3.47Å; D461-T463 PolarHBondContact OD1-N 3.24Å; D461-T463 PolarHBondContact OD1-OG1 3.46Å; T463-K466 PolarHBondContact O-N 2.96Å; T463-K467 HydrophobicContact CG2-CD 4.44Å; T463-K467 VanDerWaalsContact O-CG 3.3Å; T463-K467 WeakPolarHBondContact O-CG 3.47Å; T463-K467 PolarHBondContact O-N 2.81Å; T463-K467 VanDerWaalsContact O-N 3.11Å
464	E	93.5	Very high	91.8	Very high	79 Å²	79	62.7 Å²	62.7	37%	0.369	30%	0.304	S	S	.	.	H	α-helix	trans	-66.3	-49	177.4	-172	-179.3	168.9	0	0	111.2	V460 D461 K466 K467 S468 Y524	V460-E464 HydrophobicContact CG1-CB 4.04Å; V460-E464 HydrophobicContact CG1-CG 4.14Å; D461-E464 HydrophobicContact CB-CB 4.29Å; D461-E464 PolarHBondContact O-N 3.33Å; D461-E464 VanDerWaalsContact O-N 3.17Å; E464-K466 VanDerWaalsContact C-N 3.28Å; E464-K466 PolarHBondContact O-N 3.01Å; E464-K467 CarbonylContact O-C 3.53Å; E464-K467 WeakPolarHBondContact O-CA 3.27Å; E464-K467 WeakPolarHBondContact O-CB 3.48Å; E464-K467 PolarHBondContact O-N 3.03Å; E464-S468 PolarHBondContact O-N 3.21Å; E464-Y524 HydrophobicContact CG-CE2 4.16Å; E464-Y524 PolarHBondContact OE1-OH 2.03Å
465	C	92.4	Very high	91.9	Very high	0 Å²	0	67 Å²	67	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-50.5	-45.4	172.7	174.1	0	0	0	0	112.2	V460 D461 K467 S468 I473 C479	V460-C465 HydrophobicContact CG1-CB 4.29Å; D461-C465 VanDerWaalsContact O-CB 3.23Å; D461-C465 WeakPolarHBondContact O-CB 3.3Å; D461-C465 PolarHBondContact O-N 3.42Å; C465-K467 PolarHBondContact O-N 2.81Å; C465-S468 PolarHBondContact O-N 3.08Å; C465-S468 PolarHBondContact O-OG 2.88Å; C465-I473 HydrophobicContact CB-CD1 4.46Å; C465-I473 WeakPolarHBondContact O-CD1 3.04Å; C465-I473 WeakPolarHBondContact SG-CD1 3.27Å; C465-C479 HydrophobicContact CB-CB 3.52Å; C465-C479 WeakPolarHBondContact CB-SG 3.4Å; C465-C479 WeakPolarHBondContact SG-CB 3.31Å; C465-C479 PolarHBondContact SG-N 3.3Å; C465-C479 CovalentContact SG-SG 2.02Å; C465-C479 PolarHBondContact SG-SG 2.03Å
466	K	93.6	Very high	92.3	Very high	104 Å²	104	67.6 Å²	67.6	45%	0.452	34%	0.337	S	S	.	.	H	α-helix	trans	-68.2	-33	176.6	-76.9	172	179.6	177.6	0	113.5	Q462 T463 E464 I473	Q462-K466 HydrophobicContact CG-CD 4.49Å; Q462-K466 WeakPolarHBondContact O-CB 3.03Å; Q462-K466 VanDerWaalsContact O-CG 3.27Å; Q462-K466 WeakPolarHBondContact O-CG 3.39Å; Q462-K466 PolarHBondContact O-N 3.08Å; Q462-K466 VanDerWaalsContact O-N 3.08Å; T463-K466 PolarHBondContact O-N 2.96Å; E464-K466 VanDerWaalsContact C-N 3.28Å; E464-K466 PolarHBondContact O-N 3.01Å; K466-I473 WeakPolarHBondContact CE-O 3.33Å; K466-I473 HydrophobicContact CG-CB 4.11Å
467	K	92.2	Very high	92.6	Very high	172 Å²	172	63.4 Å²	63.4	75%	0.748	32%	0.318	S	S	*	.	H	α-helix	trans	-76.8	-27.6	178.5	-74.2	172	178.7	177.3	0	112.1	T463 E464 C465 S469	T463-K467 HydrophobicContact CG2-CD 4.44Å; T463-K467 VanDerWaalsContact O-CG 3.3Å; T463-K467 WeakPolarHBondContact O-CG 3.47Å; T463-K467 PolarHBondContact O-N 2.81Å; T463-K467 VanDerWaalsContact O-N 3.11Å; E464-K467 CarbonylContact O-C 3.53Å; E464-K467 WeakPolarHBondContact O-CA 3.27Å; E464-K467 WeakPolarHBondContact O-CB 3.48Å; E464-K467 PolarHBondContact O-N 3.03Å; C465-K467 PolarHBondContact O-N 2.81Å; K467-S469 VanDerWaalsContact C-N 3.28Å; K467-S469 PolarHBondContact O-N 3.2Å
468	S	88.7	Confident	92.8	Very high	18 Å²	18	63.6 Å²	63.6	13%	0.126	32%	0.318	C	S	.	.	H	α-helix	trans	-73.3	-18.4	-178.9	63.3	0	0	0	0	113	E464 C465 G522 K523 Y524	E464-S468 PolarHBondContact O-N 3.21Å; C465-S468 PolarHBondContact O-N 3.08Å; C465-S468 PolarHBondContact O-OG 2.88Å; S468-G522 VanDerWaalsContact CB-O 3.28Å; S468-G522 WeakPolarHBondContact CB-O 3.24Å; S468-K523 WeakPolarHBondContact O-CD 3.36Å; S468-K523 WeakPolarHBondContact O-CE 3.3Å; S468-K523 PolarHBondContact O-NZ 3.17Å; S468-Y524 WeakPolarHBondContact OG-CD2 3.28Å
469	S	87.9	Confident	92.9	Very high	13 Å²	13	61.8 Å²	61.8	9%	0.091	31%	0.307	C	S	.	.			trans	-124	144.2	-173.4	169.6	0	0	0	0	112.5	K467 E471 E516	K467-S469 VanDerWaalsContact C-N 3.28Å; K467-S469 PolarHBondContact O-N 3.2Å; S469-E471 WeakPolarHBondContact OG-CB 3.01Å; S469-E471 PolarHBondContact OG-N 3.11Å; S469-E471 PolarHBondContact OG-O 3.46Å; S469-E516 WeakPolarHBondContact CA-OE2 3.44Å
470	N	87.5	Confident	92.8	Very high	157 Å²	157	58.6 Å²	58.6	84%	0.84	29%	0.29	S	S	*	.	S	Bend	trans	-80.6	-25.1	169.2	-71.2	-31.1	0	0	0	111.9
471	E	87.1	Confident	92.5	Very high	121 Å²	121	58.3 Å²	58.3	57%	0.565	29%	0.289	S	S	*	.	S	Bend	trans	-74	149.1	175.4	-64.9	-59.9	157.3	0	0	111.8	S469 I473 W514	S469-E471 WeakPolarHBondContact OG-CB 3.01Å; S469-E471 PolarHBondContact OG-N 3.11Å; S469-E471 PolarHBondContact OG-O 3.46Å; E471-I473 PolarHBondContact O-N 3.37Å; E471-W514 HydrophobicContact CB-CH2 3.58Å; E471-W514 HydrophobicContact CB-CZ2 4.29Å; E471-W514 HydrophobicContact CB-CZ3 3.99Å; E471-W514 HydrophobicContact CG-CH2 4.35Å; E471-W514 HydrophobicContact CG-CZ3 4.27Å
472	R	90.1	Very high	91.9	Very high	195 Å²	195	57 Å²	57	74%	0.736	28%	0.279	S	S	*	.			trans	-73.4	110.2	-174.1	-176.7	-175.1	175.7	116.9	-0.9	111.7	T474	R472-T474 HydrophobicContact CG-CG2 4.33Å
473	I	93.2	Very high	91	Very high	11 Å²	11	61.1 Å²	61.1	6%	0.056	29%	0.294	C	S	.	.			trans	-89.9	113.8	172.2	-51.3	-171.8	0	0	0	111.1	C465 K466 E471 M477 W514 V526	C465-I473 HydrophobicContact CB-CD1 4.46Å; C465-I473 WeakPolarHBondContact O-CD1 3.04Å; C465-I473 WeakPolarHBondContact SG-CD1 3.27Å; K466-I473 WeakPolarHBondContact CE-O 3.33Å; K466-I473 HydrophobicContact CG-CB 4.11Å; E471-I473 PolarHBondContact O-N 3.37Å; I473-M477 HydrophobicContact CG2-CB 4.04Å; I473-M477 HydrophobicContact CG2-SD 4.36Å; I473-W514 HydrophobicContact CG1-CH2 4.4Å; I473-W514 HydrophobicContact CG1-CZ2 4.22Å; I473-V526 HydrophobicContact CD1-CG2 4.39Å
474	T	94.4	Very high	89.9	Confident	11 Å²	11	63.3 Å²	63.3	7%	0.067	30%	0.302	C	S	.	.			trans	-89	164.3	-177.3	72.5	0	0	0	0	112.3	N395 R472 V476 M477	N395-T474 WeakPolarHBondContact OD1-CG2 3.27Å; N395-T474 PolarHBondContact OD1-OG1 3.28Å; R472-T474 HydrophobicContact CG-CG2 4.33Å; T474-V476 PolarHBondContact O-N 3.37Å; T474-V476 VanDerWaalsContact O-N 3.14Å; T474-V476 WeakPolarHBondContact OG1-CG2 3.36Å; T474-M477 HydrophobicContact CG2-CE 4.27Å; T474-M477 PolarHBondContact O-N 2.68Å; T474-M477 VanDerWaalsContact O-N 3.08Å
475	P	95.1	Very high	88.7	Confident	101 Å²	101	62.4 Å²	62.4	66%	0.656	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-13.4	178.1	-23.9	35.3	0	0	0	115.2	R529	P475-R529 PolarHBondContact O-NE 3.43Å
476	V	96.6	Very high	87.2	Confident	20 Å²	20	64.8 Å²	64.8	12%	0.121	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	6.4	175.3	-56.5	0	0	0	0	112.7	N395 T474 R529 V532 Y533	N395-V476 WeakPolarHBondContact OD1-CG2 3.32Å; T474-V476 PolarHBondContact O-N 3.37Å; T474-V476 VanDerWaalsContact O-N 3.14Å; T474-V476 WeakPolarHBondContact OG1-CG2 3.36Å; V476-R529 WeakPolarHBondContact O-CB 3.04Å; V476-R529 PolarHBondContact O-N 2.82Å; V476-V532 HydrophobicContact CG1-CG1 4.11Å; V476-Y533 HydrophobicContact CB-CE2 4.3Å; V476-Y533 WeakPolarHBondContact CB-OH 3.16Å; V476-Y533 WeakPolarHBondContact CG2-OH 3.31Å
477	M	96.8	Very high	85.7	Confident	2 Å²	2	63.1 Å²	63.1	1%	0.01	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	165.1	175.8	-53.7	171.8	-173.9	0	0	110	Y394 N395 Q462 I473 T474 V526 Y527 R529	Y394-M477 VanDerWaalsContact O-CE 3.23Å; Y394-M477 WeakPolarHBondContact O-CE 3.42Å; N395-M477 HydrophobicContact CB-CE 4Å; Q462-M477 PolarHBondContact OE1-O 3.14Å; I473-M477 HydrophobicContact CG2-CB 4.04Å; I473-M477 HydrophobicContact CG2-SD 4.36Å; T474-M477 HydrophobicContact CG2-CE 4.27Å; T474-M477 PolarHBondContact O-N 2.68Å; T474-M477 VanDerWaalsContact O-N 3.08Å; M477-V526 HydrophobicContact CB-CG1 3.98Å; M477-V526 HydrophobicContact CG-CG1 4.38Å; M477-V526 HydrophobicContact SD-CG1 4.07Å; M477-Y527 CarbonylContact C-O 2.82Å; M477-Y527 VanDerWaalsContact CA-O 3.25Å; M477-Y527 WeakPolarHBondContact CA-O 3.46Å; M477-R529 PolarHBondContact O-NE 3.22Å; M477-R529 PolarHBondContact O-NH2 2.81Å
478	F	96.7	Very high	84.1	Confident	3 Å²	3	55 Å²	55	1%	0.013	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	158.5	164.5	68.4	-86.8	0	0	0	110	L459 A480 H498 Y527 R529	L459-F478 HydrophobicContact CD1-CB 4.32Å; L459-F478 HydrophobicContact CD1-CD2 3.63Å; L459-F478 HydrophobicContact CD1-CE2 4.34Å; L459-F478 HydrophobicContact CD1-CG 4.28Å; F478-A480 HydrophobicContact CE2-CB 4.28Å; F478-H498 AromaticContact CE2-CE1 3.61Å; F478-H498 AromaticContact CE2-NE2 3.66Å; F478-H498 AromaticContact CZ-CE1 3.68Å; F478-H498 AromaticContact CZ-ND1 3.72Å; F478-Y527 HydrophobicContact CE2-CD2 4.16Å; F478-Y527 HydrophobicContact CE2-CG 4.2Å; F478-Y527 HydrophobicContact CZ-CG 4.17Å; F478-Y527 PolarHBondContact N-O 2.04Å; F478-Y527 PolarHBondContact O-N 2.02Å; F478-R529 HydrophobicContact CD1-CB 3.92Å; F478-R529 HydrophobicContact CD1-CG 4.12Å; F478-R529 HydrophobicContact CE1-CB 4.44Å
479	C	94.8	Very high	82.7	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.007	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	147.3	173.7	-66.9	0	0	0	0	111	V460 C465 Y524 G525	V460-C479 HydrophobicContact CB-CB 3.91Å; V460-C479 HydrophobicContact CG1-CB 4.44Å; V460-C479 HydrophobicContact CG2-CB 4.37Å; V460-C479 PolarHBondContact N-O 2.84Å; C465-C479 HydrophobicContact CB-CB 3.52Å; C465-C479 WeakPolarHBondContact CB-SG 3.4Å; C465-C479 WeakPolarHBondContact SG-CB 3.31Å; C465-C479 PolarHBondContact SG-N 3.3Å; C465-C479 CovalentContact SG-SG 2.02Å; C465-C479 PolarHBondContact SG-SG 2.03Å; C479-Y524 HydrophobicContact CB-CD2 4.47Å; C479-Y524 HydrophobicContact CB-CG 4.26Å; C479-G525 VanDerWaalsContact CA-O 3.27Å; C479-G525 WeakPolarHBondContact CA-O 3.01Å
480	A	92.6	Very high	81.5	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	140.2	167.9	0	0	0	0	0	110	V457 P458 F478 G525 Y527	V457-A480 HydrophobicContact CB-CB 4.22Å; V457-A480 HydrophobicContact CG2-CB 3.81Å; P458-A480 CarbonylContact O-C 3.55Å; P458-A480 WeakPolarHBondContact O-CA 3.39Å; P458-A480 VanDerWaalsContact O-CB 3.24Å; P458-A480 WeakPolarHBondContact O-CB 3.47Å; F478-A480 HydrophobicContact CE2-CB 4.28Å; A480-G525 PolarHBondContact N-O 2.85Å; A480-G525 PolarHBondContact O-N 2.71Å; A480-Y527 HydrophobicContact CB-CD2 4.03Å; A480-Y527 HydrophobicContact CB-CE2 3.64Å
481	G	88.7	Confident	80	Confident	4 Å²	4	51.3 Å²	51.3	4%	0.041	26%	0.257	C	S	.	.	S	Bend	trans	150.2	-177.1	-175.8	0	0	0	0	0	112.2	P458	P458-G481 WeakPolarHBondContact CG-O 3.39Å; P458-G481 PolarHBondContact O-N 2.86Å
482	F	81.2	Confident	78.7	Confident	65 Å²	65	46.4 Å²	46.4	29%	0.285	24%	0.239	S	C	.	.			trans	-110.1	147.5	176.4	-64.2	-89.9	0	0	0	109.9	E456 P458 V485 K487	E456-F482 WeakPolarHBondContact O-CE2 3.2Å; P458-F482 HydrophobicContact CG-CD1 4.19Å; P458-F482 HydrophobicContact CG-CE1 3.95Å; P458-F482 HydrophobicContact CG-CE2 4.45Å; P458-F482 HydrophobicContact CG-CZ 4.1Å; F482-V485 HydrophobicContact CB-CB 3.55Å; F482-V485 HydrophobicContact CB-CG2 4.01Å; F482-V485 HydrophobicContact CD1-CB 4.33Å; F482-V485 HydrophobicContact CD1-CG2 4.12Å; F482-V485 HydrophobicContact CD2-CB 4.3Å; F482-V485 HydrophobicContact CG-CB 3.83Å; F482-V485 HydrophobicContact CG-CG2 4.13Å; F482-K487 HydrophobicContact CD2-CB 3.61Å; F482-K487 HydrophobicContact CD2-CD 4.05Å; F482-K487 HydrophobicContact CD2-CG 4.48Å; F482-K487 HydrophobicContact CE2-CB 4.01Å; F482-K487 HydrophobicContact CE2-CD 3.69Å; F482-K487 HydrophobicContact CZ-CD 4.47Å
483	Y	74.9	Confident	78.2	Confident	128 Å²	128	37.3 Å²	37.3	50%	0.502	21%	0.205	S	C	.	.	S	Bend	trans	-68.9	-45.2	-178.4	-175.1	-91.9	0	0	0	112.2	G522 Y524	Y483-G522 PolarHBondContact O-N 2.81Å; Y483-Y524 WeakPolarHBondContact CB-OH 3.34Å; Y483-Y524 WeakPolarHBondContact CD2-OH 3.03Å
484	D	69.8	Low	78	Confident	124 Å²	124	37.8 Å²	37.8	66%	0.663	21%	0.209	S	C	*	.	S	Bend	trans	-120.3	-16.9	-169.9	61.1	-25.1	0	0	0	113.2
485	V	68.2	Low	78	Confident	61 Å²	61	37.2 Å²	37.2	37%	0.37	21%	0.205	S	C	.	.	S	Bend	trans	-82.7	128.7	175.5	-172.8	0	0	0	0	108.6	F482 K487	F482-V485 HydrophobicContact CB-CB 3.55Å; F482-V485 HydrophobicContact CB-CG2 4.01Å; F482-V485 HydrophobicContact CD1-CB 4.33Å; F482-V485 HydrophobicContact CD1-CG2 4.12Å; F482-V485 HydrophobicContact CD2-CB 4.3Å; F482-V485 HydrophobicContact CG-CB 3.83Å; F482-V485 HydrophobicContact CG-CG2 4.13Å; V485-K487 HydrophobicContact CG1-CB 4.11Å; V485-K487 HydrophobicContact CG1-CD 3.93Å; V485-K487 HydrophobicContact CG1-CG 3.86Å; V485-K487 PolarHBondContact O-N 3.37Å
486	A	61.8	Low	78.1	Confident	50 Å²	50	32.4 Å²	32.4	41%	0.413	17%	0.174	S	C	.	.	S	Bend	trans	-69	70.9	173.9	0	0	0	0	0	109.6	V307 G308 A519	V307-A486 CarbonylContact C-O 3.54Å; V307-A486 WeakPolarHBondContact CA-O 3.44Å; V307-A486 HydrophobicContact CB-CB 4.42Å; V307-A486 WeakPolarHBondContact CB-O 3.46Å; V307-A486 VanDerWaalsContact CG1-C 3.48Å; V307-A486 HydrophobicContact CG1-CB 3.36Å; V307-A486 WeakPolarHBondContact CG1-O 3.38Å; G308-A486 PolarHBondContact N-O 3.01Å; A486-A519 HydrophobicContact CB-CB 4.47Å
487	K	62.5	Low	78.1	Confident	68 Å²	68	31.5 Å²	31.5	30%	0.296	17%	0.168	S	C	.	.			trans	-141.2	105.9	-179.5	-86	-176.8	-176.6	-179	0	111.2	V307 G308 V455 F482 V485	V307-K487 WeakPolarHBondContact O-CA 3.23Å; V307-K487 WeakPolarHBondContact O-CG 3.49Å; G308-K487 WeakPolarHBondContact O-CE 3.26Å; V455-K487 HydrophobicContact CG2-CB 4.18Å; V455-K487 HydrophobicContact CG2-CD 4.4Å; V455-K487 HydrophobicContact CG2-CG 4.18Å; F482-K487 HydrophobicContact CD2-CB 3.61Å; F482-K487 HydrophobicContact CD2-CD 4.05Å; F482-K487 HydrophobicContact CD2-CG 4.48Å; F482-K487 HydrophobicContact CE2-CB 4.01Å; F482-K487 HydrophobicContact CE2-CD 3.69Å; F482-K487 HydrophobicContact CZ-CD 4.47Å; V485-K487 HydrophobicContact CG1-CB 4.11Å; V485-K487 HydrophobicContact CG1-CD 3.93Å; V485-K487 HydrophobicContact CG1-CG 3.86Å; V485-K487 PolarHBondContact O-N 3.37Å
488	D	57	Low	78.1	Confident	3 Å²	3	31.5 Å²	31.5	2%	0.016	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-158.9	157.8	-174.6	-160.4	10.3	0	0	0	112.2	I306 A519 G525	I306-D488 WeakPolarHBondContact CG2-O 3.48Å; D488-A519 HydrophobicContact CB-CB 3.63Å; D488-A519 PolarHBondContact OD2-N 2.74Å; D488-G525 PolarHBondContact OD1-N 2.86Å
489	A	59	Low	78.2	Confident	11 Å²	11	31.5 Å²	31.5	9%	0.091	17%	0.169	C	C	.	.			trans	-72.6	153.7	164.8	0	0	0	0	0	109.5	V436 V512	V436-A489 HydrophobicContact CG1-CB 3.96Å; A489-V512 HydrophobicContact CB-CG1 4.38Å
490	C	64.3	Low	78.3	Confident	10 Å²	10	31.7 Å²	31.7	7%	0.068	17%	0.169	C	C	.	.			trans	-137.4	176.1	-176.2	-166.5	0	0	0	0	112.4	R441 G492 D493 C518	R441-C490 HydrophobicContact CB-CB 4.43Å; R441-C490 VanDerWaalsContact CB-SG 3.59Å; R441-C490 WeakPolarHBondContact O-CB 3.23Å; R441-C490 PolarHBondContact O-SG 3.41Å; R441-C490 VanDerWaalsContact O-SG 3.35Å; C490-G492 PolarHBondContact O-N 2.79Å; C490-D493 PolarHBondContact N-OD2 3.29Å; C490-D493 WeakPolarHBondContact O-CB 3.31Å; C490-D493 PolarHBondContact O-N 2.88Å; C490-C518 WeakPolarHBondContact CA-SG 3.02Å; C490-C518 HydrophobicContact CB-CB 3.57Å; C490-C518 WeakPolarHBondContact CB-SG 3.32Å; C490-C518 WeakPolarHBondContact SG-CB 3.35Å; C490-C518 CovalentContact SG-SG 2.01Å; C490-C518 PolarHBondContact SG-SG 3.13Å
491	Q	56.2	Low	78.4	Confident	89 Å²	89	33.8 Å²	33.8	42%	0.416	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	130.9	-178.6	-65.9	176.8	-20.4	0	0	111.6	G440 R441	G440-Q491 CarbonylContact C-O 3.58Å; G440-Q491 WeakPolarHBondContact CA-O 3.16Å; R441-Q491 HydrophobicContact CG-CB 4.34Å; R441-Q491 VanDerWaalsContact CZ-OE1 3.22Å; R441-Q491 PolarHBondContact N-O 3.34Å
492	G	59.3	Low	78.7	Confident	18 Å²	18	34.8 Å²	34.8	19%	0.186	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.6	-8.7	-174.1	0	0	0	0	0	114.4	C490	C490-G492 PolarHBondContact O-N 2.79Å
493	D	78.6	Confident	79.2	Confident	4 Å²	4	36.2 Å²	36.2	2%	0.021	19%	0.19	C	C	.	.			trans	-87.3	-7	166.7	-61.7	-42.2	0	0	0	112.6	G438 W439 G440 C490 G495 G496 V512	G438-D493 WeakPolarHBondContact CA-OD1 3.07Å; W439-D493 PolarHBondContact N-OD1 3.12Å; G440-D493 VanDerWaalsContact CA-OD1 3.26Å; G440-D493 WeakPolarHBondContact CA-OD1 3.35Å; G440-D493 PolarHBondContact N-OD1 3.33Å; C490-D493 PolarHBondContact N-OD2 3.29Å; C490-D493 WeakPolarHBondContact O-CB 3.31Å; C490-D493 PolarHBondContact O-N 2.88Å; D493-G495 PolarHBondContact O-N 2.78Å; D493-G496 WeakPolarHBondContact O-CA 3.46Å; D493-G496 PolarHBondContact O-N 2.81Å; D493-V512 HydrophobicContact CB-CG1 4.1Å; D493-V512 HydrophobicContact CB-CG2 4.44Å; D493-V512 VanDerWaalsContact O-CB 3.31Å; D493-V512 WeakPolarHBondContact O-CB 3.37Å
494	S	89.9	Confident	80	Confident	20 Å²	20	35.8 Å²	35.8	14%	0.14	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.5	132	-179.5	-71.7	0	0	0	0	112.6	C333 G334 H348 G496	C333-S494 CarbonylContact C-O 3.59Å; C333-S494 WeakPolarHBondContact CA-O 2.91Å; C333-S494 WeakPolarHBondContact CB-O 3.36Å; G334-S494 PolarHBondContact N-O 2.75Å; H348-S494 VanDerWaalsContact NE2-CB 3.27Å; H348-S494 WeakPolarHBondContact NE2-CB 3.26Å; H348-S494 PolarHBondContact NE2-OG 2.92Å; S494-G496 PolarHBondContact O-N 2.03Å
495	G	94.9	Very high	81.3	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	-12.3	-174.3	0	0	0	0	0	114.8	G334 G335 T345 D493 V512	G334-G495 CarbonylContact O-C 3.5Å; G335-G495 VanDerWaalsContact CA-O 3.23Å; G335-G495 WeakPolarHBondContact CA-O 3.25Å; G335-G495 PolarHBondContact N-O 3.19Å; T345-G495 WeakPolarHBondContact OG1-CA 3.21Å; D493-G495 PolarHBondContact O-N 2.78Å; G495-V512 PolarHBondContact N-O 2.98Å
496	G	95.5	Very high	82.7	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.158	C	C	.	.			trans	-66.8	164	177.5	0	0	0	0	0	114.1	D493 S494 I511 V512	D493-G496 WeakPolarHBondContact O-CA 3.46Å; D493-G496 PolarHBondContact O-N 2.81Å; S494-G496 PolarHBondContact O-N 2.03Å; G496-I511 WeakPolarHBondContact O-CA 3.01Å; G496-V512 PolarHBondContact O-N 3.37Å
497	P	97.6	Very high	84.5	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	139.7	-177.3	26.5	-31.3	0	0	0	113	S336 V436 S437 L508	S336-P497 VanDerWaalsContact OG-CB 3.32Å; S336-P497 WeakPolarHBondContact OG-CB 3.46Å; V436-P497 WeakPolarHBondContact CA-O 3.04Å; S437-P497 WeakPolarHBondContact OG-CG 3.48Å; P497-L508 HydrophobicContact CB-CD1 3.78Å
498	H	97.3	Very high	86.2	Confident	3 Å²	3	24 Å²	24	1%	0.014	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	114.3	151.9	176.3	-73.9	0	0	0	107.8	A434 V436 F478 T509 G510 Y527	A434-H498 WeakPolarHBondContact CB-CE1 3.24Å; A434-H498 WeakPolarHBondContact CB-NE2 3.27Å; V436-H498 HydrophobicContact CG2-CB 4.04Å; V436-H498 VanDerWaalsContact CG2-CD2 3.48Å; V436-H498 WeakPolarHBondContact CG2-CD2 3.39Å; F478-H498 AromaticContact CE2-CE1 3.61Å; F478-H498 AromaticContact CE2-NE2 3.66Å; F478-H498 AromaticContact CZ-CE1 3.68Å; F478-H498 AromaticContact CZ-ND1 3.72Å; H498-T509 PolarHBondContact CE1-OG1 3.4Å; H498-T509 PolarHBondContact ND1-OG1 3.37Å; H498-T509 PolarHBondContact O-N 3.17Å; H498-T509 PolarHBondContact O-OG1 2.87Å; H498-G510 PolarHBondContact N-O 2.83Å; H498-G510 PolarHBondContact O-N 3.39Å; H498-Y527 HydrophobicContact CB-CD1 3.64Å; H498-Y527 HydrophobicContact CB-CE1 3.92Å; H498-Y527 HydrophobicContact CB-CG 4.46Å; H498-Y527 AromaticContact CD2-CD1 3.81Å; H498-Y527 AromaticContact CD2-CE1 3.67Å; H498-Y527 AromaticContact CD2-CZ 3.93Å
499	A	97.9	Very high	88.2	Confident	2 Å²	2	23.9 Å²	23.9	2%	0.017	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	145.9	-166.9	0	0	0	0	0	112.8	I416 T435 W506 F507	I416-A499 HydrophobicContact CD1-CB 3.66Å; T435-A499 PolarHBondContact N-O 2.8Å; T435-A499 PolarHBondContact O-N 2.04Å; A499-W506 HydrophobicContact CB-CE3 3.98Å; A499-W506 HydrophobicContact CB-CZ3 4.41Å; A499-F507 VanDerWaalsContact CA-O 3.27Å; A499-F507 WeakPolarHBondContact CA-O 3.32Å
500	K	97.3	Very high	90	Very high	5 Å²	5	23.3 Å²	23.3	2%	0.022	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	143.8	171.6	-88.1	-170.1	169.8	-172.5	0	111	L427 V428 Q430 S432 A434 W506 F507 T509	L427-K500 HydrophobicContact CD1-CB 4.17Å; L427-K500 HydrophobicContact CD1-CD 4.25Å; L427-K500 HydrophobicContact CD2-CB 3.98Å; L427-K500 HydrophobicContact CG-CB 3.92Å; L427-K500 HydrophobicContact CG-CD 4.1Å; L427-K500 VanDerWaalsContact O-CD 3.22Å; L427-K500 WeakPolarHBondContact O-CD 3.47Å; L427-K500 PolarHBondContact O-NZ 3.18Å; V428-K500 PolarHBondContact O-NZ 2.97Å; Q430-K500 PolarHBondContact O-NZ 3.25Å; S432-K500 WeakPolarHBondContact O-CE 3.37Å; S432-K500 PolarHBondContact O-NZ 3.05Å; A434-K500 HydrophobicContact CB-CD 4.47Å; A434-K500 HydrophobicContact CB-CG 3.74Å; K500-W506 WeakPolarHBondContact O-CA 3.41Å; K500-F507 PolarHBondContact N-O 3.41Å; K500-F507 PolarHBondContact O-N 3.23Å; K500-T509 HydrophobicContact CB-CG2 4.12Å
501	S	95.5	Very high	91.6	Very high	45 Å²	45	22.9 Å²	22.9	32%	0.315	12%	0.116	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	136.3	170.4	-167.5	0	0	0	0	110.3
502	Y	94.7	Very high	93.5	Very high	25 Å²	25	19.2 Å²	19.2	10%	0.098	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	119.8	172.1	-176.3	-100.9	0	0	0	109.2	K185 F423 L427 D504 T505	K185-Y502 WeakPolarHBondContact O-CE1 3.37Å; F423-Y502 AromaticContact CE2-CD1 3.76Å; F423-Y502 HydrophobicContact CE2-CD1 3.76Å; F423-Y502 AromaticContact CE2-CE1 3.75Å; F423-Y502 HydrophobicContact CE2-CE1 3.75Å; F423-Y502 HydrophobicContact CE2-CG 4.26Å; F423-Y502 AromaticContact CZ-CD1 3.61Å; F423-Y502 HydrophobicContact CZ-CD1 3.61Å; F423-Y502 HydrophobicContact CZ-CE1 4.11Å; F423-Y502 AromaticContact CZ-CG 3.94Å; F423-Y502 HydrophobicContact CZ-CG 3.94Å; L427-Y502 HydrophobicContact CD1-CD2 3.89Å; L427-Y502 HydrophobicContact CD1-CG 4.21Å; Y502-D504 VanDerWaalsContact C-N 3.31Å; Y502-D504 PolarHBondContact O-N 3.16Å; Y502-T505 PolarHBondContact N-O 3.41Å; Y502-T505 PolarHBondContact O-N 3.27Å
503	R	91.7	Very high	95	Very high	94 Å²	94	18.4 Å²	18.4	36%	0.355	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.7	52	-179.7	-61.7	-175.8	177.6	-176.6	5.3	112.7	N180 D183 C184 K185 T505	N180-R503 PolarHBondContact OD1-NH2 2.93Å; D183-R503 PolarHBondContact O-NH1 3.42Å; C184-R503 PolarHBondContact O-NH1 2.7Å; C184-R503 VanDerWaalsContact O-NH1 3.14Å; K185-R503 HydrophobicContact CG-CB 4.49Å; R503-T505 VanDerWaalsContact C-N 3.29Å; R503-T505 PolarHBondContact O-N 3.42Å
504	D	91.3	Very high	95.4	Very high	120 Å²	120	19.6 Å²	19.6	64%	0.642	10%	0.095	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.2	17	-178	-57.6	-40.7	0	0	0	116.5	K223 Y502	K223-D504 PolarHBondContact NZ-O 3.04Å; Y502-D504 VanDerWaalsContact C-N 3.31Å; Y502-D504 PolarHBondContact O-N 3.16Å
505	T	96.8	Very high	94.8	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	128.8	175.9	-58.6	0	0	0	0	110.1	H186 C417 Y502 R503 F507	H186-T505 PolarHBondContact NE2-OG1 3.37Å; H186-T505 VanDerWaalsContact NE2-OG1 3.1Å; C417-T505 HydrophobicContact CB-CG2 4.4Å; C417-T505 WeakPolarHBondContact SG-CG2 3.03Å; Y502-T505 PolarHBondContact N-O 3.41Å; Y502-T505 PolarHBondContact O-N 3.27Å; R503-T505 VanDerWaalsContact C-N 3.29Å; R503-T505 PolarHBondContact O-N 3.42Å; T505-F507 HydrophobicContact CG2-CD2 4.39Å; T505-F507 HydrophobicContact CG2-CE1 4.43Å; T505-F507 HydrophobicContact CG2-CE2 3.66Å; T505-F507 HydrophobicContact CG2-CZ 3.69Å; T505-F507 VanDerWaalsContact O-CD2 3.3Å; T505-F507 WeakPolarHBondContact O-CD2 3.34Å; T505-F507 WeakPolarHBondContact O-CE2 3.38Å
506	W	98	Very high	93.5	Very high	54 Å²	54	22.8 Å²	22.8	21%	0.205	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	129.9	179.5	-71.1	84	0	0	0	112.3	G222 W319 C417 T435 A499 K500	G222-W506 VanDerWaalsContact CA-O 3.27Å; G222-W506 WeakPolarHBondContact CA-O 3.09Å; G222-W506 PolarHBondContact O-N 2.93Å; W319-W506 HydrophobicContact CH2-CB 3.39Å; W319-W506 AromaticContact CH2-CD1 3.67Å; W319-W506 AromaticContact CH2-CD2 3.74Å; W319-W506 HydrophobicContact CH2-CD2 3.74Å; W319-W506 HydrophobicContact CH2-CE3 4.36Å; W319-W506 AromaticContact CH2-CG 3.3Å; W319-W506 HydrophobicContact CH2-CG 3.3Å; W319-W506 HydrophobicContact CZ2-CB 3.95Å; W319-W506 HydrophobicContact CZ2-CD2 4.04Å; W319-W506 HydrophobicContact CZ2-CE3 4.19Å; W319-W506 AromaticContact CZ2-CG 3.97Å; W319-W506 HydrophobicContact CZ2-CG 3.97Å; W319-W506 HydrophobicContact CZ3-CB 3.85Å; W319-W506 HydrophobicContact CZ3-CG 4.09Å; C417-W506 WeakPolarHBondContact CB-O 3.46Å; C417-W506 PolarHBondContact N-O 2.91Å; T435-W506 WeakPolarHBondContact OG1-CH2 3.32Å; A499-W506 HydrophobicContact CB-CE3 3.98Å; A499-W506 HydrophobicContact CB-CZ3 4.41Å; K500-W506 WeakPolarHBondContact O-CA 3.41Å
507	F	98.5	Very high	92.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	136.7	179	-65.4	-89.1	0	0	0	111.2	H186 F187 A201 C417 F423 I424 L427 A499 K500 T505 T509	H186-F507 AromaticContact CD2-CZ 3.8Å; F187-F507 HydrophobicContact CE1-CD1 4.28Å; F187-F507 AromaticContact CE1-CE1 3.54Å; F187-F507 HydrophobicContact CE1-CE1 3.54Å; F187-F507 HydrophobicContact CE1-CZ 4.19Å; F187-F507 AromaticContact CZ-CE1 3.83Å; F187-F507 HydrophobicContact CZ-CE1 3.83Å; A201-F507 HydrophobicContact CB-CE1 4.19Å; C417-F507 HydrophobicContact CB-CD1 3.41Å; C417-F507 VanDerWaalsContact CB-CD1 3.41Å; C417-F507 HydrophobicContact CB-CE1 3.5Å; C417-F507 HydrophobicContact CB-CG 4.15Å; C417-F507 HydrophobicContact CB-CZ 4.31Å; C417-F507 CarbonylContact O-C 3.38Å; C417-F507 VanDerWaalsContact O-CA 3.32Å; C417-F507 WeakPolarHBondContact O-CA 3.44Å; F423-F507 AromaticContact CE1-CD1 3.92Å; F423-F507 HydrophobicContact CE1-CD1 3.92Å; F423-F507 AromaticContact CE1-CD2 3.97Å; F423-F507 HydrophobicContact CE1-CD2 3.97Å; F423-F507 AromaticContact CE1-CE1 3.94Å; F423-F507 HydrophobicContact CE1-CE1 3.94Å; F423-F507 AromaticContact CE1-CE2 3.98Å; F423-F507 HydrophobicContact CE1-CE2 3.98Å; F423-F507 AromaticContact CE1-CG 3.95Å; F423-F507 HydrophobicContact CE1-CG 3.95Å; F423-F507 AromaticContact CE1-CZ 3.97Å; F423-F507 HydrophobicContact CE1-CZ 3.97Å; F423-F507 HydrophobicContact CZ-CD2 4.21Å; F423-F507 AromaticContact CZ-CE2 3.93Å; F423-F507 HydrophobicContact CZ-CE2 3.93Å; F423-F507 HydrophobicContact CZ-CZ 4.11Å; I424-F507 HydrophobicContact CD1-CB 3.86Å; I424-F507 HydrophobicContact CD1-CD1 4.3Å; I424-F507 HydrophobicContact CD1-CG 4.32Å; L427-F507 HydrophobicContact CD2-CB 3.96Å; L427-F507 HydrophobicContact CD2-CD2 4.12Å; L427-F507 HydrophobicContact CD2-CG 4.3Å; A499-F507 VanDerWaalsContact CA-O 3.27Å; A499-F507 WeakPolarHBondContact CA-O 3.32Å; K500-F507 PolarHBondContact N-O 3.41Å; K500-F507 PolarHBondContact O-N 3.23Å; T505-F507 HydrophobicContact CG2-CD2 4.39Å; T505-F507 HydrophobicContact CG2-CE1 4.43Å; T505-F507 HydrophobicContact CG2-CE2 3.66Å; T505-F507 HydrophobicContact CG2-CZ 3.69Å; T505-F507 VanDerWaalsContact O-CD2 3.3Å; T505-F507 WeakPolarHBondContact O-CD2 3.34Å; T505-F507 WeakPolarHBondContact O-CE2 3.38Å; F507-T509 PolarHBondContact O-N 2.99Å
508	L	98.6	Very high	90.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	122	170.6	-171.7	68.7	0	0	0	108.5	L338 I344 I416 C417 I418 P497 G510 V530	L338-L508 HydrophobicContact CD2-CD2 4.42Å; I344-L508 HydrophobicContact CD1-CD2 4.4Å; I344-L508 HydrophobicContact CG2-CD2 3.66Å; I416-L508 HydrophobicContact CD1-CB 3.8Å; I416-L508 HydrophobicContact CD1-CD1 4.15Å; I416-L508 HydrophobicContact CG1-CB 4.11Å; I416-L508 HydrophobicContact CG2-CB 3.93Å; I416-L508 HydrophobicContact CG2-CD2 4.45Å; C417-L508 PolarHBondContact O-N 2.73Å; I418-L508 HydrophobicContact CG2-CB 4.24Å; I418-L508 HydrophobicContact CG2-CD2 4.44Å; P497-L508 HydrophobicContact CB-CD1 3.78Å; L508-G510 VanDerWaalsContact CD1-O 3.3Å; L508-G510 WeakPolarHBondContact CD1-O 3.38Å; L508-V530 HydrophobicContact CD2-CG1 4.33Å; L508-V530 HydrophobicContact CD2-CG2 4.17Å; L508-V530 HydrophobicContact CG-CG1 4.49Å; L508-V530 HydrophobicContact CG-CG2 4.21Å
509	T	98.3	Very high	88.7	Confident	1 Å²	1	28 Å²	28	1%	0.006	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	-30.1	-175.7	54.5	0	0	0	0	112	I424 L427 V428 H498 K500 F507 V530	I424-T509 HydrophobicContact CG2-CG2 4.11Å; L427-T509 HydrophobicContact CD2-CG2 4.26Å; V428-T509 VanDerWaalsContact CG2-CB 3.46Å; V428-T509 HydrophobicContact CG2-CG2 3.67Å; H498-T509 PolarHBondContact CE1-OG1 3.4Å; H498-T509 PolarHBondContact ND1-OG1 3.37Å; H498-T509 PolarHBondContact O-N 3.17Å; H498-T509 PolarHBondContact O-OG1 2.87Å; K500-T509 HydrophobicContact CB-CG2 4.12Å; F507-T509 PolarHBondContact O-N 2.99Å; T509-V530 PolarHBondContact O-N 3.21Å
510	G	98.1	Very high	87.4	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	171.8	174.1	0	0	0	0	0	112.9	H498 L508 T528	H498-G510 PolarHBondContact N-O 2.83Å; H498-G510 PolarHBondContact O-N 3.39Å; L508-G510 VanDerWaalsContact CD1-O 3.3Å; L508-G510 WeakPolarHBondContact CD1-O 3.38Å; G510-T528 WeakPolarHBondContact CA-O 3Å
511	I	98.2	Very high	86.3	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	131.6	172.4	-61.7	162.7	0	0	0	107	I344 A346 I398 G496 S513 Y527 T528 V530	I344-I511 HydrophobicContact CD1-CD1 3.96Å; I344-I511 HydrophobicContact CG1-CD1 3.79Å; A346-I511 HydrophobicContact CB-CG2 4.19Å; I398-I511 HydrophobicContact CB-CD1 4.16Å; I398-I511 HydrophobicContact CD1-CD1 3.63Å; I398-I511 HydrophobicContact CG1-CD1 3.53Å; G496-I511 WeakPolarHBondContact O-CA 3.01Å; I511-S513 PolarHBondContact O-N 2.94Å; I511-Y527 CarbonylContact O-C 3.57Å; I511-Y527 WeakPolarHBondContact O-CA 3.12Å; I511-T528 PolarHBondContact N-O 2.94Å; I511-T528 VanDerWaalsContact N-O 3.15Å; I511-T528 PolarHBondContact O-N 3.18Å; I511-V530 HydrophobicContact CD1-CG2 3.9Å; I511-V530 HydrophobicContact CG1-CG2 3.71Å
512	V	95.6	Very high	85.4	Confident	11 Å²	11	37.2 Å²	37.2	7%	0.067	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	121.5	174.8	-179	0	0	0	0	108.7	V436 A489 D493 G495 G496 Y527	V436-V512 HydrophobicContact CG1-CG2 3.68Å; A489-V512 HydrophobicContact CB-CG1 4.38Å; D493-V512 HydrophobicContact CB-CG1 4.1Å; D493-V512 HydrophobicContact CB-CG2 4.44Å; D493-V512 VanDerWaalsContact O-CB 3.31Å; D493-V512 WeakPolarHBondContact O-CB 3.37Å; G495-V512 PolarHBondContact N-O 2.98Å; G496-V512 PolarHBondContact O-N 3.37Å; V512-Y527 HydrophobicContact CB-CE1 4.45Å; V512-Y527 HydrophobicContact CG2-CD1 4.16Å; V512-Y527 HydrophobicContact CG2-CE1 3.78Å
513	S	91.4	Very high	84.9	Confident	1 Å²	1	37.8 Å²	37.8	1%	0.007	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	-62.4	-176.2	-178.2	0	0	0	0	111.6	H348 D397 I511 V526	H348-S513 PolarHBondContact CE1-O 2.96Å; D397-S513 WeakPolarHBondContact OD2-CB 3.34Å; D397-S513 PolarHBondContact OD2-OG 3.14Å; I511-S513 PolarHBondContact O-N 2.94Å; S513-V526 PolarHBondContact N-O 3.31Å; S513-V526 VanDerWaalsContact N-O 3.14Å
514	W	85.5	Confident	84.8	Confident	30 Å²	30	33.9 Å²	33.9	11%	0.114	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	174.3	-179.1	64.8	-80.6	0	0	0	112.3	Y394 E471 I473 E516 V526	Y394-W514 HydrophobicContact CD1-CB 3.73Å; Y394-W514 AromaticContact CD1-CD1 3.7Å; Y394-W514 AromaticContact CD1-CG 3.87Å; Y394-W514 HydrophobicContact CD1-CG 3.87Å; Y394-W514 HydrophobicContact CD2-CB 4.12Å; Y394-W514 AromaticContact CD2-CD1 3.76Å; Y394-W514 HydrophobicContact CD2-CD2 4.01Å; Y394-W514 AromaticContact CD2-CG 3.7Å; Y394-W514 HydrophobicContact CD2-CG 3.7Å; Y394-W514 HydrophobicContact CE1-CB 3.59Å; Y394-W514 HydrophobicContact CE1-CG 4.17Å; Y394-W514 HydrophobicContact CE2-CB 3.97Å; Y394-W514 HydrophobicContact CE2-CD2 4.31Å; Y394-W514 AromaticContact CE2-CG 3.99Å; Y394-W514 HydrophobicContact CE2-CG 3.99Å; Y394-W514 HydrophobicContact CG-CB 4Å; Y394-W514 AromaticContact CG-CD1 3.31Å; Y394-W514 HydrophobicContact CG-CD2 4.35Å; Y394-W514 AromaticContact CG-CG 3.63Å; Y394-W514 HydrophobicContact CG-CG 3.63Å; Y394-W514 AromaticContact CG-NE1 3.84Å; E471-W514 HydrophobicContact CB-CH2 3.58Å; E471-W514 HydrophobicContact CB-CZ2 4.29Å; E471-W514 HydrophobicContact CB-CZ3 3.99Å; E471-W514 HydrophobicContact CG-CH2 4.35Å; E471-W514 HydrophobicContact CG-CZ3 4.27Å; I473-W514 HydrophobicContact CG1-CH2 4.4Å; I473-W514 HydrophobicContact CG1-CZ2 4.22Å; W514-E516 HydrophobicContact CZ3-CG 4.04Å; W514-V526 HydrophobicContact CD2-CB 4.04Å; W514-V526 HydrophobicContact CD2-CG2 4.13Å; W514-V526 HydrophobicContact CE3-CG2 4.37Å; W514-V526 HydrophobicContact CG-CB 4.26Å; W514-V526 HydrophobicContact CH2-CG2 3.91Å; W514-V526 HydrophobicContact CZ2-CB 4.05Å; W514-V526 HydrophobicContact CZ2-CG1 3.95Å; W514-V526 HydrophobicContact CZ2-CG2 3.69Å; W514-V526 HydrophobicContact CZ3-CG2 4.27Å; W514-V526 PolarHBondContact N-O 3.16Å; W514-V526 WeakPolarHBondContact O-CA 3.46Å; W514-V526 WeakPolarHBondContact O-CB 3.39Å; W514-V526 PolarHBondContact O-N 3.29Å
515	G	77.1	Confident	84.8	Confident	38 Å²	38	28.4 Å²	28.4	39%	0.392	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.1	154.5	174.9	0	0	0	0	0	111.7	E517	G515-E517 PolarHBondContact O-N 2.88Å
516	E	68.7	Low	84.6	Confident	48 Å²	48	28.5 Å²	28.5	22%	0.224	15%	0.148	C	C	.	.	S	Bend	trans	-89.1	92.2	176.7	-70	-176.3	119.4	0	0	110.6	S469 W514 K523	S469-E516 WeakPolarHBondContact CA-OE2 3.44Å; W514-E516 HydrophobicContact CZ3-CG 4.04Å; E516-K523 HydrophobicContact CB-CD 4.18Å; E516-K523 HydrophobicContact CB-CG 4.22Å; E516-K523 IonicContact OE1-NZ 2.71Å; E516-K523 VanDerWaalsContact OE2-CD 3.24Å; E516-K523 WeakPolarHBondContact OE2-CD 3.39Å; E516-K523 WeakPolarHBondContact OE2-CE 3.27Å; E516-K523 IonicContact OE2-NZ 3.13Å; E516-K523 PolarHBondContact OE2-NZ 2.93Å
517	E	66	Low	84.5	Confident	80 Å²	80	26 Å²	26	37%	0.374	14%	0.138	S	C	.	.	S	Bend	trans	61.1	170.7	-167.8	-50.7	172.2	-150.5	0	0	111.1	F444 G515 K520	F444-E517 HydrophobicContact CD1-CG 4.49Å; F444-E517 HydrophobicContact CD2-CB 3.64Å; F444-E517 HydrophobicContact CD2-CG 4.02Å; F444-E517 HydrophobicContact CE1-CG 4.14Å; F444-E517 HydrophobicContact CE2-CB 3.78Å; F444-E517 HydrophobicContact CE2-CG 3.63Å; F444-E517 HydrophobicContact CG-CB 4.04Å; F444-E517 HydrophobicContact CG-CG 4.43Å; F444-E517 HydrophobicContact CZ-CB 4.27Å; F444-E517 HydrophobicContact CZ-CG 3.7Å; G515-E517 PolarHBondContact O-N 2.88Å; E517-K520 HydrophobicContact CB-CB 4.07Å; E517-K520 HydrophobicContact CB-CD 4.22Å; E517-K520 HydrophobicContact CG-CD 4.25Å; E517-K520 IonicContact OE1-NZ 3.43Å; E517-K520 PolarHBondContact OE1-NZ 3.05Å; E517-K520 WeakPolarHBondContact OE2-CD 3.34Å; E517-K520 IonicContact OE2-NZ 3.99Å
518	C	63.3	Low	84.5	Confident	13 Å²	13	26 Å²	26	9%	0.088	14%	0.138	C	C	.	.	S	Bend	trans	-102.8	122.1	-177.5	-52	0	0	0	0	109.8	F444 C490 K520	F444-C518 HydrophobicContact CB-CB 4.24Å; C490-C518 WeakPolarHBondContact CA-SG 3.02Å; C490-C518 HydrophobicContact CB-CB 3.57Å; C490-C518 WeakPolarHBondContact CB-SG 3.32Å; C490-C518 WeakPolarHBondContact SG-CB 3.35Å; C490-C518 CovalentContact SG-SG 2.01Å; C490-C518 PolarHBondContact SG-SG 3.13Å; C518-K520 PolarHBondContact O-N 3.32Å
519	A	59.7	Low	84.5	Confident	21 Å²	21	28 Å²	28	17%	0.174	15%	0.146	C	C	.	.	S	Bend	trans	54.6	37.7	180	0	0	0	0	0	113.6	V307 A486 D488	V307-A519 HydrophobicContact CB-CB 3.56Å; V307-A519 HydrophobicContact CG1-CB 3.76Å; V307-A519 HydrophobicContact CG2-CB 3.5Å; V307-A519 VanDerWaalsContact CG2-CB 3.5Å; A486-A519 HydrophobicContact CB-CB 4.47Å; D488-A519 HydrophobicContact CB-CB 3.63Å; D488-A519 PolarHBondContact OD2-N 2.74Å
520	K	72	Confident	84.5	Confident	82 Å²	82	28.1 Å²	28.1	36%	0.357	15%	0.146	S	C	.	.			trans	-73.1	134.7	172.3	179.2	177.2	-167.3	164.4	0	109.1	E517 C518 G522 K523	E517-K520 HydrophobicContact CB-CB 4.07Å; E517-K520 HydrophobicContact CB-CD 4.22Å; E517-K520 HydrophobicContact CG-CD 4.25Å; E517-K520 IonicContact OE1-NZ 3.43Å; E517-K520 PolarHBondContact OE1-NZ 3.05Å; E517-K520 WeakPolarHBondContact OE2-CD 3.34Å; E517-K520 IonicContact OE2-NZ 3.99Å; C518-K520 PolarHBondContact O-N 3.32Å; K520-G522 PolarHBondContact O-N 3Å; K520-K523 HydrophobicContact CB-CB 4.09Å; K520-K523 HydrophobicContact CB-CG 3.9Å; K520-K523 HydrophobicContact CD-CG 3.76Å; K520-K523 HydrophobicContact CG-CG 3.87Å; K520-K523 WeakPolarHBondContact O-CB 3.34Å; K520-K523 PolarHBondContact O-N 3.21Å
521	E	72.8	Confident	84.4	Confident	152 Å²	152	28.2 Å²	28.2	71%	0.71	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.3	130.4	175.6	-170.5	-179.4	171.2	0	0	110.7	K523	E521-K523 VanDerWaalsContact C-N 3.28Å; E521-K523 PolarHBondContact O-N 3.46Å
522	G	77.3	Confident	84.4	Confident	11 Å²	11	31 Å²	31	11%	0.113	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	12	-178	0	0	0	0	0	115.3	S468 Y483 K520	S468-G522 VanDerWaalsContact CB-O 3.28Å; S468-G522 WeakPolarHBondContact CB-O 3.24Å; Y483-G522 PolarHBondContact O-N 2.81Å; K520-G522 PolarHBondContact O-N 3Å
523	K	84.8	Confident	84.5	Confident	36 Å²	36	30.7 Å²	30.7	16%	0.157	16%	0.162	C	C	.	.			trans	-119.8	160.4	174.6	-57.5	-58.1	-173.8	167.1	0	111.7	S468 E516 K520 E521	S468-K523 WeakPolarHBondContact O-CD 3.36Å; S468-K523 WeakPolarHBondContact O-CE 3.3Å; S468-K523 PolarHBondContact O-NZ 3.17Å; E516-K523 HydrophobicContact CB-CD 4.18Å; E516-K523 HydrophobicContact CB-CG 4.22Å; E516-K523 IonicContact OE1-NZ 2.71Å; E516-K523 VanDerWaalsContact OE2-CD 3.24Å; E516-K523 WeakPolarHBondContact OE2-CD 3.39Å; E516-K523 WeakPolarHBondContact OE2-CE 3.27Å; E516-K523 IonicContact OE2-NZ 3.13Å; E516-K523 PolarHBondContact OE2-NZ 2.93Å; K520-K523 HydrophobicContact CB-CB 4.09Å; K520-K523 HydrophobicContact CB-CG 3.9Å; K520-K523 HydrophobicContact CD-CG 3.76Å; K520-K523 HydrophobicContact CG-CG 3.87Å; K520-K523 WeakPolarHBondContact O-CB 3.34Å; K520-K523 PolarHBondContact O-N 3.21Å; E521-K523 VanDerWaalsContact C-N 3.28Å; E521-K523 PolarHBondContact O-N 3.46Å
524	Y	89.3	Confident	84.8	Confident	13 Å²	13	32.9 Å²	32.9	5%	0.051	17%	0.17	C	C	.	.			trans	-134.8	150.8	-177.4	-59.1	-65.1	0	0	0	111.3	V460 E464 S468 C479 Y483	V460-Y524 HydrophobicContact CG1-CD2 3.9Å; V460-Y524 HydrophobicContact CG1-CE1 4.29Å; V460-Y524 HydrophobicContact CG1-CE2 3.6Å; V460-Y524 HydrophobicContact CG1-CG 4.37Å; V460-Y524 HydrophobicContact CG2-CD1 3.59Å; V460-Y524 HydrophobicContact CG2-CD2 4.33Å; V460-Y524 HydrophobicContact CG2-CE1 3.61Å; V460-Y524 HydrophobicContact CG2-CE2 4.36Å; V460-Y524 HydrophobicContact CG2-CG 3.94Å; E464-Y524 HydrophobicContact CG-CE2 4.16Å; E464-Y524 PolarHBondContact OE1-OH 2.03Å; S468-Y524 WeakPolarHBondContact OG-CD2 3.28Å; C479-Y524 HydrophobicContact CB-CD2 4.47Å; C479-Y524 HydrophobicContact CB-CG 4.26Å; Y483-Y524 WeakPolarHBondContact CB-OH 3.34Å; Y483-Y524 WeakPolarHBondContact CD2-OH 3.03Å
525	G	90	Very high	85.2	Confident	4 Å²	4	36 Å²	36	4%	0.041	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	138.5	164.9	0	0	0	0	0	111.1	C479 A480 D488 Y527	C479-G525 VanDerWaalsContact CA-O 3.27Å; C479-G525 WeakPolarHBondContact CA-O 3.01Å; A480-G525 PolarHBondContact N-O 2.85Å; A480-G525 PolarHBondContact O-N 2.71Å; D488-G525 PolarHBondContact OD1-N 2.86Å; G525-Y527 VanDerWaalsContact C-CE2 3.47Å; G525-Y527 WeakPolarHBondContact O-CD2 2.99Å; G525-Y527 WeakPolarHBondContact O-CE2 3.38Å
526	V	93.7	Very high	86.2	Confident	3 Å²	3	36.1 Å²	36.1	2%	0.018	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	129.2	-179.7	-173.5	0	0	0	0	110.2	I473 M477 S513 W514	I473-V526 HydrophobicContact CD1-CG2 4.39Å; M477-V526 HydrophobicContact CB-CG1 3.98Å; M477-V526 HydrophobicContact CG-CG1 4.38Å; M477-V526 HydrophobicContact SD-CG1 4.07Å; S513-V526 PolarHBondContact N-O 3.31Å; S513-V526 VanDerWaalsContact N-O 3.14Å; W514-V526 HydrophobicContact CD2-CB 4.04Å; W514-V526 HydrophobicContact CD2-CG2 4.13Å; W514-V526 HydrophobicContact CE3-CG2 4.37Å; W514-V526 HydrophobicContact CG-CB 4.26Å; W514-V526 HydrophobicContact CH2-CG2 3.91Å; W514-V526 HydrophobicContact CZ2-CB 4.05Å; W514-V526 HydrophobicContact CZ2-CG1 3.95Å; W514-V526 HydrophobicContact CZ2-CG2 3.69Å; W514-V526 HydrophobicContact CZ3-CG2 4.27Å; W514-V526 PolarHBondContact N-O 3.16Å; W514-V526 WeakPolarHBondContact O-CA 3.46Å; W514-V526 WeakPolarHBondContact O-CB 3.39Å; W514-V526 PolarHBondContact O-N 3.29Å
527	Y	96.4	Very high	87.6	Confident	1 Å²	1	33.9 Å²	33.9	0%	0.004	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	140.5	-172.4	-57.4	-97.4	0	0	0	110.8	V436 M477 F478 A480 H498 I511 V512 G525 R529	V436-Y527 HydrophobicContact CG1-CE1 4.23Å; V436-Y527 HydrophobicContact CG2-CE1 3.72Å; M477-Y527 CarbonylContact C-O 2.82Å; M477-Y527 VanDerWaalsContact CA-O 3.25Å; M477-Y527 WeakPolarHBondContact CA-O 3.46Å; F478-Y527 HydrophobicContact CE2-CD2 4.16Å; F478-Y527 HydrophobicContact CE2-CG 4.2Å; F478-Y527 HydrophobicContact CZ-CG 4.17Å; F478-Y527 PolarHBondContact N-O 2.04Å; F478-Y527 PolarHBondContact O-N 2.02Å; A480-Y527 HydrophobicContact CB-CD2 4.03Å; A480-Y527 HydrophobicContact CB-CE2 3.64Å; H498-Y527 HydrophobicContact CB-CD1 3.64Å; H498-Y527 HydrophobicContact CB-CE1 3.92Å; H498-Y527 HydrophobicContact CB-CG 4.46Å; H498-Y527 AromaticContact CD2-CD1 3.81Å; H498-Y527 AromaticContact CD2-CE1 3.67Å; H498-Y527 AromaticContact CD2-CZ 3.93Å; I511-Y527 CarbonylContact O-C 3.57Å; I511-Y527 WeakPolarHBondContact O-CA 3.12Å; V512-Y527 HydrophobicContact CB-CE1 4.45Å; V512-Y527 HydrophobicContact CG2-CD1 4.16Å; V512-Y527 HydrophobicContact CG2-CE1 3.78Å; G525-Y527 VanDerWaalsContact C-CE2 3.47Å; G525-Y527 WeakPolarHBondContact O-CD2 2.99Å; G525-Y527 WeakPolarHBondContact O-CE2 3.38Å; Y527-R529 PolarHBondContact O-N 2.84Å
528	T	98.2	Very high	88.9	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	127.4	170.3	-56.5	0	0	0	0	108.8	D397 I398 G510 I511 V530 Y533	D397-T528 PolarHBondContact O-OG1 3.34Å; I398-T528 HydrophobicContact CB-CG2 4.14Å; I398-T528 HydrophobicContact CG2-CG2 4.45Å; G510-T528 WeakPolarHBondContact CA-O 3Å; I511-T528 PolarHBondContact N-O 2.94Å; I511-T528 VanDerWaalsContact N-O 3.15Å; I511-T528 PolarHBondContact O-N 3.18Å; T528-V530 PolarHBondContact O-N 3Å; T528-V530 VanDerWaalsContact O-N 3.16Å; T528-Y533 HydrophobicContact CG2-CD2 4.25Å; T528-Y533 HydrophobicContact CG2-CE2 3.62Å
529	R	97.9	Very high	90.4	Very high	40 Å²	40	41 Å²	41	15%	0.151	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	93.3	-174.9	-170	-174.8	-73.3	-108.1	3	111.4	E425 Q462 P475 V476 M477 F478 Y527 S531 V532 Y533	E425-R529 VanDerWaalsContact CD-NH1 3.35Å; E425-R529 VanDerWaalsContact OE1-CD 3.28Å; E425-R529 WeakPolarHBondContact OE1-CD 3.25Å; E425-R529 WeakPolarHBondContact OE1-CG 3.42Å; E425-R529 IonicContact OE1-NH1 3.99Å; E425-R529 PolarHBondContact OE1-NH1 3.33Å; E425-R529 IonicContact OE2-CZ 3.73Å; E425-R529 IonicContact OE2-NH1 2.81Å; E425-R529 PolarHBondContact OE2-NH1 3Å; Q462-R529 VanDerWaalsContact OE1-NH2 3.17Å; P475-R529 PolarHBondContact O-NE 3.43Å; V476-R529 WeakPolarHBondContact O-CB 3.04Å; V476-R529 PolarHBondContact O-N 2.82Å; M477-R529 PolarHBondContact O-NE 3.22Å; M477-R529 PolarHBondContact O-NH2 2.81Å; F478-R529 HydrophobicContact CD1-CB 3.92Å; F478-R529 HydrophobicContact CD1-CG 4.12Å; F478-R529 HydrophobicContact CE1-CB 4.44Å; Y527-R529 PolarHBondContact O-N 2.84Å; R529-S531 VanDerWaalsContact C-N 3.26Å; R529-S531 WeakPolarHBondContact CG-OG 3.42Å; R529-S531 PolarHBondContact O-N 3.02Å; R529-V532 HydrophobicContact CB-CG2 4.3Å; R529-V532 HydrophobicContact CG-CG2 3.99Å; R529-V532 PolarHBondContact O-N 3.37Å; R529-Y533 VanDerWaalsContact O-CD2 3.22Å; R529-Y533 WeakPolarHBondContact O-CD2 3.36Å
530	V	98.1	Very high	92	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.024	19%	0.194	C	C	.	.	H	α-helix	trans	-60.2	-32.2	-171.6	170.7	0	0	0	0	113.4	L508 T509 I511 T528 V532 Y533 Y534 I537	L508-V530 HydrophobicContact CD2-CG1 4.33Å; L508-V530 HydrophobicContact CD2-CG2 4.17Å; L508-V530 HydrophobicContact CG-CG1 4.49Å; L508-V530 HydrophobicContact CG-CG2 4.21Å; T509-V530 PolarHBondContact O-N 3.21Å; I511-V530 HydrophobicContact CD1-CG2 3.9Å; I511-V530 HydrophobicContact CG1-CG2 3.71Å; T528-V530 PolarHBondContact O-N 3Å; T528-V530 VanDerWaalsContact O-N 3.16Å; V530-V532 PolarHBondContact O-N 3.33Å; V530-Y533 PolarHBondContact O-N 3.04Å; V530-Y534 PolarHBondContact O-N 3.47Å; V530-I537 HydrophobicContact CG1-CD1 4.03Å
531	S	97.1	Very high	93	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.021	19%	0.186	C	C	.	.	H	α-helix	trans	-52.4	-38.6	178.3	63.2	0	0	0	0	113.1	E425 R529 Y533 Y534	E425-S531 WeakPolarHBondContact OE1-CB 3Å; E425-S531 PolarHBondContact OE1-OG 3.16Å; R529-S531 VanDerWaalsContact C-N 3.26Å; R529-S531 WeakPolarHBondContact CG-OG 3.42Å; R529-S531 PolarHBondContact O-N 3.02Å; S531-Y533 PolarHBondContact O-N 3.48Å; S531-Y534 WeakPolarHBondContact O-CB 3.28Å; S531-Y534 PolarHBondContact O-N 2.78Å
532	V	97.6	Very high	93.6	Very high	58 Å²	58	33 Å²	33	35%	0.352	17%	0.167	S	C	.	.	H	α-helix	trans	-67.6	-27.6	-179.3	178.5	0	0	0	0	111.5	M421 V476 R529 V530	M421-V532 HydrophobicContact CE-CG2 4.38Å; V476-V532 HydrophobicContact CG1-CG1 4.11Å; R529-V532 HydrophobicContact CB-CG2 4.3Å; R529-V532 HydrophobicContact CG-CG2 3.99Å; R529-V532 PolarHBondContact O-N 3.37Å; V530-V532 PolarHBondContact O-N 3.33Å
533	Y	98.1	Very high	93.7	Very high	5 Å²	5	34.7 Å²	34.7	2%	0.02	18%	0.175	C	C	.	.	H	α-helix	trans	-96.8	-1.6	-175.7	-61.2	-81.4	0	0	0	113.3	H384 H396 I398 V476 T528 R529 V530 S531 S535 W536 I537	H384-Y533 AromaticContact CD2-CD1 3.42Å; H384-Y533 VanDerWaalsContact CD2-CD1 3.42Å; H384-Y533 WeakPolarHBondContact CD2-CD1 3.34Å; H384-Y533 AromaticContact CD2-CE1 3.61Å; H384-Y533 AromaticContact CE1-CE1 3.84Å; H384-Y533 AromaticContact CG-CE1 3.87Å; H384-Y533 AromaticContact ND1-CE1 4Å; H384-Y533 AromaticContact NE2-CD1 3.51Å; H384-Y533 AromaticContact NE2-CE1 3.6Å; H396-Y533 VanDerWaalsContact CA-OH 3.26Å; H396-Y533 WeakPolarHBondContact CA-OH 3.28Å; H396-Y533 HydrophobicContact CB-CE1 4.49Å; H396-Y533 AromaticContact ND1-CE1 3.81Å; H396-Y533 AromaticContact ND1-CZ 3.73Å; H396-Y533 PolarHBondContact ND1-OH 3.49Å; I398-Y533 HydrophobicContact CD1-CD2 4.11Å; I398-Y533 HydrophobicContact CD1-CG 3.96Å; I398-Y533 HydrophobicContact CG2-CD1 3.81Å; I398-Y533 HydrophobicContact CG2-CD2 4.32Å; I398-Y533 HydrophobicContact CG2-CE1 3.73Å; I398-Y533 HydrophobicContact CG2-CE2 4.31Å; I398-Y533 HydrophobicContact CG2-CG 4.08Å; V476-Y533 HydrophobicContact CB-CE2 4.3Å; V476-Y533 WeakPolarHBondContact CB-OH 3.16Å; V476-Y533 WeakPolarHBondContact CG2-OH 3.31Å; T528-Y533 HydrophobicContact CG2-CD2 4.25Å; T528-Y533 HydrophobicContact CG2-CE2 3.62Å; R529-Y533 VanDerWaalsContact O-CD2 3.22Å; R529-Y533 WeakPolarHBondContact O-CD2 3.36Å; V530-Y533 PolarHBondContact O-N 3.04Å; S531-Y533 PolarHBondContact O-N 3.48Å; Y533-S535 VanDerWaalsContact C-N 3.3Å; Y533-S535 PolarHBondContact O-N 3.28Å; Y533-W536 HydrophobicContact CD1-CE3 4.47Å; Y533-W536 PolarHBondContact O-N 2.96Å; Y533-I537 WeakPolarHBondContact O-CG1 3.39Å; Y533-I537 PolarHBondContact O-N 3.2Å
534	Y	96.6	Very high	93.1	Very high	48 Å²	48	33.3 Å²	33.3	19%	0.188	17%	0.17	C	C	.	.	H	α-helix	trans	-51.4	-46.5	-173.9	179.6	-109.3	0	0	0	113.1	I418 G419 P420 V530 S531 W536 I537 K538	I418-Y534 HydrophobicContact CB-CD2 4.4Å; I418-Y534 HydrophobicContact CB-CE2 4.39Å; I418-Y534 HydrophobicContact CD1-CD2 4.3Å; I418-Y534 HydrophobicContact CD1-CE2 4.16Å; I418-Y534 HydrophobicContact CG1-CD2 4.44Å; I418-Y534 HydrophobicContact CG1-CE2 4.09Å; G419-Y534 VanDerWaalsContact C-CD2 3.42Å; G419-Y534 WeakPolarHBondContact O-CD2 3.49Å; G419-Y534 WeakPolarHBondContact O-CE2 3.17Å; G419-Y534 VanDerWaalsContact O-CG 3.26Å; P420-Y534 HydrophobicContact CB-CD1 4.42Å; P420-Y534 HydrophobicContact CB-CE1 4.15Å; P420-Y534 HydrophobicContact CG-CE1 3.99Å; V530-Y534 PolarHBondContact O-N 3.47Å; S531-Y534 WeakPolarHBondContact O-CB 3.28Å; S531-Y534 PolarHBondContact O-N 2.78Å; Y534-W536 PolarHBondContact O-N 2.68Å; Y534-I537 PolarHBondContact O-N 2.82Å; Y534-K538 HydrophobicContact CD1-CG 4.48Å; Y534-K538 HydrophobicContact CD2-CG 4.28Å; Y534-K538 HydrophobicContact CE1-CG 4.14Å; Y534-K538 HydrophobicContact CE2-CD 4.11Å; Y534-K538 HydrophobicContact CE2-CG 3.9Å; Y534-K538 WeakPolarHBondContact O-CB 3.29Å; Y534-K538 VanDerWaalsContact O-CG 3.32Å; Y534-K538 WeakPolarHBondContact O-CG 2.94Å; Y534-K538 PolarHBondContact O-N 3.21Å
535	S	95.6	Very high	92.1	Very high	95 Å²	95	40.2 Å²	40.2	66%	0.664	20%	0.2	S	C	*	.	H	α-helix	trans	-63.4	-41.1	178.3	-59	0	0	0	0	112.7	Y533 Y539	Y533-S535 VanDerWaalsContact C-N 3.3Å; Y533-S535 PolarHBondContact O-N 3.28Å; S535-Y539 VanDerWaalsContact O-CB 3.26Å; S535-Y539 WeakPolarHBondContact O-CB 3.41Å; S535-Y539 PolarHBondContact O-N 3.36Å
536	W	97.3	Very high	91.1	Very high	41 Å²	41	47 Å²	47	16%	0.155	22%	0.224	C	C	.	.	H	α-helix	trans	-66.3	-45.1	176.4	167.4	77.8	0	0	0	111.3	H384 I398 L400 Y533 Y534 K538 Y539 A540	H384-W536 HydrophobicContact CB-CH2 4.29Å; H384-W536 HydrophobicContact CB-CZ2 4.24Å; H384-W536 AromaticContact CD2-CD2 3.46Å; H384-W536 VanDerWaalsContact CD2-CD2 3.46Å; H384-W536 AromaticContact CD2-CE2 3.7Å; H384-W536 AromaticContact CD2-CE3 3.75Å; H384-W536 AromaticContact CD2-CG 3.72Å; H384-W536 AromaticContact NE2-CG 3.97Å; I398-W536 HydrophobicContact CD1-CZ3 3.99Å; I398-W536 HydrophobicContact CG1-CZ3 3.99Å; I398-W536 HydrophobicContact CG2-CZ3 4.26Å; L400-W536 HydrophobicContact CB-CH2 4.41Å; L400-W536 HydrophobicContact CD1-CH2 3.87Å; L400-W536 HydrophobicContact CD1-CZ2 4.21Å; L400-W536 HydrophobicContact CD1-CZ3 4.06Å; L400-W536 HydrophobicContact CG-CH2 3.67Å; L400-W536 HydrophobicContact CG-CZ2 4.38Å; L400-W536 HydrophobicContact CG-CZ3 3.97Å; Y533-W536 HydrophobicContact CD1-CE3 4.47Å; Y533-W536 PolarHBondContact O-N 2.96Å; Y534-W536 PolarHBondContact O-N 2.68Å; W536-K538 PolarHBondContact O-N 2.92Å; W536-Y539 PolarHBondContact O-N 2.81Å; W536-A540 WeakPolarHBondContact O-CB 3.47Å; W536-A540 PolarHBondContact O-N 2.86Å
537	I	97.4	Very high	90.1	Very high	0 Å²	0	54 Å²	54	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-57.5	-50.3	177.9	-63.4	166.4	0	0	0	109.8	L338 I344 I398 L400 I418 V530 Y533 Y534 Y539 A540 M541	L338-I537 HydrophobicContact CD1-CG2 3.83Å; I344-I537 HydrophobicContact CD1-CD1 3.73Å; I344-I537 HydrophobicContact CD1-CG1 4.29Å; I398-I537 HydrophobicContact CD1-CD1 4.25Å; L400-I537 HydrophobicContact CD2-CG2 4.41Å; I418-I537 HydrophobicContact CD1-CB 4.44Å; I418-I537 HydrophobicContact CD1-CG2 3.59Å; V530-I537 HydrophobicContact CG1-CD1 4.03Å; Y533-I537 WeakPolarHBondContact O-CG1 3.39Å; Y533-I537 PolarHBondContact O-N 3.2Å; Y534-I537 PolarHBondContact O-N 2.82Å; I537-Y539 VanDerWaalsContact C-N 3.35Å; I537-Y539 PolarHBondContact O-N 3.17Å; I537-A540 PolarHBondContact O-N 2.86Å; I537-M541 HydrophobicContact CG2-CG 4.41Å; I537-M541 HydrophobicContact CG2-SD 3.62Å; I537-M541 WeakPolarHBondContact O-CB 3.18Å; I537-M541 WeakPolarHBondContact O-CG 3.3Å; I537-M541 PolarHBondContact O-N 2.71Å
538	K	94.9	Very high	88.6	Confident	95 Å²	95	56.4 Å²	56.4	41%	0.413	26%	0.263	S	S	.	.	H	α-helix	trans	-61.1	-42.4	178	-70.3	-67.6	-63	-174.3	0	112.2	I418 Y534 W536 S542	I418-K538 HydrophobicContact CD1-CD 4.32Å; Y534-K538 HydrophobicContact CD1-CG 4.48Å; Y534-K538 HydrophobicContact CD2-CG 4.28Å; Y534-K538 HydrophobicContact CE1-CG 4.14Å; Y534-K538 HydrophobicContact CE2-CD 4.11Å; Y534-K538 HydrophobicContact CE2-CG 3.9Å; Y534-K538 WeakPolarHBondContact O-CB 3.29Å; Y534-K538 VanDerWaalsContact O-CG 3.32Å; Y534-K538 WeakPolarHBondContact O-CG 2.94Å; Y534-K538 PolarHBondContact O-N 3.21Å; W536-K538 PolarHBondContact O-N 2.92Å; K538-S542 WeakPolarHBondContact O-CB 3.35Å; K538-S542 PolarHBondContact O-N 2.69Å; K538-S542 VanDerWaalsContact O-N 3.14Å; K538-S542 PolarHBondContact O-OG 3.33Å
539	Y	94.2	Very high	87.1	Confident	147 Å²	147	59 Å²	59	58%	0.576	28%	0.284	S	S	*	.	H	α-helix	trans	-63.2	-54	178.3	176.7	-98.7	0	0	0	111.4	S535 W536 I537 M541 S542 V543	S535-Y539 VanDerWaalsContact O-CB 3.26Å; S535-Y539 WeakPolarHBondContact O-CB 3.41Å; S535-Y539 PolarHBondContact O-N 3.36Å; W536-Y539 PolarHBondContact O-N 2.81Å; I537-Y539 VanDerWaalsContact C-N 3.35Å; I537-Y539 PolarHBondContact O-N 3.17Å; Y539-M541 PolarHBondContact O-N 3.41Å; Y539-S542 PolarHBondContact O-N 2.9Å; Y539-S542 PolarHBondContact O-OG 3.31Å; Y539-V543 HydrophobicContact CD1-CG2 4.2Å; Y539-V543 HydrophobicContact CD2-CG2 3.92Å; Y539-V543 HydrophobicContact CE1-CG2 3.84Å; Y539-V543 HydrophobicContact CE2-CG2 3.53Å; Y539-V543 HydrophobicContact CG-CG2 4.25Å; Y539-V543 VanDerWaalsContact CZ-CG2 3.49Å; Y539-V543 WeakPolarHBondContact O-CG2 3.44Å; Y539-V543 PolarHBondContact O-N 3.45Å
540	A	92.9	Very high	85.3	Confident	7 Å²	7	63.1 Å²	63.1	6%	0.058	31%	0.307	C	S	.	.	H	α-helix	trans	-56.3	-49.3	-179.8	0	0	0	0	0	111.7	L400 W536 I537 S542 V543 T544	L400-A540 HydrophobicContact CD1-CB 3.68Å; W536-A540 WeakPolarHBondContact O-CB 3.47Å; W536-A540 PolarHBondContact O-N 2.86Å; I537-A540 PolarHBondContact O-N 2.86Å; A540-S542 PolarHBondContact O-N 3.34Å; A540-V543 PolarHBondContact O-N 3.14Å; A540-T544 PolarHBondContact O-N 3.03Å; A540-T544 PolarHBondContact O-OG1 2.77Å
541	M	92.3	Very high	83.5	Confident	38 Å²	38	66.8 Å²	66.8	19%	0.187	33%	0.326	C	S	.	.	H	α-helix	trans	-59.8	-31.5	177.1	-68.3	173.8	70.9	0	0	113.2	L338 W342 I537 Y539 K545	L338-M541 HydrophobicContact CB-CE 4.2Å; L338-M541 HydrophobicContact CB-SD 4.5Å; L338-M541 HydrophobicContact CD1-SD 3.99Å; W342-M541 HydrophobicContact CB-CE 4.12Å; W342-M541 HydrophobicContact CD2-CG 3.86Å; W342-M541 HydrophobicContact CE3-CG 4.41Å; W342-M541 HydrophobicContact CG-CE 4.08Å; W342-M541 HydrophobicContact CG-CG 3.91Å; I537-M541 HydrophobicContact CG2-CG 4.41Å; I537-M541 HydrophobicContact CG2-SD 3.62Å; I537-M541 WeakPolarHBondContact O-CB 3.18Å; I537-M541 WeakPolarHBondContact O-CG 3.3Å; I537-M541 PolarHBondContact O-N 2.71Å; Y539-M541 PolarHBondContact O-N 3.41Å; M541-K545 WeakPolarHBondContact O-CB 3.32Å
542	S	87.3	Confident	81.7	Confident	44 Å²	44	72.7 Å²	72.7	31%	0.308	36%	0.362	S	S	.	.	H	α-helix	trans	-82.4	-36.5	179.4	77.1	0	0	0	0	114	K538 Y539 A540 R546	K538-S542 WeakPolarHBondContact O-CB 3.35Å; K538-S542 PolarHBondContact O-N 2.69Å; K538-S542 VanDerWaalsContact O-N 3.14Å; K538-S542 PolarHBondContact O-OG 3.33Å; Y539-S542 PolarHBondContact O-N 2.9Å; Y539-S542 PolarHBondContact O-OG 3.31Å; A540-S542 PolarHBondContact O-N 3.34Å; S542-R546 PolarHBondContact O-N 3.5Å
543	V	78.5	Confident	79.7	Confident	46 Å²	46	77.2 Å²	77.2	28%	0.279	38%	0.379	S	S	.	.	H	α-helix	trans	-74.8	-47.7	-175	169.4	0	0	0	0	110.9	Y539 A540 K545 R546 R547	Y539-V543 HydrophobicContact CD1-CG2 4.2Å; Y539-V543 HydrophobicContact CD2-CG2 3.92Å; Y539-V543 HydrophobicContact CE1-CG2 3.84Å; Y539-V543 HydrophobicContact CE2-CG2 3.53Å; Y539-V543 HydrophobicContact CG-CG2 4.25Å; Y539-V543 VanDerWaalsContact CZ-CG2 3.49Å; Y539-V543 WeakPolarHBondContact O-CG2 3.44Å; Y539-V543 PolarHBondContact O-N 3.45Å; A540-V543 PolarHBondContact O-N 3.14Å; V543-K545 PolarHBondContact O-N 3.11Å; V543-R546 PolarHBondContact O-N 3.37Å; V543-R547 PolarHBondContact O-N 2.78Å
544	T	72	Confident	77.4	Confident	7 Å²	7	85.1 Å²	85.1	4%	0.043	41%	0.41	C	S	.	.	H	α-helix	trans	-62.4	-35.4	176.6	-59.5	0	0	0	0	111.2	W342 Q382 Y402 A540 R546 R547 L548	W342-T544 HydrophobicContact CH2-CG2 4.07Å; W342-T544 HydrophobicContact CZ2-CG2 3.88Å; Q382-T544 PolarHBondContact NE2-OG1 3.3Å; Y402-T544 HydrophobicContact CD2-CG2 4.21Å; Y402-T544 HydrophobicContact CE2-CG2 4.3Å; Y402-T544 HydrophobicContact CG-CG2 4.31Å; A540-T544 PolarHBondContact O-N 3.03Å; A540-T544 PolarHBondContact O-OG1 2.77Å; T544-R546 VanDerWaalsContact C-N 3.29Å; T544-R546 PolarHBondContact O-N 3.25Å; T544-R547 PolarHBondContact O-N 3.24Å; T544-L548 HydrophobicContact CG2-CD1 3.77Å; T544-L548 HydrophobicContact CG2-CG 4.3Å; T544-L548 WeakPolarHBondContact O-CB 3.37Å; T544-L548 WeakPolarHBondContact O-CG 3.25Å; T544-L548 PolarHBondContact O-N 2.9Å
545	K	68.2	Low	75.1	Confident	157 Å²	157	87.9 Å²	87.9	68%	0.683	43%	0.434	S	S	*	.	H	α-helix	trans	-58.9	-40.1	172.2	-173.5	177	-178.9	178.4	0	112	M541 V543 A549	M541-K545 WeakPolarHBondContact O-CB 3.32Å; V543-K545 PolarHBondContact O-N 3.11Å; K545-A549 WeakPolarHBondContact O-CB 3.28Å; K545-A549 PolarHBondContact O-N 3.47Å
546	R	68.9	Low	72.9	Confident	147 Å²	147	90.9 Å²	90.9	56%	0.555	44%	0.443	S	S	*	.	H	α-helix	trans	-73.3	-45.2	177.1	-76.4	-175.5	-73.2	-151	-1.8	112.5	S542 V543 T544 L548 A549 M550	S542-R546 PolarHBondContact O-N 3.5Å; V543-R546 PolarHBondContact O-N 3.37Å; T544-R546 VanDerWaalsContact C-N 3.29Å; T544-R546 PolarHBondContact O-N 3.25Å; R546-L548 VanDerWaalsContact C-N 3.35Å; R546-L548 PolarHBondContact O-N 3.25Å; R546-A549 PolarHBondContact O-N 3.05Å; R546-M550 WeakPolarHBondContact O-CG 3.24Å; R546-M550 PolarHBondContact O-N 3.44Å
547	R	72.9	Confident	70.3	Confident	151 Å²	151	96.7 Å²	96.7	57%	0.57	49%	0.489	S	S	*	.	H	α-helix	trans	-55.4	-50.4	177.4	-177.4	-177.9	176.5	177.6	2.1	111	V543 T544 A549 M550 D551	V543-R547 PolarHBondContact O-N 2.78Å; T544-R547 PolarHBondContact O-N 3.24Å; R547-A549 PolarHBondContact O-N 3.05Å; R547-M550 WeakPolarHBondContact O-CB 3.49Å; R547-M550 PolarHBondContact O-N 2.84Å; R547-M550 VanDerWaalsContact O-N 3.16Å; R547-D551 PolarHBondContact O-N 3.43Å
548	L	64.6	Low	68.9	Low	50 Å²	50	101.6 Å²	101.6	26%	0.262	51%	0.514	S	S	.	.	H	α-helix	trans	-70.3	-30.6	-179.8	-65.5	171.8	0	0	0	113.2	Y402 T544 R546 M550 V552	Y402-L548 HydrophobicContact CD1-CD1 4.16Å; Y402-L548 HydrophobicContact CE1-CD1 3.28Å; Y402-L548 HydrophobicContact CE2-CD1 4.3Å; Y402-L548 WeakPolarHBondContact OH-CD1 3.41Å; T544-L548 HydrophobicContact CG2-CD1 3.77Å; T544-L548 HydrophobicContact CG2-CG 4.3Å; T544-L548 WeakPolarHBondContact O-CB 3.37Å; T544-L548 WeakPolarHBondContact O-CG 3.25Å; T544-L548 PolarHBondContact O-N 2.9Å; R546-L548 VanDerWaalsContact C-N 3.35Å; R546-L548 PolarHBondContact O-N 3.25Å; L548-M550 VanDerWaalsContact C-N 3.32Å; L548-V552 VanDerWaalsContact O-CG2 3.25Å; L548-V552 WeakPolarHBondContact O-CG2 3.34Å; L548-V552 PolarHBondContact O-N 3.25Å; L548-V552 VanDerWaalsContact O-N 3.13Å
549	A	66.3	Low	67.5	Low	55 Å²	55	101.9 Å²	101.9	46%	0.455	52%	0.519	S	S	.	.	H	α-helix	trans	-64.3	-40.6	171	0	0	0	0	0	111.1	K545 R546 R547 V552 E553	K545-A549 WeakPolarHBondContact O-CB 3.28Å; K545-A549 PolarHBondContact O-N 3.47Å; R546-A549 PolarHBondContact O-N 3.05Å; R547-A549 PolarHBondContact O-N 3.05Å; A549-V552 PolarHBondContact O-N 2.79Å; A549-E553 WeakPolarHBondContact O-CB 3.32Å; A549-E553 PolarHBondContact O-N 3Å; A549-E553 VanDerWaalsContact O-N 3.09Å
550	M	61.6	Low	66.1	Low	127 Å²	127	99.4 Å²	99.4	63%	0.626	52%	0.516	S	S	*	.	H	α-helix	trans	-67.8	-40.7	175.7	-67.8	174.9	64.2	0	0	112.3	R546 R547 L548 V552 E553 Y554	R546-M550 WeakPolarHBondContact O-CG 3.24Å; R546-M550 PolarHBondContact O-N 3.44Å; R547-M550 WeakPolarHBondContact O-CB 3.49Å; R547-M550 PolarHBondContact O-N 2.84Å; R547-M550 VanDerWaalsContact O-N 3.16Å; L548-M550 VanDerWaalsContact C-N 3.32Å; M550-V552 VanDerWaalsContact C-N 3.26Å; M550-V552 PolarHBondContact O-N 3.47Å; M550-E553 PolarHBondContact O-N 3.44Å; M550-E553 VanDerWaalsContact O-N 3.17Å; M550-Y554 PolarHBondContact O-N 2.8Å
551	D	59.7	Low	64.5	Low	82 Å²	82	104.8 Å²	104.8	44%	0.439	54%	0.543	S	S	.	.	H	α-helix	trans	-65.9	-27.6	178.1	-62.4	-22.5	0	0	0	112.3	R547	R547-D551 PolarHBondContact O-N 3.43Å
552	V	59.3	Low	62.7	Low	126 Å²	126	109 Å²	109	76%	0.764	57%	0.565	S	S	*	*	H	α-helix	trans	-80.2	-31.8	173.8	171.9	0	0	0	0	111.9	L548 A549 M550	L548-V552 VanDerWaalsContact O-CG2 3.25Å; L548-V552 WeakPolarHBondContact O-CG2 3.34Å; L548-V552 PolarHBondContact O-N 3.25Å; L548-V552 VanDerWaalsContact O-N 3.13Å; A549-V552 PolarHBondContact O-N 2.79Å; M550-V552 VanDerWaalsContact C-N 3.26Å; M550-V552 PolarHBondContact O-N 3.47Å
553	E	55.5	Low	61.1	Low	154 Å²	154	113.3 Å²	113.3	72%	0.72	58%	0.582	S	S	*	*	H	α-helix	trans	-86.5	-23.1	-176.9	-148.7	162.9	-153.8	0	0	112.4	A549 M550	A549-E553 WeakPolarHBondContact O-CB 3.32Å; A549-E553 PolarHBondContact O-N 3Å; A549-E553 VanDerWaalsContact O-N 3.09Å; M550-E553 PolarHBondContact O-N 3.44Å; M550-E553 VanDerWaalsContact O-N 3.17Å
554	Y	49.3	Very low	59.9	Low	171 Å²	171	118.1 Å²	118.1	67%	0.671	60%	0.604	S	S	*	*			trans	-140	82.4	175.7	-91.7	-94.3	0	0	0	111.6	M550 D556	M550-Y554 PolarHBondContact O-N 2.8Å; Y554-D556 PolarHBondContact O-N 3.31Å
555	P	49.6	Very low	58.9	Low	106 Å²	106	126.7 Å²	126.7	69%	0.688	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	-11.7	-179.5	26.2	-32.5	0	0	0	114.7
556	D	48.6	Very low	58.1	Low	158 Å²	158	124.2 Å²	124.2	85%	0.845	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.7	61	-176	-70.2	-40.3	0	0	0	112.6	Y554	Y554-D556 PolarHBondContact O-N 3.31Å
557	S	41.5	Very low	57.2	Low	163 Å²	163	122.1 Å²	122.1	100%	1.14	65%	0.652	S	S	*	*			trans	-120.8	0	168.3	67.8	0	0	0	0	113.2

Retrieved 557 of 557 residues in 701.4 ms (Link to these results)

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