A0A077Z296_TRITR Loading...

Sema and PSI domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z296, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 797 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.1	Very low	28.5	Very low	252 Å²	252	156.8 Å²	156.8	100%	1.241	81%	0.805	S	S	*	*				0	-7.6	0	-73.7	-96.4	-120.7	0	0	112.9
2	A	21.8	Very low	29.3	Very low	98 Å²	98	154.9 Å²	154.9	81%	0.81	79%	0.79	S	S	*	*			trans	-130.6	83.5	157.1	0	0	0	0	0	106.9
3	E	23.4	Very low	30.1	Very low	189 Å²	189	149.8 Å²	149.8	88%	0.883	76%	0.761	S	S	*	*			trans	173	49.1	169.3	-105.5	179.2	-171.1	0	0	111.6
4	I	27.8	Very low	30.8	Very low	173 Å²	173	146.3 Å²	146.3	89%	0.887	74%	0.744	S	S	*	*			trans	-139.7	78.2	165.4	-51.7	177.4	0	0	0	107.7
5	S	25.5	Very low	31.5	Very low	117 Å²	117	144.3 Å²	144.3	82%	0.818	73%	0.731	S	S	*	*			trans	-139.1	81.8	171.9	61.4	0	0	0	0	108.9
6	A	24.9	Very low	32.1	Very low	74 Å²	74	142.1 Å²	142.1	61%	0.612	72%	0.721	S	S	*	*			trans	178	160.5	160.1	0	0	0	0	0	106.9
7	W	28.6	Very low	32.4	Very low	224 Å²	224	138.6 Å²	138.6	85%	0.848	70%	0.704	S	S	*	*			trans	96.4	102.7	176.3	-52.9	89.6	0	0	0	115.5
8	T	29.5	Very low	32.9	Very low	130 Å²	130	137.1 Å²	137.1	80%	0.798	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-62.3	126.4	163.2	47.9	0	0	0	0	110.5
9	W	32.6	Very low	33.4	Very low	136 Å²	136	132.4 Å²	132.4	52%	0.515	68%	0.681	S	S	.	*	P	Polyproline II helix	trans	-94.4	119.5	176.1	-70.2	63.1	0	0	0	110	Q13 L17	W9-Q13 HydrophobicContact CD2-CB 4.03Å; W9-Q13 HydrophobicContact CE3-CB 3.15Å; W9-Q13 HydrophobicContact CE3-CG 4.29Å; W9-Q13 HydrophobicContact CZ3-CB 3.49Å; W9-Q13 VanDerWaalsContact CZ3-CB 3.49Å; W9-Q13 HydrophobicContact CZ3-CG 4.49Å; W9-Q13 WeakPolarHBondContact CZ3-O 3.36Å; W9-L17 HydrophobicContact CD2-CD1 4.31Å; W9-L17 HydrophobicContact CE3-CD1 3.58Å; W9-L17 HydrophobicContact CE3-CG 4.44Å; W9-L17 HydrophobicContact CH2-CD1 3.46Å; W9-L17 VanDerWaalsContact CH2-CD1 3.46Å; W9-L17 HydrophobicContact CH2-CG 3.89Å; W9-L17 HydrophobicContact CZ2-CD1 4.12Å; W9-L17 HydrophobicContact CZ3-CD1 3.13Å; W9-L17 HydrophobicContact CZ3-CG 3.6Å
10	D	34	Very low	33.6	Very low	123 Å²	123	130.9 Å²	130.9	66%	0.658	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-74.3	153.9	165.8	-168.4	2	0	0	0	109.5	H12 Q13	D10-H12 PolarHBondContact O-N 3.15Å; D10-Q13 PolarHBondContact O-N 3.44Å
11	R	36.5	Very low	34	Very low	209 Å²	209	128.2 Å²	128.2	79%	0.789	66%	0.664	S	S	*	*	H	α-helix	trans	-50.3	-26.4	-173.8	-172	175	-179.8	178.1	0.1	113.6
12	H	37.9	Very low	34.4	Very low	134 Å²	134	125.3 Å²	125.3	62%	0.62	64%	0.64	S	S	*	*	H	α-helix	trans	-78	-26.4	179.2	-140.4	3	0	0	0	114	D10 E15	D10-H12 PolarHBondContact O-N 3.15Å; H12-E15 IonicContact CE1-OE2 3.45Å; H12-E15 IonicContact ND1-OE2 2.69Å; H12-E15 PolarHBondContact ND1-OE2 3.14Å; H12-E15 PolarHBondContact O-N 3.14Å
13	Q	39.2	Very low	35	Very low	89 Å²	89	127.8 Å²	127.8	42%	0.416	63%	0.633	S	S	.	*	H	α-helix	trans	-79.5	-26.2	177.8	-65.1	-154	-23.7	0	0	112.6	W9 D10 E15 L16 L17	W9-Q13 HydrophobicContact CD2-CB 4.03Å; W9-Q13 HydrophobicContact CE3-CB 3.15Å; W9-Q13 HydrophobicContact CE3-CG 4.29Å; W9-Q13 HydrophobicContact CZ3-CB 3.49Å; W9-Q13 VanDerWaalsContact CZ3-CB 3.49Å; W9-Q13 HydrophobicContact CZ3-CG 4.49Å; W9-Q13 WeakPolarHBondContact CZ3-O 3.36Å; D10-Q13 PolarHBondContact O-N 3.44Å; Q13-E15 VanDerWaalsContact C-N 3.3Å; Q13-E15 PolarHBondContact O-N 3.31Å; Q13-L16 PolarHBondContact O-N 3.22Å; Q13-L17 PolarHBondContact O-N 2.76Å; Q13-L17 VanDerWaalsContact O-N 3.15Å
14	L	40.8	Very low	35.6	Very low	100 Å²	100	122.4 Å²	122.4	52%	0.524	62%	0.616	S	S	.	*	H	α-helix	trans	-65.1	-32.4	169.9	-99.6	152.2	0	0	0	112.3	L18	L14-L18 WeakPolarHBondContact O-CG 3.28Å; L14-L18 PolarHBondContact O-N 3.22Å
15	E	40.9	Very low	35.9	Very low	117 Å²	117	122.2 Å²	122.2	55%	0.547	61%	0.609	S	S	.	*	H	α-helix	trans	-70.2	-30.3	173.9	-70.7	-174.2	158	0	0	112.7	H12 Q13 A19	H12-E15 IonicContact CE1-OE2 3.45Å; H12-E15 IonicContact ND1-OE2 2.69Å; H12-E15 PolarHBondContact ND1-OE2 3.14Å; H12-E15 PolarHBondContact O-N 3.14Å; Q13-E15 VanDerWaalsContact C-N 3.3Å; Q13-E15 PolarHBondContact O-N 3.31Å; E15-A19 PolarHBondContact O-N 3.24Å
16	L	40.8	Very low	36.3	Very low	108 Å²	108	120.1 Å²	120.1	57%	0.565	59%	0.594	S	S	*	*	H	α-helix	trans	-75.6	-37.2	176.1	-77.1	161.5	0	0	0	112.7	Q13 L18 A19 D20	Q13-L16 PolarHBondContact O-N 3.22Å; L16-L18 VanDerWaalsContact C-N 3.29Å; L16-L18 PolarHBondContact O-N 2.89Å; L16-A19 WeakPolarHBondContact O-CB 3.32Å; L16-A19 PolarHBondContact O-N 3.03Å; L16-A19 VanDerWaalsContact O-N 3.1Å; L16-D20 PolarHBondContact O-N 3.5Å
17	L	37.7	Very low	36.9	Very low	83 Å²	83	121.1 Å²	121.1	44%	0.435	59%	0.593	S	S	.	*	H	α-helix	trans	-64.6	-33	173.2	-91.3	166.2	0	0	0	112.7	W9 Q13 A19 T21	W9-L17 HydrophobicContact CD2-CD1 4.31Å; W9-L17 HydrophobicContact CE3-CD1 3.58Å; W9-L17 HydrophobicContact CE3-CG 4.44Å; W9-L17 HydrophobicContact CH2-CD1 3.46Å; W9-L17 VanDerWaalsContact CH2-CD1 3.46Å; W9-L17 HydrophobicContact CH2-CG 3.89Å; W9-L17 HydrophobicContact CZ2-CD1 4.12Å; W9-L17 HydrophobicContact CZ3-CD1 3.13Å; W9-L17 HydrophobicContact CZ3-CG 3.6Å; Q13-L17 PolarHBondContact O-N 2.76Å; Q13-L17 VanDerWaalsContact O-N 3.15Å; L17-A19 VanDerWaalsContact C-N 3.33Å; L17-T21 WeakPolarHBondContact O-CG2 3.26Å; L17-T21 PolarHBondContact O-N 2.97Å; L17-T21 VanDerWaalsContact O-N 3.13Å; L17-T21 PolarHBondContact O-OG1 3.06Å
18	L	41	Very low	37.1	Very low	112 Å²	112	117.2 Å²	117.2	59%	0.586	59%	0.588	S	S	*	*	H	α-helix	trans	-72.6	-26.9	173	-71.7	169.8	0	0	0	112.4	L14 L16 T21 W22	L14-L18 WeakPolarHBondContact O-CG 3.28Å; L14-L18 PolarHBondContact O-N 3.22Å; L16-L18 VanDerWaalsContact C-N 3.29Å; L16-L18 PolarHBondContact O-N 2.89Å; L18-T21 WeakPolarHBondContact CA-OG1 3.34Å; L18-T21 PolarHBondContact O-OG1 3.33Å; L18-W22 PolarHBondContact O-N 2.98Å
19	A	42.3	Very low	37.3	Very low	47 Å²	47	117.9 Å²	117.9	39%	0.388	59%	0.586	S	S	.	*	H	α-helix	trans	-75.8	-37.4	172.4	0	0	0	0	0	112.7	E15 L16 L17 W22 F23	E15-A19 PolarHBondContact O-N 3.24Å; L16-A19 WeakPolarHBondContact O-CB 3.32Å; L16-A19 PolarHBondContact O-N 3.03Å; L16-A19 VanDerWaalsContact O-N 3.1Å; L17-A19 VanDerWaalsContact C-N 3.33Å; A19-W22 VanDerWaalsContact O-CB 3.3Å; A19-W22 WeakPolarHBondContact O-CB 3.39Å; A19-W22 PolarHBondContact O-N 3.19Å; A19-F23 PolarHBondContact O-N 3.49Å; A19-F23 VanDerWaalsContact O-N 3.13Å
20	D	37.8	Very low	37.4	Very low	102 Å²	102	119.2 Å²	119.2	55%	0.545	60%	0.598	S	S	.	*	H	α-helix	trans	-76	-28.7	179.8	-77.2	-21.7	0	0	0	113.2	L16 W22 F23 S24	L16-D20 PolarHBondContact O-N 3.5Å; D20-W22 VanDerWaalsContact C-N 3.33Å; D20-F23 PolarHBondContact O-N 3.32Å; D20-S24 PolarHBondContact O-N 2.68Å; D20-S24 PolarHBondContact O-OG 2.95Å; D20-S24 VanDerWaalsContact O-OG 3.09Å
21	T	42.6	Very low	37.3	Very low	76 Å²	76	120.5 Å²	120.5	47%	0.466	61%	0.605	S	S	.	*	H	α-helix	trans	-71.4	-29.4	169.7	46.5	0	0	0	0	112.1	L17 L18 F25	L17-T21 WeakPolarHBondContact O-CG2 3.26Å; L17-T21 PolarHBondContact O-N 2.97Å; L17-T21 VanDerWaalsContact O-N 3.13Å; L17-T21 PolarHBondContact O-OG1 3.06Å; L18-T21 WeakPolarHBondContact CA-OG1 3.34Å; L18-T21 PolarHBondContact O-OG1 3.33Å; T21-F25 PolarHBondContact O-N 3.47Å
22	W	37	Very low	36.9	Very low	190 Å²	190	119 Å²	119	72%	0.72	61%	0.611	S	S	*	*	H	α-helix	trans	-66.8	-37.9	168.8	-112.3	74.9	0	0	0	112.8	L18 A19 D20 S26 L63	L18-W22 PolarHBondContact O-N 2.98Å; A19-W22 VanDerWaalsContact O-CB 3.3Å; A19-W22 WeakPolarHBondContact O-CB 3.39Å; A19-W22 PolarHBondContact O-N 3.19Å; D20-W22 VanDerWaalsContact C-N 3.33Å; W22-S26 PolarHBondContact O-N 2.04Å; W22-L63 HydrophobicContact CZ2-CD1 4.1Å
23	F	33.8	Very low	36.6	Very low	151 Å²	151	116.3 Å²	116.3	66%	0.662	62%	0.62	S	S	*	*	H	α-helix	trans	-72.6	-33.6	176.9	-116.2	-87.9	0	0	0	113	A19 D20 S26 V27	A19-F23 PolarHBondContact O-N 3.49Å; A19-F23 VanDerWaalsContact O-N 3.13Å; D20-F23 PolarHBondContact O-N 3.32Å; F23-S26 PolarHBondContact O-OG 3.46Å; F23-V27 WeakPolarHBondContact O-CG2 3.47Å
24	S	35.4	Very low	36.1	Very low	76 Å²	76	121.9 Å²	121.9	53%	0.531	65%	0.646	S	S	.	*	H	α-helix	trans	-76.6	-27.9	179.2	-60.5	0	0	0	0	113.5	D20 L28	D20-S24 PolarHBondContact O-N 2.68Å; D20-S24 PolarHBondContact O-OG 2.95Å; D20-S24 VanDerWaalsContact O-OG 3.09Å; S24-L28 PolarHBondContact O-N 2.81Å
25	F	35.6	Very low	35.6	Very low	168 Å²	168	122.1 Å²	122.1	74%	0.737	66%	0.656	S	S	*	*	H	α-helix	trans	-77.9	-22.8	174.7	-115.9	-93.6	0	0	0	113.6	T21	T21-F25 PolarHBondContact O-N 3.47Å
26	S	34.3	Very low	35.1	Very low	73 Å²	73	126.1 Å²	126.1	51%	0.51	68%	0.675	S	S	.	*	H	α-helix	trans	-80.4	-21.9	174.5	86.1	0	0	0	0	113.3	W22 F23	W22-S26 PolarHBondContact O-N 2.04Å; F23-S26 PolarHBondContact O-OG 3.46Å
27	V	36.7	Very low	34.6	Very low	96 Å²	96	124.8 Å²	124.8	58%	0.582	69%	0.687	S	S	*	*	H	α-helix	trans	-88.7	-25.7	179.5	176.1	0	0	0	0	112.7	F23	F23-V27 WeakPolarHBondContact O-CG2 3.47Å
28	L	33.3	Very low	34.1	Very low	142 Å²	142	128.5 Å²	128.5	74%	0.743	71%	0.707	S	S	*	*	H	α-helix	trans	-81.8	-16.2	177.7	-113.4	92.7	0	0	0	114.9	S24 H30	S24-L28 PolarHBondContact O-N 2.81Å; L28-H30 VanDerWaalsContact C-N 3.32Å
29	N	34.1	Very low	33.5	Very low	143 Å²	143	128.7 Å²	128.7	77%	0.765	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	9.3	177.6	-102.9	-10.8	0	0	0	114.2
30	H	34	Very low	32.9	Very low	165 Å²	165	131.4 Å²	131.4	76%	0.764	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.3	9.2	-178.8	-131.4	-64.9	0	0	0	114.9	L28	L28-H30 VanDerWaalsContact C-N 3.32Å
31	N	31	Very low	32.6	Very low	150 Å²	150	134 Å²	134	80%	0.802	75%	0.747	S	S	*	*	S	Bend	trans	-131	25.8	-175.5	-92.4	-27.6	0	0	0	115.8
32	L	29.2	Very low	32	Very low	176 Å²	176	134.9 Å²	134.9	92%	0.921	76%	0.756	S	S	*	*	S	Bend	trans	-137.9	90.4	171.3	-80.7	163.1	0	0	0	109.6
33	G	30.5	Very low	31.7	Very low	79 Å²	79	137.4 Å²	137.4	81%	0.814	77%	0.765	S	S	*	*			trans	164.4	43.7	176.2	0	0	0	0	0	115.9
34	Q	28.4	Very low	31.4	Very low	206 Å²	206	139.6 Å²	139.6	96%	0.963	78%	0.778	S	S	*	*			trans	-96.5	99.3	160.2	-80.9	-170.5	-1.8	0	0	109.2
35	S	31.8	Very low	31.1	Very low	105 Å²	105	141 Å²	141	73%	0.734	79%	0.794	S	S	*	*			trans	-144	109	153.2	72.9	0	0	0	0	110
36	H	29.6	Very low	30.7	Very low	201 Å²	201	141.6 Å²	141.6	93%	0.931	80%	0.801	S	S	*	*			trans	38.4	119.3	150.7	-73.5	-85.3	0	0	0	120.9
37	G	30.2	Very low	30.3	Very low	80 Å²	80	143.8 Å²	143.8	83%	0.825	82%	0.815	S	S	*	*			trans	168.8	106.1	156.6	0	0	0	0	0	114.3
38	N	26.7	Very low	29.8	Very low	161 Å²	161	146.8 Å²	146.8	86%	0.861	83%	0.827	S	S	*	*			trans	-57.1	143.9	-176	-66	-31.7	0	0	0	116.1
39	C	28.6	Very low	29.7	Very low	116 Å²	116	144.8 Å²	144.8	78%	0.784	82%	0.823	S	S	*	*				157.2	110.8	108.2	-96.4	0	0	0	0	114
40	S	30.7	Very low	29.3	Very low	103 Å²	103	144.8 Å²	144.8	72%	0.72	83%	0.829	S	S	*	*			trans	37.1	117.5	136.3	58	0	0	0	0	122.9
41	D	31.1	Very low	29.2	Very low	158 Å²	158	142.3 Å²	142.3	85%	0.845	83%	0.83	S	S	*	*				37.7	136.2	123.7	-79.2	-25.9	0	0	0	120
42	S	29.4	Very low	29	Very low	94 Å²	94	147.4 Å²	147.4	66%	0.657	84%	0.838	S	S	*	*			cis	178.4	163.1	17.1	45.4	0	0	0	0	111.8
43	R	31.3	Very low	29	Very low	243 Å²	243	144.3 Å²	144.3	92%	0.917	83%	0.831	S	S	*	*			trans	94.7	127.9	153.7	-66.2	-174.9	-173	-165.7	2.2	122.1
44	Q	26.9	Very low	28.9	Very low	197 Å²	197	150.3 Å²	150.3	92%	0.921	84%	0.837	S	S	*	*			trans	-78.4	150.1	178.8	-64.1	154.3	-44.9	0	0	113
45	A	30.4	Very low	28.8	Very low	105 Å²	105	143.9 Å²	143.9	87%	0.868	83%	0.826	S	S	*	*			trans	-163.4	147.3	134.7	0	0	0	0	0	111.4
46	M	27.4	Very low	28.4	Very low	180 Å²	180	145 Å²	145	89%	0.887	83%	0.833	S	S	*	*			trans	-79.6	149.8	-162.4	-71.5	159.2	74.4	0	0	116.5
47	C	24.9	Very low	28.2	Very low	119 Å²	119	143.4 Å²	143.4	80%	0.804	83%	0.83	S	S	*	*			trans	45.1	120.7	140.4	-57.4	0	0	0	0	121.9
48	D	26.7	Very low	28	Very low	159 Å²	159	147.7 Å²	147.7	85%	0.85	83%	0.828	S	S	*	*			trans	-151.2	135.2	133.3	-148.1	7.1	0	0	0	110.4
49	P	31	Very low	28.1	Very low	101 Å²	101	149.8 Å²	149.8	66%	0.656	83%	0.833	S	S	*	*			trans	-99.8	117.2	-176.1	33	-20.1	0	0	0	110.5
50	T	26.4	Very low	28	Very low	143 Å²	143	148.2 Å²	148.2	88%	0.877	83%	0.828	S	S	*	*			trans	168.5	96.8	147.9	32.9	0	0	0	0	110.4
51	S	30	Very low	27.8	Very low	113 Å²	113	151.9 Å²	151.9	79%	0.79	83%	0.831	S	S	*	*			trans	-161.7	129.3	142.1	58.4	0	0	0	0	110.7	S53	S51-S53 PolarHBondContact O-N 3.44Å
52	R	28	Very low	27.9	Very low	257 Å²	257	149.9 Å²	149.9	97%	0.97	83%	0.825	S	S	*	*			trans	-53.4	117.4	163.9	-79.1	169.7	164.2	167.8	-5.8	108.9
53	S	29.4	Very low	27.9	Very low	110 Å²	110	150.4 Å²	150.4	77%	0.769	82%	0.82	S	S	*	*			trans	-146.8	128.7	146	59.3	0	0	0	0	109.5	S51	S51-S53 PolarHBondContact O-N 3.44Å
54	Q	27.5	Very low	28	Very low	205 Å²	205	143.5 Å²	143.5	96%	0.958	80%	0.804	S	S	*	*			trans	-62.4	132.6	173.8	-66.9	162.4	-59	0	0	108.9
55	G	26.6	Very low	28.3	Very low	71 Å²	71	137.9 Å²	137.9	73%	0.732	79%	0.785	S	S	*	*			trans	145.3	76.5	165.2	0	0	0	0	0	113.8
56	C	23.4	Very low	28.6	Very low	130 Å²	130	137 Å²	137	88%	0.878	77%	0.765	S	S	*	*			trans	175.7	69.7	146.9	-94.2	0	0	0	0	110.2
57	I	25.3	Very low	29	Very low	166 Å²	166	131.4 Å²	131.4	85%	0.851	75%	0.747	S	S	*	*			trans	-142.1	84.5	157.3	-56.3	179.9	0	0	0	106.5
58	Q	26.7	Very low	29.5	Very low	171 Å²	171	131.6 Å²	131.6	80%	0.799	74%	0.736	S	S	*	*			trans	-171.5	65.1	160.7	-112.7	166.6	-9.5	0	0	112.2
59	Q	28.5	Very low	30.1	Very low	205 Å²	205	130.3 Å²	130.3	96%	0.958	73%	0.725	S	S	*	*			trans	-141.5	65	153	-78.7	-170	-16.5	0	0	108.5
60	A	27.4	Very low	30.6	Very low	82 Å²	82	130.8 Å²	130.8	68%	0.678	72%	0.721	S	S	*	*			trans	-129.6	29.2	172.1	0	0	0	0	0	111.4
61	F	26.2	Very low	31.4	Very low	180 Å²	180	126.5 Å²	126.5	79%	0.789	70%	0.697	S	S	*	*			trans	-121	91.5	178.5	-89.8	-86.1	0	0	0	109.1
62	T	32.8	Very low	31.9	Very low	117 Å²	117	125.4 Å²	125.4	72%	0.718	68%	0.682	S	S	*	*	S	Bend	trans	-175.5	-7.1	154.8	37.7	0	0	0	0	114.3
63	L	28.9	Very low	32.7	Very low	104 Å²	104	118.6 Å²	118.6	55%	0.545	67%	0.665	S	S	.	*	S	Bend	trans	-104.8	-17.2	-178.3	-70.6	170.4	0	0	0	115.6	W22 I66 A67	W22-L63 HydrophobicContact CZ2-CD1 4.1Å; L63-I66 PolarHBondContact O-N 3.19Å; L63-A67 PolarHBondContact O-N 2.58Å
64	V	34.2	Very low	33.5	Very low	98 Å²	98	116.7 Å²	116.7	59%	0.594	66%	0.655	S	S	*	*	H	α-helix	trans	-62.6	-43.1	178.9	-177.7	0	0	0	0	113	I66 A67 E68	V64-I66 VanDerWaalsContact C-N 3.3Å; V64-I66 PolarHBondContact O-N 2.95Å; V64-A67 PolarHBondContact O-N 3.07Å; V64-E68 WeakPolarHBondContact O-CB 3.45Å; V64-E68 PolarHBondContact O-N 3.38Å; V64-E68 VanDerWaalsContact O-N 3.08Å
65	P	33.1	Very low	34.2	Very low	79 Å²	79	113.5 Å²	113.5	51%	0.513	64%	0.638	S	S	.	*	H	α-helix	trans	-63.9	-37.2	-178.8	-17.7	29.7	0	0	0	112.3	E68 E69	P65-E68 PolarHBondContact O-N 3.47Å; P65-E69 WeakPolarHBondContact O-CB 3.11Å; P65-E69 WeakPolarHBondContact O-CG 3.07Å; P65-E69 PolarHBondContact O-N 3.05Å
66	I	36.4	Very low	35.5	Very low	87 Å²	87	111.4 Å²	111.4	45%	0.446	61%	0.612	S	S	.	*	H	α-helix	trans	-72.9	-41	-176.2	-59.2	170.6	0	0	0	110.6	L63 V64 E68 E69 I70	L63-I66 PolarHBondContact O-N 3.19Å; V64-I66 VanDerWaalsContact C-N 3.3Å; V64-I66 PolarHBondContact O-N 2.95Å; I66-E68 VanDerWaalsContact C-N 3.33Å; I66-E69 PolarHBondContact O-N 2.78Å; I66-I70 HydrophobicContact CG2-CD1 3.77Å; I66-I70 HydrophobicContact CG2-CG1 4.4Å; I66-I70 WeakPolarHBondContact O-CB 3.31Å; I66-I70 WeakPolarHBondContact O-CG1 3.41Å; I66-I70 PolarHBondContact O-N 3.46Å
67	A	34.9	Very low	37.1	Very low	62 Å²	62	107 Å²	107	51%	0.512	58%	0.582	S	S	.	*	H	α-helix	trans	-66.5	-37	176	0	0	0	0	0	111.9	L63 V64 S71	L63-A67 PolarHBondContact O-N 2.58Å; V64-A67 PolarHBondContact O-N 3.07Å; A67-S71 VanDerWaalsContact O-CB 3.29Å; A67-S71 WeakPolarHBondContact O-CB 3.08Å; A67-S71 PolarHBondContact O-N 3.46Å
68	E	36.8	Very low	38.6	Very low	123 Å²	123	100.7 Å²	100.7	58%	0.575	55%	0.548	S	S	*	.	H	α-helix	trans	-71.4	-39.7	176.8	-151.6	166.4	-154.9	0	0	111.4	V64 P65 I66 S71 N72	V64-E68 WeakPolarHBondContact O-CB 3.45Å; V64-E68 PolarHBondContact O-N 3.38Å; V64-E68 VanDerWaalsContact O-N 3.08Å; P65-E68 PolarHBondContact O-N 3.47Å; I66-E68 VanDerWaalsContact C-N 3.33Å; E68-S71 PolarHBondContact O-N 3.14Å; E68-N72 VanDerWaalsContact O-CB 3.29Å; E68-N72 WeakPolarHBondContact O-CB 3.19Å; E68-N72 PolarHBondContact O-N 2.79Å; E68-N72 PolarHBondContact O-ND2 2.88Å; E68-N72 VanDerWaalsContact O-ND2 3.11Å
69	E	37.5	Very low	39.8	Very low	132 Å²	132	95.1 Å²	95.1	62%	0.617	53%	0.526	S	S	*	.	H	α-helix	trans	-62.8	-46	171.4	-87.1	-177.9	156.8	0	0	112.6	P65 I66 N72 L73	P65-E69 WeakPolarHBondContact O-CB 3.11Å; P65-E69 WeakPolarHBondContact O-CG 3.07Å; P65-E69 PolarHBondContact O-N 3.05Å; I66-E69 PolarHBondContact O-N 2.78Å; E69-N72 PolarHBondContact O-N 3Å; E69-L73 WeakPolarHBondContact O-CB 3.34Å; E69-L73 PolarHBondContact O-N 2.69Å
70	I	43.2	Very low	40.7	Very low	111 Å²	111	87.1 Å²	87.1	57%	0.569	49%	0.489	S	S	*	.	H	α-helix	trans	-65.2	-41	177.9	-68.1	167.8	0	0	0	110.8	I66 L73 A74	I66-I70 HydrophobicContact CG2-CD1 3.77Å; I66-I70 HydrophobicContact CG2-CG1 4.4Å; I66-I70 WeakPolarHBondContact O-CB 3.31Å; I66-I70 WeakPolarHBondContact O-CG1 3.41Å; I66-I70 PolarHBondContact O-N 3.46Å; I70-L73 PolarHBondContact O-N 3.07Å; I70-A74 WeakPolarHBondContact O-CB 3.46Å; I70-A74 PolarHBondContact O-N 3.42Å
71	S	41.8	Very low	41.3	Very low	53 Å²	53	90.9 Å²	90.9	37%	0.371	50%	0.497	S	S	.	.	H	α-helix	trans	-64.6	-40.4	175.9	-172.4	0	0	0	0	112	A67 E68 A74 K75	A67-S71 VanDerWaalsContact O-CB 3.29Å; A67-S71 WeakPolarHBondContact O-CB 3.08Å; A67-S71 PolarHBondContact O-N 3.46Å; E68-S71 PolarHBondContact O-N 3.14Å; S71-A74 PolarHBondContact O-N 3.33Å; S71-K75 WeakPolarHBondContact O-CG 3.06Å; S71-K75 PolarHBondContact O-N 2.97Å
72	N	41.2	Very low	41.7	Very low	91 Å²	91	89 Å²	89	49%	0.487	49%	0.491	S	S	.	.	H	α-helix	trans	-68.3	-38.1	175.7	-71.9	-25.5	0	0	0	111.6	E68 E69 K75 S76	E68-N72 VanDerWaalsContact O-CB 3.29Å; E68-N72 WeakPolarHBondContact O-CB 3.19Å; E68-N72 PolarHBondContact O-N 2.79Å; E68-N72 PolarHBondContact O-ND2 2.88Å; E68-N72 VanDerWaalsContact O-ND2 3.11Å; E69-N72 PolarHBondContact O-N 3Å; N72-K75 PolarHBondContact O-N 3.49Å; N72-S76 WeakPolarHBondContact O-CB 3.38Å; N72-S76 PolarHBondContact O-N 3.26Å; N72-S76 VanDerWaalsContact O-N 3.09Å; N72-S76 PolarHBondContact O-OG 2.94Å
73	L	45.6	Very low	41.7	Very low	114 Å²	114	88.8 Å²	88.8	60%	0.597	49%	0.49	S	S	*	.	H	α-helix	trans	-61.3	-46	172.6	-127.4	96.9	0	0	0	110.9	E69 I70 K75 S76 V77	E69-L73 WeakPolarHBondContact O-CB 3.34Å; E69-L73 PolarHBondContact O-N 2.69Å; I70-L73 PolarHBondContact O-N 3.07Å; L73-K75 VanDerWaalsContact C-N 3.33Å; L73-K75 PolarHBondContact O-N 3.07Å; L73-S76 WeakPolarHBondContact CA-OG 3.46Å; L73-S76 PolarHBondContact O-N 2.96Å; L73-S76 PolarHBondContact O-OG 3.48Å; L73-V77 WeakPolarHBondContact O-CG2 3.42Å; L73-V77 PolarHBondContact O-N 3.27Å
74	A	44.5	Very low	42	Very low	70 Å²	70	92.1 Å²	92.1	58%	0.579	50%	0.502	S	S	*	.	H	α-helix	trans	-63.6	-35.7	179	0	0	0	0	0	112.9	I70 S71 S76	I70-A74 WeakPolarHBondContact O-CB 3.46Å; I70-A74 PolarHBondContact O-N 3.42Å; S71-A74 PolarHBondContact O-N 3.33Å; A74-S76 VanDerWaalsContact C-N 3.26Å; A74-S76 PolarHBondContact O-N 2.9Å
75	K	42.7	Very low	42.2	Very low	137 Å²	137	87.6 Å²	87.6	60%	0.596	48%	0.475	S	S	*	.	H	α-helix	trans	-72.1	-20	173.3	-71.4	173.4	-175.5	170.7	0	113.4	S71 N72 L73	S71-K75 WeakPolarHBondContact O-CG 3.06Å; S71-K75 PolarHBondContact O-N 2.97Å; N72-K75 PolarHBondContact O-N 3.49Å; L73-K75 VanDerWaalsContact C-N 3.33Å; L73-K75 PolarHBondContact O-N 3.07Å
76	S	55.1	Low	42.7	Very low	27 Å²	27	89.2 Å²	89.2	19%	0.189	47%	0.471	C	S	.	.	H	α-helix	trans	-92	-8.8	-175.9	74.5	0	0	0	0	114.1	N72 L73 A74 R569 L570	N72-S76 WeakPolarHBondContact O-CB 3.38Å; N72-S76 PolarHBondContact O-N 3.26Å; N72-S76 VanDerWaalsContact O-N 3.09Å; N72-S76 PolarHBondContact O-OG 2.94Å; L73-S76 WeakPolarHBondContact CA-OG 3.46Å; L73-S76 PolarHBondContact O-N 2.96Å; L73-S76 PolarHBondContact O-OG 3.48Å; A74-S76 VanDerWaalsContact C-N 3.26Å; A74-S76 PolarHBondContact O-N 2.9Å; S76-R569 WeakPolarHBondContact O-CA 3.03Å; S76-L570 WeakPolarHBondContact CB-O 3.34Å; S76-L570 PolarHBondContact O-N 2.98Å
77	V	55.5	Low	43.1	Very low	39 Å²	39	85.1 Å²	85.1	24%	0.236	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	117.2	-175.3	180	0	0	0	0	109.5	L73 T79 R569	L73-V77 WeakPolarHBondContact O-CG2 3.42Å; L73-V77 PolarHBondContact O-N 3.27Å; V77-T79 WeakPolarHBondContact CG1-OG1 3.49Å; V77-R569 HydrophobicContact CG1-CG 4.31Å; V77-R569 HydrophobicContact CG2-CG 4.08Å
78	F	56.9	Low	43.8	Very low	33 Å²	33	83.7 Å²	83.7	15%	0.145	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	96.5	167.9	-173.9	-98.8	0	0	0	108.4	L80 I115 F120 V122 I568	F78-L80 HydrophobicContact CD1-CD1 4.47Å; F78-L80 HydrophobicContact CE1-CD1 3.51Å; F78-L80 HydrophobicContact CE1-CD2 4.41Å; F78-L80 HydrophobicContact CE1-CG 3.7Å; F78-L80 HydrophobicContact CZ-CD1 4.02Å; F78-L80 HydrophobicContact CZ-CD2 4.17Å; F78-L80 HydrophobicContact CZ-CG 3.95Å; F78-I115 HydrophobicContact CD1-CD1 4.31Å; F78-I115 HydrophobicContact CE1-CD1 3.89Å; F78-I115 HydrophobicContact CE2-CD1 4.48Å; F78-I115 HydrophobicContact CZ-CD1 4Å; F78-F120 HydrophobicContact CB-CB 4.19Å; F78-F120 HydrophobicContact CB-CD2 3.66Å; F78-F120 HydrophobicContact CB-CE2 3.97Å; F78-F120 HydrophobicContact CB-CG 3.93Å; F78-F120 HydrophobicContact CD2-CB 4.22Å; F78-V122 HydrophobicContact CE2-CG2 3.99Å; F78-V122 HydrophobicContact CZ-CG2 4.13Å; F78-I568 PolarHBondContact N-O 3.42Å; F78-I568 PolarHBondContact O-N 2.89Å
79	T	52.4	Low	44.7	Very low	53 Å²	53	78.5 Å²	78.5	33%	0.325	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	118.7	173.1	-55.7	0	0	0	0	108.5	V77 L81 E567	V77-T79 WeakPolarHBondContact CG1-OG1 3.49Å; T79-L81 HydrophobicContact CG2-CD2 4.38Å; T79-L81 HydrophobicContact CG2-CG 4.38Å; T79-L81 PolarHBondContact O-N 3.49Å; T79-E567 HydrophobicContact CG2-CG 4.15Å
80	L	47.5	Very low	45.5	Very low	37 Å²	37	73.4 Å²	73.4	19%	0.194	39%	0.386	C	S	.	.			trans	-82.9	106.6	166.9	-78.4	153.1	0	0	0	107.8	F78 E82 V105 F108 Y113	F78-L80 HydrophobicContact CD1-CD1 4.47Å; F78-L80 HydrophobicContact CE1-CD1 3.51Å; F78-L80 HydrophobicContact CE1-CD2 4.41Å; F78-L80 HydrophobicContact CE1-CG 3.7Å; F78-L80 HydrophobicContact CZ-CD1 4.02Å; F78-L80 HydrophobicContact CZ-CD2 4.17Å; F78-L80 HydrophobicContact CZ-CG 3.95Å; L80-E82 PolarHBondContact O-N 2.92Å; L80-V105 HydrophobicContact CD1-CB 3.92Å; L80-V105 HydrophobicContact CD1-CG1 3.94Å; L80-V105 HydrophobicContact CD1-CG2 3.39Å; L80-F108 HydrophobicContact CB-CE2 3.7Å; L80-F108 HydrophobicContact CB-CZ 4.35Å; L80-F108 HydrophobicContact CD1-CD2 3.86Å; L80-F108 HydrophobicContact CD1-CE2 3.56Å; L80-F108 HydrophobicContact CD1-CZ 4.39Å; L80-F108 HydrophobicContact CD2-CE2 3.85Å; L80-F108 HydrophobicContact CD2-CZ 3.89Å; L80-F108 HydrophobicContact CG-CE2 3.89Å; L80-F108 HydrophobicContact CG-CZ 4.44Å; L80-Y113 HydrophobicContact CD1-CE2 4.28Å
81	L	39.9	Very low	45.7	Very low	162 Å²	162	70.5 Å²	70.5	85%	0.848	37%	0.372	S	S	*	.			trans	-72.5	17.3	-168	-84.7	163.5	0	0	0	116.1	T79	T79-L81 HydrophobicContact CG2-CD2 4.38Å; T79-L81 HydrophobicContact CG2-CG 4.38Å; T79-L81 PolarHBondContact O-N 3.49Å
82	E	35.9	Very low	45.8	Very low	141 Å²	141	68.7 Å²	68.7	66%	0.659	36%	0.359	S	S	*	.	S	Bend	trans	-126.4	107.6	178.6	-70.4	-176.9	166.6	0	0	109.4	L80 N85	L80-E82 PolarHBondContact O-N 2.92Å; E82-N85 PolarHBondContact O-ND2 3.19Å; E82-N85 PolarHBondContact O-OD1 3.48Å
83	T	31.7	Very low	45.5	Very low	112 Å²	112	65.5 Å²	65.5	69%	0.687	34%	0.344	S	S	*	.	S	Bend	trans	79.9	163.4	169.2	65.5	0	0	0	0	118.5	N85	T83-N85 VanDerWaalsContact C-N 3.32Å; T83-N85 WeakPolarHBondContact CA-OD1 3.32Å; T83-N85 VanDerWaalsContact CB-OD1 3.27Å; T83-N85 WeakPolarHBondContact CB-OD1 3.31Å; T83-N85 PolarHBondContact O-N 3.05Å; T83-N85 PolarHBondContact O-OD1 3.27Å; T83-N85 PolarHBondContact OG1-OD1 2.92Å
84	E	34.7	Very low	45	Very low	174 Å²	174	67.2 Å²	67.2	81%	0.813	35%	0.349	S	S	*	.	S	Bend	trans	-74.7	73.4	-174	-68.3	-175.3	155.6	0	0	112.7	N566	E84-N566 VanDerWaalsContact C-ND2 3.26Å; E84-N566 WeakPolarHBondContact CA-ND2 3.33Å
85	N	38.9	Very low	44.5	Very low	2 Å²	2	65.9 Å²	65.9	1%	0.011	34%	0.342	C	S	.	.			trans	-93.9	146.1	-156.8	-61.4	-4.1	0	0	0	116.6	E82 T83 V105 D107 N565 N566	E82-N85 PolarHBondContact O-ND2 3.19Å; E82-N85 PolarHBondContact O-OD1 3.48Å; T83-N85 VanDerWaalsContact C-N 3.32Å; T83-N85 WeakPolarHBondContact CA-OD1 3.32Å; T83-N85 VanDerWaalsContact CB-OD1 3.27Å; T83-N85 WeakPolarHBondContact CB-OD1 3.31Å; T83-N85 PolarHBondContact O-N 3.05Å; T83-N85 PolarHBondContact O-OD1 3.27Å; T83-N85 PolarHBondContact OG1-OD1 2.92Å; N85-V105 HydrophobicContact CB-CG1 3.93Å; N85-D107 VanDerWaalsContact CA-OD1 3.29Å; N85-D107 WeakPolarHBondContact CA-OD1 3.29Å; N85-D107 WeakPolarHBondContact CA-OD2 3.39Å; N85-D107 HydrophobicContact CB-CB 3.44Å; N85-D107 VanDerWaalsContact CB-CB 3.44Å; N85-D107 VanDerWaalsContact CG-CG 3.45Å; N85-D107 WeakPolarHBondContact ND2-CB 3.3Å; N85-D107 WeakPolarHBondContact OD1-CB 3.35Å; N85-D107 PolarHBondContact OD1-OD2 2.62Å; N85-N565 CarbonylContact C-O 3.57Å; N85-N565 CarbonylContact O-C 3.58Å; N85-N566 PolarHBondContact N-ND2 3.28Å; N85-N566 WeakPolarHBondContact O-CA 3.02Å; N85-N566 WeakPolarHBondContact O-CB 3.31Å; N85-N566 PolarHBondContact O-N 3.29Å; N85-N566 VanDerWaalsContact O-N 3.08Å; N85-N566 PolarHBondContact O-OD1 3.03Å
86	R	43.8	Very low	44.4	Very low	114 Å²	114	66.8 Å²	66.8	43%	0.43	35%	0.346	S	S	.	.			trans	-86.2	170.1	166.6	-44.5	-174.7	174.6	179.8	-0.4	112.5	V105 N106 D107 N565	R86-V105 CarbonylContact O-C 3.58Å; R86-V105 WeakPolarHBondContact O-CA 3.29Å; R86-V105 WeakPolarHBondContact O-CG1 3.03Å; R86-N106 VanDerWaalsContact C-CB 3.42Å; R86-N106 VanDerWaalsContact C-N 3.28Å; R86-N106 HydrophobicContact CB-CB 3.33Å; R86-N106 HydrophobicContact CG-CB 4.37Å; R86-N106 WeakPolarHBondContact O-CA 3.03Å; R86-N106 WeakPolarHBondContact O-CB 3.3Å; R86-N106 PolarHBondContact O-N 3.36Å; R86-D107 PolarHBondContact N-OD1 3.14Å; R86-N565 VanDerWaalsContact C-C 3.5Å; R86-N565 CarbonylContact C-O 3.56Å; R86-N565 VanDerWaalsContact CA-C 3.45Å; R86-N565 WeakPolarHBondContact CA-O 3.38Å; R86-N565 HydrophobicContact CB-CB 3.73Å; R86-N565 WeakPolarHBondContact CB-OD1 3.36Å; R86-N565 WeakPolarHBondContact CD-OD1 3.3Å; R86-N565 HydrophobicContact CG-CB 3.66Å; R86-N565 VanDerWaalsContact CG-CG 3.43Å; R86-N565 WeakPolarHBondContact CG-OD1 3.21Å
87	V	44.4	Very low	44.1	Very low	1 Å²	1	68.8 Å²	68.8	1%	0.006	35%	0.352	C	S	.	.			trans	-152.6	130.5	-178.2	179.4	0	0	0	0	107.3	V103 T104 V105 T537 M563 S564 N565 I568	V87-V103 HydrophobicContact CG1-CG1 4.15Å; V87-T104 CarbonylContact C-O 3.58Å; V87-T104 VanDerWaalsContact CA-O 3.23Å; V87-T104 WeakPolarHBondContact CA-O 3.34Å; V87-T104 WeakPolarHBondContact CG1-O 3.29Å; V87-V105 HydrophobicContact CB-CG2 4.42Å; V87-V105 HydrophobicContact CG1-CG2 4.07Å; V87-V105 HydrophobicContact CG2-CB 3.87Å; V87-V105 HydrophobicContact CG2-CG1 3.59Å; V87-V105 HydrophobicContact CG2-CG2 3.64Å; V87-T537 PolarHBondContact O-OG1 3.47Å; V87-M563 HydrophobicContact CG1-CE 3.46Å; V87-M563 VanDerWaalsContact CG1-CE 3.46Å; V87-S564 WeakPolarHBondContact CB-O 3.35Å; V87-N565 WeakPolarHBondContact CA-O 3.23Å; V87-N565 WeakPolarHBondContact CB-O 3.42Å; V87-N565 WeakPolarHBondContact CG2-O 3.4Å; V87-N565 PolarHBondContact N-O 3.23Å; V87-I568 HydrophobicContact CG1-CD1 3.7Å; V87-I568 HydrophobicContact CG1-CG1 3.71Å
88	N	50.2	Low	43.8	Very low	31 Å²	31	69.1 Å²	69.1	17%	0.166	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	132.3	175.6	-59.7	-61.6	0	0	0	109.5	T104 N106	N88-T104 PolarHBondContact N-O 2.85Å; N88-T104 PolarHBondContact O-N 2.04Å; N88-T104 VanDerWaalsContact O-O 3.06Å; N88-T104 PolarHBondContact O-OG1 3.47Å; N88-N106 VanDerWaalsContact ND2-CG 3.27Å; N88-N106 PolarHBondContact ND2-ND2 3.42Å; N88-N106 VanDerWaalsContact ND2-ND2 3.17Å; N88-N106 PolarHBondContact ND2-OD1 2.99Å
89	L	55.5	Low	43.7	Very low	14 Å²	14	68.9 Å²	68.9	7%	0.073	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	134	161.7	-131.7	85.7	0	0	0	106.2	C92 L100 V103 Y540 M563	L89-C92 HydrophobicContact CD2-CB 3.99Å; L89-L100 HydrophobicContact CD1-CD1 4.38Å; L89-L100 HydrophobicContact CD2-CD2 4.3Å; L89-V103 HydrophobicContact CD1-CG2 3.69Å; L89-Y540 HydrophobicContact CB-CE2 3.83Å; L89-Y540 HydrophobicContact CD2-CD2 3.94Å; L89-Y540 HydrophobicContact CD2-CE2 3.85Å; L89-Y540 HydrophobicContact CG-CE2 4.44Å; L89-M563 HydrophobicContact CB-CE 3.73Å; L89-M563 HydrophobicContact CB-SD 3.48Å; L89-M563 WeakPolarHBondContact CB-SD 3.38Å; L89-M563 HydrophobicContact CD1-CE 3.55Å; L89-M563 HydrophobicContact CD1-SD 3.51Å; L89-M563 VanDerWaalsContact CD1-SD 3.51Å; L89-M563 HydrophobicContact CG-CE 4.24Å; L89-M563 HydrophobicContact CG-SD 4.01Å
90	L	54.1	Low	43.9	Very low	25 Å²	25	66.3 Å²	66.3	13%	0.131	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-23.3	177.4	-65.2	178.3	0	0	0	112.8	A102 T104 L112 I152	L90-A102 HydrophobicContact CB-CB 4.18Å; L90-A102 PolarHBondContact N-O 3.31Å; L90-T104 HydrophobicContact CD1-CG2 3.55Å; L90-T104 HydrophobicContact CG-CG2 4.16Å; L90-L112 HydrophobicContact CD1-CD1 4.47Å; L90-I152 HydrophobicContact CD1-CB 3.99Å; L90-I152 HydrophobicContact CD1-CG2 3.34Å
91	N	47.8	Very low	44.4	Very low	50 Å²	50	65.2 Å²	65.2	27%	0.267	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	127.2	174.8	-160.4	2.7	0	0	0	110.1	A102 Y155	N91-A102 HydrophobicContact CB-CB 4.46Å; N91-Y155 HydrophobicContact CB-CD1 3.61Å; N91-Y155 HydrophobicContact CB-CE1 4.28Å
92	C	44.6	Very low	45.2	Very low	16 Å²	16	57.5 Å²	57.5	11%	0.108	29%	0.293	C	S	.	.			trans	-101.3	113.8	153.2	-116.1	0	0	0	0	104	L89 Q94 L100	L89-C92 HydrophobicContact CD2-CB 3.99Å; C92-Q94 PolarHBondContact O-N 2.82Å; C92-L100 WeakPolarHBondContact SG-CD2 3.16Å
93	S	34.6	Very low	46.2	Very low	23 Å²	23	50.8 Å²	50.8	16%	0.161	26%	0.261	C	S	.	.			trans	-59.4	117.1	168.4	56.4	0	0	0	0	106.6	G95 E97	S93-G95 PolarHBondContact O-N 2.91Å; S93-E97 WeakPolarHBondContact CB-OE2 3.4Å; S93-E97 WeakPolarHBondContact OG-CB 3.4Å; S93-E97 PolarHBondContact OG-OE2 3.39Å
94	Q	35.3	Very low	47	Very low	151 Å²	151	45.6 Å²	45.6	71%	0.706	23%	0.229	S	C	*	.	S	Bend	trans	-68.9	28.7	172.6	-72.6	-154.5	-69.4	0	0	112.5	C92 E335	C92-Q94 PolarHBondContact O-N 2.82Å; Q94-E335 WeakPolarHBondContact CG-OE1 3.41Å; Q94-E335 PolarHBondContact NE2-OE1 3.46Å; Q94-E335 PolarHBondContact NE2-OE2 3.48Å; Q94-E335 PolarHBondContact OE1-OE1 2.79Å
95	G	32.9	Very low	47.7	Very low	42 Å²	42	37.4 Å²	37.4	43%	0.433	19%	0.191	S	C	.	.	S	Bend	trans	-99.1	172.3	171.2	0	0	0	0	0	110.3	S93 E97	S93-G95 PolarHBondContact O-N 2.91Å; G95-E97 PolarHBondContact O-N 2.84Å
96	K	40.1	Very low	48	Very low	155 Å²	155	38 Å²	38	67%	0.674	19%	0.194	S	C	*	.	S	Bend	trans	-60.1	17.1	170.7	-63.2	167.9	167.4	-139.7	0	114.3	E545	K96-E545 HydrophobicContact CB-CG 4.3Å; K96-E545 VanDerWaalsContact CD-CD 3.49Å; K96-E545 WeakPolarHBondContact CD-OE1 3.29Å; K96-E545 WeakPolarHBondContact CD-OE2 3.17Å; K96-E545 WeakPolarHBondContact CE-OE1 3.46Å; K96-E545 HydrophobicContact CG-CG 4.24Å; K96-E545 WeakPolarHBondContact CG-OE1 3.38Å; K96-E545 IonicContact NZ-OE1 3.38Å; K96-E545 PolarHBondContact NZ-OE1 2.77Å; K96-E545 IonicContact NZ-OE2 2.79Å
97	E	49.3	Very low	48	Very low	70 Å²	70	35.8 Å²	35.8	33%	0.327	19%	0.191	S	C	.	.			trans	-77.8	125.9	179.4	-81.5	-177.8	152.1	0	0	109.6	S93 G95 N99 K157 Q542	S93-E97 WeakPolarHBondContact CB-OE2 3.4Å; S93-E97 WeakPolarHBondContact OG-CB 3.4Å; S93-E97 PolarHBondContact OG-OE2 3.39Å; G95-E97 PolarHBondContact O-N 2.84Å; E97-N99 PolarHBondContact O-N 2.93Å; E97-N99 VanDerWaalsContact O-N 3.14Å; E97-K157 IonicContact OE1-NZ 2.8Å; E97-K157 PolarHBondContact OE1-NZ 3.46Å; E97-K157 IonicContact OE2-NZ 2.71Å; E97-Q542 PolarHBondContact O-NE2 2.84Å
98	T	50.2	Low	48.2	Very low	45 Å²	45	38 Å²	38	28%	0.276	20%	0.2	S	C	.	.			trans	-77	10.8	-178.9	51	0	0	0	0	113.8	A117	T98-A117 VanDerWaalsContact O-CB 3.31Å; T98-A117 WeakPolarHBondContact O-CB 3.35Å; T98-A117 PolarHBondContact O-N 2.98Å
99	N	53.1	Low	48.9	Very low	28 Å²	28	37 Å²	37	15%	0.15	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	138.3	-169.9	-56.5	-40.9	0	0	0	111.9	E97 E101 K123	E97-N99 PolarHBondContact O-N 2.93Å; E97-N99 VanDerWaalsContact O-N 3.14Å; N99-E101 HydrophobicContact CB-CG 4.31Å; N99-E101 PolarHBondContact O-N 3.3Å; N99-K123 PolarHBondContact ND2-NZ 3.3Å; N99-K123 WeakPolarHBondContact OD1-CE 3.43Å; N99-K123 PolarHBondContact OD1-NZ 3.22Å
100	L	56.6	Low	50.2	Low	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	95.4	162.3	-58	175.8	0	0	0	107.6	L89 C92 A102 V103 N114 I115 A117 F120 V561	L89-L100 HydrophobicContact CD1-CD1 4.38Å; L89-L100 HydrophobicContact CD2-CD2 4.3Å; C92-L100 WeakPolarHBondContact SG-CD2 3.16Å; L100-A102 PolarHBondContact O-N 3.13Å; L100-V103 HydrophobicContact CB-CG2 3.91Å; L100-V103 HydrophobicContact CD1-CG2 4.42Å; L100-N114 PolarHBondContact O-OD1 3.17Å; L100-I115 CarbonylContact C-O 3.39Å; L100-I115 WeakPolarHBondContact CA-O 3.33Å; L100-I115 WeakPolarHBondContact CB-O 3.5Å; L100-I115 PolarHBondContact N-O 3.25Å; L100-I115 PolarHBondContact O-N 3.3Å; L100-I115 VanDerWaalsContact O-O 3.1Å; L100-A117 HydrophobicContact CD1-CB 4.46Å; L100-A117 HydrophobicContact CD2-CB 4.18Å; L100-A117 HydrophobicContact CG-CB 3.81Å; L100-F120 HydrophobicContact CD1-CD1 4.41Å; L100-F120 HydrophobicContact CD1-CE1 3.76Å; L100-V561 HydrophobicContact CD1-CG1 4.35Å; L100-V561 HydrophobicContact CD2-CG2 4.45Å
101	E	59.6	Low	51.6	Low	14 Å²	14	36.5 Å²	36.5	7%	0.065	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	-19	-169.5	-57.8	-158.5	126	0	0	113.9	N99 Y155 K157	N99-E101 HydrophobicContact CB-CG 4.31Å; N99-E101 PolarHBondContact O-N 3.3Å; E101-Y155 HydrophobicContact CB-CE1 4.09Å; E101-K157 VanDerWaalsContact CD-NZ 3.35Å; E101-K157 IonicContact OE1-NZ 3.17Å; E101-K157 PolarHBondContact OE1-NZ 3.31Å; E101-K157 WeakPolarHBondContact OE2-CD 3.47Å; E101-K157 IonicContact OE2-NZ 3.14Å; E101-K157 PolarHBondContact OE2-NZ 2.86Å
102	A	56.2	Low	53.2	Low	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	92.7	-174.5	0	0	0	0	0	113.9	L90 N91 L100 L112 Y155	L90-A102 HydrophobicContact CB-CB 4.18Å; L90-A102 PolarHBondContact N-O 3.31Å; N91-A102 HydrophobicContact CB-CB 4.46Å; L100-A102 PolarHBondContact O-N 3.13Å; A102-L112 HydrophobicContact CB-CD1 3.83Å; A102-Y155 HydrophobicContact CB-CD1 3.39Å; A102-Y155 HydrophobicContact CB-CD2 3.67Å; A102-Y155 HydrophobicContact CB-CE1 3.87Å; A102-Y155 HydrophobicContact CB-CE2 4.15Å; A102-Y155 HydrophobicContact CB-CG 3.27Å
103	V	55.9	Low	54.9	Low	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	122.4	172.9	-176.7	0	0	0	0	109.2	V87 L89 L100 V105 Y113 I115 I568	V87-V103 HydrophobicContact CG1-CG1 4.15Å; L89-V103 HydrophobicContact CD1-CG2 3.69Å; L100-V103 HydrophobicContact CB-CG2 3.91Å; L100-V103 HydrophobicContact CD1-CG2 4.42Å; V103-V105 HydrophobicContact CG1-CG2 4.46Å; V103-Y113 PolarHBondContact N-O 3.06Å; V103-Y113 PolarHBondContact O-N 3.46Å; V103-I115 HydrophobicContact CB-CD1 3.91Å; V103-I115 HydrophobicContact CB-CG1 4.37Å; V103-I115 HydrophobicContact CG1-CD1 4.09Å; V103-I115 HydrophobicContact CG2-CB 4.5Å; V103-I115 HydrophobicContact CG2-CD1 3.93Å; V103-I115 HydrophobicContact CG2-CG1 4.16Å; V103-I568 HydrophobicContact CB-CD1 4.44Å; V103-I568 HydrophobicContact CG1-CD1 3.23Å; V103-I568 HydrophobicContact CG2-CD1 4.43Å
104	T	49.6	Very low	57	Low	3 Å²	3	34.8 Å²	34.8	2%	0.018	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	126.9	174	63.3	0	0	0	0	108.2	V87 N88 L90 L112 I152	V87-T104 CarbonylContact C-O 3.58Å; V87-T104 VanDerWaalsContact CA-O 3.23Å; V87-T104 WeakPolarHBondContact CA-O 3.34Å; V87-T104 WeakPolarHBondContact CG1-O 3.29Å; N88-T104 PolarHBondContact N-O 2.85Å; N88-T104 PolarHBondContact O-N 2.04Å; N88-T104 VanDerWaalsContact O-O 3.06Å; N88-T104 PolarHBondContact O-OG1 3.47Å; L90-T104 HydrophobicContact CD1-CG2 3.55Å; L90-T104 HydrophobicContact CG-CG2 4.16Å; T104-L112 HydrophobicContact CG2-CB 4.41Å; T104-L112 HydrophobicContact CG2-CD1 3.31Å; T104-L112 HydrophobicContact CG2-CG 4.48Å; T104-I152 HydrophobicContact CG2-CB 3.75Å; T104-I152 HydrophobicContact CG2-CG1 4.27Å; T104-I152 HydrophobicContact CG2-CG2 4.08Å
105	V	48.1	Very low	59.1	Low	2 Å²	2	27.6 Å²	27.6	1%	0.012	15%	0.147	C	C	.	.			trans	-101.1	105.4	175.3	176.7	0	0	0	0	103.8	L80 N85 R86 V87 V103 D107 F108 S109 Y113	L80-V105 HydrophobicContact CD1-CB 3.92Å; L80-V105 HydrophobicContact CD1-CG1 3.94Å; L80-V105 HydrophobicContact CD1-CG2 3.39Å; N85-V105 HydrophobicContact CB-CG1 3.93Å; R86-V105 CarbonylContact O-C 3.58Å; R86-V105 WeakPolarHBondContact O-CA 3.29Å; R86-V105 WeakPolarHBondContact O-CG1 3.03Å; V87-V105 HydrophobicContact CB-CG2 4.42Å; V87-V105 HydrophobicContact CG1-CG2 4.07Å; V87-V105 HydrophobicContact CG2-CB 3.87Å; V87-V105 HydrophobicContact CG2-CG1 3.59Å; V87-V105 HydrophobicContact CG2-CG2 3.64Å; V103-V105 HydrophobicContact CG1-CG2 4.46Å; V105-D107 PolarHBondContact O-N 2.93Å; V105-F108 HydrophobicContact CB-CB 4.37Å; V105-F108 HydrophobicContact CB-CD2 3.77Å; V105-F108 HydrophobicContact CG1-CD2 3.68Å; V105-F108 HydrophobicContact CG1-CE2 4.28Å; V105-F108 CarbonylContact O-C 3.59Å; V105-F108 WeakPolarHBondContact O-CA 3.33Å; V105-F108 WeakPolarHBondContact O-CB 3.32Å; V105-F108 PolarHBondContact O-N 3.43Å; V105-F108 VanDerWaalsContact O-O 3.06Å; V105-S109 PolarHBondContact O-N 3.33Å; V105-Y113 HydrophobicContact CG2-CE2 4.5Å
106	N	46	Very low	61.1	Low	13 Å²	13	25.9 Å²	25.9	7%	0.07	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-5.8	-175.6	-100.4	11.4	0	0	0	118.9	R86 N88 S109 Y151	R86-N106 VanDerWaalsContact C-CB 3.42Å; R86-N106 VanDerWaalsContact C-N 3.28Å; R86-N106 HydrophobicContact CB-CB 3.33Å; R86-N106 HydrophobicContact CG-CB 4.37Å; R86-N106 WeakPolarHBondContact O-CA 3.03Å; R86-N106 WeakPolarHBondContact O-CB 3.3Å; R86-N106 PolarHBondContact O-N 3.36Å; N88-N106 VanDerWaalsContact ND2-CG 3.27Å; N88-N106 PolarHBondContact ND2-ND2 3.42Å; N88-N106 VanDerWaalsContact ND2-ND2 3.17Å; N88-N106 PolarHBondContact ND2-OD1 2.99Å; N106-S109 WeakPolarHBondContact O-CB 3.2Å; N106-S109 PolarHBondContact O-N 3.45Å; N106-Y151 HydrophobicContact CB-CD1 4.31Å; N106-Y151 HydrophobicContact CB-CE1 4.17Å; N106-Y151 WeakPolarHBondContact O-CE1 3.49Å; N106-Y151 WeakPolarHBondContact OD1-CD1 3.5Å
107	D	42.9	Very low	62.6	Low	68 Å²	68	18.5 Å²	18.5	36%	0.364	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109	-3.7	161.8	-69.2	29.8	0	0	0	112.3	N85 R86 V105	N85-D107 VanDerWaalsContact CA-OD1 3.29Å; N85-D107 WeakPolarHBondContact CA-OD1 3.29Å; N85-D107 WeakPolarHBondContact CA-OD2 3.39Å; N85-D107 HydrophobicContact CB-CB 3.44Å; N85-D107 VanDerWaalsContact CB-CB 3.44Å; N85-D107 VanDerWaalsContact CG-CG 3.45Å; N85-D107 WeakPolarHBondContact ND2-CB 3.3Å; N85-D107 WeakPolarHBondContact OD1-CB 3.35Å; N85-D107 PolarHBondContact OD1-OD2 2.62Å; R86-D107 PolarHBondContact N-OD1 3.14Å; V105-D107 PolarHBondContact O-N 2.93Å
108	F	49.5	Very low	63.6	Low	47 Å²	47	19.1 Å²	19.1	21%	0.206	10%	0.1	C	C	.	.	S	Bend	trans	-89	45.1	133.6	-53.3	-92.2	0	0	0	110.1	L80 V105 N110 V111 Y113	L80-F108 HydrophobicContact CB-CE2 3.7Å; L80-F108 HydrophobicContact CB-CZ 4.35Å; L80-F108 HydrophobicContact CD1-CD2 3.86Å; L80-F108 HydrophobicContact CD1-CE2 3.56Å; L80-F108 HydrophobicContact CD1-CZ 4.39Å; L80-F108 HydrophobicContact CD2-CE2 3.85Å; L80-F108 HydrophobicContact CD2-CZ 3.89Å; L80-F108 HydrophobicContact CG-CE2 3.89Å; L80-F108 HydrophobicContact CG-CZ 4.44Å; V105-F108 HydrophobicContact CB-CB 4.37Å; V105-F108 HydrophobicContact CB-CD2 3.77Å; V105-F108 HydrophobicContact CG1-CD2 3.68Å; V105-F108 HydrophobicContact CG1-CE2 4.28Å; V105-F108 CarbonylContact O-C 3.59Å; V105-F108 WeakPolarHBondContact O-CA 3.33Å; V105-F108 WeakPolarHBondContact O-CB 3.32Å; V105-F108 PolarHBondContact O-N 3.43Å; V105-F108 VanDerWaalsContact O-O 3.06Å; F108-N110 PolarHBondContact O-N 3.25Å; F108-V111 HydrophobicContact CB-CB 3.73Å; F108-V111 HydrophobicContact CB-CG2 3.79Å; F108-V111 HydrophobicContact CD1-CB 4.5Å; F108-V111 HydrophobicContact CD1-CG2 3.98Å; F108-V111 HydrophobicContact CG-CG2 4.36Å; F108-V111 PolarHBondContact O-N 3.01Å; F108-Y113 HydrophobicContact CB-CE2 4.14Å; F108-Y113 WeakPolarHBondContact CD1-OH 3.32Å; F108-Y113 HydrophobicContact CD2-CE2 4.33Å; F108-Y113 VanDerWaalsContact CE1-OH 3.28Å; F108-Y113 WeakPolarHBondContact CE1-OH 3.33Å; F108-Y113 HydrophobicContact CG-CE2 4.06Å; F108-Y113 WeakPolarHBondContact CG-OH 3.4Å
109	S	65.7	Low	64.7	Low	12 Å²	12	21.3 Å²	21.3	8%	0.084	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-40.8	136.4	141.1	64.9	0	0	0	0	106	V105 N106 Q149 N150	V105-S109 PolarHBondContact O-N 3.33Å; N106-S109 WeakPolarHBondContact O-CB 3.2Å; N106-S109 PolarHBondContact O-N 3.45Å; S109-Q149 VanDerWaalsContact CB-CB 3.42Å; S109-Q149 WeakPolarHBondContact OG-CB 3.4Å; S109-Q149 WeakPolarHBondContact OG-CG 3.49Å; S109-N150 CarbonylContact C-O 3.46Å
110	N	82.1	Confident	65.7	Low	15 Å²	15	20.6 Å²	20.6	8%	0.08	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	3.2	-171.8	-34.6	-50.5	0	0	0	116.7	F108 K127 W128 M129 P130 Q149 N150	F108-N110 PolarHBondContact O-N 3.25Å; N110-K127 CarbonylContact O-C 3.54Å; N110-K127 WeakPolarHBondContact O-CA 3.42Å; N110-W128 VanDerWaalsContact CA-O 3.25Å; N110-W128 WeakPolarHBondContact CA-O 3.35Å; N110-W128 WeakPolarHBondContact CB-O 3.48Å; N110-W128 CarbonylContact O-C 3.52Å; N110-W128 PolarHBondContact O-N 2.88Å; N110-M129 HydrophobicContact CB-CB 4.15Å; N110-M129 HydrophobicContact CB-CG 3.49Å; N110-M129 VanDerWaalsContact CB-CG 3.49Å; N110-P130 WeakPolarHBondContact OD1-CD 3.34Å; N110-Q149 PolarHBondContact ND2-OE1 2.64Å; N110-N150 PolarHBondContact N-O 2.89Å; N110-N150 WeakPolarHBondContact OD1-CA 3.31Å; N110-N150 WeakPolarHBondContact OD1-CB 3.37Å; N110-N150 PolarHBondContact OD1-N 3.33Å
111	V	82.5	Confident	66.6	Low	12 Å²	12	22.9 Å²	22.9	7%	0.073	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	141.5	177.9	-164.3	0	0	0	0	112.6	F108 Y113 I125 V126 K127	F108-V111 HydrophobicContact CB-CB 3.73Å; F108-V111 HydrophobicContact CB-CG2 3.79Å; F108-V111 HydrophobicContact CD1-CB 4.5Å; F108-V111 HydrophobicContact CD1-CG2 3.98Å; F108-V111 HydrophobicContact CG-CG2 4.36Å; F108-V111 PolarHBondContact O-N 3.01Å; V111-Y113 HydrophobicContact CB-CE2 4.09Å; V111-Y113 HydrophobicContact CG1-CD2 4.25Å; V111-Y113 HydrophobicContact CG1-CE2 3.76Å; V111-I125 HydrophobicContact CG1-CG2 3.34Å; V111-V126 CarbonylContact C-O 3.56Å; V111-V126 VanDerWaalsContact CA-O 3.29Å; V111-V126 WeakPolarHBondContact CA-O 3.37Å; V111-V126 WeakPolarHBondContact CG1-O 3.43Å; V111-K127 HydrophobicContact CG1-CG 4.25Å; V111-K127 HydrophobicContact CG2-CG 4.25Å
112	L	82	Confident	67.5	Low	7 Å²	7	25.2 Å²	25.2	4%	0.037	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	132.1	168.2	179.4	75.4	0	0	0	109.2	L90 A102 T104 I125 V126 Y155 I165	L90-L112 HydrophobicContact CD1-CD1 4.47Å; A102-L112 HydrophobicContact CB-CD1 3.83Å; T104-L112 HydrophobicContact CG2-CB 4.41Å; T104-L112 HydrophobicContact CG2-CD1 3.31Å; T104-L112 HydrophobicContact CG2-CG 4.48Å; L112-I125 CarbonylContact O-C 3.51Å; L112-I125 WeakPolarHBondContact O-CA 3.23Å; L112-V126 HydrophobicContact CB-CB 4.24Å; L112-V126 PolarHBondContact N-O 3.48Å; L112-V126 PolarHBondContact O-N 3.25Å; L112-Y155 HydrophobicContact CD2-CD2 3.72Å; L112-Y155 HydrophobicContact CD2-CE2 3.98Å; L112-I165 HydrophobicContact CD2-CD1 3.45Å; L112-I165 VanDerWaalsContact CD2-CD1 3.45Å; L112-I165 HydrophobicContact CD2-CG1 4.14Å
113	Y	80.8	Confident	68.6	Low	17 Å²	17	30.7 Å²	30.7	7%	0.067	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	136.3	173.6	-62.7	-94.6	0	0	0	110.2	L80 V103 V105 F108 V111 V122 I125	L80-Y113 HydrophobicContact CD1-CE2 4.28Å; V103-Y113 PolarHBondContact N-O 3.06Å; V103-Y113 PolarHBondContact O-N 3.46Å; V105-Y113 HydrophobicContact CG2-CE2 4.5Å; F108-Y113 HydrophobicContact CB-CE2 4.14Å; F108-Y113 WeakPolarHBondContact CD1-OH 3.32Å; F108-Y113 HydrophobicContact CD2-CE2 4.33Å; F108-Y113 VanDerWaalsContact CE1-OH 3.28Å; F108-Y113 WeakPolarHBondContact CE1-OH 3.33Å; F108-Y113 HydrophobicContact CG-CE2 4.06Å; F108-Y113 WeakPolarHBondContact CG-OH 3.4Å; V111-Y113 HydrophobicContact CB-CE2 4.09Å; V111-Y113 HydrophobicContact CG1-CD2 4.25Å; V111-Y113 HydrophobicContact CG1-CE2 3.76Å; Y113-V122 HydrophobicContact CD1-CG1 4.04Å; Y113-V122 HydrophobicContact CD1-CG2 4.35Å; Y113-I125 HydrophobicContact CD1-CD1 4.28Å; Y113-I125 HydrophobicContact CD1-CG1 3.91Å; Y113-I125 HydrophobicContact CD1-CG2 4.49Å; Y113-I125 HydrophobicContact CE1-CD1 3.96Å; Y113-I125 HydrophobicContact CE1-CG1 4.04Å; Y113-I125 HydrophobicContact CE1-CG2 4.26Å
114	N	79.3	Confident	69.8	Low	29 Å²	29	32.7 Å²	32.7	16%	0.155	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	118.7	162.2	-179.8	-12.6	0	0	0	107	L100 K123 Q124	L100-N114 PolarHBondContact O-OD1 3.17Å; N114-K123 PolarHBondContact O-N 2.96Å; N114-Q124 HydrophobicContact CB-CB 3.92Å; N114-Q124 PolarHBondContact N-O 2.73Å; N114-Q124 PolarHBondContact O-N 2.99Å
115	I	78	Confident	71.4	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	139	-169.8	-47.5	-177.5	0	0	0	109.2	F78 L100 V103 A117 F120 S121	F78-I115 HydrophobicContact CD1-CD1 4.31Å; F78-I115 HydrophobicContact CE1-CD1 3.89Å; F78-I115 HydrophobicContact CE2-CD1 4.48Å; F78-I115 HydrophobicContact CZ-CD1 4Å; L100-I115 CarbonylContact C-O 3.39Å; L100-I115 WeakPolarHBondContact CA-O 3.33Å; L100-I115 WeakPolarHBondContact CB-O 3.5Å; L100-I115 PolarHBondContact N-O 3.25Å; L100-I115 PolarHBondContact O-N 3.3Å; L100-I115 VanDerWaalsContact O-O 3.1Å; V103-I115 HydrophobicContact CB-CD1 3.91Å; V103-I115 HydrophobicContact CB-CG1 4.37Å; V103-I115 HydrophobicContact CG1-CD1 4.09Å; V103-I115 HydrophobicContact CG2-CB 4.5Å; V103-I115 HydrophobicContact CG2-CD1 3.93Å; V103-I115 HydrophobicContact CG2-CG1 4.16Å; I115-A117 PolarHBondContact O-N 2.9Å; I115-F120 HydrophobicContact CG2-CB 4.16Å; I115-F120 HydrophobicContact CG2-CD1 3.94Å; I115-F120 VanDerWaalsContact CG2-O 3.3Å; I115-F120 WeakPolarHBondContact CG2-O 3.15Å; I115-S121 WeakPolarHBondContact CA-O 3.18Å; I115-S121 WeakPolarHBondContact CG2-O 3.33Å
116	S	76	Confident	73.2	Confident	7 Å²	7	36.5 Å²	36.5	5%	0.049	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	130.7	168.7	175	0	0	0	0	110.8	E118 D119 F120 S121	S116-E118 VanDerWaalsContact C-N 3.29Å; S116-E118 PolarHBondContact OG-N 3.46Å; S116-D119 WeakPolarHBondContact CB-OD1 3.35Å; S116-D119 PolarHBondContact OG-OD1 3.4Å; S116-F120 WeakPolarHBondContact O-CA 3.47Å; S116-F120 PolarHBondContact O-N 3.5Å; S116-S121 WeakPolarHBondContact CB-OG 3.46Å; S116-S121 PolarHBondContact N-O 2.92Å
117	A	71	Confident	75.2	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-18.4	177.4	0	0	0	0	0	112.2	T98 L100 I115 Q542 F544 L570	T98-A117 VanDerWaalsContact O-CB 3.31Å; T98-A117 WeakPolarHBondContact O-CB 3.35Å; T98-A117 PolarHBondContact O-N 2.98Å; L100-A117 HydrophobicContact CD1-CB 4.46Å; L100-A117 HydrophobicContact CD2-CB 4.18Å; L100-A117 HydrophobicContact CG-CB 3.81Å; I115-A117 PolarHBondContact O-N 2.9Å; A117-Q542 HydrophobicContact CB-CG 4.14Å; A117-F544 VanDerWaalsContact C-CE1 3.43Å; A117-F544 HydrophobicContact CB-CE1 3.51Å; A117-F544 HydrophobicContact CB-CZ 3.7Å; A117-F544 WeakPolarHBondContact O-CZ 3.45Å; A117-L570 WeakPolarHBondContact O-CD1 3.46Å
118	E	70.9	Confident	77.4	Confident	83 Å²	83	40.2 Å²	40.2	39%	0.388	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-44.9	-176	-169.7	176.5	173.6	0	0	111.5	S116 F544 K550 K559	S116-E118 VanDerWaalsContact C-N 3.29Å; S116-E118 PolarHBondContact OG-N 3.46Å; E118-F544 HydrophobicContact CB-CE1 4.29Å; E118-K550 IonicContact OE1-NZ 3.09Å; E118-K550 PolarHBondContact OE1-NZ 3.25Å; E118-K550 IonicContact OE2-NZ 3.91Å; E118-K559 PolarHBondContact O-NZ 2.63Å
119	D	72.6	Confident	79.4	Confident	91 Å²	91	44.4 Å²	44.4	49%	0.487	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-135.9	6.2	-168.3	70	-17.1	0	0	0	114.7	S116 S121	S116-D119 WeakPolarHBondContact CB-OD1 3.35Å; S116-D119 PolarHBondContact OG-OD1 3.4Å; D119-S121 PolarHBondContact O-N 3.38Å; D119-S121 VanDerWaalsContact O-N 3.16Å; D119-S121 WeakPolarHBondContact OD1-CB 3.39Å; D119-S121 PolarHBondContact OD1-N 2.96Å; D119-S121 VanDerWaalsContact OD1-N 3.11Å; D119-S121 PolarHBondContact OD1-OG 2.79Å; D119-S121 PolarHBondContact OD2-OG 3.39Å
120	F	73.6	Confident	80.8	Confident	13 Å²	13	44.4 Å²	44.4	6%	0.057	22%	0.223	C	C	.	.			trans	56.4	23	-174.9	-74.6	-38.4	0	0	0	116	F78 L100 I115 S116 V122 I568 L570	F78-F120 HydrophobicContact CB-CB 4.19Å; F78-F120 HydrophobicContact CB-CD2 3.66Å; F78-F120 HydrophobicContact CB-CE2 3.97Å; F78-F120 HydrophobicContact CB-CG 3.93Å; F78-F120 HydrophobicContact CD2-CB 4.22Å; L100-F120 HydrophobicContact CD1-CD1 4.41Å; L100-F120 HydrophobicContact CD1-CE1 3.76Å; I115-F120 HydrophobicContact CG2-CB 4.16Å; I115-F120 HydrophobicContact CG2-CD1 3.94Å; I115-F120 VanDerWaalsContact CG2-O 3.3Å; I115-F120 WeakPolarHBondContact CG2-O 3.15Å; S116-F120 WeakPolarHBondContact O-CA 3.47Å; S116-F120 PolarHBondContact O-N 3.5Å; F120-V122 PolarHBondContact O-N 2.92Å; F120-I568 HydrophobicContact CE1-CG2 3.97Å; F120-I568 HydrophobicContact CE2-CG2 4.33Å; F120-I568 HydrophobicContact CZ-CB 4.09Å; F120-I568 HydrophobicContact CZ-CG2 3.42Å; F120-I568 VanDerWaalsContact CZ-CG2 3.42Å; F120-L570 HydrophobicContact CD1-CD1 3.98Å; F120-L570 HydrophobicContact CD2-CD1 3.62Å; F120-L570 HydrophobicContact CD2-CG 4.13Å; F120-L570 HydrophobicContact CE1-CD1 3.78Å; F120-L570 HydrophobicContact CE1-CD2 4.35Å; F120-L570 HydrophobicContact CE1-CG 3.91Å; F120-L570 HydrophobicContact CE2-CB 4.12Å; F120-L570 HydrophobicContact CE2-CD1 3.43Å; F120-L570 VanDerWaalsContact CE2-CD1 3.43Å; F120-L570 HydrophobicContact CE2-CG 3.4Å; F120-L570 VanDerWaalsContact CE2-CG 3.4Å; F120-L570 HydrophobicContact CG-CD1 3.91Å; F120-L570 HydrophobicContact CZ-CB 4.36Å; F120-L570 HydrophobicContact CZ-CD1 3.53Å; F120-L570 HydrophobicContact CZ-CD2 4.02Å; F120-L570 HydrophobicContact CZ-CG 3.29Å
121	S	77.1	Confident	81.5	Confident	48 Å²	48	47.4 Å²	47.4	34%	0.336	24%	0.242	S	C	.	.			trans	-68.1	131	172.2	58.6	0	0	0	0	111.5	I115 S116 D119 K123	I115-S121 WeakPolarHBondContact CA-O 3.18Å; I115-S121 WeakPolarHBondContact CG2-O 3.33Å; S116-S121 WeakPolarHBondContact CB-OG 3.46Å; S116-S121 PolarHBondContact N-O 2.92Å; D119-S121 PolarHBondContact O-N 3.38Å; D119-S121 VanDerWaalsContact O-N 3.16Å; D119-S121 WeakPolarHBondContact OD1-CB 3.39Å; D119-S121 PolarHBondContact OD1-N 2.96Å; D119-S121 VanDerWaalsContact OD1-N 3.11Å; D119-S121 PolarHBondContact OD1-OG 2.79Å; D119-S121 PolarHBondContact OD2-OG 3.39Å; S121-K123 PolarHBondContact O-N 3.31Å
122	V	78.1	Confident	82.2	Confident	63 Å²	63	54.9 Å²	54.9	38%	0.382	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	118.1	177.5	179.8	0	0	0	0	109.3	F78 Y113 F120 I125	F78-V122 HydrophobicContact CE2-CG2 3.99Å; F78-V122 HydrophobicContact CZ-CG2 4.13Å; Y113-V122 HydrophobicContact CD1-CG1 4.04Å; Y113-V122 HydrophobicContact CD1-CG2 4.35Å; F120-V122 PolarHBondContact O-N 2.92Å; V122-I125 HydrophobicContact CG1-CD1 3.98Å; V122-I125 HydrophobicContact CG1-CG1 3.56Å
123	K	79.6	Confident	82.9	Confident	114 Å²	114	57.5 Å²	57.5	50%	0.496	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-39.8	177.9	-65.3	-169.1	173.9	-171.6	0	112.4	N99 N114 S121	N99-K123 PolarHBondContact ND2-NZ 3.3Å; N99-K123 WeakPolarHBondContact OD1-CE 3.43Å; N99-K123 PolarHBondContact OD1-NZ 3.22Å; N114-K123 PolarHBondContact O-N 2.96Å; S121-K123 PolarHBondContact O-N 3.31Å
124	Q	79.7	Confident	83.7	Confident	43 Å²	43	57.5 Å²	57.5	20%	0.201	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	149.4	-177.1	-171.2	175.1	2.9	0	0	111.5	N114	N114-Q124 HydrophobicContact CB-CB 3.92Å; N114-Q124 PolarHBondContact N-O 2.73Å; N114-Q124 PolarHBondContact O-N 2.99Å
125	I	83.4	Confident	84.5	Confident	79 Å²	79	58.3 Å²	58.3	41%	0.405	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	126.8	176.6	-53.7	178.3	0	0	0	108.1	V111 L112 Y113 V122 K127	V111-I125 HydrophobicContact CG1-CG2 3.34Å; L112-I125 CarbonylContact O-C 3.51Å; L112-I125 WeakPolarHBondContact O-CA 3.23Å; Y113-I125 HydrophobicContact CD1-CD1 4.28Å; Y113-I125 HydrophobicContact CD1-CG1 3.91Å; Y113-I125 HydrophobicContact CD1-CG2 4.49Å; Y113-I125 HydrophobicContact CE1-CD1 3.96Å; Y113-I125 HydrophobicContact CE1-CG1 4.04Å; Y113-I125 HydrophobicContact CE1-CG2 4.26Å; V122-I125 HydrophobicContact CG1-CD1 3.98Å; V122-I125 HydrophobicContact CG1-CG1 3.56Å; I125-K127 HydrophobicContact CG2-CG 4.16Å
126	V	85.6	Confident	85.5	Confident	6 Å²	6	64.1 Å²	64.1	4%	0.036	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	114.5	172	-179.1	0	0	0	0	108.3	V111 L112 I165 Y178 F180	V111-V126 CarbonylContact C-O 3.56Å; V111-V126 VanDerWaalsContact CA-O 3.29Å; V111-V126 WeakPolarHBondContact CA-O 3.37Å; V111-V126 WeakPolarHBondContact CG1-O 3.43Å; L112-V126 HydrophobicContact CB-CB 4.24Å; L112-V126 PolarHBondContact N-O 3.48Å; L112-V126 PolarHBondContact O-N 3.25Å; V126-I165 HydrophobicContact CG1-CD1 4.46Å; V126-Y178 HydrophobicContact CG1-CE1 3.95Å; V126-F180 HydrophobicContact CG2-CE1 3.72Å; V126-F180 HydrophobicContact CG2-CZ 3.84Å
127	K	87.9	Confident	86.5	Confident	154 Å²	154	67.3 Å²	67.3	67%	0.67	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	119.2	176.3	-62.3	-175.6	-179.1	-177.2	0	109.9	N110 V111 I125	N110-K127 CarbonylContact O-C 3.54Å; N110-K127 WeakPolarHBondContact O-CA 3.42Å; V111-K127 HydrophobicContact CG1-CG 4.25Å; V111-K127 HydrophobicContact CG2-CG 4.25Å; I125-K127 HydrophobicContact CG2-CG 4.16Å
128	W	90.7	Very high	87.7	Confident	5 Å²	5	67.3 Å²	67.3	2%	0.019	34%	0.344	C	S	.	.			trans	-136.2	84.1	-178.9	-177.3	8.8	0	0	0	112	N110 N150 I152 I165 L174 R176	N110-W128 VanDerWaalsContact CA-O 3.25Å; N110-W128 WeakPolarHBondContact CA-O 3.35Å; N110-W128 WeakPolarHBondContact CB-O 3.48Å; N110-W128 CarbonylContact O-C 3.52Å; N110-W128 PolarHBondContact O-N 2.88Å; W128-N150 WeakPolarHBondContact O-CB 3.31Å; W128-N150 PolarHBondContact O-ND2 2.95Å; W128-I152 HydrophobicContact CD2-CD1 4.47Å; W128-I152 HydrophobicContact CE3-CD1 3.64Å; W128-I152 HydrophobicContact CZ3-CD1 4.09Å; W128-I165 HydrophobicContact CE3-CG2 4.11Å; W128-I165 HydrophobicContact CZ3-CB 4.4Å; W128-I165 HydrophobicContact CZ3-CG2 3.98Å; W128-I165 WeakPolarHBondContact CZ3-O 3.43Å; W128-L174 HydrophobicContact CH2-CB 3.99Å; W128-L174 WeakPolarHBondContact CH2-O 3.48Å; W128-L174 HydrophobicContact CZ2-CB 3.68Å; W128-L174 HydrophobicContact CZ2-CD1 4.35Å; W128-R176 VanDerWaalsContact CE2-CZ 3.47Å; W128-R176 HydrophobicContact CH2-CB 4.2Å; W128-R176 HydrophobicContact CH2-CG 3.85Å; W128-R176 HydrophobicContact CZ2-CG 3.78Å; W128-R176 HydrophobicContact CZ3-CB 4.41Å; W128-R176 HydrophobicContact CZ3-CG 4.42Å
129	M	91.3	Very high	89	Confident	134 Å²	134	66.8 Å²	66.8	66%	0.66	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-83.7	147.8	174.6	-65.8	179.5	-76.3	0	0	112.3	N110	N110-M129 HydrophobicContact CB-CB 4.15Å; N110-M129 HydrophobicContact CB-CG 3.49Å; N110-M129 VanDerWaalsContact CB-CG 3.49Å
130	P	94.1	Very high	90.2	Very high	12 Å²	12	70.3 Å²	70.3	8%	0.078	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-60.8	155	167.7	-16.1	25.1	0	0	0	111.5	N110 D134 I135 N150 N169 A170	N110-P130 WeakPolarHBondContact OD1-CD 3.34Å; P130-D134 HydrophobicContact CB-CB 4.37Å; P130-I135 HydrophobicContact CB-CD1 4.35Å; P130-I135 HydrophobicContact CB-CG1 3.88Å; P130-I135 HydrophobicContact CG-CG1 4.41Å; P130-N150 HydrophobicContact CG-CB 3.88Å; P130-N169 VanDerWaalsContact CA-OD1 3.27Å; P130-N169 WeakPolarHBondContact CA-OD1 3.13Å; P130-A170 HydrophobicContact CB-CB 3.95Å; P130-A170 HydrophobicContact CG-CB 4.01Å
131	T	96.6	Very high	91.2	Very high	78 Å²	78	74.6 Å²	74.6	48%	0.479	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-71.5	153.5	172.5	70.6	0	0	0	0	110.1	A133 D134 I135	T131-A133 PolarHBondContact O-N 3.37Å; T131-D134 PolarHBondContact O-N 3.4Å; T131-D134 PolarHBondContact OG1-N 3.15Å; T131-D134 PolarHBondContact OG1-OD2 2.95Å; T131-I135 WeakPolarHBondContact O-CG1 3.36Å; T131-I135 PolarHBondContact O-N 2.82Å
132	K	97	Very high	92.1	Very high	169 Å²	169	75.4 Å²	75.4	74%	0.735	39%	0.394	S	S	*	.	H	α-helix	trans	-54.9	-37.6	175.6	-67.1	-173.6	177.5	-175	0	112.4	I135 E136	K132-I135 PolarHBondContact O-N 3.21Å; K132-E136 WeakPolarHBondContact O-CB 3.35Å; K132-E136 VanDerWaalsContact O-CG 3.27Å; K132-E136 WeakPolarHBondContact O-CG 3.45Å; K132-E136 PolarHBondContact O-N 3.29Å
133	A	97.9	Very high	92.9	Very high	63 Å²	63	74.7 Å²	74.7	52%	0.521	39%	0.386	S	S	.	.	H	α-helix	trans	-64.9	-39.4	177	0	0	0	0	0	112.6	T131 D137	T131-A133 PolarHBondContact O-N 3.37Å; A133-D137 WeakPolarHBondContact O-CB 3.28Å; A133-D137 PolarHBondContact O-N 3.42Å
134	D	96.9	Very high	93.5	Very high	17 Å²	17	75.7 Å²	75.7	9%	0.091	39%	0.392	C	S	.	.	H	α-helix	trans	-68.5	-39.2	176.2	-62.8	-38.9	0	0	0	111.2	P130 T131 D137 C138 N169 A170 K172	P130-D134 HydrophobicContact CB-CB 4.37Å; T131-D134 PolarHBondContact O-N 3.4Å; T131-D134 PolarHBondContact OG1-N 3.15Å; T131-D134 PolarHBondContact OG1-OD2 2.95Å; D134-D137 PolarHBondContact O-N 3.35Å; D134-C138 VanDerWaalsContact O-CB 3.3Å; D134-C138 WeakPolarHBondContact O-CB 2.99Å; D134-C138 PolarHBondContact O-N 3Å; D134-N169 PolarHBondContact OD2-ND2 3.46Å; D134-A170 HydrophobicContact CB-CB 4.43Å; D134-K172 WeakPolarHBondContact OD1-CD 3.08Å; D134-K172 IonicContact OD1-NZ 3.86Å; D134-K172 PolarHBondContact OD1-NZ 3.29Å; D134-K172 IonicContact OD2-NZ 2.76Å
135	I	96.9	Very high	94	Very high	45 Å²	45	80.4 Å²	80.4	23%	0.231	41%	0.414	C	S	.	.	H	α-helix	trans	-62.7	-48.7	174.7	-61.8	173.2	0	0	0	110.2	P130 T131 K132 D137 C138 L139 C148	P130-I135 HydrophobicContact CB-CD1 4.35Å; P130-I135 HydrophobicContact CB-CG1 3.88Å; P130-I135 HydrophobicContact CG-CG1 4.41Å; T131-I135 WeakPolarHBondContact O-CG1 3.36Å; T131-I135 PolarHBondContact O-N 2.82Å; K132-I135 PolarHBondContact O-N 3.21Å; I135-D137 PolarHBondContact O-N 2.89Å; I135-C138 WeakPolarHBondContact O-CB 3.32Å; I135-C138 PolarHBondContact O-N 2.96Å; I135-L139 HydrophobicContact CG2-CD1 3.94Å; I135-L139 HydrophobicContact CG2-CG 4.36Å; I135-L139 VanDerWaalsContact O-CG 3.32Å; I135-L139 WeakPolarHBondContact O-CG 3.33Å; I135-L139 PolarHBondContact O-N 3.31Å; I135-C148 HydrophobicContact CG2-CB 4.38Å
136	E	97.9	Very high	94.3	Very high	123 Å²	123	79.6 Å²	79.6	58%	0.575	42%	0.419	S	S	*	.	H	α-helix	trans	-60	-45.2	178.1	-75.1	169.9	-166.6	0	0	111.5	K132 C138 L139 M140	K132-E136 WeakPolarHBondContact O-CB 3.35Å; K132-E136 VanDerWaalsContact O-CG 3.27Å; K132-E136 WeakPolarHBondContact O-CG 3.45Å; K132-E136 PolarHBondContact O-N 3.29Å; E136-C138 PolarHBondContact O-N 3.1Å; E136-L139 PolarHBondContact O-N 3.08Å; E136-M140 WeakPolarHBondContact O-CB 3.28Å; E136-M140 WeakPolarHBondContact O-CG 3.41Å; E136-M140 PolarHBondContact O-N 3.07Å
137	D	97.5	Very high	94.5	Very high	73 Å²	73	80.8 Å²	80.8	39%	0.39	43%	0.426	S	S	.	.	H	α-helix	trans	-61.8	-41.4	176	-179.4	54.5	0	0	0	112.1	A133 D134 I135 M140 K141	A133-D137 WeakPolarHBondContact O-CB 3.28Å; A133-D137 PolarHBondContact O-N 3.42Å; D134-D137 PolarHBondContact O-N 3.35Å; I135-D137 PolarHBondContact O-N 2.89Å; D137-M140 PolarHBondContact O-N 2.77Å; D137-K141 VanDerWaalsContact O-CG 3.31Å; D137-K141 WeakPolarHBondContact O-CG 3.47Å; D137-K141 PolarHBondContact O-N 2.61Å; D137-K141 WeakPolarHBondContact OD1-CE 3.33Å; D137-K141 IonicContact OD1-NZ 3.37Å; D137-K141 WeakPolarHBondContact OD2-CE 3.37Å; D137-K141 IonicContact OD2-NZ 3.13Å; D137-K141 PolarHBondContact OD2-NZ 3.13Å
138	C	97	Very high	94.8	Very high	0 Å²	0	73.5 Å²	73.5	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-61.5	-47	175.3	176	0	0	0	0	112.4	D134 I135 E136 K141 K143 C148 A170	D134-C138 VanDerWaalsContact O-CB 3.3Å; D134-C138 WeakPolarHBondContact O-CB 2.99Å; D134-C138 PolarHBondContact O-N 3Å; I135-C138 WeakPolarHBondContact O-CB 3.32Å; I135-C138 PolarHBondContact O-N 2.96Å; E136-C138 PolarHBondContact O-N 3.1Å; C138-K141 WeakPolarHBondContact O-CB 3.45Å; C138-K141 PolarHBondContact O-N 3.22Å; C138-K141 VanDerWaalsContact O-N 3.16Å; C138-K143 PolarHBondContact O-N 2.97Å; C138-C148 VanDerWaalsContact C-SG 3.54Å; C138-C148 HydrophobicContact CB-CB 3.76Å; C138-C148 WeakPolarHBondContact CB-SG 3.47Å; C138-C148 WeakPolarHBondContact SG-CA 3.05Å; C138-C148 WeakPolarHBondContact SG-CB 3.03Å; C138-C148 CovalentContact SG-SG 2.04Å; C138-C148 PolarHBondContact SG-SG 3.29Å; C138-A170 HydrophobicContact CB-CB 4.01Å; C138-A170 WeakPolarHBondContact CB-O 3.43Å
139	L	97.6	Very high	94.9	Very high	72 Å²	72	75.1 Å²	75.1	38%	0.377	40%	0.402	S	S	.	.	H	α-helix	trans	-64.4	-40.4	177.1	-69.9	173.5	0	0	0	111.5	I135 E136 K141 G142 E145	I135-L139 HydrophobicContact CG2-CD1 3.94Å; I135-L139 HydrophobicContact CG2-CG 4.36Å; I135-L139 VanDerWaalsContact O-CG 3.32Å; I135-L139 WeakPolarHBondContact O-CG 3.33Å; I135-L139 PolarHBondContact O-N 3.31Å; E136-L139 PolarHBondContact O-N 3.08Å; L139-K141 PolarHBondContact O-N 3.1Å; L139-G142 WeakPolarHBondContact O-CA 3.38Å; L139-G142 PolarHBondContact O-N 2.98Å; L139-E145 HydrophobicContact CD2-CB 4.26Å
140	M	97.2	Very high	94.9	Very high	165 Å²	165	68.8 Å²	68.8	81%	0.813	37%	0.37	S	S	*	.	H	α-helix	trans	-64.2	-25.7	175.8	-72.3	-64.8	-63.4	0	0	112.7	E136 D137 G142	E136-M140 WeakPolarHBondContact O-CB 3.28Å; E136-M140 WeakPolarHBondContact O-CG 3.41Å; E136-M140 PolarHBondContact O-N 3.07Å; D137-M140 PolarHBondContact O-N 2.77Å; M140-G142 PolarHBondContact O-N 3.16Å
141	K	95.6	Very high	94.7	Very high	103 Å²	103	69.3 Å²	69.3	45%	0.448	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	3.3	171.2	-71	166.1	178.4	166	0	113.7	D137 C138 L139 F224	D137-K141 VanDerWaalsContact O-CG 3.31Å; D137-K141 WeakPolarHBondContact O-CG 3.47Å; D137-K141 PolarHBondContact O-N 2.61Å; D137-K141 WeakPolarHBondContact OD1-CE 3.33Å; D137-K141 IonicContact OD1-NZ 3.37Å; D137-K141 WeakPolarHBondContact OD2-CE 3.37Å; D137-K141 IonicContact OD2-NZ 3.13Å; D137-K141 PolarHBondContact OD2-NZ 3.13Å; C138-K141 WeakPolarHBondContact O-CB 3.45Å; C138-K141 PolarHBondContact O-N 3.22Å; C138-K141 VanDerWaalsContact O-N 3.16Å; L139-K141 PolarHBondContact O-N 3.1Å; K141-F224 HydrophobicContact CB-CE2 4.33Å; K141-F224 HydrophobicContact CB-CZ 3.92Å; K141-F224 HydrophobicContact CD-CD2 4.46Å; K141-F224 HydrophobicContact CD-CE2 3.88Å; K141-F224 HydrophobicContact CD-CZ 4.25Å
142	G	95.5	Very high	94.3	Very high	65 Å²	65	65.8 Å²	65.8	67%	0.67	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.1	18.1	173.3	0	0	0	0	0	115	L139 M140	L139-G142 WeakPolarHBondContact O-CA 3.38Å; L139-G142 PolarHBondContact O-N 2.98Å; M140-G142 PolarHBondContact O-N 3.16Å
143	K	95	Very high	93.8	Very high	49 Å²	49	59.6 Å²	59.6	21%	0.213	32%	0.321	C	S	.	.			trans	-82.7	159.4	172.6	-66.7	-67.5	-177.6	164.1	0	111	C138 D147 F171 D200 F224	C138-K143 PolarHBondContact O-N 2.97Å; K143-D147 HydrophobicContact CB-CB 4.47Å; K143-F171 HydrophobicContact CB-CE2 4.29Å; K143-F171 HydrophobicContact CD-CD1 4.46Å; K143-F171 HydrophobicContact CD-CD2 4.41Å; K143-F171 HydrophobicContact CD-CE1 3.86Å; K143-F171 HydrophobicContact CD-CE2 3.8Å; K143-F171 HydrophobicContact CD-CZ 3.49Å; K143-F171 VanDerWaalsContact CD-CZ 3.49Å; K143-F171 HydrophobicContact CG-CD1 4.46Å; K143-F171 HydrophobicContact CG-CD2 4.01Å; K143-F171 HydrophobicContact CG-CE1 4.32Å; K143-F171 HydrophobicContact CG-CE2 3.83Å; K143-F171 HydrophobicContact CG-CG 4.33Å; K143-F171 HydrophobicContact CG-CZ 4.01Å; K143-D200 IonicContact NZ-OD2 3.6Å; K143-D200 PolarHBondContact NZ-OD2 2.81Å; K143-D200 VanDerWaalsContact NZ-OD2 3.13Å; K143-F224 HydrophobicContact CD-CZ 4.26Å; K143-F224 VanDerWaalsContact CE-CZ 3.43Å; K143-F224 HydrophobicContact CG-CE2 4.44Å; K143-F224 HydrophobicContact CG-CZ 3.86Å
144	Q	92.5	Very high	93.3	Very high	135 Å²	135	56.6 Å²	56.6	63%	0.631	30%	0.297	S	S	*	.			trans	-79.9	155.9	177.5	-59	-64.8	-9.3	0	0	110.6	A146 D147 C148	Q144-A146 PolarHBondContact O-N 3.02Å; Q144-D147 WeakPolarHBondContact CB-OD2 3.18Å; Q144-D147 PolarHBondContact N-OD2 2.76Å; Q144-D147 VanDerWaalsContact N-OD2 3.16Å; Q144-D147 PolarHBondContact O-N 3.33Å; Q144-C148 PolarHBondContact O-N 2.8Å; Q144-C148 VanDerWaalsContact O-N 3.08Å; Q144-C148 PolarHBondContact O-SG 3.23Å; Q144-C148 VanDerWaalsContact O-SG 3.33Å
145	E	90.4	Very high	92.9	Very high	141 Å²	141	56.1 Å²	56.1	66%	0.659	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-34.8	178.3	-172.5	172.8	-172.3	0	0	112.7	L139 C148 Q149	L139-E145 HydrophobicContact CD2-CB 4.26Å; E145-C148 PolarHBondContact O-N 3.04Å; E145-Q149 PolarHBondContact O-NE2 2.9Å; E145-Q149 VanDerWaalsContact O-NE2 3.09Å
146	A	88.6	Confident	92.4	Very high	62 Å²	62	54.2 Å²	54.2	51%	0.512	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-39.9	172.8	0	0	0	0	0	112	Q144 C148 Q149 Y151	Q144-A146 PolarHBondContact O-N 3.02Å; A146-C148 VanDerWaalsContact C-N 3.32Å; A146-C148 PolarHBondContact O-N 3.33Å; A146-Q149 VanDerWaalsContact O-CG 3.3Å; A146-Q149 WeakPolarHBondContact O-CG 3.45Å; A146-Y151 PolarHBondContact O-OH 3.21Å
147	D	89.9	Confident	91.7	Very high	32 Å²	32	51.5 Å²	51.5	17%	0.171	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-24	-178.9	-42.2	-43	0	0	0	112	K143 Q144 Q149 F171 H202	K143-D147 HydrophobicContact CB-CB 4.47Å; Q144-D147 WeakPolarHBondContact CB-OD2 3.18Å; Q144-D147 PolarHBondContact N-OD2 2.76Å; Q144-D147 VanDerWaalsContact N-OD2 3.16Å; Q144-D147 PolarHBondContact O-N 3.33Å; D147-Q149 PolarHBondContact O-N 2.03Å; D147-F171 HydrophobicContact CB-CE2 3.63Å; D147-F171 HydrophobicContact CB-CZ 4.26Å; D147-H202 IonicContact OD1-NE2 3.12Å
148	C	94.3	Very high	91.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.255	C	S	.	.	S	Bend	trans	-81.1	36.4	-178.7	-63.3	0	0	0	0	113.8	I135 C138 Q144 E145 A146 A170	I135-C148 HydrophobicContact CG2-CB 4.38Å; C138-C148 VanDerWaalsContact C-SG 3.54Å; C138-C148 HydrophobicContact CB-CB 3.76Å; C138-C148 WeakPolarHBondContact CB-SG 3.47Å; C138-C148 WeakPolarHBondContact SG-CA 3.05Å; C138-C148 WeakPolarHBondContact SG-CB 3.03Å; C138-C148 CovalentContact SG-SG 2.04Å; C138-C148 PolarHBondContact SG-SG 3.29Å; Q144-C148 PolarHBondContact O-N 2.8Å; Q144-C148 VanDerWaalsContact O-N 3.08Å; Q144-C148 PolarHBondContact O-SG 3.23Å; Q144-C148 VanDerWaalsContact O-SG 3.33Å; E145-C148 PolarHBondContact O-N 3.04Å; A146-C148 VanDerWaalsContact C-N 3.32Å; A146-C148 PolarHBondContact O-N 3.33Å; C148-A170 HydrophobicContact CB-CB 4.28Å; C148-A170 WeakPolarHBondContact O-CB 3.05Å
149	Q	92.4	Very high	90.5	Very high	40 Å²	40	54.6 Å²	54.6	19%	0.187	29%	0.287	C	S	.	.	S	Bend	trans	-110.5	172.6	175.6	-54.6	-61.4	-38	0	0	111.3	S109 N110 E145 A146 D147 Y151 T168 A170	S109-Q149 VanDerWaalsContact CB-CB 3.42Å; S109-Q149 WeakPolarHBondContact OG-CB 3.4Å; S109-Q149 WeakPolarHBondContact OG-CG 3.49Å; N110-Q149 PolarHBondContact ND2-OE1 2.64Å; E145-Q149 PolarHBondContact O-NE2 2.9Å; E145-Q149 VanDerWaalsContact O-NE2 3.09Å; A146-Q149 VanDerWaalsContact O-CG 3.3Å; A146-Q149 WeakPolarHBondContact O-CG 3.45Å; D147-Q149 PolarHBondContact O-N 2.03Å; Q149-Y151 HydrophobicContact CB-CD2 4.41Å; Q149-Y151 HydrophobicContact CB-CE2 3.95Å; Q149-Y151 PolarHBondContact O-N 2.84Å; Q149-T168 PolarHBondContact O-OG1 3.26Å; Q149-A170 PolarHBondContact O-N 3.17Å
150	N	92.3	Very high	89.9	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.29	C	S	.	.			trans	-92.6	95.7	173.1	-171.4	19	0	0	0	111.3	S109 N110 W128 P130 I152 G167 T168 N169	S109-N150 CarbonylContact C-O 3.46Å; N110-N150 PolarHBondContact N-O 2.89Å; N110-N150 WeakPolarHBondContact OD1-CA 3.31Å; N110-N150 WeakPolarHBondContact OD1-CB 3.37Å; N110-N150 PolarHBondContact OD1-N 3.33Å; W128-N150 WeakPolarHBondContact O-CB 3.31Å; W128-N150 PolarHBondContact O-ND2 2.95Å; P130-N150 HydrophobicContact CG-CB 3.88Å; N150-I152 WeakPolarHBondContact ND2-CD1 3.25Å; N150-I152 PolarHBondContact O-N 3.14Å; N150-G167 VanDerWaalsContact OD1-CA 3.24Å; N150-G167 WeakPolarHBondContact OD1-CA 3.46Å; N150-T168 PolarHBondContact OD1-N 3.48Å; N150-N169 HydrophobicContact CB-CB 4.42Å; N150-N169 WeakPolarHBondContact OD1-CA 3.21Å; N150-N169 PolarHBondContact OD1-N 3.49Å
151	Y	89.3	Confident	89.2	Confident	23 Å²	23	49.1 Å²	49.1	9%	0.09	27%	0.269	C	S	.	.			trans	-83.7	110.7	172.9	-65.6	-86.5	0	0	0	109.1	N106 A146 Q149 R153 G167 T168 S201	N106-Y151 HydrophobicContact CB-CD1 4.31Å; N106-Y151 HydrophobicContact CB-CE1 4.17Å; N106-Y151 WeakPolarHBondContact O-CE1 3.49Å; N106-Y151 WeakPolarHBondContact OD1-CD1 3.5Å; A146-Y151 PolarHBondContact O-OH 3.21Å; Q149-Y151 HydrophobicContact CB-CD2 4.41Å; Q149-Y151 HydrophobicContact CB-CE2 3.95Å; Q149-Y151 PolarHBondContact O-N 2.84Å; Y151-R153 WeakPolarHBondContact O-CG 3.43Å; Y151-R153 PolarHBondContact O-N 2.82Å; Y151-G167 CarbonylContact O-C 3.55Å; Y151-G167 WeakPolarHBondContact O-CA 3.3Å; Y151-T168 WeakPolarHBondContact CB-OG1 3.19Å; Y151-T168 PolarHBondContact N-OG1 3.3Å; Y151-T168 PolarHBondContact O-N 3.4Å; Y151-S201 VanDerWaalsContact CD2-CB 3.44Å; Y151-S201 VanDerWaalsContact CG-CB 3.44Å
152	I	88.3	Confident	88.8	Confident	4 Å²	4	44.3 Å²	44.3	2%	0.021	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	125.8	176.8	-47.7	-58	0	0	0	108.4	L90 T104 W128 N150 I165 C166	L90-I152 HydrophobicContact CD1-CB 3.99Å; L90-I152 HydrophobicContact CD1-CG2 3.34Å; T104-I152 HydrophobicContact CG2-CB 3.75Å; T104-I152 HydrophobicContact CG2-CG1 4.27Å; T104-I152 HydrophobicContact CG2-CG2 4.08Å; W128-I152 HydrophobicContact CD2-CD1 4.47Å; W128-I152 HydrophobicContact CE3-CD1 3.64Å; W128-I152 HydrophobicContact CZ3-CD1 4.09Å; N150-I152 WeakPolarHBondContact ND2-CD1 3.25Å; N150-I152 PolarHBondContact O-N 3.14Å; I152-I165 HydrophobicContact CD1-CG2 4.27Å; I152-I165 HydrophobicContact CG2-CG2 3.59Å; I152-C166 WeakPolarHBondContact CA-O 3.44Å; I152-C166 WeakPolarHBondContact CG2-O 3.38Å
153	R	86.5	Confident	88.5	Confident	40 Å²	40	41.3 Å²	41.3	15%	0.151	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	-11.7	-172.2	-65.1	-67.9	-89.7	-178.4	-8.6	113.6	Y151 C166 T168 L197 S201 Q203	Y151-R153 WeakPolarHBondContact O-CG 3.43Å; Y151-R153 PolarHBondContact O-N 2.82Å; R153-C166 PolarHBondContact N-O 3.16Å; R153-T168 HydrophobicContact CG-CG2 4.2Å; R153-L197 HydrophobicContact CB-CD1 4.07Å; R153-L197 HydrophobicContact CB-CD2 3.55Å; R153-L197 HydrophobicContact CB-CG 4.41Å; R153-S201 PolarHBondContact NH2-O 2.85Å; R153-Q203 PolarHBondContact NH2-O 2.83Å
154	L	87.9	Confident	88.2	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	130.5	178.1	179.6	164.2	0	0	0	109.3	A156 L164 I165 C166 I196 L197 F207 L216	L154-A156 HydrophobicContact CD2-CB 4.34Å; L154-L164 HydrophobicContact CD2-CD2 3.75Å; L154-L164 HydrophobicContact CD2-CG 3.84Å; L154-I165 WeakPolarHBondContact O-CA 3.49Å; L154-C166 HydrophobicContact CB-CB 4.09Å; L154-C166 PolarHBondContact N-O 3.23Å; L154-C166 PolarHBondContact O-N 2.9Å; L154-I196 HydrophobicContact CD1-CG2 4.1Å; L154-L197 HydrophobicContact CB-CD2 3.82Å; L154-F207 HydrophobicContact CB-CD1 4.1Å; L154-F207 HydrophobicContact CB-CE1 3.89Å; L154-F207 HydrophobicContact CB-CZ 4.19Å; L154-F207 HydrophobicContact CD1-CB 4.12Å; L154-F207 HydrophobicContact CD1-CD1 4.03Å; L154-F207 HydrophobicContact CD1-CD2 3.86Å; L154-F207 HydrophobicContact CD1-CE1 4.46Å; L154-F207 HydrophobicContact CD1-CE2 4.31Å; L154-F207 HydrophobicContact CD1-CG 3.72Å; L154-F207 HydrophobicContact CG-CD1 3.94Å; L154-F207 HydrophobicContact CG-CD2 3.84Å; L154-F207 HydrophobicContact CG-CE1 3.87Å; L154-F207 HydrophobicContact CG-CE2 3.76Å; L154-F207 HydrophobicContact CG-CG 3.94Å; L154-F207 HydrophobicContact CG-CZ 3.79Å; L154-L216 HydrophobicContact CD1-CD1 3.87Å; L154-L216 HydrophobicContact CD1-CD2 3.9Å; L154-L216 HydrophobicContact CD1-CG 4.49Å
155	Y	88.5	Confident	88.1	Confident	7 Å²	7	32.7 Å²	32.7	3%	0.027	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	132.3	165.8	175.1	-88.7	0	0	0	108.2	N91 E101 A102 L112 K157 S163 L164 I165	N91-Y155 HydrophobicContact CB-CD1 3.61Å; N91-Y155 HydrophobicContact CB-CE1 4.28Å; E101-Y155 HydrophobicContact CB-CE1 4.09Å; A102-Y155 HydrophobicContact CB-CD1 3.39Å; A102-Y155 HydrophobicContact CB-CD2 3.67Å; A102-Y155 HydrophobicContact CB-CE1 3.87Å; A102-Y155 HydrophobicContact CB-CE2 4.15Å; A102-Y155 HydrophobicContact CB-CG 3.27Å; L112-Y155 HydrophobicContact CD2-CD2 3.72Å; L112-Y155 HydrophobicContact CD2-CE2 3.98Å; Y155-K157 HydrophobicContact CE1-CB 4.43Å; Y155-S163 PolarHBondContact OH-OG 3.45Å; Y155-L164 CarbonylContact C-O 3.58Å; Y155-L164 VanDerWaalsContact CA-O 3.3Å; Y155-L164 WeakPolarHBondContact CA-O 3.25Å; Y155-I165 HydrophobicContact CD2-CD1 4.5Å; Y155-I165 HydrophobicContact CD2-CG1 3.99Å; Y155-I165 HydrophobicContact CE2-CG1 4.41Å
156	A	86	Confident	88.2	Confident	4 Å²	4	26 Å²	26	3%	0.033	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	140.1	172.7	0	0	0	0	0	110.6	L154 S163 L164 Y209	L154-A156 HydrophobicContact CD2-CB 4.34Å; A156-S163 CarbonylContact O-C 3.59Å; A156-S163 WeakPolarHBondContact O-CA 3.19Å; A156-L164 HydrophobicContact CB-CB 4.4Å; A156-L164 PolarHBondContact N-O 3.22Å; A156-L164 PolarHBondContact O-N 2.92Å; A156-Y209 HydrophobicContact CB-CD1 3.43Å; A156-Y209 VanDerWaalsContact CB-CD1 3.43Å; A156-Y209 HydrophobicContact CB-CD2 4.48Å; A156-Y209 HydrophobicContact CB-CE1 4.08Å; A156-Y209 HydrophobicContact CB-CG 3.63Å
157	K	83.5	Confident	88.4	Confident	67 Å²	67	23 Å²	23	29%	0.291	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	135.8	177.5	-169.5	170.6	170.5	-167.5	0	109.5	E97 E101 Y155	E97-K157 IonicContact OE1-NZ 2.8Å; E97-K157 PolarHBondContact OE1-NZ 3.46Å; E97-K157 IonicContact OE2-NZ 2.71Å; E101-K157 VanDerWaalsContact CD-NZ 3.35Å; E101-K157 IonicContact OE1-NZ 3.17Å; E101-K157 PolarHBondContact OE1-NZ 3.31Å; E101-K157 WeakPolarHBondContact OE2-CD 3.47Å; E101-K157 IonicContact OE2-NZ 3.14Å; E101-K157 PolarHBondContact OE2-NZ 2.86Å; Y155-K157 HydrophobicContact CE1-CB 4.43Å
158	S	84.7	Confident	88.6	Confident	8 Å²	8	21.6 Å²	21.6	6%	0.056	12%	0.115	C	C	.	.			trans	-94.2	158.6	177.3	173.4	0	0	0	0	110.6	D160 G161 S162 H214	S158-D160 WeakPolarHBondContact CB-OD1 3.45Å; S158-D160 PolarHBondContact O-N 3Å; S158-D160 PolarHBondContact OG-OD1 2.7Å; S158-G161 PolarHBondContact O-N 3.27Å; S158-S162 WeakPolarHBondContact CB-O 3.48Å; S158-S162 VanDerWaalsContact CB-OG 3.3Å; S158-S162 WeakPolarHBondContact CB-OG 3.48Å; S158-S162 PolarHBondContact N-O 3.3Å; S158-H214 PolarHBondContact OG-CE1 3.09Å
159	I	84.9	Confident	88.6	Confident	130 Å²	130	21.7 Å²	21.7	67%	0.667	12%	0.115	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-32.5	178.7	-59.8	172.8	0	0	0	111.3	G161 A211 E212	I159-G161 PolarHBondContact O-N 3.16Å; I159-G161 VanDerWaalsContact O-N 3.15Å; I159-A211 HydrophobicContact CD1-CB 4.49Å; I159-A211 HydrophobicContact CG1-CB 3.94Å; I159-E212 HydrophobicContact CD1-CB 4.42Å; I159-E212 HydrophobicContact CD1-CG 4.02Å
160	D	85	Confident	88.8	Confident	84 Å²	84	19.9 Å²	19.9	45%	0.449	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	4.6	176	80	-38.6	0	0	0	113.9	S158 S162 R179	S158-D160 WeakPolarHBondContact CB-OD1 3.45Å; S158-D160 PolarHBondContact O-N 3Å; S158-D160 PolarHBondContact OG-OD1 2.7Å; D160-S162 PolarHBondContact O-N 3Å; D160-S162 WeakPolarHBondContact OD1-CB 3.47Å; D160-S162 PolarHBondContact OD1-N 3.2Å; D160-S162 VanDerWaalsContact OD1-N 3.12Å; D160-S162 PolarHBondContact OD1-OG 3.14Å; D160-S162 PolarHBondContact OD2-OG 3.11Å; D160-R179 IonicContact OD2-NH2 3.97Å; D160-R179 PolarHBondContact OD2-NH2 2.81Å
161	G	83.1	Confident	88.9	Confident	37 Å²	37	20.1 Å²	20.1	38%	0.381	11%	0.108	S	C	.	.	S	Bend	trans	78.5	0.6	-177.8	0	0	0	0	0	114.5	S158 I159	S158-G161 PolarHBondContact O-N 3.27Å; I159-G161 PolarHBondContact O-N 3.16Å; I159-G161 VanDerWaalsContact O-N 3.15Å
162	S	87	Confident	89.3	Confident	2 Å²	2	22.8 Å²	22.8	1%	0.014	12%	0.12	C	C	.	.			trans	-71.6	150.3	171.7	67.3	0	0	0	0	111.3	S158 D160 Y178	S158-S162 WeakPolarHBondContact CB-O 3.48Å; S158-S162 VanDerWaalsContact CB-OG 3.3Å; S158-S162 WeakPolarHBondContact CB-OG 3.48Å; S158-S162 PolarHBondContact N-O 3.3Å; D160-S162 PolarHBondContact O-N 3Å; D160-S162 WeakPolarHBondContact OD1-CB 3.47Å; D160-S162 PolarHBondContact OD1-N 3.2Å; D160-S162 VanDerWaalsContact OD1-N 3.12Å; D160-S162 PolarHBondContact OD1-OG 3.14Å; D160-S162 PolarHBondContact OD2-OG 3.11Å; S162-Y178 CarbonylContact C-O 3.54Å; S162-Y178 VanDerWaalsContact CA-O 3.24Å; S162-Y178 WeakPolarHBondContact CA-O 3.34Å; S162-Y178 WeakPolarHBondContact CB-O 3.44Å
163	S	88	Confident	89.6	Confident	2 Å²	2	22.6 Å²	22.6	1%	0.014	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	120.9	-179.5	-62.9	0	0	0	0	110.7	Y155 A156 Y178 F180	Y155-S163 PolarHBondContact OH-OG 3.45Å; A156-S163 CarbonylContact O-C 3.59Å; A156-S163 WeakPolarHBondContact O-CA 3.19Å; S163-Y178 PolarHBondContact N-O 3.21Å; S163-Y178 PolarHBondContact O-N 2.95Å; S163-F180 WeakPolarHBondContact OG-CE2 3.22Å
164	L	89.3	Confident	90.1	Very high	3 Å²	3	21.4 Å²	21.4	2%	0.016	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	121.7	171.6	177.8	66.7	0	0	0	109.1	L154 Y155 A156 C175 L177 Y191 Y209 L236	L154-L164 HydrophobicContact CD2-CD2 3.75Å; L154-L164 HydrophobicContact CD2-CG 3.84Å; Y155-L164 CarbonylContact C-O 3.58Å; Y155-L164 VanDerWaalsContact CA-O 3.3Å; Y155-L164 WeakPolarHBondContact CA-O 3.25Å; A156-L164 HydrophobicContact CB-CB 4.4Å; A156-L164 PolarHBondContact N-O 3.22Å; A156-L164 PolarHBondContact O-N 2.92Å; L164-C175 HydrophobicContact CD1-CB 4.19Å; L164-L177 HydrophobicContact CB-CD1 4.31Å; L164-Y191 HydrophobicContact CD1-CE1 4.36Å; L164-Y191 WeakPolarHBondContact CD1-OH 3.35Å; L164-Y209 HydrophobicContact CD2-CD2 4.41Å; L164-Y209 HydrophobicContact CD2-CE2 4.45Å; L164-L236 HydrophobicContact CD1-CD1 4.34Å; L164-L236 HydrophobicContact CD2-CD1 3.4Å; L164-L236 HydrophobicContact CG-CD1 4.47Å
165	I	91.2	Very high	90.4	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	127.5	178	-52.7	179.8	0	0	0	107.8	L112 V126 W128 I152 L154 Y155 C175 R176 Y178 F180	L112-I165 HydrophobicContact CD2-CD1 3.45Å; L112-I165 VanDerWaalsContact CD2-CD1 3.45Å; L112-I165 HydrophobicContact CD2-CG1 4.14Å; V126-I165 HydrophobicContact CG1-CD1 4.46Å; W128-I165 HydrophobicContact CE3-CG2 4.11Å; W128-I165 HydrophobicContact CZ3-CB 4.4Å; W128-I165 HydrophobicContact CZ3-CG2 3.98Å; W128-I165 WeakPolarHBondContact CZ3-O 3.43Å; I152-I165 HydrophobicContact CD1-CG2 4.27Å; I152-I165 HydrophobicContact CG2-CG2 3.59Å; L154-I165 WeakPolarHBondContact O-CA 3.49Å; Y155-I165 HydrophobicContact CD2-CD1 4.5Å; Y155-I165 HydrophobicContact CD2-CG1 3.99Å; Y155-I165 HydrophobicContact CE2-CG1 4.41Å; I165-C175 CarbonylContact O-C 3.5Å; I165-C175 WeakPolarHBondContact O-CA 3.33Å; I165-R176 PolarHBondContact N-O 2.94Å; I165-R176 PolarHBondContact O-N 3.47Å; I165-Y178 HydrophobicContact CB-CD2 4.12Å; I165-Y178 HydrophobicContact CB-CE2 4.01Å; I165-Y178 HydrophobicContact CD1-CD2 3.55Å; I165-Y178 HydrophobicContact CD1-CE2 3.73Å; I165-Y178 HydrophobicContact CD1-CG 4.22Å; I165-Y178 HydrophobicContact CG1-CD2 3.83Å; I165-Y178 HydrophobicContact CG1-CE2 4.12Å; I165-F180 HydrophobicContact CD1-CZ 4.3Å
166	C	92.4	Very high	90.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	145	176.4	-47.1	0	0	0	0	111.4	I152 R153 L154 L174 C175 L197	I152-C166 WeakPolarHBondContact CA-O 3.44Å; I152-C166 WeakPolarHBondContact CG2-O 3.38Å; R153-C166 PolarHBondContact N-O 3.16Å; L154-C166 HydrophobicContact CB-CB 4.09Å; L154-C166 PolarHBondContact N-O 3.23Å; L154-C166 PolarHBondContact O-N 2.9Å; C166-L174 CarbonylContact C-O 3.57Å; C166-L174 WeakPolarHBondContact CA-O 3.38Å; C166-L174 WeakPolarHBondContact CB-O 3.37Å; C166-C175 HydrophobicContact CB-CB 3.96Å; C166-C175 WeakPolarHBondContact CB-SG 3.46Å; C166-C175 VanDerWaalsContact SG-CA 3.54Å; C166-C175 WeakPolarHBondContact SG-CB 3.4Å; C166-C175 CovalentContact SG-SG 2.02Å; C166-C175 PolarHBondContact SG-SG 3.48Å; C166-L197 HydrophobicContact CB-CD1 3.22Å; C166-L197 HydrophobicContact CB-CG 3.94Å
167	G	92.6	Very high	90.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	168	176.8	0	0	0	0	0	113.9	N150 Y151 N169 P173 L174 L197	N150-G167 VanDerWaalsContact OD1-CA 3.24Å; N150-G167 WeakPolarHBondContact OD1-CA 3.46Å; Y151-G167 CarbonylContact O-C 3.55Å; Y151-G167 WeakPolarHBondContact O-CA 3.3Å; G167-N169 PolarHBondContact O-N 3.37Å; G167-P173 WeakPolarHBondContact O-CA 3.44Å; G167-L174 PolarHBondContact N-O 3.38Å; G167-L174 PolarHBondContact O-N 3.02Å; G167-L197 VanDerWaalsContact N-CD1 3.32Å
168	T	93.4	Very high	91.2	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.006	12%	0.119	C	C	.	.			trans	-66	-24.9	-176	60.8	0	0	0	0	113.1	Q149 N150 Y151 R153 A170 F171 K172	Q149-T168 PolarHBondContact O-OG1 3.26Å; N150-T168 PolarHBondContact OD1-N 3.48Å; Y151-T168 WeakPolarHBondContact CB-OG1 3.19Å; Y151-T168 PolarHBondContact N-OG1 3.3Å; Y151-T168 PolarHBondContact O-N 3.4Å; R153-T168 HydrophobicContact CG-CG2 4.2Å; T168-A170 PolarHBondContact O-N 3.16Å; T168-F171 PolarHBondContact O-N 3.47Å; T168-K172 CarbonylContact O-C 3.59Å; T168-K172 PolarHBondContact O-N 3.01Å
169	N	95.5	Very high	91.4	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.011	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	37.9	63.4	178.6	-177.1	78.4	0	0	0	113.2	P130 D134 N150 G167 K172 L174	P130-N169 VanDerWaalsContact CA-OD1 3.27Å; P130-N169 WeakPolarHBondContact CA-OD1 3.13Å; D134-N169 PolarHBondContact OD2-ND2 3.46Å; N150-N169 HydrophobicContact CB-CB 4.42Å; N150-N169 WeakPolarHBondContact OD1-CA 3.21Å; N150-N169 PolarHBondContact OD1-N 3.49Å; G167-N169 PolarHBondContact O-N 3.37Å; N169-K172 WeakPolarHBondContact CB-O 3.38Å; N169-K172 WeakPolarHBondContact O-CB 3.31Å; N169-K172 PolarHBondContact O-N 3.12Å; N169-L174 HydrophobicContact CB-CB 4.35Å; N169-L174 HydrophobicContact CB-CD1 4.23Å; N169-L174 HydrophobicContact CB-CG 4.24Å; N169-L174 VanDerWaalsContact ND2-CD1 3.33Å; N169-L174 WeakPolarHBondContact ND2-CD1 3.48Å
170	A	95.3	Very high	91.3	Very high	2 Å²	2	22 Å²	22	2%	0.017	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	57	-179.6	0	0	0	0	0	113.6	P130 D134 C138 C148 Q149 T168 K172	P130-A170 HydrophobicContact CB-CB 3.95Å; P130-A170 HydrophobicContact CG-CB 4.01Å; D134-A170 HydrophobicContact CB-CB 4.43Å; C138-A170 HydrophobicContact CB-CB 4.01Å; C138-A170 WeakPolarHBondContact CB-O 3.43Å; C148-A170 HydrophobicContact CB-CB 4.28Å; C148-A170 WeakPolarHBondContact O-CB 3.05Å; Q149-A170 PolarHBondContact O-N 3.17Å; T168-A170 PolarHBondContact O-N 3.16Å; A170-K172 PolarHBondContact O-N 3.16Å
171	F	95.3	Very high	91.2	Very high	5 Å²	5	23.6 Å²	23.6	2%	0.022	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	34.7	-176.3	-72.2	-103.7	0	0	0	113.7	K143 D147 T168 Y199 D200 F224	K143-F171 HydrophobicContact CB-CE2 4.29Å; K143-F171 HydrophobicContact CD-CD1 4.46Å; K143-F171 HydrophobicContact CD-CD2 4.41Å; K143-F171 HydrophobicContact CD-CE1 3.86Å; K143-F171 HydrophobicContact CD-CE2 3.8Å; K143-F171 HydrophobicContact CD-CZ 3.49Å; K143-F171 VanDerWaalsContact CD-CZ 3.49Å; K143-F171 HydrophobicContact CG-CD1 4.46Å; K143-F171 HydrophobicContact CG-CD2 4.01Å; K143-F171 HydrophobicContact CG-CE1 4.32Å; K143-F171 HydrophobicContact CG-CE2 3.83Å; K143-F171 HydrophobicContact CG-CG 4.33Å; K143-F171 HydrophobicContact CG-CZ 4.01Å; D147-F171 HydrophobicContact CB-CE2 3.63Å; D147-F171 HydrophobicContact CB-CZ 4.26Å; T168-F171 PolarHBondContact O-N 3.47Å; F171-Y199 HydrophobicContact CB-CD1 4.48Å; F171-Y199 WeakPolarHBondContact O-CD1 3.43Å; F171-D200 HydrophobicContact CE1-CB 3.62Å; F171-D200 HydrophobicContact CZ-CB 3.9Å; F171-D200 WeakPolarHBondContact CZ-OD2 3.45Å; F171-F224 HydrophobicContact CB-CD2 3.86Å; F171-F224 HydrophobicContact CB-CE2 3.52Å; F171-F224 AromaticContact CD1-CD2 3.64Å; F171-F224 HydrophobicContact CD1-CD2 3.64Å; F171-F224 AromaticContact CD1-CE2 3.34Å; F171-F224 HydrophobicContact CD1-CE2 3.34Å; F171-F224 HydrophobicContact CD1-CG 4.45Å; F171-F224 AromaticContact CD1-CZ 3.94Å; F171-F224 HydrophobicContact CD1-CZ 3.94Å; F171-F224 HydrophobicContact CE1-CE2 4.28Å; F171-F224 HydrophobicContact CE1-CZ 4.49Å; F171-F224 HydrophobicContact CG-CD2 4.14Å; F171-F224 AromaticContact CG-CE2 3.62Å; F171-F224 HydrophobicContact CG-CE2 3.62Å; F171-F224 HydrophobicContact CG-CZ 4.39Å
172	K	96.3	Very high	90.8	Very high	79 Å²	79	29.9 Å²	29.9	34%	0.343	14%	0.14	S	C	.	.	S	Bend	trans	-141.5	77.4	172.7	-174.7	-169.2	-178.5	-172.4	0	107.7	D134 T168 N169 A170 L174 F192	D134-K172 WeakPolarHBondContact OD1-CD 3.08Å; D134-K172 IonicContact OD1-NZ 3.86Å; D134-K172 PolarHBondContact OD1-NZ 3.29Å; D134-K172 IonicContact OD2-NZ 2.76Å; T168-K172 CarbonylContact O-C 3.59Å; T168-K172 PolarHBondContact O-N 3.01Å; N169-K172 WeakPolarHBondContact CB-O 3.38Å; N169-K172 WeakPolarHBondContact O-CB 3.31Å; N169-K172 PolarHBondContact O-N 3.12Å; A170-K172 PolarHBondContact O-N 3.16Å; K172-L174 WeakPolarHBondContact O-CG 3.12Å; K172-L174 PolarHBondContact O-N 3.01Å; K172-F192 HydrophobicContact CG-CD2 4.38Å; K172-F192 HydrophobicContact CG-CE2 3.95Å
173	P	95.8	Very high	90.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.177	C	C	.	.			trans	-57.5	129.2	-169.6	22.4	-33.2	0	0	0	111.5	G167 F192 A193 L197 Y199	G167-P173 WeakPolarHBondContact O-CA 3.44Å; P173-F192 HydrophobicContact CG-CE2 4.35Å; P173-F192 VanDerWaalsContact O-CD2 3.23Å; P173-F192 WeakPolarHBondContact O-CD2 3.5Å; P173-A193 HydrophobicContact CB-CB 4.32Å; P173-A193 PolarHBondContact O-N 3.04Å; P173-L197 HydrophobicContact CB-CB 4.14Å; P173-Y199 VanDerWaalsContact CD-CE1 3.46Å; P173-Y199 HydrophobicContact CG-CD1 4.3Å; P173-Y199 HydrophobicContact CG-CD2 3.9Å; P173-Y199 HydrophobicContact CG-CE1 4.14Å; P173-Y199 HydrophobicContact CG-CE2 3.72Å; P173-Y199 HydrophobicContact CG-CG 4.17Å
174	L	95.9	Very high	89.7	Confident	15 Å²	15	41.1 Å²	41.1	8%	0.079	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	151.1	-179.3	-69.4	-178.9	0	0	0	110.6	W128 C166 G167 N169 K172 F192	W128-L174 HydrophobicContact CH2-CB 3.99Å; W128-L174 WeakPolarHBondContact CH2-O 3.48Å; W128-L174 HydrophobicContact CZ2-CB 3.68Å; W128-L174 HydrophobicContact CZ2-CD1 4.35Å; C166-L174 CarbonylContact C-O 3.57Å; C166-L174 WeakPolarHBondContact CA-O 3.38Å; C166-L174 WeakPolarHBondContact CB-O 3.37Å; G167-L174 PolarHBondContact N-O 3.38Å; G167-L174 PolarHBondContact O-N 3.02Å; N169-L174 HydrophobicContact CB-CB 4.35Å; N169-L174 HydrophobicContact CB-CD1 4.23Å; N169-L174 HydrophobicContact CB-CG 4.24Å; N169-L174 VanDerWaalsContact ND2-CD1 3.33Å; N169-L174 WeakPolarHBondContact ND2-CD1 3.48Å; K172-L174 WeakPolarHBondContact O-CG 3.12Å; K172-L174 PolarHBondContact O-N 3.01Å; L174-F192 HydrophobicContact CD2-CD2 4.26Å
175	C	94.2	Very high	89.4	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	140.8	169.9	-77.3	0	0	0	0	110.3	L164 I165 C166 E190 Y191 A193	L164-C175 HydrophobicContact CD1-CB 4.19Å; I165-C175 CarbonylContact O-C 3.5Å; I165-C175 WeakPolarHBondContact O-CA 3.33Å; C166-C175 HydrophobicContact CB-CB 3.96Å; C166-C175 WeakPolarHBondContact CB-SG 3.46Å; C166-C175 VanDerWaalsContact SG-CA 3.54Å; C166-C175 WeakPolarHBondContact SG-CB 3.4Å; C166-C175 CovalentContact SG-SG 2.02Å; C166-C175 PolarHBondContact SG-SG 3.48Å; C175-E190 VanDerWaalsContact O-CA 3.3Å; C175-E190 WeakPolarHBondContact O-CA 3.38Å; C175-Y191 HydrophobicContact CB-CD1 4.05Å; C175-Y191 HydrophobicContact CB-CD2 4.13Å; C175-Y191 HydrophobicContact CB-CE1 3.49Å; C175-Y191 VanDerWaalsContact CB-CE1 3.49Å; C175-Y191 HydrophobicContact CB-CE2 3.57Å; C175-Y191 HydrophobicContact CB-CG 4.35Å; C175-Y191 WeakPolarHBondContact CB-OH 3.1Å; C175-Y191 PolarHBondContact N-O 3.35Å; C175-Y191 PolarHBondContact O-N 3.4Å; C175-A193 HydrophobicContact CB-CB 4.15Å; C175-A193 WeakPolarHBondContact SG-CB 3.3Å
176	R	93.2	Very high	89.3	Confident	50 Å²	50	51 Å²	51	19%	0.189	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	134.2	173.5	-75.6	179	178.4	175.2	2.7	110.7	W128 I165 Y178 V187 K189 E190	W128-R176 VanDerWaalsContact CE2-CZ 3.47Å; W128-R176 HydrophobicContact CH2-CB 4.2Å; W128-R176 HydrophobicContact CH2-CG 3.85Å; W128-R176 HydrophobicContact CZ2-CG 3.78Å; W128-R176 HydrophobicContact CZ3-CB 4.41Å; W128-R176 HydrophobicContact CZ3-CG 4.42Å; I165-R176 PolarHBondContact N-O 2.94Å; I165-R176 PolarHBondContact O-N 3.47Å; R176-Y178 HydrophobicContact CB-CD2 3.88Å; R176-Y178 HydrophobicContact CB-CE2 3.32Å; R176-Y178 VanDerWaalsContact CD-OH 3.24Å; R176-Y178 WeakPolarHBondContact CD-OH 3.3Å; R176-Y178 HydrophobicContact CG-CE2 4.26Å; R176-Y178 PolarHBondContact NH1-OH 3.47Å; R176-V187 HydrophobicContact CB-CG1 4.31Å; R176-V187 HydrophobicContact CG-CG1 4.08Å; R176-K189 CarbonylContact C-O 3.55Å; R176-K189 VanDerWaalsContact CA-O 3.25Å; R176-K189 WeakPolarHBondContact CA-O 3.43Å; R176-E190 HydrophobicContact CG-CB 4.12Å; R176-E190 HydrophobicContact CG-CG 3.96Å; R176-E190 IonicContact CZ-OE2 3.85Å; R176-E190 IonicContact NE-OE2 3.77Å; R176-E190 PolarHBondContact NE-OE2 2.98Å; R176-E190 IonicContact NH2-OE2 2.68Å; R176-E190 PolarHBondContact NH2-OE2 3.01Å
177	L	90.8	Very high	89.3	Confident	42 Å²	42	53.9 Å²	53.9	22%	0.22	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	121.7	168.1	-171.6	68.8	0	0	0	108.8	L164 L188 K189	L164-L177 HydrophobicContact CB-CD1 4.31Å; L177-L188 HydrophobicContact CB-CB 4.39Å; L177-L188 HydrophobicContact CD2-CB 4.32Å; L177-L188 HydrophobicContact CD2-CD1 4.05Å; L177-L188 HydrophobicContact CG-CB 4.44Å; L177-L188 HydrophobicContact CG-CD1 4.26Å; L177-L188 WeakPolarHBondContact O-CB 3.35Å; L177-L188 PolarHBondContact O-N 2.96Å; L177-K189 HydrophobicContact CB-CB 4.2Å; L177-K189 PolarHBondContact N-O 2.94Å
178	Y	90.5	Very high	89.2	Confident	2 Å²	2	57 Å²	57	1%	0.008	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	147.5	-179.2	-74.6	-94.8	0	0	0	111.3	V126 S162 S163 I165 R176 F180 D185 K186 V187	V126-Y178 HydrophobicContact CG1-CE1 3.95Å; S162-Y178 CarbonylContact C-O 3.54Å; S162-Y178 VanDerWaalsContact CA-O 3.24Å; S162-Y178 WeakPolarHBondContact CA-O 3.34Å; S162-Y178 WeakPolarHBondContact CB-O 3.44Å; S163-Y178 PolarHBondContact N-O 3.21Å; S163-Y178 PolarHBondContact O-N 2.95Å; I165-Y178 HydrophobicContact CB-CD2 4.12Å; I165-Y178 HydrophobicContact CB-CE2 4.01Å; I165-Y178 HydrophobicContact CD1-CD2 3.55Å; I165-Y178 HydrophobicContact CD1-CE2 3.73Å; I165-Y178 HydrophobicContact CD1-CG 4.22Å; I165-Y178 HydrophobicContact CG1-CD2 3.83Å; I165-Y178 HydrophobicContact CG1-CE2 4.12Å; R176-Y178 HydrophobicContact CB-CD2 3.88Å; R176-Y178 HydrophobicContact CB-CE2 3.32Å; R176-Y178 VanDerWaalsContact CD-OH 3.24Å; R176-Y178 WeakPolarHBondContact CD-OH 3.3Å; R176-Y178 HydrophobicContact CG-CE2 4.26Å; R176-Y178 PolarHBondContact NH1-OH 3.47Å; Y178-F180 HydrophobicContact CD1-CE1 4.06Å; Y178-F180 HydrophobicContact CD1-CZ 4.44Å; Y178-F180 HydrophobicContact CG-CE1 4.23Å; Y178-F180 HydrophobicContact CG-CZ 4.18Å; Y178-D185 HydrophobicContact CD1-CB 3.98Å; Y178-D185 HydrophobicContact CE1-CB 4.21Å; Y178-K186 CarbonylContact C-O 3.6Å; Y178-K186 WeakPolarHBondContact CA-O 3.41Å; Y178-V187 HydrophobicContact CD1-CG2 4.08Å; Y178-V187 HydrophobicContact CE1-CG2 3.55Å
179	R	89.5	Confident	89.1	Confident	80 Å²	80	60.3 Å²	60.3	30%	0.302	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	127.3	160	-176	163.6	-66.8	134.8	-0.5	108.9	D160 E181 K186 L188	D160-R179 IonicContact OD2-NH2 3.97Å; D160-R179 PolarHBondContact OD2-NH2 2.81Å; R179-E181 WeakPolarHBondContact CD-OE1 3.21Å; R179-E181 HydrophobicContact CG-CG 4.09Å; R179-K186 PolarHBondContact N-O 3.01Å; R179-K186 PolarHBondContact O-N 2.78Å; R179-L188 HydrophobicContact CB-CD1 3.96Å; R179-L188 HydrophobicContact CB-CD2 4.23Å; R179-L188 HydrophobicContact CB-CG 4.14Å
180	F	83.6	Confident	89	Confident	56 Å²	56	64.9 Å²	64.9	25%	0.246	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	109.7	-179.3	-57	-57.6	0	0	0	108.9	V126 S163 I165 Y178 D185	V126-F180 HydrophobicContact CG2-CE1 3.72Å; V126-F180 HydrophobicContact CG2-CZ 3.84Å; S163-F180 WeakPolarHBondContact OG-CE2 3.22Å; I165-F180 HydrophobicContact CD1-CZ 4.3Å; Y178-F180 HydrophobicContact CD1-CE1 4.06Å; Y178-F180 HydrophobicContact CD1-CZ 4.44Å; Y178-F180 HydrophobicContact CG-CE1 4.23Å; Y178-F180 HydrophobicContact CG-CZ 4.18Å; F180-D185 HydrophobicContact CD1-CB 3.79Å; F180-D185 HydrophobicContact CE1-CB 3.65Å
181	E	81.8	Confident	88.9	Confident	116 Å²	116	67 Å²	67	54%	0.542	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	128.5	-179.9	-79.8	173.2	-166.6	0	0	108.8	R179 G183 K184	R179-E181 WeakPolarHBondContact CD-OE1 3.21Å; R179-E181 HydrophobicContact CG-CG 4.09Å; E181-G183 PolarHBondContact O-N 2.95Å; E181-G183 VanDerWaalsContact O-N 3.17Å; E181-K184 PolarHBondContact N-O 3.27Å; E181-K184 VanDerWaalsContact N-O 3.12Å; E181-K184 PolarHBondContact O-N 3.47Å
182	N	75.3	Confident	88.8	Confident	170 Å²	170	72 Å²	72	91%	0.909	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	39.2	176.3	-59.1	-33.2	0	0	0	114.1	K184	N182-K184 PolarHBondContact O-N 3.03Å
183	G	73.4	Confident	88.6	Confident	76 Å²	76	68.2 Å²	68.2	78%	0.784	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	6.8	-179.2	0	0	0	0	0	115.1	E181	E181-G183 PolarHBondContact O-N 2.95Å; E181-G183 VanDerWaalsContact O-N 3.17Å
184	K	77.4	Confident	88.4	Confident	163 Å²	163	69.9 Å²	69.9	71%	0.709	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.2	140.9	172.5	-65.7	-174.7	179.8	-179.6	0	110.7	E181 N182	E181-K184 PolarHBondContact N-O 3.27Å; E181-K184 VanDerWaalsContact N-O 3.12Å; E181-K184 PolarHBondContact O-N 3.47Å; N182-K184 PolarHBondContact O-N 3.03Å
185	D	84	Confident	88.3	Confident	75 Å²	75	69.2 Å²	69.2	40%	0.401	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	111.1	174.7	61	-42.9	0	0	0	110.6	Y178 F180	Y178-D185 HydrophobicContact CD1-CB 3.98Å; Y178-D185 HydrophobicContact CE1-CB 4.21Å; F180-D185 HydrophobicContact CD1-CB 3.79Å; F180-D185 HydrophobicContact CE1-CB 3.65Å
186	K	89.9	Confident	88.3	Confident	138 Å²	138	69.6 Å²	69.6	60%	0.6	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.7	119.3	175.7	-175	179.6	177.4	-178.6	0	109.9	Y178 R179 L188	Y178-K186 CarbonylContact C-O 3.6Å; Y178-K186 WeakPolarHBondContact CA-O 3.41Å; R179-K186 PolarHBondContact N-O 3.01Å; R179-K186 PolarHBondContact O-N 2.78Å; K186-L188 HydrophobicContact CD-CD2 4.21Å; K186-L188 HydrophobicContact CG-CD2 4.31Å; K186-L188 PolarHBondContact O-N 3.46Å
187	V	92.2	Very high	88.2	Confident	60 Å²	60	67.3 Å²	67.3	36%	0.364	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	116.5	170.4	-176.7	0	0	0	0	108.9	R176 Y178	R176-V187 HydrophobicContact CB-CG1 4.31Å; R176-V187 HydrophobicContact CG-CG1 4.08Å; Y178-V187 HydrophobicContact CD1-CG2 4.08Å; Y178-V187 HydrophobicContact CE1-CG2 3.55Å
188	L	90.8	Very high	88.3	Confident	65 Å²	65	65.3 Å²	65.3	34%	0.34	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	-38.5	178.3	-60	-177.7	0	0	0	112.4	L177 R179 K186	L177-L188 HydrophobicContact CB-CB 4.39Å; L177-L188 HydrophobicContact CD2-CB 4.32Å; L177-L188 HydrophobicContact CD2-CD1 4.05Å; L177-L188 HydrophobicContact CG-CB 4.44Å; L177-L188 HydrophobicContact CG-CD1 4.26Å; L177-L188 WeakPolarHBondContact O-CB 3.35Å; L177-L188 PolarHBondContact O-N 2.96Å; R179-L188 HydrophobicContact CB-CD1 3.96Å; R179-L188 HydrophobicContact CB-CD2 4.23Å; R179-L188 HydrophobicContact CB-CG 4.14Å; K186-L188 HydrophobicContact CD-CD2 4.21Å; K186-L188 HydrophobicContact CG-CD2 4.31Å; K186-L188 PolarHBondContact O-N 3.46Å
189	K	91.2	Very high	88.5	Confident	70 Å²	70	66.6 Å²	66.6	30%	0.304	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	140.1	-177	-173.6	178.4	174.6	177.9	0	108.9	R176 L177 Y191 L236	R176-K189 CarbonylContact C-O 3.55Å; R176-K189 VanDerWaalsContact CA-O 3.25Å; R176-K189 WeakPolarHBondContact CA-O 3.43Å; L177-K189 HydrophobicContact CB-CB 4.2Å; L177-K189 PolarHBondContact N-O 2.94Å; K189-Y191 HydrophobicContact CD-CD1 4.25Å; K189-Y191 HydrophobicContact CG-CD1 4.15Å; K189-L236 PolarHBondContact NZ-O 2.74Å
190	E	93.3	Very high	88.6	Confident	99 Å²	99	63.9 Å²	63.9	46%	0.463	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	136.1	168.4	-176.9	180	94.4	0	0	108.3	C175 R176	C175-E190 VanDerWaalsContact O-CA 3.3Å; C175-E190 WeakPolarHBondContact O-CA 3.38Å; R176-E190 HydrophobicContact CG-CB 4.12Å; R176-E190 HydrophobicContact CG-CG 3.96Å; R176-E190 IonicContact CZ-OE2 3.85Å; R176-E190 IonicContact NE-OE2 3.77Å; R176-E190 PolarHBondContact NE-OE2 2.98Å; R176-E190 IonicContact NH2-OE2 2.68Å; R176-E190 PolarHBondContact NH2-OE2 3.01Å
191	Y	92.6	Very high	88.9	Confident	45 Å²	45	61.7 Å²	61.7	18%	0.176	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	156.1	178.5	61.4	-83.6	0	0	0	112.1	L164 C175 K189 I196 L236	L164-Y191 HydrophobicContact CD1-CE1 4.36Å; L164-Y191 WeakPolarHBondContact CD1-OH 3.35Å; C175-Y191 HydrophobicContact CB-CD1 4.05Å; C175-Y191 HydrophobicContact CB-CD2 4.13Å; C175-Y191 HydrophobicContact CB-CE1 3.49Å; C175-Y191 VanDerWaalsContact CB-CE1 3.49Å; C175-Y191 HydrophobicContact CB-CE2 3.57Å; C175-Y191 HydrophobicContact CB-CG 4.35Å; C175-Y191 WeakPolarHBondContact CB-OH 3.1Å; C175-Y191 PolarHBondContact N-O 3.35Å; C175-Y191 PolarHBondContact O-N 3.4Å; K189-Y191 HydrophobicContact CD-CD1 4.25Å; K189-Y191 HydrophobicContact CG-CD1 4.15Å; Y191-I196 HydrophobicContact CE2-CD1 3.78Å; Y191-L236 HydrophobicContact CE2-CD2 4.3Å; Y191-L236 VanDerWaalsContact OH-CD2 3.24Å; Y191-L236 WeakPolarHBondContact OH-CD2 3.41Å
192	F	93	Very high	89.2	Confident	111 Å²	111	61.3 Å²	61.3	49%	0.487	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	130.4	175.8	-172.8	-122.9	0	0	0	110.8	K172 P173 L174 A194 Y199	K172-F192 HydrophobicContact CG-CD2 4.38Å; K172-F192 HydrophobicContact CG-CE2 3.95Å; P173-F192 HydrophobicContact CG-CE2 4.35Å; P173-F192 VanDerWaalsContact O-CD2 3.23Å; P173-F192 WeakPolarHBondContact O-CD2 3.5Å; L174-F192 HydrophobicContact CD2-CD2 4.26Å; F192-A194 HydrophobicContact CD1-CB 3.98Å; F192-A194 HydrophobicContact CE1-CB 3.46Å; F192-A194 VanDerWaalsContact CE1-CB 3.46Å; F192-A194 HydrophobicContact CZ-CB 3.96Å; F192-Y199 VanDerWaalsContact CZ-OH 3.24Å; F192-Y199 WeakPolarHBondContact CZ-OH 3.42Å
193	A	92.8	Very high	89.9	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.284	C	S	.	.			trans	-114.9	32.7	-164.9	0	0	0	0	0	113.1	P173 C175 G195 I196 L197	P173-A193 HydrophobicContact CB-CB 4.32Å; P173-A193 PolarHBondContact O-N 3.04Å; C175-A193 HydrophobicContact CB-CB 4.15Å; C175-A193 WeakPolarHBondContact SG-CB 3.3Å; A193-G195 PolarHBondContact O-N 2.78Å; A193-I196 HydrophobicContact CB-CB 4.19Å; A193-I196 HydrophobicContact CB-CD1 4.4Å; A193-I196 WeakPolarHBondContact O-CB 3.17Å; A193-I196 PolarHBondContact O-N 2.9Å; A193-L197 PolarHBondContact O-N 2.04Å
194	A	92	Very high	90.7	Very high	35 Å²	35	54.6 Å²	54.6	29%	0.289	26%	0.263	S	S	.	.	B	Isolated β-bridge	trans	-59.2	130.3	174.7	0	0	0	0	0	110.9	F192 I196 Y199	F192-A194 HydrophobicContact CD1-CB 3.98Å; F192-A194 HydrophobicContact CE1-CB 3.46Å; F192-A194 VanDerWaalsContact CE1-CB 3.46Å; F192-A194 HydrophobicContact CZ-CB 3.96Å; A194-I196 PolarHBondContact O-N 3.19Å; A194-Y199 HydrophobicContact CB-CE2 4.4Å
195	G	92.5	Very high	91.4	Very high	1 Å²	1	48 Å²	48	1%	0.01	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	78	-7.6	-176.5	0	0	0	0	0	115.2	A193 S218 T220	A193-G195 PolarHBondContact O-N 2.78Å; G195-S218 PolarHBondContact O-OG 2.96Å; G195-T220 VanDerWaalsContact O-CG2 3.24Å; G195-T220 WeakPolarHBondContact O-CG2 3.3Å
196	I	93.6	Very high	91.8	Very high	7 Å²	7	44.8 Å²	44.8	4%	0.036	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-43.3	168.2	-65	172.1	0	0	0	110.3	L154 Y191 A193 A194 L216 S218 Y232 T234	L154-I196 HydrophobicContact CD1-CG2 4.1Å; Y191-I196 HydrophobicContact CE2-CD1 3.78Å; A193-I196 HydrophobicContact CB-CB 4.19Å; A193-I196 HydrophobicContact CB-CD1 4.4Å; A193-I196 WeakPolarHBondContact O-CB 3.17Å; A193-I196 PolarHBondContact O-N 2.9Å; A194-I196 PolarHBondContact O-N 3.19Å; I196-L216 HydrophobicContact CB-CD2 4.37Å; I196-L216 HydrophobicContact CD1-CD2 4.21Å; I196-L216 HydrophobicContact CG1-CD2 4.21Å; I196-L216 HydrophobicContact CG2-CD2 3.33Å; I196-S218 WeakPolarHBondContact CA-OG 3.21Å; I196-S218 VanDerWaalsContact O-CB 3.31Å; I196-S218 WeakPolarHBondContact O-CB 3.49Å; I196-Y232 HydrophobicContact CG1-CD1 4.13Å; I196-Y232 HydrophobicContact CG1-CE1 4.05Å; I196-T234 HydrophobicContact CD1-CG2 3.97Å; I196-T234 HydrophobicContact CG1-CG2 4.23Å
197	L	92	Very high	92	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.01	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-126.8	156.4	178.3	-75.4	-171.6	0	0	0	111.6	R153 L154 C166 G167 P173 A193	R153-L197 HydrophobicContact CB-CD1 4.07Å; R153-L197 HydrophobicContact CB-CD2 3.55Å; R153-L197 HydrophobicContact CB-CG 4.41Å; L154-L197 HydrophobicContact CB-CD2 3.82Å; C166-L197 HydrophobicContact CB-CD1 3.22Å; C166-L197 HydrophobicContact CB-CG 3.94Å; G167-L197 VanDerWaalsContact N-CD1 3.32Å; P173-L197 HydrophobicContact CB-CB 4.14Å; A193-L197 PolarHBondContact O-N 2.04Å
198	P	92.5	Very high	92	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.195	C	C	.	.			trans	-69.3	156.9	170.6	30.9	-32.8	0	0	0	110.7	D200 Q203 T220	P198-D200 WeakPolarHBondContact CB-O 3.31Å; P198-Q203 HydrophobicContact CB-CB 3.72Å; P198-Q203 HydrophobicContact CG-CB 4.45Å; P198-T220 WeakPolarHBondContact CA-OG1 3.43Å; P198-T220 WeakPolarHBondContact CB-OG1 3.44Å; P198-T220 VanDerWaalsContact CD-OG1 3.27Å; P198-T220 WeakPolarHBondContact CD-OG1 3.48Å
199	Y	94.9	Very high	92.1	Very high	30 Å²	30	38 Å²	38	12%	0.118	18%	0.184	C	C	.	.	S	Bend	trans	-78.2	-40.4	170.2	-77.4	-112.3	0	0	0	110.8	F171 P173 F192 A194 A222 F224	F171-Y199 HydrophobicContact CB-CD1 4.48Å; F171-Y199 WeakPolarHBondContact O-CD1 3.43Å; P173-Y199 VanDerWaalsContact CD-CE1 3.46Å; P173-Y199 HydrophobicContact CG-CD1 4.3Å; P173-Y199 HydrophobicContact CG-CD2 3.9Å; P173-Y199 HydrophobicContact CG-CE1 4.14Å; P173-Y199 HydrophobicContact CG-CE2 3.72Å; P173-Y199 HydrophobicContact CG-CG 4.17Å; F192-Y199 VanDerWaalsContact CZ-OH 3.24Å; F192-Y199 WeakPolarHBondContact CZ-OH 3.42Å; A194-Y199 HydrophobicContact CB-CE2 4.4Å; Y199-A222 WeakPolarHBondContact CE2-O 3.42Å; Y199-F224 HydrophobicContact CD1-CB 4.24Å; Y199-F224 HydrophobicContact CD1-CD2 4.21Å
200	D	91.8	Very high	92.1	Very high	23 Å²	23	35 Å²	35	12%	0.123	17%	0.171	C	C	.	.	S	Bend	trans	-92.6	131.4	-179	-161.3	-49.3	0	0	0	110.2	K143 F171 P198 H202 Q203	K143-D200 IonicContact NZ-OD2 3.6Å; K143-D200 PolarHBondContact NZ-OD2 2.81Å; K143-D200 VanDerWaalsContact NZ-OD2 3.13Å; F171-D200 HydrophobicContact CE1-CB 3.62Å; F171-D200 HydrophobicContact CZ-CB 3.9Å; F171-D200 WeakPolarHBondContact CZ-OD2 3.45Å; P198-D200 WeakPolarHBondContact CB-O 3.31Å; D200-H202 PolarHBondContact O-N 3.08Å; D200-H202 WeakPolarHBondContact OD1-CB 3.39Å; D200-H202 IonicContact OD1-CD2 2.78Å; D200-H202 PolarHBondContact OD1-CD2 2.86Å; D200-H202 IonicContact OD1-CG 3.22Å; D200-H202 PolarHBondContact OD1-N 2.8Å; D200-Q203 HydrophobicContact CB-CB 4.46Å; D200-Q203 HydrophobicContact CB-CG 3.93Å; D200-Q203 PolarHBondContact O-N 2.77Å
201	S	88.9	Confident	91.8	Very high	10 Å²	10	31.6 Å²	31.6	7%	0.07	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-18.9	179.7	64.8	0	0	0	0	113	Y151 R153	Y151-S201 VanDerWaalsContact CD2-CB 3.44Å; Y151-S201 VanDerWaalsContact CG-CB 3.44Å; R153-S201 PolarHBondContact NH2-O 2.85Å
202	H	88.1	Confident	91.6	Very high	108 Å²	108	36 Å²	36	50%	0.5	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-12.5	176.6	-61.1	-55.9	0	0	0	113.8	D147 D200	D147-H202 IonicContact OD1-NE2 3.12Å; D200-H202 PolarHBondContact O-N 3.08Å; D200-H202 WeakPolarHBondContact OD1-CB 3.39Å; D200-H202 IonicContact OD1-CD2 2.78Å; D200-H202 PolarHBondContact OD1-CD2 2.86Å; D200-H202 IonicContact OD1-CG 3.22Å; D200-H202 PolarHBondContact OD1-N 2.8Å
203	Q	90.1	Very high	91.4	Very high	37 Å²	37	33.3 Å²	33.3	17%	0.173	18%	0.175	C	C	.	.	S	Bend	trans	-78.6	129.5	177.4	-76.6	168	-12.5	0	0	111	R153 P198 D200 T221	R153-Q203 PolarHBondContact NH2-O 2.83Å; P198-Q203 HydrophobicContact CB-CB 3.72Å; P198-Q203 HydrophobicContact CG-CB 4.45Å; D200-Q203 HydrophobicContact CB-CB 4.46Å; D200-Q203 HydrophobicContact CB-CG 3.93Å; D200-Q203 PolarHBondContact O-N 2.77Å; Q203-T221 PolarHBondContact OE1-OG1 2.72Å
204	N	91.1	Very high	91.3	Very high	67 Å²	67	36 Å²	36	36%	0.358	19%	0.188	S	C	.	.			trans	-75.3	131.2	178.4	-63.9	-46.9	0	0	0	110.7	N258 F259	N204-N258 HydrophobicContact CB-CB 4.39Å; N204-N258 PolarHBondContact ND2-OD1 2.78Å; N204-F259 WeakPolarHBondContact CB-O 3.23Å
205	S	92.8	Very high	91.4	Very high	24 Å²	24	36 Å²	36	17%	0.168	18%	0.182	C	C	.	.			trans	-140.5	152.5	-179	59.2	0	0	0	0	109.8	A219	S205-A219 CarbonylContact C-O 3.58Å; S205-A219 VanDerWaalsContact CA-O 3.23Å; S205-A219 WeakPolarHBondContact CA-O 3.41Å
206	S	92.6	Very high	91.4	Very high	9 Å²	9	36 Å²	36	6%	0.063	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	158.3	170.4	62.1	0	0	0	0	110	A219 S262	S206-A219 PolarHBondContact N-O 2.85Å; S206-A219 PolarHBondContact O-N 3.11Å; S206-S262 PolarHBondContact OG-OG 2.97Å
207	F	93.4	Very high	91.6	Very high	50 Å²	50	35.6 Å²	35.6	22%	0.219	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	157.3	-179.7	66.6	-89.6	0	0	0	111.2	L154 L216 F217	L154-F207 HydrophobicContact CB-CD1 4.1Å; L154-F207 HydrophobicContact CB-CE1 3.89Å; L154-F207 HydrophobicContact CB-CZ 4.19Å; L154-F207 HydrophobicContact CD1-CB 4.12Å; L154-F207 HydrophobicContact CD1-CD1 4.03Å; L154-F207 HydrophobicContact CD1-CD2 3.86Å; L154-F207 HydrophobicContact CD1-CE1 4.46Å; L154-F207 HydrophobicContact CD1-CE2 4.31Å; L154-F207 HydrophobicContact CD1-CG 3.72Å; L154-F207 HydrophobicContact CG-CD1 3.94Å; L154-F207 HydrophobicContact CG-CD2 3.84Å; L154-F207 HydrophobicContact CG-CE1 3.87Å; L154-F207 HydrophobicContact CG-CE2 3.76Å; L154-F207 HydrophobicContact CG-CG 3.94Å; L154-F207 HydrophobicContact CG-CZ 3.79Å; F207-L216 HydrophobicContact CB-CD1 4.34Å; F207-L216 HydrophobicContact CD2-CD1 4.3Å; F207-F217 CarbonylContact C-O 3.6Å; F207-F217 WeakPolarHBondContact CA-O 3.46Å; F207-F217 WeakPolarHBondContact CB-O 3.35Å
208	F	92.9	Very high	91.8	Very high	43 Å²	43	35.5 Å²	35.5	19%	0.189	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	124.9	167.3	167.5	-102.8	0	0	0	108.2	F217 A264 V269	F208-F217 HydrophobicContact CB-CB 4.36Å; F208-F217 AromaticContact CD1-CD2 3.79Å; F208-F217 HydrophobicContact CD1-CD2 3.79Å; F208-F217 HydrophobicContact CD1-CE2 4.39Å; F208-F217 HydrophobicContact CD1-CG 4.39Å; F208-F217 HydrophobicContact CE1-CD2 4.37Å; F208-F217 PolarHBondContact N-O 2.88Å; F208-F217 PolarHBondContact O-N 3.12Å; F208-A264 HydrophobicContact CD1-CB 4.16Å; F208-A264 HydrophobicContact CD2-CB 4.23Å; F208-A264 HydrophobicContact CE1-CB 3.58Å; F208-A264 HydrophobicContact CE2-CB 3.65Å; F208-A264 HydrophobicContact CG-CB 4.46Å; F208-A264 HydrophobicContact CZ-CB 3.3Å; F208-V269 HydrophobicContact CB-CG1 4.22Å; F208-V269 HydrophobicContact CD1-CG1 4.16Å; F208-V269 HydrophobicContact CD1-CG2 3.98Å; F208-V269 HydrophobicContact CE1-CG2 4.24Å; F208-V269 HydrophobicContact CG-CG1 4.41Å
209	Y	92.1	Very high	92	Very high	28 Å²	28	35.5 Å²	35.5	11%	0.11	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	124.7	177.2	174.5	-105.9	0	0	0	110.1	A156 L164 A211 H214 L216 L236	A156-Y209 HydrophobicContact CB-CD1 3.43Å; A156-Y209 VanDerWaalsContact CB-CD1 3.43Å; A156-Y209 HydrophobicContact CB-CD2 4.48Å; A156-Y209 HydrophobicContact CB-CE1 4.08Å; A156-Y209 HydrophobicContact CB-CG 3.63Å; L164-Y209 HydrophobicContact CD2-CD2 4.41Å; L164-Y209 HydrophobicContact CD2-CE2 4.45Å; Y209-A211 HydrophobicContact CD1-CB 4.41Å; Y209-A211 HydrophobicContact CE1-CB 4Å; Y209-H214 PolarHBondContact OH-ND1 2.82Å; Y209-L216 HydrophobicContact CD2-CB 4.37Å; Y209-L216 HydrophobicContact CD2-CD1 4.14Å; Y209-L216 HydrophobicContact CG-CD1 4.47Å; Y209-L236 HydrophobicContact CD2-CD1 4.36Å; Y209-L236 HydrophobicContact CE2-CD1 3.88Å
210	S	91.4	Very high	92.1	Very high	5 Å²	5	34.1 Å²	34.1	4%	0.035	17%	0.174	C	C	.	.			trans	-87.1	110.2	169.8	-179.9	0	0	0	0	110.1	E212 T213 H214 E215 R296	S210-E212 PolarHBondContact O-N 3.01Å; S210-T213 VanDerWaalsContact CB-OG1 3.29Å; S210-T213 WeakPolarHBondContact CB-OG1 3.4Å; S210-T213 PolarHBondContact OG-N 3.41Å; S210-T213 PolarHBondContact OG-OG1 2.93Å; S210-H214 VanDerWaalsContact O-CA 3.23Å; S210-H214 WeakPolarHBondContact O-CA 3.45Å; S210-H214 PolarHBondContact O-N 3.34Å; S210-E215 PolarHBondContact N-O 3.03Å; S210-R296 PolarHBondContact OG-NH2 2.89Å
211	A	87.3	Confident	92.2	Very high	29 Å²	29	33.7 Å²	33.7	24%	0.24	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-22.5	175.5	0	0	0	0	0	113.2	I159 Y209	I159-A211 HydrophobicContact CD1-CB 4.49Å; I159-A211 HydrophobicContact CG1-CB 3.94Å; Y209-A211 HydrophobicContact CD1-CB 4.41Å; Y209-A211 HydrophobicContact CE1-CB 4Å
212	E	87.1	Confident	92.5	Very high	137 Å²	137	34.1 Å²	34.1	64%	0.64	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-47.9	179.2	-60.3	167.4	161.3	0	0	112.4	I159 S210 R296	I159-E212 HydrophobicContact CD1-CB 4.42Å; I159-E212 HydrophobicContact CD1-CG 4.02Å; S210-E212 PolarHBondContact O-N 3.01Å; E212-R296 IonicContact OE2-CZ 2.79Å; E212-R296 IonicContact OE2-NH1 3.41Å; E212-R296 IonicContact OE2-NH2 2.62Å; E212-R296 PolarHBondContact OE2-NH2 3.46Å
213	T	89.7	Confident	92.7	Very high	54 Å²	54	30.2 Å²	30.2	33%	0.331	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-8.5	-174.7	63.5	0	0	0	0	112.9	S210 E215	S210-T213 VanDerWaalsContact CB-OG1 3.29Å; S210-T213 WeakPolarHBondContact CB-OG1 3.4Å; S210-T213 PolarHBondContact OG-N 3.41Å; S210-T213 PolarHBondContact OG-OG1 2.93Å; T213-E215 WeakPolarHBondContact CB-OE2 3.35Å; T213-E215 PolarHBondContact O-N 3Å; T213-E215 VanDerWaalsContact O-N 3.15Å; T213-E215 WeakPolarHBondContact OG1-CB 3.5Å; T213-E215 WeakPolarHBondContact OG1-CG 3.33Å; T213-E215 PolarHBondContact OG1-N 3.29Å; T213-E215 PolarHBondContact OG1-OE2 2.83Å
214	H	90.5	Very high	92.9	Very high	57 Å²	57	31.6 Å²	31.6	26%	0.264	16%	0.164	S	C	.	.			trans	54.7	22.3	-169.5	-60	-84.7	0	0	0	113.5	S158 Y209 S210 L236 T237	S158-H214 PolarHBondContact OG-CE1 3.09Å; Y209-H214 PolarHBondContact OH-ND1 2.82Å; S210-H214 VanDerWaalsContact O-CA 3.23Å; S210-H214 WeakPolarHBondContact O-CA 3.45Å; S210-H214 PolarHBondContact O-N 3.34Å; H214-L236 WeakPolarHBondContact O-CB 3.41Å; H214-L236 WeakPolarHBondContact O-CG 3.26Å; H214-L236 PolarHBondContact O-N 3.42Å; H214-T237 HydrophobicContact CB-CG2 3.65Å
215	E	93	Very high	92.9	Very high	35 Å²	35	31.2 Å²	31.2	16%	0.164	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	135	172.4	-66.4	171.7	128	0	0	109.6	S210 T213 F217 K233 T234 D235	S210-E215 PolarHBondContact N-O 3.03Å; T213-E215 WeakPolarHBondContact CB-OE2 3.35Å; T213-E215 PolarHBondContact O-N 3Å; T213-E215 VanDerWaalsContact O-N 3.15Å; T213-E215 WeakPolarHBondContact OG1-CB 3.5Å; T213-E215 WeakPolarHBondContact OG1-CG 3.33Å; T213-E215 PolarHBondContact OG1-N 3.29Å; T213-E215 PolarHBondContact OG1-OE2 2.83Å; E215-F217 HydrophobicContact CB-CE2 4.07Å; E215-K233 WeakPolarHBondContact OE1-CE 3.49Å; E215-K233 IonicContact OE1-NZ 2.82Å; E215-K233 PolarHBondContact OE1-NZ 3.37Å; E215-T234 CarbonylContact C-O 3.48Å; E215-T234 WeakPolarHBondContact CA-O 3.24Å; E215-D235 HydrophobicContact CG-CB 4.49Å
216	L	93.6	Very high	92.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	126.1	177.4	-177.9	68.3	0	0	0	109.5	L154 I196 F207 Y209 K233 T234 L236	L154-L216 HydrophobicContact CD1-CD1 3.87Å; L154-L216 HydrophobicContact CD1-CD2 3.9Å; L154-L216 HydrophobicContact CD1-CG 4.49Å; I196-L216 HydrophobicContact CB-CD2 4.37Å; I196-L216 HydrophobicContact CD1-CD2 4.21Å; I196-L216 HydrophobicContact CG1-CD2 4.21Å; I196-L216 HydrophobicContact CG2-CD2 3.33Å; F207-L216 HydrophobicContact CB-CD1 4.34Å; F207-L216 HydrophobicContact CD2-CD1 4.3Å; Y209-L216 HydrophobicContact CD2-CB 4.37Å; Y209-L216 HydrophobicContact CD2-CD1 4.14Å; Y209-L216 HydrophobicContact CG-CD1 4.47Å; L216-K233 CarbonylContact O-C 3.16Å; L216-K233 VanDerWaalsContact O-CA 3.31Å; L216-K233 WeakPolarHBondContact O-CA 3.46Å; L216-T234 HydrophobicContact CB-CG2 3.97Å; L216-T234 HydrophobicContact CD2-CG2 4.5Å; L216-T234 PolarHBondContact N-O 2.87Å; L216-T234 PolarHBondContact O-N 3.09Å; L216-L236 HydrophobicContact CB-CD1 4.39Å; L216-L236 HydrophobicContact CB-CD2 4.49Å; L216-L236 HydrophobicContact CB-CG 4.39Å
217	F	96.8	Very high	92.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	122.5	172.1	-63.8	-106.1	0	0	0	107.7	F207 F208 E215 Y232 K233 V269 F271 V294 R296 W307	F207-F217 CarbonylContact C-O 3.6Å; F207-F217 WeakPolarHBondContact CA-O 3.46Å; F207-F217 WeakPolarHBondContact CB-O 3.35Å; F208-F217 HydrophobicContact CB-CB 4.36Å; F208-F217 AromaticContact CD1-CD2 3.79Å; F208-F217 HydrophobicContact CD1-CD2 3.79Å; F208-F217 HydrophobicContact CD1-CE2 4.39Å; F208-F217 HydrophobicContact CD1-CG 4.39Å; F208-F217 HydrophobicContact CE1-CD2 4.37Å; F208-F217 PolarHBondContact N-O 2.88Å; F208-F217 PolarHBondContact O-N 3.12Å; E215-F217 HydrophobicContact CB-CE2 4.07Å; F217-Y232 CarbonylContact C-O 3.57Å; F217-Y232 VanDerWaalsContact CA-O 3.28Å; F217-Y232 WeakPolarHBondContact CA-O 3.39Å; F217-K233 HydrophobicContact CD1-CB 4.04Å; F217-K233 HydrophobicContact CD1-CD 4.49Å; F217-K233 HydrophobicContact CD1-CG 4.27Å; F217-K233 HydrophobicContact CE1-CB 4.07Å; F217-K233 HydrophobicContact CE1-CD 3.68Å; F217-K233 HydrophobicContact CE1-CG 3.93Å; F217-K233 HydrophobicContact CE2-CD 4.49Å; F217-K233 HydrophobicContact CE2-CG 4.41Å; F217-K233 HydrophobicContact CZ-CD 3.68Å; F217-K233 HydrophobicContact CZ-CG 3.99Å; F217-V269 HydrophobicContact CB-CG1 4.15Å; F217-V269 HydrophobicContact CD1-CB 4.12Å; F217-V269 HydrophobicContact CD1-CG1 4.18Å; F217-V269 HydrophobicContact CD1-CG2 3.87Å; F217-V269 HydrophobicContact CD2-CG2 4.12Å; F217-V269 HydrophobicContact CE1-CB 4.32Å; F217-V269 HydrophobicContact CE1-CG2 3.75Å; F217-V269 HydrophobicContact CE2-CG2 4.04Å; F217-V269 HydrophobicContact CG-CB 4.45Å; F217-V269 HydrophobicContact CG-CG1 4.14Å; F217-V269 HydrophobicContact CG-CG2 4.05Å; F217-V269 HydrophobicContact CZ-CG2 3.86Å; F217-F271 HydrophobicContact CB-CE1 4.41Å; F217-F271 HydrophobicContact CB-CZ 4.11Å; F217-F271 HydrophobicContact CD1-CZ 4.31Å; F217-V294 HydrophobicContact CD1-CG2 4.26Å; F217-V294 HydrophobicContact CE1-CG2 4.09Å; F217-R296 HydrophobicContact CE2-CG 4.43Å; F217-R296 HydrophobicContact CZ-CG 4.11Å; F217-W307 HydrophobicContact CD1-CH2 4.02Å; F217-W307 AromaticContact CE1-CH2 3.83Å; F217-W307 HydrophobicContact CE1-CH2 3.83Å; F217-W307 HydrophobicContact CE1-CZ3 4.47Å
218	S	96.4	Very high	92.9	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	144.4	-179.9	53.6	0	0	0	0	110.8	G195 I196 I231 Y232	G195-S218 PolarHBondContact O-OG 2.96Å; I196-S218 WeakPolarHBondContact CA-OG 3.21Å; I196-S218 VanDerWaalsContact O-CB 3.31Å; I196-S218 WeakPolarHBondContact O-CB 3.49Å; S218-I231 CarbonylContact O-C 3.55Å; S218-I231 WeakPolarHBondContact O-CA 3.45Å; S218-Y232 PolarHBondContact N-O 3.21Å; S218-Y232 PolarHBondContact O-N 3.29Å
219	A	97.5	Very high	93	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	105.9	173.6	0	0	0	0	0	108.3	S205 S206 L230 I231 F259 F271	S205-A219 CarbonylContact C-O 3.58Å; S205-A219 VanDerWaalsContact CA-O 3.23Å; S205-A219 WeakPolarHBondContact CA-O 3.41Å; S206-A219 PolarHBondContact N-O 2.85Å; S206-A219 PolarHBondContact O-N 3.11Å; A219-L230 WeakPolarHBondContact CA-O 3.41Å; A219-I231 HydrophobicContact CB-CG1 3.88Å; A219-F259 HydrophobicContact CB-CB 4.18Å; A219-F259 HydrophobicContact CB-CD1 3.44Å; A219-F259 VanDerWaalsContact CB-CD1 3.44Å; A219-F259 HydrophobicContact CB-CD2 4.05Å; A219-F259 HydrophobicContact CB-CE1 3.71Å; A219-F259 HydrophobicContact CB-CE2 4.26Å; A219-F259 HydrophobicContact CB-CG 3.62Å; A219-F259 HydrophobicContact CB-CZ 4.1Å; A219-F259 VanDerWaalsContact O-CD2 3.26Å; A219-F259 WeakPolarHBondContact O-CD2 3.42Å; A219-F271 HydrophobicContact CB-CD1 3.7Å; A219-F271 HydrophobicContact CB-CE1 4.09Å
220	T	96.2	Very high	93.3	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	-159.7	-169.8	-168.9	0	0	0	0	110.5	G195 P198 P229 L230	G195-T220 VanDerWaalsContact O-CG2 3.24Å; G195-T220 WeakPolarHBondContact O-CG2 3.3Å; P198-T220 WeakPolarHBondContact CA-OG1 3.43Å; P198-T220 WeakPolarHBondContact CB-OG1 3.44Å; P198-T220 VanDerWaalsContact CD-OG1 3.27Å; P198-T220 WeakPolarHBondContact CD-OG1 3.48Å; T220-P229 WeakPolarHBondContact O-CA 3.17Å; T220-L230 HydrophobicContact CG2-CD2 4.27Å; T220-L230 PolarHBondContact N-O 3.41Å; T220-L230 VanDerWaalsContact N-O 3.08Å; T220-L230 WeakPolarHBondContact O-CD2 3.29Å; T220-L230 PolarHBondContact O-N 3.21Å
221	T	95.4	Very high	93.6	Very high	14 Å²	14	29.3 Å²	29.3	9%	0.086	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	141.9	170	57.4	0	0	0	0	111.2	Q203 D228 P229	Q203-T221 PolarHBondContact OE1-OG1 2.72Å; T221-D228 WeakPolarHBondContact CA-O 3.32Å; T221-P229 HydrophobicContact CG2-CB 4.45Å
222	A	94.3	Very high	94.1	Very high	18 Å²	18	29.4 Å²	29.4	15%	0.149	18%	0.176	C	C	.	.	S	Bend	trans	-90.8	-10.4	-176.9	0	0	0	0	0	114.3	Y199 D228 L230	Y199-A222 WeakPolarHBondContact CE2-O 3.42Å; A222-D228 HydrophobicContact CB-CB 4.42Å; A222-D228 PolarHBondContact N-O 3.08Å; A222-L230 HydrophobicContact CB-CD1 4.02Å; A222-L230 HydrophobicContact CB-CD2 3.66Å; A222-L230 HydrophobicContact CB-CG 4.47Å
223	D	93.5	Very high	94.5	Very high	27 Å²	27	23.7 Å²	23.7	14%	0.144	15%	0.149	C	C	.	.	S	Bend	trans	-122.1	161.6	-173.1	70.7	-46.1	0	0	0	112.9	G225 G226 S227 D228	D223-G225 PolarHBondContact O-N 2.79Å; D223-G225 PolarHBondContact OD2-N 2.92Å; D223-G226 PolarHBondContact O-N 2.92Å; D223-G226 WeakPolarHBondContact OD1-CA 3.27Å; D223-G226 PolarHBondContact OD1-N 2.56Å; D223-G226 PolarHBondContact OD2-N 3.34Å; D223-S227 VanDerWaalsContact CG-N 3.34Å; D223-S227 PolarHBondContact OD1-N 2.85Å; D223-S227 WeakPolarHBondContact OD2-CB 3.4Å; D223-S227 PolarHBondContact OD2-N 2.85Å; D223-S227 PolarHBondContact OD2-OG 3.33Å; D223-D228 HydrophobicContact CB-CB 4.34Å; D223-D228 PolarHBondContact OD1-N 3.47Å
224	F	92.8	Very high	94.7	Very high	65 Å²	65	21.8 Å²	21.8	29%	0.285	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-34.6	178.2	-179	-88.3	0	0	0	113.1	K141 K143 F171 Y199	K141-F224 HydrophobicContact CB-CE2 4.33Å; K141-F224 HydrophobicContact CB-CZ 3.92Å; K141-F224 HydrophobicContact CD-CD2 4.46Å; K141-F224 HydrophobicContact CD-CE2 3.88Å; K141-F224 HydrophobicContact CD-CZ 4.25Å; K143-F224 HydrophobicContact CD-CZ 4.26Å; K143-F224 VanDerWaalsContact CE-CZ 3.43Å; K143-F224 HydrophobicContact CG-CE2 4.44Å; K143-F224 HydrophobicContact CG-CZ 3.86Å; F171-F224 HydrophobicContact CB-CD2 3.86Å; F171-F224 HydrophobicContact CB-CE2 3.52Å; F171-F224 AromaticContact CD1-CD2 3.64Å; F171-F224 HydrophobicContact CD1-CD2 3.64Å; F171-F224 AromaticContact CD1-CE2 3.34Å; F171-F224 HydrophobicContact CD1-CE2 3.34Å; F171-F224 HydrophobicContact CD1-CG 4.45Å; F171-F224 AromaticContact CD1-CZ 3.94Å; F171-F224 HydrophobicContact CD1-CZ 3.94Å; F171-F224 HydrophobicContact CE1-CE2 4.28Å; F171-F224 HydrophobicContact CE1-CZ 4.49Å; F171-F224 HydrophobicContact CG-CD2 4.14Å; F171-F224 AromaticContact CG-CE2 3.62Å; F171-F224 HydrophobicContact CG-CE2 3.62Å; F171-F224 HydrophobicContact CG-CZ 4.39Å; Y199-F224 HydrophobicContact CD1-CB 4.24Å; Y199-F224 HydrophobicContact CD1-CD2 4.21Å
225	G	91.1	Very high	94.8	Very high	60 Å²	60	20.1 Å²	20.1	62%	0.619	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-10.4	-176.6	0	0	0	0	0	114.8	D223 S227	D223-G225 PolarHBondContact O-N 2.79Å; D223-G225 PolarHBondContact OD2-N 2.92Å; G225-S227 VanDerWaalsContact C-N 3.27Å; G225-S227 PolarHBondContact O-N 3.46Å
226	G	90.9	Very high	94.5	Very high	24 Å²	24	19.6 Å²	19.6	25%	0.247	13%	0.129	C	C	.	.	S	Bend	trans	72.3	17	-173.1	0	0	0	0	0	114.8	D223	D223-G226 PolarHBondContact O-N 2.92Å; D223-G226 WeakPolarHBondContact OD1-CA 3.27Å; D223-G226 PolarHBondContact OD1-N 2.56Å; D223-G226 PolarHBondContact OD2-N 3.34Å
227	S	92.3	Very high	94.2	Very high	71 Å²	71	23.7 Å²	23.7	50%	0.497	15%	0.154	S	C	.	.			trans	-85.6	-14.8	-177.1	69.9	0	0	0	0	113.9	D223 G225 P229	D223-S227 VanDerWaalsContact CG-N 3.34Å; D223-S227 PolarHBondContact OD1-N 2.85Å; D223-S227 WeakPolarHBondContact OD2-CB 3.4Å; D223-S227 PolarHBondContact OD2-N 2.85Å; D223-S227 PolarHBondContact OD2-OG 3.33Å; G225-S227 VanDerWaalsContact C-N 3.27Å; G225-S227 PolarHBondContact O-N 3.46Å; S227-P229 VanDerWaalsContact C-CD 3.4Å; S227-P229 WeakPolarHBondContact O-CD 3.29Å
228	D	95.4	Very high	93.7	Very high	3 Å²	3	29.5 Å²	29.5	2%	0.016	18%	0.179	C	C	.	.			trans	-112.7	74.8	178.2	-172.6	20.3	0	0	0	111.1	T221 A222 D223 R245 R248 Y249	T221-D228 WeakPolarHBondContact CA-O 3.32Å; A222-D228 HydrophobicContact CB-CB 4.42Å; A222-D228 PolarHBondContact N-O 3.08Å; D223-D228 HydrophobicContact CB-CB 4.34Å; D223-D228 PolarHBondContact OD1-N 3.47Å; D228-R245 VanDerWaalsContact CG-NH2 3.33Å; D228-R245 IonicContact OD1-CZ 2.99Å; D228-R245 IonicContact OD1-NH2 3.58Å; D228-R245 PolarHBondContact OD1-NH2 3.43Å; D228-R245 IonicContact OD2-CZ 2.75Å; D228-R245 IonicContact OD2-NH1 3.32Å; D228-R245 PolarHBondContact OD2-NH1 3.13Å; D228-R245 VanDerWaalsContact OD2-NH1 3.09Å; D228-R245 IonicContact OD2-NH2 3.77Å; D228-R245 PolarHBondContact OD2-NH2 3.36Å; D228-R245 VanDerWaalsContact OD2-NH2 3.17Å; D228-R248 VanDerWaalsContact OD1-CG 3.27Å; D228-R248 WeakPolarHBondContact OD1-CG 3.49Å; D228-R248 WeakPolarHBondContact OD2-CG 3.2Å; D228-R248 IonicContact OD2-NE 2.92Å; D228-R248 PolarHBondContact OD2-NE 3.46Å; D228-Y249 HydrophobicContact CB-CE1 4.02Å
229	P	96.7	Very high	92.6	Very high	17 Å²	17	35.8 Å²	35.8	11%	0.11	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	139.7	171.8	30.6	-34.8	0	0	0	110.5	T220 T221 S227 L254 P257	T220-P229 WeakPolarHBondContact O-CA 3.17Å; T221-P229 HydrophobicContact CG2-CB 4.45Å; S227-P229 VanDerWaalsContact C-CD 3.4Å; S227-P229 WeakPolarHBondContact O-CD 3.29Å; P229-L254 HydrophobicContact CB-CB 4.49Å; P229-L254 HydrophobicContact CG-CB 4.22Å; P229-P257 HydrophobicContact CB-CG 3.5Å; P229-P257 VanDerWaalsContact CB-CG 3.5Å; P229-P257 HydrophobicContact CG-CG 4.15Å
230	L	97.2	Very high	91.4	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.021	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	152.2	179	77	174.6	0	0	0	113	A219 T220 A222 Y232 R245 T246	A219-L230 WeakPolarHBondContact CA-O 3.41Å; T220-L230 HydrophobicContact CG2-CD2 4.27Å; T220-L230 PolarHBondContact N-O 3.41Å; T220-L230 VanDerWaalsContact N-O 3.08Å; T220-L230 WeakPolarHBondContact O-CD2 3.29Å; T220-L230 PolarHBondContact O-N 3.21Å; A222-L230 HydrophobicContact CB-CD1 4.02Å; A222-L230 HydrophobicContact CB-CD2 3.66Å; A222-L230 HydrophobicContact CB-CG 4.47Å; L230-Y232 HydrophobicContact CD1-CG 4.31Å; L230-R245 HydrophobicContact CD1-CB 4.26Å; L230-T246 VanDerWaalsContact CA-OG1 3.31Å; L230-T246 WeakPolarHBondContact CA-OG1 3.29Å
231	I	97.9	Very high	90.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	121.9	157.4	-71.2	161.7	0	0	0	106.9	S218 A219 R245 T246 L254 F259 F271 W307 F310	S218-I231 CarbonylContact O-C 3.55Å; S218-I231 WeakPolarHBondContact O-CA 3.45Å; A219-I231 HydrophobicContact CB-CG1 3.88Å; I231-R245 WeakPolarHBondContact O-CA 3.42Å; I231-T246 HydrophobicContact CB-CG2 3.99Å; I231-T246 PolarHBondContact N-OG1 3.14Å; I231-T246 PolarHBondContact O-N 2.89Å; I231-T246 VanDerWaalsContact O-N 3.12Å; I231-L254 HydrophobicContact CD1-CD2 4.3Å; I231-L254 HydrophobicContact CG1-CD1 4.41Å; I231-F259 HydrophobicContact CD1-CE1 4.32Å; I231-F259 HydrophobicContact CG1-CE1 4.12Å; I231-F259 HydrophobicContact CG1-CZ 4.46Å; I231-F271 HydrophobicContact CD1-CB 4.13Å; I231-F271 HydrophobicContact CD1-CD1 4.25Å; I231-F271 HydrophobicContact CD1-CD2 4.11Å; I231-F271 HydrophobicContact CD1-CG 3.9Å; I231-F271 HydrophobicContact CG1-CD1 4.13Å; I231-F271 HydrophobicContact CG1-CE1 4.37Å; I231-F271 HydrophobicContact CG1-CG 4.28Å; I231-F271 HydrophobicContact CG2-CD1 4.22Å; I231-F271 HydrophobicContact CG2-CD2 4.17Å; I231-F271 HydrophobicContact CG2-CE1 3.7Å; I231-F271 HydrophobicContact CG2-CE2 3.62Å; I231-F271 HydrophobicContact CG2-CG 4.44Å; I231-F271 HydrophobicContact CG2-CZ 3.36Å; I231-W307 HydrophobicContact CG2-CZ2 4.18Å; I231-W307 PolarHBondContact O-NE1 2.79Å; I231-F310 HydrophobicContact CD1-CD2 4.41Å; I231-F310 HydrophobicContact CD1-CE2 3.59Å; I231-F310 HydrophobicContact CD1-CZ 4.41Å
232	Y	97	Very high	89.9	Confident	30 Å²	30	52.1 Å²	52.1	12%	0.118	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	141.2	-169	-180	-125.9	0	0	0	111.2	I196 F217 S218 L230 T234 M242 L244 R245	I196-Y232 HydrophobicContact CG1-CD1 4.13Å; I196-Y232 HydrophobicContact CG1-CE1 4.05Å; F217-Y232 CarbonylContact C-O 3.57Å; F217-Y232 VanDerWaalsContact CA-O 3.28Å; F217-Y232 WeakPolarHBondContact CA-O 3.39Å; S218-Y232 PolarHBondContact N-O 3.21Å; S218-Y232 PolarHBondContact O-N 3.29Å; L230-Y232 HydrophobicContact CD1-CG 4.31Å; Y232-T234 HydrophobicContact CD1-CG2 4.47Å; Y232-T234 HydrophobicContact CE1-CG2 3.91Å; Y232-M242 WeakPolarHBondContact CE2-O 3.37Å; Y232-M242 PolarHBondContact OH-O 3.34Å; Y232-L244 CarbonylContact C-O 3.42Å; Y232-L244 VanDerWaalsContact CA-O 3.3Å; Y232-L244 WeakPolarHBondContact CA-O 3.34Å; Y232-L244 WeakPolarHBondContact CD2-O 3.09Å; Y232-R245 HydrophobicContact CD2-CB 4Å
233	K	96.2	Very high	89.8	Confident	17 Å²	17	51.9 Å²	51.9	7%	0.074	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	133.1	171.1	169.8	-172.5	178.8	-179.6	0	109.5	E215 L216 F217 G243 L244 R296 D298 W307	E215-K233 WeakPolarHBondContact OE1-CE 3.49Å; E215-K233 IonicContact OE1-NZ 2.82Å; E215-K233 PolarHBondContact OE1-NZ 3.37Å; L216-K233 CarbonylContact O-C 3.16Å; L216-K233 VanDerWaalsContact O-CA 3.31Å; L216-K233 WeakPolarHBondContact O-CA 3.46Å; F217-K233 HydrophobicContact CD1-CB 4.04Å; F217-K233 HydrophobicContact CD1-CD 4.49Å; F217-K233 HydrophobicContact CD1-CG 4.27Å; F217-K233 HydrophobicContact CE1-CB 4.07Å; F217-K233 HydrophobicContact CE1-CD 3.68Å; F217-K233 HydrophobicContact CE1-CG 3.93Å; F217-K233 HydrophobicContact CE2-CD 4.49Å; F217-K233 HydrophobicContact CE2-CG 4.41Å; F217-K233 HydrophobicContact CZ-CD 3.68Å; F217-K233 HydrophobicContact CZ-CG 3.99Å; K233-G243 CarbonylContact O-C 3.49Å; K233-G243 WeakPolarHBondContact O-CA 3.41Å; K233-L244 HydrophobicContact CB-CB 4.34Å; K233-L244 HydrophobicContact CD-CD1 4.37Å; K233-L244 PolarHBondContact N-O 3.15Å; K233-L244 PolarHBondContact O-N 3.13Å; K233-R296 PolarHBondContact NZ-O 3.44Å; K233-D298 PolarHBondContact NZ-O 2.79Å; K233-W307 HydrophobicContact CB-CH2 3.34Å; K233-W307 HydrophobicContact CB-CZ2 3.62Å; K233-W307 HydrophobicContact CB-CZ3 4.4Å; K233-W307 HydrophobicContact CD-CH2 3.87Å; K233-W307 HydrophobicContact CD-CZ3 4.23Å; K233-W307 HydrophobicContact CG-CH2 4.19Å
234	T	93.7	Very high	89.8	Confident	15 Å²	15	51.1 Å²	51.1	9%	0.092	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	148.7	175.6	-174	0	0	0	0	111.2	I196 E215 L216 Y232 L236	I196-T234 HydrophobicContact CD1-CG2 3.97Å; I196-T234 HydrophobicContact CG1-CG2 4.23Å; E215-T234 CarbonylContact C-O 3.48Å; E215-T234 WeakPolarHBondContact CA-O 3.24Å; L216-T234 HydrophobicContact CB-CG2 3.97Å; L216-T234 HydrophobicContact CD2-CG2 4.5Å; L216-T234 PolarHBondContact N-O 2.87Å; L216-T234 PolarHBondContact O-N 3.09Å; Y232-T234 HydrophobicContact CD1-CG2 4.47Å; Y232-T234 HydrophobicContact CE1-CG2 3.91Å; T234-L236 HydrophobicContact CG2-CD2 3.79Å
235	D	92	Very high	89.9	Confident	22 Å²	22	50.7 Å²	50.7	12%	0.118	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	113.7	172.7	176.7	-16.3	0	0	0	108.6	E215 T237 K238	E215-D235 HydrophobicContact CG-CB 4.49Å; D235-T237 PolarHBondContact O-N 3.06Å; D235-T237 WeakPolarHBondContact OD1-CB 3.3Å; D235-T237 PolarHBondContact OD1-N 3.3Å; D235-T237 PolarHBondContact OD1-OG1 3.17Å; D235-K238 HydrophobicContact CB-CD 4.2Å; D235-K238 PolarHBondContact O-N 2.75Å; D235-K238 WeakPolarHBondContact OD2-CD 3.15Å; D235-K238 WeakPolarHBondContact OD2-CE 3.19Å; D235-K238 IonicContact OD2-NZ 3.63Å; D235-K238 PolarHBondContact OD2-NZ 2.78Å
236	L	88.6	Confident	90.1	Very high	23 Å²	23	48 Å²	48	12%	0.12	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-15.1	-172.4	-59.1	-174	0	0	0	113.9	L164 K189 Y191 Y209 H214 L216 T234	L164-L236 HydrophobicContact CD1-CD1 4.34Å; L164-L236 HydrophobicContact CD2-CD1 3.4Å; L164-L236 HydrophobicContact CG-CD1 4.47Å; K189-L236 PolarHBondContact NZ-O 2.74Å; Y191-L236 HydrophobicContact CE2-CD2 4.3Å; Y191-L236 VanDerWaalsContact OH-CD2 3.24Å; Y191-L236 WeakPolarHBondContact OH-CD2 3.41Å; Y209-L236 HydrophobicContact CD2-CD1 4.36Å; Y209-L236 HydrophobicContact CE2-CD1 3.88Å; H214-L236 WeakPolarHBondContact O-CB 3.41Å; H214-L236 WeakPolarHBondContact O-CG 3.26Å; H214-L236 PolarHBondContact O-N 3.42Å; L216-L236 HydrophobicContact CB-CD1 4.39Å; L216-L236 HydrophobicContact CB-CD2 4.49Å; L216-L236 HydrophobicContact CB-CG 4.39Å; T234-L236 HydrophobicContact CG2-CD2 3.79Å
237	T	87	Confident	90.1	Very high	86 Å²	86	49.1 Å²	49.1	53%	0.528	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-27.9	177.5	70.6	0	0	0	0	111.9	H214 D235	H214-T237 HydrophobicContact CB-CG2 3.65Å; D235-T237 PolarHBondContact O-N 3.06Å; D235-T237 WeakPolarHBondContact OD1-CB 3.3Å; D235-T237 PolarHBondContact OD1-N 3.3Å; D235-T237 PolarHBondContact OD1-OG1 3.17Å
238	K	85.8	Confident	90.1	Very high	123 Å²	123	52.5 Å²	52.5	54%	0.535	27%	0.269	S	S	.	.			trans	-91.7	139.2	-178.5	-65.9	174.3	-178	131.7	0	110.4	D235 T241	D235-K238 HydrophobicContact CB-CD 4.2Å; D235-K238 PolarHBondContact O-N 2.75Å; D235-K238 WeakPolarHBondContact OD2-CD 3.15Å; D235-K238 WeakPolarHBondContact OD2-CE 3.19Å; D235-K238 IonicContact OD2-NZ 3.63Å; D235-K238 PolarHBondContact OD2-NZ 2.78Å; K238-T241 HydrophobicContact CB-CG2 3.08Å; K238-T241 HydrophobicContact CD-CG2 3.55Å; K238-T241 HydrophobicContact CG-CG2 3.94Å
239	T	74.3	Confident	89.6	Confident	131 Å²	131	58.7 Å²	58.7	80%	0.804	29%	0.293	S	S	*	.	S	Bend	trans	-90.8	-17.1	-174.8	49.3	0	0	0	0	114.2
240	D	71.4	Confident	89.3	Confident	159 Å²	159	60 Å²	60	85%	0.85	30%	0.299	S	S	*	.	S	Bend	trans	-138.9	41.9	-170	-150.2	15.7	0	0	0	112.3
241	T	76.3	Confident	88.9	Confident	50 Å²	50	65.9 Å²	65.9	31%	0.307	32%	0.324	S	S	.	.			trans	-98.2	133.7	172.4	109.1	0	0	0	0	109.7	K238 G243	K238-T241 HydrophobicContact CB-CG2 3.08Å; K238-T241 HydrophobicContact CD-CG2 3.55Å; K238-T241 HydrophobicContact CG-CG2 3.94Å; T241-G243 PolarHBondContact O-N 3.5Å; T241-G243 PolarHBondContact OG1-N 3.39Å
242	M	84.1	Confident	88.2	Confident	149 Å²	149	69.5 Å²	69.5	73%	0.734	34%	0.344	S	S	*	.			trans	-73.8	-7	168.8	-66.5	-172.3	61.8	0	0	113.2	Y232	Y232-M242 WeakPolarHBondContact CE2-O 3.37Å; Y232-M242 PolarHBondContact OH-O 3.34Å
243	G	91.1	Very high	88	Confident	13 Å²	13	68.6 Å²	68.6	13%	0.134	34%	0.34	C	S	.	.			trans	67.6	-164.7	-176.4	0	0	0	0	0	113.2	K233 T241 D305	K233-G243 CarbonylContact O-C 3.49Å; K233-G243 WeakPolarHBondContact O-CA 3.41Å; T241-G243 PolarHBondContact O-N 3.5Å; T241-G243 PolarHBondContact OG1-N 3.39Å; G243-D305 WeakPolarHBondContact O-CB 3.31Å
244	L	94.8	Very high	87.9	Confident	11 Å²	11	68.2 Å²	68.2	6%	0.058	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	135.3	168.6	-68.6	177	0	0	0	109.7	Y232 K233 D298 D305 W307	Y232-L244 CarbonylContact C-O 3.42Å; Y232-L244 VanDerWaalsContact CA-O 3.3Å; Y232-L244 WeakPolarHBondContact CA-O 3.34Å; Y232-L244 WeakPolarHBondContact CD2-O 3.09Å; K233-L244 HydrophobicContact CB-CB 4.34Å; K233-L244 HydrophobicContact CD-CD1 4.37Å; K233-L244 PolarHBondContact N-O 3.15Å; K233-L244 PolarHBondContact O-N 3.13Å; L244-D298 HydrophobicContact CD1-CB 4.27Å; L244-D298 WeakPolarHBondContact CD1-O 3.23Å; L244-D305 WeakPolarHBondContact CA-O 3.28Å; L244-D305 HydrophobicContact CD2-CB 4.37Å; L244-W307 HydrophobicContact CB-CD2 4.29Å; L244-W307 HydrophobicContact CB-CE3 4.33Å; L244-W307 HydrophobicContact CB-CH2 4.3Å; L244-W307 HydrophobicContact CB-CZ2 4.21Å; L244-W307 HydrophobicContact CB-CZ3 4.34Å; L244-W307 HydrophobicContact CD1-CE3 4.09Å; L244-W307 HydrophobicContact CD1-CZ3 3.99Å
245	R	94.8	Very high	87.9	Confident	57 Å²	57	67.8 Å²	67.8	22%	0.215	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	162.3	178	64.4	168.8	-68.5	164.3	1.4	114.2	D228 L230 I231 Y232 D305 N306	D228-R245 VanDerWaalsContact CG-NH2 3.33Å; D228-R245 IonicContact OD1-CZ 2.99Å; D228-R245 IonicContact OD1-NH2 3.58Å; D228-R245 PolarHBondContact OD1-NH2 3.43Å; D228-R245 IonicContact OD2-CZ 2.75Å; D228-R245 IonicContact OD2-NH1 3.32Å; D228-R245 PolarHBondContact OD2-NH1 3.13Å; D228-R245 VanDerWaalsContact OD2-NH1 3.09Å; D228-R245 IonicContact OD2-NH2 3.77Å; D228-R245 PolarHBondContact OD2-NH2 3.36Å; D228-R245 VanDerWaalsContact OD2-NH2 3.17Å; L230-R245 HydrophobicContact CD1-CB 4.26Å; I231-R245 WeakPolarHBondContact O-CA 3.42Å; Y232-R245 HydrophobicContact CD2-CB 4Å; R245-D305 PolarHBondContact N-O 3.14Å; R245-N306 WeakPolarHBondContact O-CA 3.41Å
246	T	94.6	Very high	88	Confident	2 Å²	2	71.6 Å²	71.6	1%	0.012	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-68.1	147.9	163.8	49.1	0	0	0	0	111.3	L230 I231 R248 L254 F310	L230-T246 VanDerWaalsContact CA-OG1 3.31Å; L230-T246 WeakPolarHBondContact CA-OG1 3.29Å; I231-T246 HydrophobicContact CB-CG2 3.99Å; I231-T246 PolarHBondContact N-OG1 3.14Å; I231-T246 PolarHBondContact O-N 2.89Å; I231-T246 VanDerWaalsContact O-N 3.12Å; T246-R248 PolarHBondContact O-N 2.87Å; T246-L254 HydrophobicContact CG2-CD1 4.23Å; T246-F310 HydrophobicContact CG2-CD2 4.3Å; T246-F310 HydrophobicContact CG2-CE2 4.41Å
247	D	91.1	Very high	88.3	Confident	48 Å²	48	71.3 Å²	71.3	26%	0.257	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-54.8	131.8	178.1	-64	20.5	0	0	0	111.5	Y249 N250 L253 N306	D247-Y249 PolarHBondContact O-N 3.04Å; D247-N250 HydrophobicContact CB-CB 3.81Å; D247-N250 PolarHBondContact O-N 2.79Å; D247-L253 HydrophobicContact CB-CD1 3.66Å; D247-N306 PolarHBondContact OD1-ND2 3.23Å
248	R	91.4	Very high	88.8	Confident	143 Å²	143	69.5 Å²	69.5	54%	0.54	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	133.1	179.7	-153.4	-177.4	-175.5	-175.8	-5.2	110.7	D228 T246 N250	D228-R248 VanDerWaalsContact OD1-CG 3.27Å; D228-R248 WeakPolarHBondContact OD1-CG 3.49Å; D228-R248 WeakPolarHBondContact OD2-CG 3.2Å; D228-R248 IonicContact OD2-NE 2.92Å; D228-R248 PolarHBondContact OD2-NE 3.46Å; T246-R248 PolarHBondContact O-N 2.87Å; R248-N250 PolarHBondContact O-N 2.98Å
249	Y	86.5	Confident	89.3	Confident	133 Å²	133	64 Å²	64	52%	0.522	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	13.4	175.2	-46.7	-54.3	0	0	0	116	D228 D247 K251	D228-Y249 HydrophobicContact CB-CE1 4.02Å; D247-Y249 PolarHBondContact O-N 3.04Å; Y249-K251 PolarHBondContact O-N 2.92Å; Y249-K251 VanDerWaalsContact O-N 3.16Å
250	N	89.2	Confident	90.3	Very high	45 Å²	45	59.1 Å²	59.1	24%	0.241	29%	0.286	C	S	.	.			trans	-82.7	94.7	176.1	-173.3	-12.1	0	0	0	110.3	D247 R248 N252 L253 L254	D247-N250 HydrophobicContact CB-CB 3.81Å; D247-N250 PolarHBondContact O-N 2.79Å; R248-N250 PolarHBondContact O-N 2.98Å; N250-N252 PolarHBondContact O-N 2.85Å; N250-N252 VanDerWaalsContact O-N 3.08Å; N250-N252 VanDerWaalsContact OD1-CB 3.31Å; N250-N252 WeakPolarHBondContact OD1-CB 3.43Å; N250-N252 PolarHBondContact OD1-N 2.62Å; N250-L253 HydrophobicContact CB-CD1 4.03Å; N250-L253 HydrophobicContact CB-CG 4.3Å; N250-L253 WeakPolarHBondContact O-CB 3.39Å; N250-L253 PolarHBondContact O-N 3.47Å; N250-L254 PolarHBondContact O-N 2.65Å
251	K	88.5	Confident	91.4	Very high	127 Å²	127	53.2 Å²	53.2	55%	0.552	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-15.3	179.5	-63.7	-172.1	177.8	-165.3	0	114.2	Y249 L253 L254 N255	Y249-K251 PolarHBondContact O-N 2.92Å; Y249-K251 VanDerWaalsContact O-N 3.16Å; K251-L253 VanDerWaalsContact C-N 3.34Å; K251-L254 WeakPolarHBondContact CA-O 3.33Å; K251-N255 HydrophobicContact CB-CB 4.23Å
252	N	84.8	Confident	92.2	Very high	76 Å²	76	51.4 Å²	51.4	41%	0.406	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-31	173.3	-59.9	-21.3	0	0	0	111.1	N250 K312 L385	N250-N252 PolarHBondContact O-N 2.85Å; N250-N252 VanDerWaalsContact O-N 3.08Å; N250-N252 VanDerWaalsContact OD1-CB 3.31Å; N250-N252 WeakPolarHBondContact OD1-CB 3.43Å; N250-N252 PolarHBondContact OD1-N 2.62Å; N252-K312 WeakPolarHBondContact O-CE 3.34Å; N252-K312 PolarHBondContact O-NZ 2.56Å; N252-L385 HydrophobicContact CB-CD1 4.02Å; N252-L385 VanDerWaalsContact OD1-CD1 3.31Å; N252-L385 WeakPolarHBondContact OD1-CD1 3.19Å
253	L	90.9	Very high	92.7	Very high	10 Å²	10	45.7 Å²	45.7	5%	0.052	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-56.7	175.1	-66.6	171.8	0	0	0	111	D247 N250 K251 F310 K312 P453	D247-L253 HydrophobicContact CB-CD1 3.66Å; N250-L253 HydrophobicContact CB-CD1 4.03Å; N250-L253 HydrophobicContact CB-CG 4.3Å; N250-L253 WeakPolarHBondContact O-CB 3.39Å; N250-L253 PolarHBondContact O-N 3.47Å; K251-L253 VanDerWaalsContact C-N 3.34Å; L253-F310 HydrophobicContact CB-CE1 4.41Å; L253-F310 HydrophobicContact CD2-CD1 3.45Å; L253-F310 VanDerWaalsContact CD2-CD1 3.45Å; L253-F310 HydrophobicContact CD2-CE1 3.62Å; L253-F310 HydrophobicContact CD2-CG 4.44Å; L253-K312 WeakPolarHBondContact O-CE 3.32Å; L253-K312 PolarHBondContact O-NZ 2.78Å; L253-P453 HydrophobicContact CD2-CB 3.64Å; L253-P453 HydrophobicContact CD2-CG 3.6Å; L253-P453 HydrophobicContact CG-CG 4.41Å
254	L	94.4	Very high	92.8	Very high	10 Å²	10	46.6 Å²	46.6	5%	0.052	22%	0.222	C	C	.	.			trans	-142.1	125.4	-175.7	-65.9	172.6	0	0	0	109.9	P229 I231 T246 N250 K251 P257 F259 F273	P229-L254 HydrophobicContact CB-CB 4.49Å; P229-L254 HydrophobicContact CG-CB 4.22Å; I231-L254 HydrophobicContact CD1-CD2 4.3Å; I231-L254 HydrophobicContact CG1-CD1 4.41Å; T246-L254 HydrophobicContact CG2-CD1 4.23Å; N250-L254 PolarHBondContact O-N 2.65Å; K251-L254 WeakPolarHBondContact CA-O 3.33Å; L254-P257 HydrophobicContact CB-CG 4.25Å; L254-P257 HydrophobicContact CD2-CB 4.48Å; L254-P257 HydrophobicContact CD2-CG 4.35Å; L254-F259 HydrophobicContact CD1-CZ 4.19Å; L254-F259 HydrophobicContact CD2-CE1 4.2Å; L254-F259 HydrophobicContact CD2-CZ 4.27Å; L254-F273 HydrophobicContact CD2-CE2 3.93Å; L254-F273 HydrophobicContact CD2-CZ 3.9Å
255	N	93.3	Very high	92.6	Very high	5 Å²	5	46.4 Å²	46.4	3%	0.027	22%	0.221	C	C	.	.	S	Bend	trans	-130.6	98.3	-179.5	-176.7	42.5	0	0	0	111.9	K251 E275 V276 Y278	K251-N255 HydrophobicContact CB-CB 4.23Å; N255-E275 PolarHBondContact N-OE2 3.38Å; N255-E275 WeakPolarHBondContact O-CB 3.45Å; N255-V276 WeakPolarHBondContact CB-O 3.39Å; N255-V276 WeakPolarHBondContact ND2-CB 3.41Å; N255-V276 PolarHBondContact ND2-O 3.4Å; N255-V276 PolarHBondContact O-N 3.21Å; N255-Y278 WeakPolarHBondContact ND2-CD2 3.44Å; N255-Y278 WeakPolarHBondContact ND2-CE2 3.42Å
256	E	94.1	Very high	92.3	Very high	103 Å²	103	47.5 Å²	47.5	48%	0.481	23%	0.232	S	C	.	.	S	Bend	trans	51.1	50.7	-176.9	-58.3	172.2	-123.8	0	0	112.2	V276	E256-V276 HydrophobicContact CB-CG2 4Å
257	P	96.5	Very high	92.2	Very high	17 Å²	17	52.3 Å²	52.3	11%	0.11	26%	0.257	C	S	.	.			trans	-72.8	149.6	-175.9	33.5	-36.8	0	0	0	112.1	P229 L254 F259 F273 R274 E275	P229-P257 HydrophobicContact CB-CG 3.5Å; P229-P257 VanDerWaalsContact CB-CG 3.5Å; P229-P257 HydrophobicContact CG-CG 4.15Å; L254-P257 HydrophobicContact CB-CG 4.25Å; L254-P257 HydrophobicContact CD2-CB 4.48Å; L254-P257 HydrophobicContact CD2-CG 4.35Å; P257-F259 HydrophobicContact CB-CE1 4.04Å; P257-F259 HydrophobicContact CB-CE2 4.2Å; P257-F259 HydrophobicContact CB-CZ 3.85Å; P257-F259 HydrophobicContact CG-CE1 4.14Å; P257-F259 HydrophobicContact CG-CE2 3.68Å; P257-F259 HydrophobicContact CG-CZ 3.45Å; P257-F259 VanDerWaalsContact CG-CZ 3.45Å; P257-F273 HydrophobicContact CB-CD2 3.87Å; P257-F273 HydrophobicContact CB-CE2 4.42Å; P257-R274 CarbonylContact C-O 3.52Å; P257-R274 VanDerWaalsContact CA-O 3.28Å; P257-R274 WeakPolarHBondContact CA-O 3.32Å; P257-E275 HydrophobicContact CB-CB 4.3Å
258	N	96.1	Very high	92.3	Very high	47 Å²	47	51 Å²	51	25%	0.251	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	109.1	160.9	-82.6	-67.3	0	0	0	108.4	N204 F273 R274	N204-N258 HydrophobicContact CB-CB 4.39Å; N204-N258 PolarHBondContact ND2-OD1 2.78Å; N258-F273 VanDerWaalsContact O-CA 3.28Å; N258-F273 WeakPolarHBondContact O-CA 3.35Å; N258-F273 VanDerWaalsContact O-CB 3.24Å; N258-F273 WeakPolarHBondContact O-CB 3.44Å; N258-R274 HydrophobicContact CB-CG 3.89Å; N258-R274 VanDerWaalsContact CB-CZ 3.43Å; N258-R274 PolarHBondContact N-O 2.8Å; N258-R274 PolarHBondContact O-N 2.82Å
259	F	97	Very high	92.6	Very high	7 Å²	7	44.1 Å²	44.1	3%	0.031	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	137.8	-179.4	-57.1	-73.5	0	0	0	111.4	N204 A219 I231 L254 P257 F273	N204-F259 WeakPolarHBondContact CB-O 3.23Å; A219-F259 HydrophobicContact CB-CB 4.18Å; A219-F259 HydrophobicContact CB-CD1 3.44Å; A219-F259 VanDerWaalsContact CB-CD1 3.44Å; A219-F259 HydrophobicContact CB-CD2 4.05Å; A219-F259 HydrophobicContact CB-CE1 3.71Å; A219-F259 HydrophobicContact CB-CE2 4.26Å; A219-F259 HydrophobicContact CB-CG 3.62Å; A219-F259 HydrophobicContact CB-CZ 4.1Å; A219-F259 VanDerWaalsContact O-CD2 3.26Å; A219-F259 WeakPolarHBondContact O-CD2 3.42Å; I231-F259 HydrophobicContact CD1-CE1 4.32Å; I231-F259 HydrophobicContact CG1-CE1 4.12Å; I231-F259 HydrophobicContact CG1-CZ 4.46Å; L254-F259 HydrophobicContact CD1-CZ 4.19Å; L254-F259 HydrophobicContact CD2-CE1 4.2Å; L254-F259 HydrophobicContact CD2-CZ 4.27Å; P257-F259 HydrophobicContact CB-CE1 4.04Å; P257-F259 HydrophobicContact CB-CE2 4.2Å; P257-F259 HydrophobicContact CB-CZ 3.85Å; P257-F259 HydrophobicContact CG-CE1 4.14Å; P257-F259 HydrophobicContact CG-CE2 3.68Å; P257-F259 HydrophobicContact CG-CZ 3.45Å; P257-F259 VanDerWaalsContact CG-CZ 3.45Å; F259-F273 HydrophobicContact CD1-CB 3.72Å; F259-F273 HydrophobicContact CD1-CD1 4.2Å; F259-F273 HydrophobicContact CD1-CG 4.03Å; F259-F273 HydrophobicContact CE1-CB 4.35Å; F259-F273 HydrophobicContact CE1-CD1 4.31Å; F259-F273 HydrophobicContact CE1-CG 4.2Å; F259-F273 HydrophobicContact CG-CB 4.43Å
260	V	95.3	Very high	93.1	Very high	30 Å²	30	37.8 Å²	37.8	18%	0.182	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	-60.2	-172.4	171.8	0	0	0	0	110.4	W272 L330 V331 T333	V260-W272 WeakPolarHBondContact CB-O 3.3Å; V260-W272 PolarHBondContact N-O 2.84Å; V260-L330 HydrophobicContact CB-CD2 4.26Å; V260-L330 HydrophobicContact CG1-CD2 4.47Å; V260-L330 HydrophobicContact CG1-CG 4.46Å; V260-L330 HydrophobicContact CG2-CD2 4.17Å; V260-L330 HydrophobicContact CG2-CG 4.14Å; V260-V331 WeakPolarHBondContact CG1-O 3.29Å; V260-T333 HydrophobicContact CG1-CG2 4.39Å
261	T	93.8	Very high	93.6	Very high	35 Å²	35	35.7 Å²	35.7	22%	0.215	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	158.6	177.5	-154.7	0	0	0	0	111.7	F263 W272 T333	T261-F263 HydrophobicContact CG2-CD1 3.79Å; T261-F263 HydrophobicContact CG2-CE1 3.54Å; T261-W272 HydrophobicContact CG2-CB 3.79Å; T261-W272 HydrophobicContact CG2-CG 3.82Å; T261-W272 PolarHBondContact N-O 2.9Å; T261-W272 PolarHBondContact O-N 2.88Å; T261-T333 WeakPolarHBondContact CB-OG1 3.35Å; T261-T333 HydrophobicContact CG2-CG2 4.2Å; T261-T333 WeakPolarHBondContact CG2-OG1 3.46Å
262	S	94.5	Very high	94	Very high	11 Å²	11	29.6 Å²	29.6	8%	0.077	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	132.1	171.4	-64.9	0	0	0	0	109.8	S206 Y270 F271	S206-S262 PolarHBondContact OG-OG 2.97Å; S262-Y270 VanDerWaalsContact CA-O 3.27Å; S262-Y270 WeakPolarHBondContact CA-O 3.39Å; S262-F271 WeakPolarHBondContact OG-CD1 3.29Å
263	F	93.1	Very high	94.7	Very high	30 Å²	30	26 Å²	26	13%	0.132	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	160.6	173.7	51.3	-105.3	0	0	0	110.9	T261 I265 Y270 W272 I349	T261-F263 HydrophobicContact CG2-CD1 3.79Å; T261-F263 HydrophobicContact CG2-CE1 3.54Å; F263-I265 HydrophobicContact CD2-CD1 4.08Å; F263-I265 HydrophobicContact CD2-CG1 3.97Å; F263-I265 HydrophobicContact CE2-CD1 3.59Å; F263-I265 HydrophobicContact CE2-CG1 4.01Å; F263-Y270 PolarHBondContact N-O 3.48Å; F263-Y270 PolarHBondContact O-N 3.1Å; F263-W272 AromaticContact CZ-NE1 3.6Å; F263-I349 HydrophobicContact CE2-CD1 3.92Å; F263-I349 HydrophobicContact CZ-CD1 3.46Å; F263-I349 VanDerWaalsContact CZ-CD1 3.46Å; F263-I349 HydrophobicContact CZ-CG1 3.94Å
264	A	93.4	Very high	95	Very high	31 Å²	31	27.5 Å²	27.5	26%	0.256	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	140	175.2	0	0	0	0	0	111.7	F208 F268 V269	F208-A264 HydrophobicContact CD1-CB 4.16Å; F208-A264 HydrophobicContact CD2-CB 4.23Å; F208-A264 HydrophobicContact CE1-CB 3.58Å; F208-A264 HydrophobicContact CE2-CB 3.65Å; F208-A264 HydrophobicContact CG-CB 4.46Å; F208-A264 HydrophobicContact CZ-CB 3.3Å; A264-F268 VanDerWaalsContact CA-O 3.28Å; A264-F268 WeakPolarHBondContact CA-O 3.04Å; A264-V269 HydrophobicContact CB-CG2 4.32Å
265	I	90.9	Very high	95	Very high	7 Å²	7	27.1 Å²	27.1	4%	0.036	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	118.6	165.7	-65	175.6	0	0	0	105.8	F263 D267 F268 Y270 A336 K347 M370	F263-I265 HydrophobicContact CD2-CD1 4.08Å; F263-I265 HydrophobicContact CD2-CG1 3.97Å; F263-I265 HydrophobicContact CE2-CD1 3.59Å; F263-I265 HydrophobicContact CE2-CG1 4.01Å; I265-D267 PolarHBondContact O-N 2.84Å; I265-F268 PolarHBondContact N-O 2.92Å; I265-F268 PolarHBondContact O-N 3.05Å; I265-F268 VanDerWaalsContact O-N 3.12Å; I265-Y270 HydrophobicContact CB-CD2 4.2Å; I265-Y270 HydrophobicContact CB-CE2 3.93Å; I265-A336 HydrophobicContact CD1-CB 3.88Å; I265-K347 HydrophobicContact CD1-CD 4.3Å; I265-K347 HydrophobicContact CG2-CD 4.42Å; I265-M370 HydrophobicContact CD1-CE 3.74Å; I265-M370 HydrophobicContact CD1-CG 3.85Å; I265-M370 HydrophobicContact CD1-SD 3.69Å
266	D	88.4	Confident	95	Very high	81 Å²	81	27.6 Å²	27.6	43%	0.433	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	54	-123.1	-177.4	-50.7	-45.6	0	0	0	111.4	F268	D266-F268 VanDerWaalsContact C-N 3.31Å; D266-F268 PolarHBondContact O-N 2.86Å
267	D	91.9	Very high	94.6	Very high	103 Å²	103	22.8 Å²	22.8	55%	0.551	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.4	1.1	-177.4	-68.5	-41.3	0	0	0	114.4	I265 R296 C434	I265-D267 PolarHBondContact O-N 2.84Å; D267-R296 VanDerWaalsContact O-CB 3.3Å; D267-R296 WeakPolarHBondContact O-CB 3.45Å; D267-R296 PolarHBondContact O-N 2.96Å; D267-C434 HydrophobicContact CB-CB 4.45Å
268	F	95	Very high	93.4	Very high	19 Å²	19	27.2 Å²	27.2	8%	0.083	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	146.1	-173.7	-60.9	-80.5	0	0	0	112.5	A264 I265 D266 Y270 R293 V294 C434	A264-F268 VanDerWaalsContact CA-O 3.28Å; A264-F268 WeakPolarHBondContact CA-O 3.04Å; I265-F268 PolarHBondContact N-O 2.92Å; I265-F268 PolarHBondContact O-N 3.05Å; I265-F268 VanDerWaalsContact O-N 3.12Å; D266-F268 VanDerWaalsContact C-N 3.31Å; D266-F268 PolarHBondContact O-N 2.86Å; F268-Y270 HydrophobicContact CB-CD2 4.2Å; F268-Y270 HydrophobicContact CB-CE2 3.56Å; F268-R293 HydrophobicContact CD1-CG 4.38Å; F268-V294 WeakPolarHBondContact CA-O 3.5Å; F268-C434 WeakPolarHBondContact CE1-SG 3.43Å
269	V	96.8	Very high	92.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	124	165.4	-175.7	0	0	0	0	108.3	F208 F217 A264 F271 R293 V294 R296	F208-V269 HydrophobicContact CB-CG1 4.22Å; F208-V269 HydrophobicContact CD1-CG1 4.16Å; F208-V269 HydrophobicContact CD1-CG2 3.98Å; F208-V269 HydrophobicContact CE1-CG2 4.24Å; F208-V269 HydrophobicContact CG-CG1 4.41Å; F217-V269 HydrophobicContact CB-CG1 4.15Å; F217-V269 HydrophobicContact CD1-CB 4.12Å; F217-V269 HydrophobicContact CD1-CG1 4.18Å; F217-V269 HydrophobicContact CD1-CG2 3.87Å; F217-V269 HydrophobicContact CD2-CG2 4.12Å; F217-V269 HydrophobicContact CE1-CB 4.32Å; F217-V269 HydrophobicContact CE1-CG2 3.75Å; F217-V269 HydrophobicContact CE2-CG2 4.04Å; F217-V269 HydrophobicContact CG-CB 4.45Å; F217-V269 HydrophobicContact CG-CG1 4.14Å; F217-V269 HydrophobicContact CG-CG2 4.05Å; F217-V269 HydrophobicContact CZ-CG2 3.86Å; A264-V269 HydrophobicContact CB-CG2 4.32Å; V269-F271 HydrophobicContact CB-CE2 4.23Å; V269-F271 HydrophobicContact CB-CZ 4.4Å; V269-F271 HydrophobicContact CG1-CE1 4.34Å; V269-F271 HydrophobicContact CG1-CE2 3.89Å; V269-F271 HydrophobicContact CG1-CZ 3.7Å; V269-R293 VanDerWaalsContact O-CA 3.24Å; V269-R293 WeakPolarHBondContact O-CA 3.46Å; V269-V294 HydrophobicContact CB-CG2 4.08Å; V269-V294 PolarHBondContact N-O 3.37Å; V269-V294 PolarHBondContact O-N 2.9Å; V269-R296 HydrophobicContact CG2-CB 4.42Å
270	Y	97.8	Very high	90.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	140.3	-179	-68.9	-91.6	0	0	0	110.6	S262 F263 I265 F268 V291 A292 R293 M370 I373 E374 F377	S262-Y270 VanDerWaalsContact CA-O 3.27Å; S262-Y270 WeakPolarHBondContact CA-O 3.39Å; F263-Y270 PolarHBondContact N-O 3.48Å; F263-Y270 PolarHBondContact O-N 3.1Å; I265-Y270 HydrophobicContact CB-CD2 4.2Å; I265-Y270 HydrophobicContact CB-CE2 3.93Å; F268-Y270 HydrophobicContact CB-CD2 4.2Å; F268-Y270 HydrophobicContact CB-CE2 3.56Å; Y270-V291 HydrophobicContact CD1-CG2 3.98Å; Y270-A292 CarbonylContact C-O 3.48Å; Y270-A292 VanDerWaalsContact CA-O 3.3Å; Y270-A292 WeakPolarHBondContact CA-O 3.43Å; Y270-R293 HydrophobicContact CD1-CB 3.74Å; Y270-R293 HydrophobicContact CE1-CB 3.76Å; Y270-R293 HydrophobicContact CE1-CG 4.34Å; Y270-R293 HydrophobicContact CG-CB 4.33Å; Y270-R293 PolarHBondContact OH-NH1 3.33Å; Y270-M370 HydrophobicContact CD1-CE 4.21Å; Y270-M370 HydrophobicContact CD2-CE 4.16Å; Y270-M370 HydrophobicContact CE1-CE 3.68Å; Y270-M370 HydrophobicContact CE2-CE 3.61Å; Y270-M370 HydrophobicContact CG-CE 4.43Å; Y270-I373 HydrophobicContact CE1-CG2 3.96Å; Y270-E374 PolarHBondContact OH-OE1 3.03Å; Y270-F377 HydrophobicContact CE1-CE2 4.16Å
271	F	98.3	Very high	89.1	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	123.6	178.4	-58.4	-90.6	0	0	0	109.5	F217 A219 I231 S262 V269 F273 V291 A292 V294	F217-F271 HydrophobicContact CB-CE1 4.41Å; F217-F271 HydrophobicContact CB-CZ 4.11Å; F217-F271 HydrophobicContact CD1-CZ 4.31Å; A219-F271 HydrophobicContact CB-CD1 3.7Å; A219-F271 HydrophobicContact CB-CE1 4.09Å; I231-F271 HydrophobicContact CD1-CB 4.13Å; I231-F271 HydrophobicContact CD1-CD1 4.25Å; I231-F271 HydrophobicContact CD1-CD2 4.11Å; I231-F271 HydrophobicContact CD1-CG 3.9Å; I231-F271 HydrophobicContact CG1-CD1 4.13Å; I231-F271 HydrophobicContact CG1-CE1 4.37Å; I231-F271 HydrophobicContact CG1-CG 4.28Å; I231-F271 HydrophobicContact CG2-CD1 4.22Å; I231-F271 HydrophobicContact CG2-CD2 4.17Å; I231-F271 HydrophobicContact CG2-CE1 3.7Å; I231-F271 HydrophobicContact CG2-CE2 3.62Å; I231-F271 HydrophobicContact CG2-CG 4.44Å; I231-F271 HydrophobicContact CG2-CZ 3.36Å; S262-F271 WeakPolarHBondContact OG-CD1 3.29Å; V269-F271 HydrophobicContact CB-CE2 4.23Å; V269-F271 HydrophobicContact CB-CZ 4.4Å; V269-F271 HydrophobicContact CG1-CE1 4.34Å; V269-F271 HydrophobicContact CG1-CE2 3.89Å; V269-F271 HydrophobicContact CG1-CZ 3.7Å; F271-F273 HydrophobicContact CB-CD1 4.33Å; F271-F273 HydrophobicContact CB-CE1 4.44Å; F271-V291 CarbonylContact O-C 3.46Å; F271-V291 WeakPolarHBondContact O-CA 3.1Å; F271-A292 HydrophobicContact CB-CB 4.44Å; F271-A292 PolarHBondContact N-O 2.82Å; F271-A292 PolarHBondContact O-N 3.35Å; F271-V294 HydrophobicContact CE2-CG1 4.28Å; F271-V294 HydrophobicContact CE2-CG2 3.83Å; F271-V294 HydrophobicContact CZ-CG2 4.47Å
272	W	98.3	Very high	87.6	Confident	0 Å²	0	38 Å²	38	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	126.8	-179.9	-68	74.2	0	0	0	109.4	V260 T261 F263 V291 L315 L330 T333 I349 F368 I373	V260-W272 WeakPolarHBondContact CB-O 3.3Å; V260-W272 PolarHBondContact N-O 2.84Å; T261-W272 HydrophobicContact CG2-CB 3.79Å; T261-W272 HydrophobicContact CG2-CG 3.82Å; T261-W272 PolarHBondContact N-O 2.9Å; T261-W272 PolarHBondContact O-N 2.88Å; F263-W272 AromaticContact CZ-NE1 3.6Å; W272-V291 HydrophobicContact CD2-CB 4.35Å; W272-V291 HydrophobicContact CD2-CG2 4.26Å; W272-V291 HydrophobicContact CH2-CB 4.45Å; W272-V291 HydrophobicContact CZ2-CB 4.23Å; W272-V291 HydrophobicContact CZ2-CG2 3.85Å; W272-L315 HydrophobicContact CE3-CD1 3.5Å; W272-L315 HydrophobicContact CE3-CD2 4.48Å; W272-L315 HydrophobicContact CH2-CD1 4.39Å; W272-L315 HydrophobicContact CH2-CD2 3.89Å; W272-L315 HydrophobicContact CZ3-CD1 3.38Å; W272-L315 HydrophobicContact CZ3-CD2 3.64Å; W272-L315 HydrophobicContact CZ3-CG 4.16Å; W272-L330 HydrophobicContact CB-CD2 3.93Å; W272-L330 HydrophobicContact CE3-CD2 4.05Å; W272-T333 HydrophobicContact CB-CG2 4.25Å; W272-T333 HydrophobicContact CD2-CG2 4.03Å; W272-T333 HydrophobicContact CE3-CG2 3.81Å; W272-T333 HydrophobicContact CG-CG2 4.21Å; W272-I349 HydrophobicContact CH2-CB 4.26Å; W272-I349 HydrophobicContact CH2-CD1 4.16Å; W272-I349 HydrophobicContact CH2-CG2 4.03Å; W272-I349 HydrophobicContact CZ2-CB 4.24Å; W272-I349 HydrophobicContact CZ2-CD1 3.39Å; W272-I349 HydrophobicContact CZ2-CG1 4.42Å; W272-I349 HydrophobicContact CZ2-CG2 4.02Å; W272-I349 HydrophobicContact CZ3-CG2 4.4Å; W272-F368 HydrophobicContact CH2-CB 4.24Å; W272-F368 HydrophobicContact CH2-CD2 4.2Å; W272-F368 HydrophobicContact CH2-CG 4.34Å; W272-F368 HydrophobicContact CZ3-CD2 4.12Å; W272-I373 HydrophobicContact CH2-CD1 3.85Å; W272-I373 HydrophobicContact CZ2-CD1 3.73Å
273	F	98.2	Very high	86.2	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	169.1	-175.5	59.1	-83.3	0	0	0	111.7	L254 P257 N258 F259 F271 E275 R290 A292 K312	L254-F273 HydrophobicContact CD2-CE2 3.93Å; L254-F273 HydrophobicContact CD2-CZ 3.9Å; P257-F273 HydrophobicContact CB-CD2 3.87Å; P257-F273 HydrophobicContact CB-CE2 4.42Å; N258-F273 VanDerWaalsContact O-CA 3.28Å; N258-F273 WeakPolarHBondContact O-CA 3.35Å; N258-F273 VanDerWaalsContact O-CB 3.24Å; N258-F273 WeakPolarHBondContact O-CB 3.44Å; F259-F273 HydrophobicContact CD1-CB 3.72Å; F259-F273 HydrophobicContact CD1-CD1 4.2Å; F259-F273 HydrophobicContact CD1-CG 4.03Å; F259-F273 HydrophobicContact CE1-CB 4.35Å; F259-F273 HydrophobicContact CE1-CD1 4.31Å; F259-F273 HydrophobicContact CE1-CG 4.2Å; F259-F273 HydrophobicContact CG-CB 4.43Å; F271-F273 HydrophobicContact CB-CD1 4.33Å; F271-F273 HydrophobicContact CB-CE1 4.44Å; F273-E275 HydrophobicContact CD2-CB 4.18Å; F273-E275 HydrophobicContact CE2-CB 4.18Å; F273-E275 HydrophobicContact CE2-CG 4.17Å; F273-R290 HydrophobicContact CD1-CB 4.25Å; F273-R290 HydrophobicContact CD2-CB 4Å; F273-R290 HydrophobicContact CD2-CG 4.24Å; F273-R290 HydrophobicContact CE1-CB 3.96Å; F273-R290 HydrophobicContact CE2-CB 3.7Å; F273-R290 HydrophobicContact CE2-CG 3.78Å; F273-R290 HydrophobicContact CG-CB 4.27Å; F273-R290 HydrophobicContact CZ-CB 3.67Å; F273-R290 HydrophobicContact CZ-CG 4.11Å; F273-R290 PolarHBondContact N-O 2.98Å; F273-R290 PolarHBondContact O-N 3.42Å; F273-A292 HydrophobicContact CE1-CB 3.73Å; F273-A292 HydrophobicContact CZ-CB 4.28Å; F273-K312 HydrophobicContact CZ-CD 4.36Å
274	R	97	Very high	85	Confident	41 Å²	41	41.3 Å²	41.3	16%	0.155	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	142.7	165.6	63.1	-177.8	-178.5	-70.2	-6.3	109.4	P257 N258 M287 Y288 L330	P257-R274 CarbonylContact C-O 3.52Å; P257-R274 VanDerWaalsContact CA-O 3.28Å; P257-R274 WeakPolarHBondContact CA-O 3.32Å; N258-R274 HydrophobicContact CB-CG 3.89Å; N258-R274 VanDerWaalsContact CB-CZ 3.43Å; N258-R274 PolarHBondContact N-O 2.8Å; N258-R274 PolarHBondContact O-N 2.82Å; R274-M287 HydrophobicContact CB-CE 4Å; R274-M287 HydrophobicContact CG-CE 3.73Å; R274-Y288 CarbonylContact C-O 3.5Å; R274-Y288 VanDerWaalsContact CA-O 3.3Å; R274-Y288 WeakPolarHBondContact CA-O 3.28Å; R274-L330 WeakPolarHBondContact CD-O 3.42Å; R274-L330 PolarHBondContact NH1-O 2.74Å
275	E	95.5	Very high	84.3	Confident	3 Å²	3	47 Å²	47	1%	0.014	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	161.7	-179.1	68	173.6	177.2	0	0	111.3	N255 P257 F273 S277 M287 Y288 R290 K312	N255-E275 PolarHBondContact N-OE2 3.38Å; N255-E275 WeakPolarHBondContact O-CB 3.45Å; P257-E275 HydrophobicContact CB-CB 4.3Å; F273-E275 HydrophobicContact CD2-CB 4.18Å; F273-E275 HydrophobicContact CE2-CB 4.18Å; F273-E275 HydrophobicContact CE2-CG 4.17Å; E275-S277 PolarHBondContact O-N 2.99Å; E275-M287 CarbonylContact O-C 3.6Å; E275-M287 WeakPolarHBondContact O-CA 3.18Å; E275-Y288 PolarHBondContact N-O 2.98Å; E275-Y288 PolarHBondContact O-N 2.89Å; E275-R290 HydrophobicContact CG-CG 3.91Å; E275-R290 IonicContact OE1-CZ 3.91Å; E275-R290 IonicContact OE1-NE 3.75Å; E275-R290 PolarHBondContact OE1-NE 3.33Å; E275-R290 IonicContact OE1-NH2 3.77Å; E275-R290 PolarHBondContact OE1-NH2 2.79Å; E275-R290 VanDerWaalsContact OE1-NH2 3.14Å; E275-K312 VanDerWaalsContact CD-NZ 3.27Å; E275-K312 WeakPolarHBondContact OE1-CE 3.46Å; E275-K312 IonicContact OE1-NZ 2.89Å; E275-K312 PolarHBondContact OE1-NZ 2.78Å; E275-K312 IonicContact OE2-NZ 3.41Å; E275-K312 PolarHBondContact OE2-NZ 2.97Å
276	V	92.3	Very high	84.1	Confident	14 Å²	14	48.5 Å²	48.5	9%	0.085	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	128.1	170.1	178.9	0	0	0	0	108.3	N255 E256 Y278 K285 M287	N255-V276 WeakPolarHBondContact CB-O 3.39Å; N255-V276 WeakPolarHBondContact ND2-CB 3.41Å; N255-V276 PolarHBondContact ND2-O 3.4Å; N255-V276 PolarHBondContact O-N 3.21Å; E256-V276 HydrophobicContact CB-CG2 4Å; V276-Y278 HydrophobicContact CG1-CE1 4.47Å; V276-Y278 HydrophobicContact CG1-CE2 3.99Å; V276-K285 HydrophobicContact CG1-CB 4.5Å; V276-M287 HydrophobicContact CB-SD 4.26Å; V276-M287 HydrophobicContact CG2-SD 3.52Å; V276-M287 VanDerWaalsContact CG2-SD 3.52Å
277	S	85.6	Confident	84.2	Confident	3 Å²	3	46.6 Å²	46.6	2%	0.021	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	136.7	178.4	-178.5	0	0	0	0	111.2	E275 E279 T286 Y288	E275-S277 PolarHBondContact O-N 2.99Å; S277-E279 WeakPolarHBondContact OG-CG 3.18Å; S277-E279 PolarHBondContact OG-N 3.21Å; S277-T286 PolarHBondContact N-O 2.73Å; S277-T286 PolarHBondContact O-OG1 3.11Å; S277-Y288 VanDerWaalsContact OG-CD2 3.26Å; S277-Y288 WeakPolarHBondContact OG-CD2 3.49Å; S277-Y288 WeakPolarHBondContact OG-CE2 3.35Å
278	Y	71.5	Confident	84.3	Confident	109 Å²	109	42.6 Å²	42.6	43%	0.427	25%	0.245	S	C	.	.			trans	-116.3	20.6	169.9	-63.5	-71	0	0	0	112	N255 V276 K280 K285	N255-Y278 WeakPolarHBondContact ND2-CD2 3.44Å; N255-Y278 WeakPolarHBondContact ND2-CE2 3.42Å; V276-Y278 HydrophobicContact CG1-CE1 4.47Å; V276-Y278 HydrophobicContact CG1-CE2 3.99Å; Y278-K280 PolarHBondContact O-N 3.44Å; Y278-K285 HydrophobicContact CE1-CG 4.21Å
279	E	71.5	Confident	84.4	Confident	27 Å²	27	41.7 Å²	41.7	13%	0.126	24%	0.241	C	C	.	.	S	Bend	trans	-59	-20	-178.9	-74.5	176.7	-145	0	0	114.2	S277 P281 R290 K383 L454	S277-E279 WeakPolarHBondContact OG-CG 3.18Å; S277-E279 PolarHBondContact OG-N 3.21Å; E279-P281 WeakPolarHBondContact O-CD 3.07Å; E279-R290 IonicContact OE1-CZ 3.94Å; E279-R290 IonicContact OE1-NH1 2.65Å; E279-R290 PolarHBondContact OE1-NH1 2.96Å; E279-R290 IonicContact OE1-NH2 3.17Å; E279-R290 PolarHBondContact OE1-NH2 3.15Å; E279-K383 HydrophobicContact CG-CD 4.17Å; E279-K383 WeakPolarHBondContact OE2-CE 3.33Å; E279-K383 IonicContact OE2-NZ 3.69Å; E279-K383 PolarHBondContact OE2-NZ 3.04Å; E279-L454 HydrophobicContact CG-CD2 3.81Å; E279-L454 VanDerWaalsContact OE1-CD2 3.25Å; E279-L454 WeakPolarHBondContact OE1-CD2 3.48Å
280	K	66.5	Low	84.5	Confident	130 Å²	130	41.9 Å²	41.9	57%	0.565	24%	0.242	S	C	*	.	S	Bend	trans	-114.9	91.4	171.3	-74.8	-176.7	179.9	-179.7	0	108.9	Y278 G282 S283	Y278-K280 PolarHBondContact O-N 3.44Å; K280-G282 PolarHBondContact O-N 3.24Å; K280-S283 VanDerWaalsContact CB-OG 3.3Å; K280-S283 WeakPolarHBondContact CB-OG 3.17Å; K280-S283 PolarHBondContact O-N 3.44Å; K280-S283 PolarHBondContact O-OG 2.87Å
281	P	59.9	Low	84.5	Confident	101 Å²	101	41.9 Å²	41.9	66%	0.656	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	126.9	174.9	-21.3	30.4	0	0	0	110.1	E279 P386	E279-P281 WeakPolarHBondContact O-CD 3.07Å; P281-P386 HydrophobicContact CG-CG 4.02Å
282	G	62.7	Low	84.5	Confident	89 Å²	89	41.9 Å²	41.9	92%	0.918	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	94.3	-7.5	178	0	0	0	0	0	116.3	K280 G284	K280-G282 PolarHBondContact O-N 3.24Å; G282-G284 VanDerWaalsContact C-N 3.29Å; G282-G284 PolarHBondContact O-N 2.85Å
283	S	65.2	Low	84.4	Confident	61 Å²	61	42.2 Å²	42.2	43%	0.427	24%	0.243	S	C	.	.	S	Bend	trans	-86.9	13.1	178.9	67.3	0	0	0	0	114.9	K280	K280-S283 VanDerWaalsContact CB-OG 3.3Å; K280-S283 WeakPolarHBondContact CB-OG 3.17Å; K280-S283 PolarHBondContact O-N 3.44Å; K280-S283 PolarHBondContact O-OG 2.87Å
284	G	69.2	Low	84.2	Confident	48 Å²	48	42.2 Å²	42.2	50%	0.495	24%	0.243	S	C	.	.			trans	74.2	-176.4	-172.5	0	0	0	0	0	113.2	G282 T286	G282-G284 VanDerWaalsContact C-N 3.29Å; G282-G284 PolarHBondContact O-N 2.85Å; G284-T286 PolarHBondContact O-N 3.23Å
285	K	78.7	Confident	84.2	Confident	151 Å²	151	40.4 Å²	40.4	66%	0.657	24%	0.237	S	C	*	.			trans	-72.7	118.9	174.4	-70.2	-171.1	176.7	-166.4	0	109	V276 Y278	V276-K285 HydrophobicContact CG1-CB 4.5Å; Y278-K285 HydrophobicContact CE1-CG 4.21Å
286	T	85	Confident	84.1	Confident	39 Å²	39	42.9 Å²	42.9	24%	0.239	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	137.3	174.9	52.5	0	0	0	0	109.8	S277 G284	S277-T286 PolarHBondContact N-O 2.73Å; S277-T286 PolarHBondContact O-OG1 3.11Å; G284-T286 PolarHBondContact O-N 3.23Å
287	M	90.6	Very high	84.1	Confident	41 Å²	41	44.9 Å²	44.9	20%	0.202	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	144.1	171.8	-70.4	-64.2	-69.7	0	0	109.7	R274 E275 V276 D328	R274-M287 HydrophobicContact CB-CE 4Å; R274-M287 HydrophobicContact CG-CE 3.73Å; E275-M287 CarbonylContact O-C 3.6Å; E275-M287 WeakPolarHBondContact O-CA 3.18Å; V276-M287 HydrophobicContact CB-SD 4.26Å; V276-M287 HydrophobicContact CG2-SD 3.52Å; V276-M287 VanDerWaalsContact CG2-SD 3.52Å; M287-D328 WeakPolarHBondContact O-CB 3.37Å
288	Y	94.5	Very high	84.5	Confident	18 Å²	18	44.9 Å²	44.9	7%	0.071	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	140.6	167.4	-73.9	-27.1	0	0	0	111.6	R274 E275 S277 R314 D328	R274-Y288 CarbonylContact C-O 3.5Å; R274-Y288 VanDerWaalsContact CA-O 3.3Å; R274-Y288 WeakPolarHBondContact CA-O 3.28Å; E275-Y288 PolarHBondContact N-O 2.98Å; E275-Y288 PolarHBondContact O-N 2.89Å; S277-Y288 VanDerWaalsContact OG-CD2 3.26Å; S277-Y288 WeakPolarHBondContact OG-CD2 3.49Å; S277-Y288 WeakPolarHBondContact OG-CE2 3.35Å; Y288-R314 HydrophobicContact CG-CG 4.38Å; Y288-D328 CarbonylContact C-O 3.53Å; Y288-D328 HydrophobicContact CD1-CB 4.28Å; Y288-D328 WeakPolarHBondContact CD1-OD1 3.32Å
289	A	97.7	Very high	85.5	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	138.9	166.7	0	0	0	0	0	110.7	L315 D328 L330 F353	A289-L315 HydrophobicContact CB-CB 4.08Å; A289-L315 HydrophobicContact CB-CD1 4.11Å; A289-L315 PolarHBondContact O-N 2.84Å; A289-D328 PolarHBondContact N-O 3.19Å; A289-D328 VanDerWaalsContact N-O 3.1Å; A289-L330 HydrophobicContact CB-CB 3.78Å; A289-F353 HydrophobicContact CB-CD1 4.12Å; A289-F353 HydrophobicContact CB-CE1 3.6Å
290	R	97.6	Very high	86.4	Confident	4 Å²	4	44.7 Å²	44.7	2%	0.015	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	145.4	-174.7	-59.2	-62	-167.1	-169.7	-3.8	111.3	F273 E275 E279 A313	F273-R290 HydrophobicContact CD1-CB 4.25Å; F273-R290 HydrophobicContact CD2-CB 4Å; F273-R290 HydrophobicContact CD2-CG 4.24Å; F273-R290 HydrophobicContact CE1-CB 3.96Å; F273-R290 HydrophobicContact CE2-CB 3.7Å; F273-R290 HydrophobicContact CE2-CG 3.78Å; F273-R290 HydrophobicContact CG-CB 4.27Å; F273-R290 HydrophobicContact CZ-CB 3.67Å; F273-R290 HydrophobicContact CZ-CG 4.11Å; F273-R290 PolarHBondContact N-O 2.98Å; F273-R290 PolarHBondContact O-N 3.42Å; E275-R290 HydrophobicContact CG-CG 3.91Å; E275-R290 IonicContact OE1-CZ 3.91Å; E275-R290 IonicContact OE1-NE 3.75Å; E275-R290 PolarHBondContact OE1-NE 3.33Å; E275-R290 IonicContact OE1-NH2 3.77Å; E275-R290 PolarHBondContact OE1-NH2 2.79Å; E275-R290 VanDerWaalsContact OE1-NH2 3.14Å; E279-R290 IonicContact OE1-CZ 3.94Å; E279-R290 IonicContact OE1-NH1 2.65Å; E279-R290 PolarHBondContact OE1-NH1 2.96Å; E279-R290 IonicContact OE1-NH2 3.17Å; E279-R290 PolarHBondContact OE1-NH2 3.15Å; R290-A313 VanDerWaalsContact CA-O 3.31Å; R290-A313 WeakPolarHBondContact CA-O 3.34Å; R290-A313 VanDerWaalsContact CD-O 3.32Å; R290-A313 WeakPolarHBondContact CD-O 3.25Å
291	V	98.3	Very high	87.3	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	133.7	155	60.1	0	0	0	0	107.4	Y270 F271 W272 K312 A313 L315 I373 F377 V459	Y270-V291 HydrophobicContact CD1-CG2 3.98Å; F271-V291 CarbonylContact O-C 3.46Å; F271-V291 WeakPolarHBondContact O-CA 3.1Å; W272-V291 HydrophobicContact CD2-CB 4.35Å; W272-V291 HydrophobicContact CD2-CG2 4.26Å; W272-V291 HydrophobicContact CH2-CB 4.45Å; W272-V291 HydrophobicContact CZ2-CB 4.23Å; W272-V291 HydrophobicContact CZ2-CG2 3.85Å; V291-K312 CarbonylContact O-C 3.55Å; V291-K312 WeakPolarHBondContact O-CA 3.46Å; V291-A313 HydrophobicContact CG1-CB 4.31Å; V291-A313 PolarHBondContact N-O 3.38Å; V291-A313 PolarHBondContact O-N 3.24Å; V291-L315 HydrophobicContact CB-CD1 4.47Å; V291-L315 HydrophobicContact CB-CD2 4.12Å; V291-L315 HydrophobicContact CB-CG 4.4Å; V291-L315 HydrophobicContact CG1-CD2 3.78Å; V291-L315 HydrophobicContact CG1-CG 4.27Å; V291-I373 HydrophobicContact CG1-CG2 4.18Å; V291-I373 HydrophobicContact CG2-CG2 4.39Å; V291-F377 HydrophobicContact CG1-CZ 4.08Å; V291-V459 HydrophobicContact CG1-CG2 4.06Å
292	A	97.7	Very high	88.2	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	160.6	169.4	0	0	0	0	0	109.9	Y270 F271 F273 F310 V311 K312	Y270-A292 CarbonylContact C-O 3.48Å; Y270-A292 VanDerWaalsContact CA-O 3.3Å; Y270-A292 WeakPolarHBondContact CA-O 3.43Å; F271-A292 HydrophobicContact CB-CB 4.44Å; F271-A292 PolarHBondContact N-O 2.82Å; F271-A292 PolarHBondContact O-N 3.35Å; F273-A292 HydrophobicContact CE1-CB 3.73Å; F273-A292 HydrophobicContact CZ-CB 4.28Å; A292-F310 HydrophobicContact CB-CE2 3.79Å; A292-F310 HydrophobicContact CB-CZ 4.06Å; A292-V311 CarbonylContact C-O 3.55Å; A292-V311 WeakPolarHBondContact CA-O 3.23Å; A292-V311 WeakPolarHBondContact CB-O 3.48Å; A292-K312 HydrophobicContact CB-CB 3.77Å
293	R	96.4	Very high	88.9	Confident	8 Å²	8	46.3 Å²	46.3	3%	0.03	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	158.7	171.1	71	175.2	-177.4	-173.3	-1.5	112.4	F268 V269 Y270 V311 F377 R431	F268-R293 HydrophobicContact CD1-CG 4.38Å; V269-R293 VanDerWaalsContact O-CA 3.24Å; V269-R293 WeakPolarHBondContact O-CA 3.46Å; Y270-R293 HydrophobicContact CD1-CB 3.74Å; Y270-R293 HydrophobicContact CE1-CB 3.76Å; Y270-R293 HydrophobicContact CE1-CG 4.34Å; Y270-R293 HydrophobicContact CG-CB 4.33Å; Y270-R293 PolarHBondContact OH-NH1 3.33Å; R293-V311 HydrophobicContact CG-CG1 3.67Å; R293-V311 PolarHBondContact N-O 2.77Å; R293-V311 PolarHBondContact O-N 2.74Å; R293-F377 HydrophobicContact CB-CE2 4.34Å; R293-F377 HydrophobicContact CG-CD2 4.02Å; R293-F377 HydrophobicContact CG-CE2 3.85Å; R293-F377 HydrophobicContact CG-CZ 4.31Å; R293-F377 VanDerWaalsContact NH2-CB 3.31Å; R293-R431 PolarHBondContact NH2-O 3.09Å
294	V	95.8	Very high	89.2	Confident	0 Å²	0	51 Å²	51	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	155.2	169	-57.8	0	0	0	0	109.2	F217 F268 V269 F271 W307 F310	F217-V294 HydrophobicContact CD1-CG2 4.26Å; F217-V294 HydrophobicContact CE1-CG2 4.09Å; F268-V294 WeakPolarHBondContact CA-O 3.5Å; V269-V294 HydrophobicContact CB-CG2 4.08Å; V269-V294 PolarHBondContact N-O 3.37Å; V269-V294 PolarHBondContact O-N 2.9Å; F271-V294 HydrophobicContact CE2-CG1 4.28Å; F271-V294 HydrophobicContact CE2-CG2 3.83Å; F271-V294 HydrophobicContact CZ-CG2 4.47Å; V294-W307 HydrophobicContact CB-CD2 4.45Å; V294-W307 HydrophobicContact CB-CE3 3.94Å; V294-W307 HydrophobicContact CB-CH2 4.31Å; V294-W307 HydrophobicContact CB-CZ3 3.86Å; V294-W307 HydrophobicContact CG1-CD2 3.96Å; V294-W307 HydrophobicContact CG1-CE3 3.95Å; V294-W307 HydrophobicContact CG1-CG 4.39Å; V294-W307 HydrophobicContact CG1-CH2 4.47Å; V294-W307 HydrophobicContact CG1-CZ3 4.21Å; V294-W307 HydrophobicContact CG2-CE3 4.37Å; V294-W307 HydrophobicContact CG2-CH2 3.85Å; V294-W307 HydrophobicContact CG2-CZ2 4.49Å; V294-W307 HydrophobicContact CG2-CZ3 3.8Å; V294-F310 HydrophobicContact CG1-CB 4.26Å; V294-F310 HydrophobicContact CG1-CD2 3.99Å
295	C	95.1	Very high	89.9	Confident	3 Å²	3	52.2 Å²	52.2	2%	0.02	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	130.5	169.2	-80.2	0	0	0	0	110.6	N297 D298 S309 C434	C295-N297 PolarHBondContact O-N 2.88Å; C295-D298 HydrophobicContact CB-CB 4.14Å; C295-D298 WeakPolarHBondContact O-CB 3.22Å; C295-D298 PolarHBondContact O-N 2.98Å; C295-D298 VanDerWaalsContact O-N 3.14Å; C295-S309 PolarHBondContact N-OG 3.47Å; C295-C434 WeakPolarHBondContact CA-SG 3.27Å; C295-C434 HydrophobicContact CB-CB 3.77Å; C295-C434 WeakPolarHBondContact CB-SG 3.48Å; C295-C434 WeakPolarHBondContact SG-CA 3.49Å; C295-C434 WeakPolarHBondContact SG-CB 3.31Å; C295-C434 CovalentContact SG-SG 2.05Å; C295-C434 PolarHBondContact SG-SG 2.9Å
296	R	94.1	Very high	90.5	Very high	55 Å²	55	46.8 Å²	46.8	21%	0.208	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-37.1	178.4	-175.3	175.9	172.4	-170.8	-6.7	111.1	S210 E212 F217 K233 D267 V269	S210-R296 PolarHBondContact OG-NH2 2.89Å; E212-R296 IonicContact OE2-CZ 2.79Å; E212-R296 IonicContact OE2-NH1 3.41Å; E212-R296 IonicContact OE2-NH2 2.62Å; E212-R296 PolarHBondContact OE2-NH2 3.46Å; F217-R296 HydrophobicContact CE2-CG 4.43Å; F217-R296 HydrophobicContact CZ-CG 4.11Å; K233-R296 PolarHBondContact NZ-O 3.44Å; D267-R296 VanDerWaalsContact O-CB 3.3Å; D267-R296 WeakPolarHBondContact O-CB 3.45Å; D267-R296 PolarHBondContact O-N 2.96Å; V269-R296 HydrophobicContact CG2-CB 4.42Å
297	N	92.8	Very high	90.9	Very high	55 Å²	55	45.3 Å²	45.3	29%	0.294	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	6.3	-179.6	71.4	-9.3	0	0	0	114.6	C295 R299 C434 V435	C295-N297 PolarHBondContact O-N 2.88Å; N297-R299 WeakPolarHBondContact O-CG 3.49Å; N297-R299 PolarHBondContact O-N 3.16Å; N297-C434 WeakPolarHBondContact OD1-CB 3.26Å; N297-V435 PolarHBondContact ND2-O 3.32Å
298	D	93.6	Very high	90.8	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.021	19%	0.19	C	C	.	.			trans	-56.8	135.2	177.6	-162.8	-22.7	0	0	0	109.7	K233 L244 C295 G300 W307 T308 S309 S438	K233-D298 PolarHBondContact NZ-O 2.79Å; L244-D298 HydrophobicContact CD1-CB 4.27Å; L244-D298 WeakPolarHBondContact CD1-O 3.23Å; C295-D298 HydrophobicContact CB-CB 4.14Å; C295-D298 WeakPolarHBondContact O-CB 3.22Å; C295-D298 PolarHBondContact O-N 2.98Å; C295-D298 VanDerWaalsContact O-N 3.14Å; D298-G300 PolarHBondContact OD1-N 2.85Å; D298-W307 HydrophobicContact CB-CE3 4Å; D298-W307 HydrophobicContact CB-CZ3 3.96Å; D298-T308 VanDerWaalsContact CG-OG1 3.23Å; D298-T308 PolarHBondContact OD1-OG1 2.88Å; D298-T308 PolarHBondContact OD2-N 3.21Å; D298-T308 PolarHBondContact OD2-OG1 3.38Å; D298-S309 WeakPolarHBondContact OD2-CB 3.4Å; D298-S309 PolarHBondContact OD2-N 2.89Å; D298-S309 PolarHBondContact OD2-OG 2.84Å; D298-S438 WeakPolarHBondContact OD1-CB 3.27Å; D298-S438 PolarHBondContact OD1-OG 3.18Å; D298-S438 VanDerWaalsContact OD1-OG 3.1Å
299	R	91.6	Very high	90.7	Very high	131 Å²	131	43.5 Å²	43.5	49%	0.494	19%	0.193	S	C	.	.			trans	-119.1	7.9	-179.3	-62.3	-172.2	176	-176	-1.4	112	N297 D437 S438 R439	N297-R299 WeakPolarHBondContact O-CG 3.49Å; N297-R299 PolarHBondContact O-N 3.16Å; R299-D437 IonicContact NH1-OD2 3.76Å; R299-S438 WeakPolarHBondContact CA-OG 3.48Å; R299-S438 PolarHBondContact N-OG 3.16Å; R299-R439 HydrophobicContact CB-CG 4.03Å; R299-R439 VanDerWaalsContact NH1-NH2 3.18Å
300	G	91.1	Very high	90.5	Very high	0 Å²	0	44 Å²	44	0%	0	20%	0.195	C	C	.	.			trans	70.2	-154.3	-175	0	0	0	0	0	112.6	D298 N306 S438 R439	D298-G300 PolarHBondContact OD1-N 2.85Å; G300-N306 WeakPolarHBondContact CA-O 3.4Å; G300-S438 PolarHBondContact N-OG 3.36Å; G300-S438 VanDerWaalsContact N-OG 3.1Å; G300-S438 CarbonylContact O-C 3.6Å; G300-S438 PolarHBondContact O-OG 3.13Å; G300-R439 PolarHBondContact O-N 2.89Å
301	T	85.3	Confident	90.3	Very high	34 Å²	34	44.5 Å²	44.5	21%	0.209	20%	0.199	C	C	.	.			trans	-102.2	168.7	177.7	68.3	0	0	0	0	110.7	K303 R304 T308 V446	T301-K303 PolarHBondContact O-N 3.13Å; T301-K303 VanDerWaalsContact O-N 3.16Å; T301-K303 PolarHBondContact OG1-N 2.95Å; T301-R304 PolarHBondContact N-O 3.21Å; T301-R304 VanDerWaalsContact N-O 3.08Å; T301-R304 WeakPolarHBondContact OG1-CA 3.28Å; T301-R304 WeakPolarHBondContact OG1-CB 3.01Å; T301-R304 PolarHBondContact OG1-N 3.1Å; T301-R304 PolarHBondContact OG1-O 3.26Å; T301-T308 HydrophobicContact CG2-CG2 3.67Å; T301-V446 HydrophobicContact CG2-CG1 3.7Å
302	K	79	Confident	90.2	Very high	160 Å²	160	44.8 Å²	44.8	70%	0.696	20%	0.2	S	C	*	.	S	Bend	trans	-59.9	-24.6	173.5	-67.3	178.4	-178.4	170.7	0	114	R439	K302-R439 WeakPolarHBondContact CE-O 3.46Å; K302-R439 HydrophobicContact CG-CB 4.05Å; K302-R439 WeakPolarHBondContact CG-O 3.33Å
303	K	77.1	Confident	90.1	Very high	160 Å²	160	44.8 Å²	44.8	70%	0.696	20%	0.2	S	C	*	.	S	Bend	trans	-112	-18.9	-169.5	-66.4	172.7	-179.3	157.7	0	113.7	T301 E443	T301-K303 PolarHBondContact O-N 3.13Å; T301-K303 VanDerWaalsContact O-N 3.16Å; T301-K303 PolarHBondContact OG1-N 2.95Å; K303-E443 IonicContact NZ-OE1 3.65Å; K303-E443 PolarHBondContact NZ-OE1 3.41Å; K303-E443 IonicContact NZ-OE2 2.64Å
304	R	71.8	Confident	90.1	Very high	161 Å²	161	46.4 Å²	46.4	61%	0.608	21%	0.206	S	C	*	.			trans	-143.4	138.1	-171.6	-62.2	-174.8	-179	178.5	2.2	111.1	T301 N306	T301-R304 PolarHBondContact N-O 3.21Å; T301-R304 VanDerWaalsContact N-O 3.08Å; T301-R304 WeakPolarHBondContact OG1-CA 3.28Å; T301-R304 WeakPolarHBondContact OG1-CB 3.01Å; T301-R304 PolarHBondContact OG1-N 3.1Å; T301-R304 PolarHBondContact OG1-O 3.26Å; R304-N306 HydrophobicContact CB-CB 4.43Å; R304-N306 PolarHBondContact O-N 3.48Å
305	D	83.2	Confident	90.2	Very high	73 Å²	73	46.4 Å²	46.4	39%	0.39	21%	0.206	S	C	.	.			trans	-83.7	44.9	175.8	-62.3	-34.7	0	0	0	111.7	G243 L244 R245	G243-D305 WeakPolarHBondContact O-CB 3.31Å; L244-D305 WeakPolarHBondContact CA-O 3.28Å; L244-D305 HydrophobicContact CD2-CB 4.37Å; R245-D305 PolarHBondContact N-O 3.14Å
306	N	91.3	Very high	90.2	Very high	37 Å²	37	48.7 Å²	48.7	20%	0.198	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-116.3	148.4	-177	-60.8	36.9	0	0	0	109.8	R245 D247 G300 R304 T308	R245-N306 WeakPolarHBondContact O-CA 3.41Å; D247-N306 PolarHBondContact OD1-ND2 3.23Å; G300-N306 WeakPolarHBondContact CA-O 3.4Å; R304-N306 HydrophobicContact CB-CB 4.43Å; R304-N306 PolarHBondContact O-N 3.48Å; N306-T308 PolarHBondContact O-N 2.75Å
307	W	93.2	Very high	90.4	Very high	8 Å²	8	46.1 Å²	46.1	3%	0.03	21%	0.208	C	C	.	.			trans	-55.4	136.3	177.8	-63	111.3	0	0	0	112.3	F217 I231 K233 L244 V294 D298 F310 T450	F217-W307 HydrophobicContact CD1-CH2 4.02Å; F217-W307 AromaticContact CE1-CH2 3.83Å; F217-W307 HydrophobicContact CE1-CH2 3.83Å; F217-W307 HydrophobicContact CE1-CZ3 4.47Å; I231-W307 HydrophobicContact CG2-CZ2 4.18Å; I231-W307 PolarHBondContact O-NE1 2.79Å; K233-W307 HydrophobicContact CB-CH2 3.34Å; K233-W307 HydrophobicContact CB-CZ2 3.62Å; K233-W307 HydrophobicContact CB-CZ3 4.4Å; K233-W307 HydrophobicContact CD-CH2 3.87Å; K233-W307 HydrophobicContact CD-CZ3 4.23Å; K233-W307 HydrophobicContact CG-CH2 4.19Å; L244-W307 HydrophobicContact CB-CD2 4.29Å; L244-W307 HydrophobicContact CB-CE3 4.33Å; L244-W307 HydrophobicContact CB-CH2 4.3Å; L244-W307 HydrophobicContact CB-CZ2 4.21Å; L244-W307 HydrophobicContact CB-CZ3 4.34Å; L244-W307 HydrophobicContact CD1-CE3 4.09Å; L244-W307 HydrophobicContact CD1-CZ3 3.99Å; V294-W307 HydrophobicContact CB-CD2 4.45Å; V294-W307 HydrophobicContact CB-CE3 3.94Å; V294-W307 HydrophobicContact CB-CH2 4.31Å; V294-W307 HydrophobicContact CB-CZ3 3.86Å; V294-W307 HydrophobicContact CG1-CD2 3.96Å; V294-W307 HydrophobicContact CG1-CE3 3.95Å; V294-W307 HydrophobicContact CG1-CG 4.39Å; V294-W307 HydrophobicContact CG1-CH2 4.47Å; V294-W307 HydrophobicContact CG1-CZ3 4.21Å; V294-W307 HydrophobicContact CG2-CE3 4.37Å; V294-W307 HydrophobicContact CG2-CH2 3.85Å; V294-W307 HydrophobicContact CG2-CZ2 4.49Å; V294-W307 HydrophobicContact CG2-CZ3 3.8Å; D298-W307 HydrophobicContact CB-CE3 4Å; D298-W307 HydrophobicContact CB-CZ3 3.96Å; W307-F310 HydrophobicContact CB-CB 3.77Å; W307-F310 HydrophobicContact CG-CB 4.31Å; W307-T450 WeakPolarHBondContact O-CG2 3.27Å
308	T	90.3	Very high	90.4	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.018	20%	0.2	C	C	.	.	S	Bend	trans	-99.6	-22.2	170	60.6	0	0	0	0	111.9	D298 T301 N306 S438 V446 M449	D298-T308 VanDerWaalsContact CG-OG1 3.23Å; D298-T308 PolarHBondContact OD1-OG1 2.88Å; D298-T308 PolarHBondContact OD2-N 3.21Å; D298-T308 PolarHBondContact OD2-OG1 3.38Å; T301-T308 HydrophobicContact CG2-CG2 3.67Å; N306-T308 PolarHBondContact O-N 2.75Å; T308-S438 VanDerWaalsContact OG1-CB 3.29Å; T308-S438 WeakPolarHBondContact OG1-CB 3.49Å; T308-V446 HydrophobicContact CG2-CG1 4.09Å; T308-V446 HydrophobicContact CG2-CG2 4.18Å; T308-M449 WeakPolarHBondContact O-CE 3.28Å
309	S	91.7	Very high	90.3	Very high	17 Å²	17	45.3 Å²	45.3	12%	0.119	21%	0.207	C	C	.	.	S	Bend	trans	-105.5	2.3	-172.9	59.7	0	0	0	0	115.1	C295 D298 V311	C295-S309 PolarHBondContact N-OG 3.47Å; D298-S309 WeakPolarHBondContact OD2-CB 3.4Å; D298-S309 PolarHBondContact OD2-N 2.89Å; D298-S309 PolarHBondContact OD2-OG 2.84Å; S309-V311 PolarHBondContact O-N 2.99Å
310	F	93.5	Very high	90.1	Very high	12 Å²	12	42.9 Å²	42.9	5%	0.053	21%	0.209	C	C	.	.			trans	-66.7	122.3	-176.2	179.6	-91.5	0	0	0	112.1	I231 T246 L253 A292 V294 W307 K312 P453	I231-F310 HydrophobicContact CD1-CD2 4.41Å; I231-F310 HydrophobicContact CD1-CE2 3.59Å; I231-F310 HydrophobicContact CD1-CZ 4.41Å; T246-F310 HydrophobicContact CG2-CD2 4.3Å; T246-F310 HydrophobicContact CG2-CE2 4.41Å; L253-F310 HydrophobicContact CB-CE1 4.41Å; L253-F310 HydrophobicContact CD2-CD1 3.45Å; L253-F310 VanDerWaalsContact CD2-CD1 3.45Å; L253-F310 HydrophobicContact CD2-CE1 3.62Å; L253-F310 HydrophobicContact CD2-CG 4.44Å; A292-F310 HydrophobicContact CB-CE2 3.79Å; A292-F310 HydrophobicContact CB-CZ 4.06Å; V294-F310 HydrophobicContact CG1-CB 4.26Å; V294-F310 HydrophobicContact CG1-CD2 3.99Å; W307-F310 HydrophobicContact CB-CB 3.77Å; W307-F310 HydrophobicContact CG-CB 4.31Å; F310-K312 HydrophobicContact CE1-CB 4.47Å; F310-K312 HydrophobicContact CE1-CD 4.41Å; F310-K312 HydrophobicContact CE1-CG 4.43Å; F310-K312 HydrophobicContact CZ-CB 4.33Å; F310-K312 HydrophobicContact CZ-CD 4.4Å; F310-P453 HydrophobicContact CD1-CB 3.74Å; F310-P453 HydrophobicContact CE1-CB 3.89Å
311	V	93	Very high	89.9	Confident	14 Å²	14	45.4 Å²	45.4	9%	0.085	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	146	174.1	64.3	0	0	0	0	110.2	A292 R293 S309 F377 F382 P453 V455	A292-V311 CarbonylContact C-O 3.55Å; A292-V311 WeakPolarHBondContact CA-O 3.23Å; A292-V311 WeakPolarHBondContact CB-O 3.48Å; R293-V311 HydrophobicContact CG-CG1 3.67Å; R293-V311 PolarHBondContact N-O 2.77Å; R293-V311 PolarHBondContact O-N 2.74Å; S309-V311 PolarHBondContact O-N 2.99Å; V311-F377 HydrophobicContact CB-CD1 4.26Å; V311-F377 HydrophobicContact CB-CE1 4.43Å; V311-F377 HydrophobicContact CG1-CB 4.49Å; V311-F377 HydrophobicContact CG1-CD1 3.61Å; V311-F377 HydrophobicContact CG1-CE1 3.86Å; V311-F377 HydrophobicContact CG1-CG 4.03Å; V311-F377 HydrophobicContact CG1-CZ 4.46Å; V311-F377 HydrophobicContact CG2-CD1 3.68Å; V311-F377 HydrophobicContact CG2-CE1 4.02Å; V311-F382 HydrophobicContact CG2-CE1 4.16Å; V311-P453 CarbonylContact C-O 3.55Å; V311-P453 WeakPolarHBondContact CA-O 3.42Å; V311-P453 WeakPolarHBondContact CG2-O 3.26Å; V311-V455 HydrophobicContact CG2-CG1 3.74Å
312	K	95.7	Very high	90	Very high	5 Å²	5	52.3 Å²	52.3	2%	0.022	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	148	177.8	70.4	176.6	179.4	-179.8	0	113.1	N252 L253 F273 E275 V291 A292 F310 P453 L454 V455	N252-K312 WeakPolarHBondContact O-CE 3.34Å; N252-K312 PolarHBondContact O-NZ 2.56Å; L253-K312 WeakPolarHBondContact O-CE 3.32Å; L253-K312 PolarHBondContact O-NZ 2.78Å; F273-K312 HydrophobicContact CZ-CD 4.36Å; E275-K312 VanDerWaalsContact CD-NZ 3.27Å; E275-K312 WeakPolarHBondContact OE1-CE 3.46Å; E275-K312 IonicContact OE1-NZ 2.89Å; E275-K312 PolarHBondContact OE1-NZ 2.78Å; E275-K312 IonicContact OE2-NZ 3.41Å; E275-K312 PolarHBondContact OE2-NZ 2.97Å; V291-K312 CarbonylContact O-C 3.55Å; V291-K312 WeakPolarHBondContact O-CA 3.46Å; A292-K312 HydrophobicContact CB-CB 3.77Å; F310-K312 HydrophobicContact CE1-CB 4.47Å; F310-K312 HydrophobicContact CE1-CD 4.41Å; F310-K312 HydrophobicContact CE1-CG 4.43Å; F310-K312 HydrophobicContact CZ-CB 4.33Å; F310-K312 HydrophobicContact CZ-CD 4.4Å; K312-P453 PolarHBondContact N-O 2.98Å; K312-L454 HydrophobicContact CG-CB 4.39Å; K312-L454 HydrophobicContact CG-CD1 4.06Å; K312-L454 WeakPolarHBondContact O-CA 3.23Å; K312-V455 WeakPolarHBondContact O-CG2 3.45Å; K312-V455 PolarHBondContact O-N 2.65Å
313	A	96.1	Very high	90.3	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	153	179.4	0	0	0	0	0	111.1	R290 V291 T376 F377 V455 V459	R290-A313 VanDerWaalsContact CA-O 3.31Å; R290-A313 WeakPolarHBondContact CA-O 3.34Å; R290-A313 VanDerWaalsContact CD-O 3.32Å; R290-A313 WeakPolarHBondContact CD-O 3.25Å; V291-A313 HydrophobicContact CG1-CB 4.31Å; V291-A313 PolarHBondContact N-O 3.38Å; V291-A313 PolarHBondContact O-N 3.24Å; A313-T376 HydrophobicContact CB-CG2 4.29Å; A313-F377 HydrophobicContact CB-CD1 4.32Å; A313-F377 HydrophobicContact CB-CE1 3.65Å; A313-F377 HydrophobicContact CB-CZ 4.12Å; A313-V455 HydrophobicContact CB-CG2 3.36Å; A313-V459 HydrophobicContact CB-CG2 3.82Å
314	R	96.5	Very high	90.9	Very high	42 Å²	42	47.6 Å²	47.6	16%	0.158	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	138.9	169.4	-175	176.6	178.2	-158.8	-1.8	109.5	Y288 D328 A458 V459	Y288-R314 HydrophobicContact CG-CG 4.38Å; R314-D328 IonicContact CZ-OD1 3.82Å; R314-D328 IonicContact NE-OD1 3.12Å; R314-D328 IonicContact NH2-OD1 3.86Å; R314-D328 PolarHBondContact NH2-OD1 3.24Å; R314-D328 IonicContact NH2-OD2 2.98Å; R314-A458 HydrophobicContact CB-CB 3.95Å; R314-A458 HydrophobicContact CG-CB 4.26Å; R314-A458 CarbonylContact O-C 3.41Å; R314-A458 VanDerWaalsContact O-CA 3.27Å; R314-A458 WeakPolarHBondContact O-CA 3.19Å; R314-V459 PolarHBondContact O-N 3.02Å
315	L	98	Very high	91.8	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	130.6	167.7	-65.6	164.3	0	0	0	109.6	W272 A289 V291 L330 F353 F368 V459	W272-L315 HydrophobicContact CE3-CD1 3.5Å; W272-L315 HydrophobicContact CE3-CD2 4.48Å; W272-L315 HydrophobicContact CH2-CD1 4.39Å; W272-L315 HydrophobicContact CH2-CD2 3.89Å; W272-L315 HydrophobicContact CZ3-CD1 3.38Å; W272-L315 HydrophobicContact CZ3-CD2 3.64Å; W272-L315 HydrophobicContact CZ3-CG 4.16Å; A289-L315 HydrophobicContact CB-CB 4.08Å; A289-L315 HydrophobicContact CB-CD1 4.11Å; A289-L315 PolarHBondContact O-N 2.84Å; V291-L315 HydrophobicContact CB-CD1 4.47Å; V291-L315 HydrophobicContact CB-CD2 4.12Å; V291-L315 HydrophobicContact CB-CG 4.4Å; V291-L315 HydrophobicContact CG1-CD2 3.78Å; V291-L315 HydrophobicContact CG1-CG 4.27Å; L315-L330 HydrophobicContact CD1-CD2 4.38Å; L315-F353 HydrophobicContact CB-CE1 4.41Å; L315-F353 HydrophobicContact CD1-CE1 4.46Å; L315-F353 HydrophobicContact CD1-CZ 4.37Å; L315-F368 HydrophobicContact CB-CE1 4.14Å; L315-F368 HydrophobicContact CB-CZ 3.97Å; L315-F368 HydrophobicContact CD2-CD1 3.9Å; L315-F368 HydrophobicContact CD2-CD2 4.36Å; L315-F368 HydrophobicContact CD2-CE1 3.87Å; L315-F368 HydrophobicContact CD2-CE2 4.35Å; L315-F368 HydrophobicContact CD2-CG 4.15Å; L315-F368 HydrophobicContact CD2-CZ 4.11Å; L315-V459 HydrophobicContact CD2-CB 4.18Å; L315-V459 HydrophobicContact CD2-CG1 4.5Å; L315-V459 HydrophobicContact CD2-CG2 4.48Å
316	N	96.1	Very high	92.3	Very high	51 Å²	51	44.4 Å²	44.4	27%	0.273	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	93	177.2	-175.6	14	0	0	0	111.4	S318 A458 V459	N316-S318 PolarHBondContact OD1-OG 3.02Å; N316-A458 HydrophobicContact CB-CB 4.06Å; N316-V459 WeakPolarHBondContact CB-O 3.32Å; N316-V459 PolarHBondContact N-O 3.24Å
317	C	96.7	Very high	92.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.227	C	C	.	.			trans	-104.3	101.9	165.1	-171.2	0	0	0	0	108.9	F327 F353 C366 F368	C317-F327 HydrophobicContact CB-CB 4.44Å; C317-F327 PolarHBondContact O-N 3.02Å; C317-F353 HydrophobicContact CB-CB 4.49Å; C317-F353 HydrophobicContact CB-CD1 4.01Å; C317-F353 HydrophobicContact CB-CD2 3.87Å; C317-F353 HydrophobicContact CB-CE1 4.15Å; C317-F353 HydrophobicContact CB-CE2 4.06Å; C317-F353 HydrophobicContact CB-CG 3.86Å; C317-F353 HydrophobicContact CB-CZ 4.19Å; C317-C366 WeakPolarHBondContact CA-SG 3.31Å; C317-C366 HydrophobicContact CB-CB 3.74Å; C317-C366 WeakPolarHBondContact CB-SG 3.16Å; C317-C366 WeakPolarHBondContact SG-CB 2.81Å; C317-C366 CovalentContact SG-SG 2.04Å; C317-C366 PolarHBondContact SG-SG 3.39Å; C317-F368 HydrophobicContact CB-CZ 4.44Å
318	S	94	Very high	92.5	Very high	18 Å²	18	43.1 Å²	43.1	13%	0.126	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	146.2	-179.2	54.5	0	0	0	0	112.9	N316 H325 P466	N316-S318 PolarHBondContact OD1-OG 3.02Å; S318-H325 CarbonylContact C-O 3.49Å; S318-H325 WeakPolarHBondContact CA-O 2.91Å; S318-H325 VanDerWaalsContact CB-O 3.31Å; S318-H325 WeakPolarHBondContact CB-O 3.42Å; S318-P466 WeakPolarHBondContact O-CD 3.42Å
319	S	90.5	Very high	92.7	Very high	24 Å²	24	44.7 Å²	44.7	17%	0.168	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	132.7	168.9	-66.2	0	0	0	0	110	P324 H325	S319-P324 WeakPolarHBondContact O-CA 3.18Å; S319-H325 PolarHBondContact N-O 2.65Å; S319-H325 PolarHBondContact O-N 3.21Å
320	P	88.6	Confident	93	Very high	81 Å²	81	43.9 Å²	43.9	53%	0.526	23%	0.231	S	C	.	.			trans	-68.1	150.6	-179.5	29.3	-35.4	0	0	0	111.4
321	G	85.7	Confident	93.1	Very high	53 Å²	53	45.6 Å²	45.6	55%	0.546	24%	0.242	S	C	.	.	S	Bend	trans	166.2	173.8	179.2	0	0	0	0	0	110.7	F323	G321-F323 PolarHBondContact O-N 2.96Å
322	E	87.2	Confident	93.2	Very high	178 Å²	178	45.1 Å²	45.1	83%	0.832	24%	0.24	S	C	*	.	S	Bend	trans	-56.7	-37.7	174.4	-172.2	-179.1	-178.7	0	0	111.3
323	F	86.5	Confident	93.3	Very high	171 Å²	171	45.8 Å²	45.8	75%	0.75	24%	0.244	S	C	*	.	S	Bend	trans	-119.6	99.5	168.4	-61.1	-80.1	0	0	0	108.6	G321 H325	G321-F323 PolarHBondContact O-N 2.96Å; F323-H325 PolarHBondContact O-N 2.88Å
324	P	89.7	Confident	93.2	Very high	51 Å²	51	46.1 Å²	46.1	33%	0.331	25%	0.246	S	C	.	.			trans	-60.3	135.4	-178.3	-23.6	32.8	0	0	0	111.7	S319 Y326	S319-P324 WeakPolarHBondContact O-CA 3.18Å; P324-Y326 HydrophobicContact CB-CE2 3.88Å; P324-Y326 WeakPolarHBondContact O-CD2 3.41Å; P324-Y326 WeakPolarHBondContact O-CE2 3.47Å
325	H	90.8	Very high	92.7	Very high	80 Å²	80	48.2 Å²	48.2	37%	0.37	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	115	174.5	-177.2	66	0	0	0	109.5	S318 S319 F323 F327 S362	S318-H325 CarbonylContact C-O 3.49Å; S318-H325 WeakPolarHBondContact CA-O 2.91Å; S318-H325 VanDerWaalsContact CB-O 3.31Å; S318-H325 WeakPolarHBondContact CB-O 3.42Å; S319-H325 PolarHBondContact N-O 2.65Å; S319-H325 PolarHBondContact O-N 3.21Å; F323-H325 PolarHBondContact O-N 2.88Å; H325-F327 AromaticContact CD2-CE1 3.83Å; H325-F327 AromaticContact CD2-CE2 3.68Å; H325-F327 AromaticContact CD2-CZ 3.37Å; H325-F327 WeakPolarHBondContact CD2-CZ 3.41Å; H325-F327 AromaticContact NE2-CE1 3.77Å; H325-F327 AromaticContact NE2-CZ 3.82Å; H325-S362 PolarHBondContact NE2-OG 2.79Å
326	Y	92.3	Very high	92.3	Very high	87 Å²	87	49.8 Å²	49.8	34%	0.341	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	134.9	-175.2	-66.9	-86.7	0	0	0	112.1	P324	P324-Y326 HydrophobicContact CB-CE2 3.88Å; P324-Y326 WeakPolarHBondContact O-CD2 3.41Å; P324-Y326 WeakPolarHBondContact O-CE2 3.47Å
327	F	95.2	Very high	92	Very high	1 Å²	1	47.7 Å²	47.7	0%	0.004	26%	0.26	C	S	.	.			trans	-105.9	88.7	171.3	-55.4	-94.7	0	0	0	108.3	C317 H325 F353 S362 A364 P466 V469	C317-F327 HydrophobicContact CB-CB 4.44Å; C317-F327 PolarHBondContact O-N 3.02Å; H325-F327 AromaticContact CD2-CE1 3.83Å; H325-F327 AromaticContact CD2-CE2 3.68Å; H325-F327 AromaticContact CD2-CZ 3.37Å; H325-F327 WeakPolarHBondContact CD2-CZ 3.41Å; H325-F327 AromaticContact NE2-CE1 3.77Å; H325-F327 AromaticContact NE2-CZ 3.82Å; F327-F353 HydrophobicContact CB-CB 3.51Å; F327-F353 HydrophobicContact CB-CG 4.43Å; F327-F353 WeakPolarHBondContact O-CD1 3.49Å; F327-S362 WeakPolarHBondContact CE1-OG 3.3Å; F327-A364 HydrophobicContact CB-CB 4.27Å; F327-A364 HydrophobicContact CD1-CB 3.59Å; F327-A364 HydrophobicContact CD2-CB 3.61Å; F327-A364 HydrophobicContact CE1-CB 3.67Å; F327-A364 HydrophobicContact CE2-CB 3.7Å; F327-A364 HydrophobicContact CG-CB 3.56Å; F327-A364 HydrophobicContact CZ-CB 3.72Å; F327-P466 HydrophobicContact CD2-CG 4.38Å; F327-P466 HydrophobicContact CE2-CG 4.04Å; F327-V469 HydrophobicContact CE1-CG1 4.36Å; F327-V469 HydrophobicContact CE2-CG2 4.39Å; F327-V469 HydrophobicContact CZ-CG1 3.81Å; F327-V469 HydrophobicContact CZ-CG2 4.1Å
328	D	93.7	Very high	91.6	Very high	17 Å²	17	50.5 Å²	50.5	9%	0.091	28%	0.278	C	S	.	.			trans	-94.1	-8.6	-171.1	-68.8	-54.1	0	0	0	113.9	M287 Y288 A289 R314 L330 N354 P356	M287-D328 WeakPolarHBondContact O-CB 3.37Å; Y288-D328 CarbonylContact C-O 3.53Å; Y288-D328 HydrophobicContact CD1-CB 4.28Å; Y288-D328 WeakPolarHBondContact CD1-OD1 3.32Å; A289-D328 PolarHBondContact N-O 3.19Å; A289-D328 VanDerWaalsContact N-O 3.1Å; R314-D328 IonicContact CZ-OD1 3.82Å; R314-D328 IonicContact NE-OD1 3.12Å; R314-D328 IonicContact NH2-OD1 3.86Å; R314-D328 PolarHBondContact NH2-OD1 3.24Å; R314-D328 IonicContact NH2-OD2 2.98Å; D328-L330 PolarHBondContact O-N 2.9Å; D328-N354 PolarHBondContact N-O 3.08Å; D328-P356 HydrophobicContact CB-CG 4.01Å
329	E	95.3	Very high	91	Very high	35 Å²	35	53 Å²	53	16%	0.164	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	88.9	177.8	-64	-175.2	165.5	0	0	111.4	V331 F353 N354 P356 R476	E329-V331 PolarHBondContact O-N 3.15Å; E329-F353 CarbonylContact O-C 2.74Å; E329-F353 WeakPolarHBondContact O-CA 3.18Å; E329-N354 HydrophobicContact CB-CB 4.16Å; E329-N354 WeakPolarHBondContact CB-O 3.48Å; E329-N354 PolarHBondContact N-O 3.14Å; E329-N354 VanDerWaalsContact N-O 3.09Å; E329-N354 PolarHBondContact O-N 3.34Å; E329-P356 HydrophobicContact CG-CG 4.37Å; E329-R476 IonicContact OE2-NH2 3.2Å; E329-R476 PolarHBondContact OE2-NH2 3.38Å
330	L	97.9	Very high	90.1	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	127.4	170.4	-178.1	72.6	0	0	0	110.7	V260 W272 R274 A289 L315 D328 T333 F353	V260-L330 HydrophobicContact CB-CD2 4.26Å; V260-L330 HydrophobicContact CG1-CD2 4.47Å; V260-L330 HydrophobicContact CG1-CG 4.46Å; V260-L330 HydrophobicContact CG2-CD2 4.17Å; V260-L330 HydrophobicContact CG2-CG 4.14Å; W272-L330 HydrophobicContact CB-CD2 3.93Å; W272-L330 HydrophobicContact CE3-CD2 4.05Å; R274-L330 WeakPolarHBondContact CD-O 3.42Å; R274-L330 PolarHBondContact NH1-O 2.74Å; A289-L330 HydrophobicContact CB-CB 3.78Å; L315-L330 HydrophobicContact CD1-CD2 4.38Å; D328-L330 PolarHBondContact O-N 2.9Å; L330-T333 HydrophobicContact CD1-CG2 4.07Å; L330-T333 HydrophobicContact CD2-CG2 4.33Å; L330-F353 HydrophobicContact CB-CD1 4.16Å; L330-F353 HydrophobicContact CB-CE1 4.01Å; L330-F353 HydrophobicContact CD1-CD1 4.11Å; L330-F353 HydrophobicContact CD1-CD2 4.44Å; L330-F353 HydrophobicContact CD1-CE1 3.63Å; L330-F353 HydrophobicContact CD1-CE2 3.97Å; L330-F353 HydrophobicContact CD1-CG 4.49Å; L330-F353 HydrophobicContact CD1-CZ 3.53Å; L330-F353 HydrophobicContact CG-CE1 4.39Å
331	V	95.6	Very high	88.9	Confident	49 Å²	49	55.4 Å²	55.4	30%	0.297	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	-41.1	-177.6	-175.4	0	0	0	0	112.5	V260 E329 V352 N354 T478	V260-V331 WeakPolarHBondContact CG1-O 3.29Å; E329-V331 PolarHBondContact O-N 3.15Å; V331-V352 HydrophobicContact CB-CG1 4.47Å; V331-V352 PolarHBondContact N-O 2.77Å; V331-N354 VanDerWaalsContact CG2-ND2 3.32Å; V331-N354 WeakPolarHBondContact CG2-ND2 3.27Å; V331-T478 WeakPolarHBondContact CG1-O 3.44Å
332	S	96	Very high	87.5	Confident	4 Å²	4	55.7 Å²	55.7	3%	0.028	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	165.3	-179.9	53.9	0	0	0	0	111.7	V352 T478 Q479	S332-V352 PolarHBondContact O-N 3.22Å; S332-V352 VanDerWaalsContact OG-CB 3.23Å; S332-V352 WeakPolarHBondContact OG-CB 3.38Å; S332-V352 WeakPolarHBondContact OG-CG2 3.15Å; S332-T478 WeakPolarHBondContact CB-O 3.46Å; S332-T478 PolarHBondContact OG-O 3.44Å; S332-Q479 WeakPolarHBondContact OG-CA 3.47Å; S332-Q479 PolarHBondContact OG-OE1 2.79Å
333	T	96.5	Very high	85.9	Confident	18 Å²	18	55.5 Å²	55.5	11%	0.11	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	153.5	174.3	62.5	0	0	0	0	109.6	V260 T261 W272 L330 I349 Y350	V260-T333 HydrophobicContact CG1-CG2 4.39Å; T261-T333 WeakPolarHBondContact CB-OG1 3.35Å; T261-T333 HydrophobicContact CG2-CG2 4.2Å; T261-T333 WeakPolarHBondContact CG2-OG1 3.46Å; W272-T333 HydrophobicContact CB-CG2 4.25Å; W272-T333 HydrophobicContact CD2-CG2 4.03Å; W272-T333 HydrophobicContact CE3-CG2 3.81Å; W272-T333 HydrophobicContact CG-CG2 4.21Å; L330-T333 HydrophobicContact CD1-CG2 4.07Å; L330-T333 HydrophobicContact CD2-CG2 4.33Å; T333-I349 HydrophobicContact CG2-CG2 4.34Å; T333-Y350 CarbonylContact C-O 3.6Å; T333-Y350 WeakPolarHBondContact CA-O 3.42Å
334	S	93.8	Very high	84.5	Confident	7 Å²	7	53.8 Å²	53.8	5%	0.049	30%	0.299	C	S	.	.			trans	-69.7	171.6	163.1	70.9	0	0	0	0	110.8	Y350	S334-Y350 PolarHBondContact N-O 2.77Å; S334-Y350 PolarHBondContact OG-N 2.87Å
335	E	87.1	Confident	83.4	Confident	87 Å²	87	58 Å²	58	41%	0.407	31%	0.314	S	S	.	.			trans	-68.8	171.9	158.6	-67.2	149.9	153.5	0	0	110.6	Q94 V337	Q94-E335 WeakPolarHBondContact CG-OE1 3.41Å; Q94-E335 PolarHBondContact NE2-OE1 3.46Å; Q94-E335 PolarHBondContact NE2-OE2 3.48Å; Q94-E335 PolarHBondContact OE1-OE1 2.79Å; E335-V337 PolarHBondContact O-N 2.82Å
336	A	89.6	Confident	83	Confident	33 Å²	33	55 Å²	55	27%	0.273	30%	0.302	S	S	.	.			trans	-73.1	110.5	178.1	0	0	0	0	0	110.1	I265 K347 I349	I265-A336 HydrophobicContact CD1-CB 3.88Å; A336-K347 HydrophobicContact CB-CB 4.16Å; A336-K347 HydrophobicContact CB-CD 3.93Å; A336-K347 HydrophobicContact CB-CG 4.38Å; A336-I349 HydrophobicContact CB-CG1 4.48Å
337	V	89.8	Confident	83	Confident	8 Å²	8	53.3 Å²	53.3	5%	0.048	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	126.1	-179.4	171.9	0	0	0	0	109	E335 K347 L348 Y350 I482 P484	E335-V337 PolarHBondContact O-N 2.82Å; V337-K347 CarbonylContact O-C 3.05Å; V337-K347 VanDerWaalsContact O-CA 3.23Å; V337-K347 WeakPolarHBondContact O-CA 3.41Å; V337-L348 PolarHBondContact N-O 2.83Å; V337-L348 PolarHBondContact O-N 2.79Å; V337-Y350 HydrophobicContact CB-CE2 4.19Å; V337-Y350 HydrophobicContact CG1-CE2 4.37Å; V337-Y350 HydrophobicContact CG2-CD2 4.27Å; V337-Y350 HydrophobicContact CG2-CE2 4.16Å; V337-I482 HydrophobicContact CG2-CB 3.95Å; V337-I482 HydrophobicContact CG2-CG1 4.2Å; V337-I482 HydrophobicContact CG2-CG2 3.85Å; V337-P484 HydrophobicContact CG1-CB 3.57Å
338	P	87.2	Confident	82.9	Confident	59 Å²	59	54.2 Å²	54.2	38%	0.383	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	146.6	172.3	-21.3	33	0	0	0	111.4	H485	P338-H485 PolarHBondContact O-CE1 3.21Å; P338-H485 PolarHBondContact O-NE2 2.78Å
339	L	81.1	Confident	83	Confident	71 Å²	71	53.4 Å²	53.4	37%	0.372	30%	0.297	S	S	.	.	S	Bend	trans	-79.1	-31.4	175.7	-97.8	99.1	0	0	0	113.2	S346 L348 H485	L339-S346 VanDerWaalsContact CD1-O 3.22Å; L339-S346 WeakPolarHBondContact CD1-O 3.27Å; L339-S346 WeakPolarHBondContact CD1-OG 3.35Å; L339-S346 PolarHBondContact N-O 2.75Å; L339-L348 HydrophobicContact CD1-CD1 4.38Å; L339-L348 HydrophobicContact CD1-CD2 4.18Å; L339-L348 HydrophobicContact CD1-CG 3.63Å; L339-L348 HydrophobicContact CG-CD1 4.05Å; L339-L348 HydrophobicContact CG-CG 3.86Å; L339-H485 VanDerWaalsContact C-CE1 3.44Å; L339-H485 PolarHBondContact O-CE1 3.22Å
340	D	72.8	Confident	83.1	Confident	63 Å²	63	52.5 Å²	52.5	34%	0.337	29%	0.292	S	S	.	.	S	Bend	trans	-139.4	167.8	174.2	68.9	17.7	0	0	0	109.5	S342	D340-S342 PolarHBondContact O-N 2.74Å; D340-S342 WeakPolarHBondContact OD1-CA 3.4Å; D340-S342 WeakPolarHBondContact OD1-CB 3.39Å; D340-S342 PolarHBondContact OD1-N 3.43Å; D340-S342 VanDerWaalsContact OD1-O 3.06Å; D340-S342 PolarHBondContact OD1-OG 2.79Å; D340-S342 WeakPolarHBondContact OD2-CB 3.46Å; D340-S342 PolarHBondContact OD2-OG 2.94Å
341	S	63.4	Low	83.1	Confident	91 Å²	91	52.5 Å²	52.5	64%	0.636	29%	0.292	S	S	*	.	S	Bend	trans	-73.7	2.7	172.4	-31.4	0	0	0	0	112.8
342	S	56.4	Low	83.2	Confident	59 Å²	59	50.2 Å²	50.2	41%	0.413	28%	0.278	S	S	.	.	S	Bend	trans	-90.9	163.6	-178.1	98.6	0	0	0	0	110.8	D340 L344	D340-S342 PolarHBondContact O-N 2.74Å; D340-S342 WeakPolarHBondContact OD1-CA 3.4Å; D340-S342 WeakPolarHBondContact OD1-CB 3.39Å; D340-S342 PolarHBondContact OD1-N 3.43Å; D340-S342 VanDerWaalsContact OD1-O 3.06Å; D340-S342 PolarHBondContact OD1-OG 2.79Å; D340-S342 WeakPolarHBondContact OD2-CB 3.46Å; D340-S342 PolarHBondContact OD2-OG 2.94Å; S342-L344 PolarHBondContact O-N 2.95Å; S342-L344 VanDerWaalsContact O-N 3.14Å; S342-L344 PolarHBondContact OG-N 3.2Å
343	L	53.9	Low	83.3	Confident	174 Å²	174	50 Å²	50	91%	0.911	28%	0.277	S	S	*	.	S	Bend	trans	-73	-0.7	-175.5	-69.7	165.5	0	0	0	113.6	Q345	L343-Q345 PolarHBondContact O-N 2.62Å
344	L	56.3	Low	83.3	Confident	136 Å²	136	49.4 Å²	49.4	71%	0.712	27%	0.273	S	S	*	.			trans	-72.2	101.1	175.2	-83.4	156.4	0	0	0	108.8	S342 S346	S342-L344 PolarHBondContact O-N 2.95Å; S342-L344 VanDerWaalsContact O-N 3.14Å; S342-L344 PolarHBondContact OG-N 3.2Å; L344-S346 PolarHBondContact O-N 3.06Å
345	Q	67.3	Low	83.2	Confident	138 Å²	138	49.1 Å²	49.1	65%	0.645	27%	0.271	S	S	*	.			trans	-57	8.4	-166.5	-68.5	173.2	-40.5	0	0	117.9	L343 K347	L343-Q345 PolarHBondContact O-N 2.62Å; Q345-K347 PolarHBondContact O-N 2.82Å
346	S	82	Confident	83	Confident	18 Å²	18	47 Å²	47	13%	0.126	27%	0.265	C	S	.	.			trans	-67.5	127.7	-178.8	-162.4	0	0	0	0	109.7	L339 L344 D371	L339-S346 VanDerWaalsContact CD1-O 3.22Å; L339-S346 WeakPolarHBondContact CD1-O 3.27Å; L339-S346 WeakPolarHBondContact CD1-OG 3.35Å; L339-S346 PolarHBondContact N-O 2.75Å; L344-S346 PolarHBondContact O-N 3.06Å; S346-D371 WeakPolarHBondContact CB-OD1 3.49Å; S346-D371 PolarHBondContact OG-OD1 2.95Å; S346-D371 PolarHBondContact OG-OD2 3.34Å
347	K	91.5	Very high	82	Confident	52 Å²	52	51.6 Å²	51.6	23%	0.226	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	146.3	-177	-67.1	161.4	-171.1	169.1	0	110.5	I265 A336 V337 Q345 M370	I265-K347 HydrophobicContact CD1-CD 4.3Å; I265-K347 HydrophobicContact CG2-CD 4.42Å; A336-K347 HydrophobicContact CB-CB 4.16Å; A336-K347 HydrophobicContact CB-CD 3.93Å; A336-K347 HydrophobicContact CB-CG 4.38Å; V337-K347 CarbonylContact O-C 3.05Å; V337-K347 VanDerWaalsContact O-CA 3.23Å; V337-K347 WeakPolarHBondContact O-CA 3.41Å; Q345-K347 PolarHBondContact O-N 2.82Å; K347-M370 HydrophobicContact CB-CG 3.91Å; K347-M370 PolarHBondContact O-N 3.47Å
348	L	93.5	Very high	80.9	Confident	20 Å²	20	53.8 Å²	53.8	11%	0.105	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	144.4	169.4	-73.2	172.2	0	0	0	110.6	V337 L339 Y350 A367 F368 R369 A462	V337-L348 PolarHBondContact N-O 2.83Å; V337-L348 PolarHBondContact O-N 2.79Å; L339-L348 HydrophobicContact CD1-CD1 4.38Å; L339-L348 HydrophobicContact CD1-CD2 4.18Å; L339-L348 HydrophobicContact CD1-CG 3.63Å; L339-L348 HydrophobicContact CG-CD1 4.05Å; L339-L348 HydrophobicContact CG-CG 3.86Å; L348-Y350 HydrophobicContact CB-CE2 4.07Å; L348-Y350 HydrophobicContact CD1-CE2 4.49Å; L348-A367 HydrophobicContact CD2-CB 4.31Å; L348-F368 WeakPolarHBondContact CA-O 3.45Å; L348-R369 HydrophobicContact CD2-CB 4.36Å; L348-R369 HydrophobicContact CD2-CG 3.48Å; L348-R369 VanDerWaalsContact CD2-CG 3.48Å; L348-A462 HydrophobicContact CD2-CB 3.92Å
349	I	96.2	Very high	80.1	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	122.5	167.2	-63.3	156.5	0	0	0	107.4	F263 W272 T333 A336 A367 F368 M370	F263-I349 HydrophobicContact CE2-CD1 3.92Å; F263-I349 HydrophobicContact CZ-CD1 3.46Å; F263-I349 VanDerWaalsContact CZ-CD1 3.46Å; F263-I349 HydrophobicContact CZ-CG1 3.94Å; W272-I349 HydrophobicContact CH2-CB 4.26Å; W272-I349 HydrophobicContact CH2-CD1 4.16Å; W272-I349 HydrophobicContact CH2-CG2 4.03Å; W272-I349 HydrophobicContact CZ2-CB 4.24Å; W272-I349 HydrophobicContact CZ2-CD1 3.39Å; W272-I349 HydrophobicContact CZ2-CG1 4.42Å; W272-I349 HydrophobicContact CZ2-CG2 4.02Å; W272-I349 HydrophobicContact CZ3-CG2 4.4Å; T333-I349 HydrophobicContact CG2-CG2 4.34Å; A336-I349 HydrophobicContact CB-CG1 4.48Å; I349-A367 CarbonylContact O-C 3.54Å; I349-A367 WeakPolarHBondContact O-CA 3.49Å; I349-F368 PolarHBondContact N-O 2.92Å; I349-F368 PolarHBondContact O-N 2.85Å; I349-M370 HydrophobicContact CD1-CG 4.25Å; I349-M370 HydrophobicContact CD1-SD 3.25Å; I349-M370 WeakPolarHBondContact CD1-SD 3.39Å; I349-M370 HydrophobicContact CG1-SD 4.32Å
350	Y	97.5	Very high	80	Confident	16 Å²	16	61.5 Å²	61.5	6%	0.063	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	124.3	174.9	-64.1	-98.1	0	0	0	108.7	T333 S334 V337 L348 I365 A367 L467 I482 D495 M497	T333-Y350 CarbonylContact C-O 3.6Å; T333-Y350 WeakPolarHBondContact CA-O 3.42Å; S334-Y350 PolarHBondContact N-O 2.77Å; S334-Y350 PolarHBondContact OG-N 2.87Å; V337-Y350 HydrophobicContact CB-CE2 4.19Å; V337-Y350 HydrophobicContact CG1-CE2 4.37Å; V337-Y350 HydrophobicContact CG2-CD2 4.27Å; V337-Y350 HydrophobicContact CG2-CE2 4.16Å; L348-Y350 HydrophobicContact CB-CE2 4.07Å; L348-Y350 HydrophobicContact CD1-CE2 4.49Å; Y350-I365 HydrophobicContact CD1-CG2 4.42Å; Y350-A367 HydrophobicContact CD1-CB 3.88Å; Y350-A367 HydrophobicContact CE1-CB 3.91Å; Y350-A367 HydrophobicContact CG-CB 4.4Å; Y350-L467 HydrophobicContact CD1-CD1 3.67Å; Y350-L467 HydrophobicContact CE1-CD1 3.46Å; Y350-L467 VanDerWaalsContact CE1-CD1 3.46Å; Y350-I482 HydrophobicContact CD1-CD1 4.14Å; Y350-I482 HydrophobicContact CD2-CD1 3.73Å; Y350-I482 HydrophobicContact CD2-CG1 3.74Å; Y350-I482 HydrophobicContact CE2-CD1 4.21Å; Y350-I482 HydrophobicContact CE2-CG1 4.28Å; Y350-I482 HydrophobicContact CE2-CG2 4.38Å; Y350-I482 HydrophobicContact CG-CD1 3.7Å; Y350-I482 HydrophobicContact CG-CG1 4.14Å; Y350-D495 PolarHBondContact OH-OD2 3.16Å; Y350-M497 HydrophobicContact CD1-SD 3.81Å; Y350-M497 HydrophobicContact CE1-SD 3.89Å
351	G	98.1	Very high	80.6	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	139.8	177.1	0	0	0	0	0	111.9	F353 I365 C366	G351-F353 VanDerWaalsContact O-CD2 3.29Å; G351-F353 WeakPolarHBondContact O-CD2 3.34Å; G351-F353 WeakPolarHBondContact O-CE2 3.09Å; G351-I365 WeakPolarHBondContact O-CA 3.39Å; G351-C366 PolarHBondContact N-O 2.84Å; G351-C366 PolarHBondContact O-N 2.86Å; G351-C366 VanDerWaalsContact O-N 3.08Å
352	V	98.2	Very high	82	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	120.8	169.9	-178.6	0	0	0	0	109	V331 S332 I365 F477 I480	V331-V352 HydrophobicContact CB-CG1 4.47Å; V331-V352 PolarHBondContact N-O 2.77Å; S332-V352 PolarHBondContact O-N 3.22Å; S332-V352 VanDerWaalsContact OG-CB 3.23Å; S332-V352 WeakPolarHBondContact OG-CB 3.38Å; S332-V352 WeakPolarHBondContact OG-CG2 3.15Å; V352-I365 HydrophobicContact CB-CD1 4.21Å; V352-I365 HydrophobicContact CG1-CD1 4.28Å; V352-I365 HydrophobicContact CG2-CD1 3.7Å; V352-F477 HydrophobicContact CG1-CB 3.31Å; V352-F477 HydrophobicContact CG1-CD2 4.5Å; V352-F477 HydrophobicContact CG1-CG 4.4Å; V352-I480 HydrophobicContact CG2-CB 3.58Å; V352-I480 HydrophobicContact CG2-CG2 3.61Å
353	F	97.6	Very high	83.9	Confident	0 Å²	0	54 Å²	54	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	144.4	-179.8	-60.1	-100	0	0	0	110.7	A289 L315 C317 F327 E329 L330 G351 S363 A364 C366 F368	A289-F353 HydrophobicContact CB-CD1 4.12Å; A289-F353 HydrophobicContact CB-CE1 3.6Å; L315-F353 HydrophobicContact CB-CE1 4.41Å; L315-F353 HydrophobicContact CD1-CE1 4.46Å; L315-F353 HydrophobicContact CD1-CZ 4.37Å; C317-F353 HydrophobicContact CB-CB 4.49Å; C317-F353 HydrophobicContact CB-CD1 4.01Å; C317-F353 HydrophobicContact CB-CD2 3.87Å; C317-F353 HydrophobicContact CB-CE1 4.15Å; C317-F353 HydrophobicContact CB-CE2 4.06Å; C317-F353 HydrophobicContact CB-CG 3.86Å; C317-F353 HydrophobicContact CB-CZ 4.19Å; F327-F353 HydrophobicContact CB-CB 3.51Å; F327-F353 HydrophobicContact CB-CG 4.43Å; F327-F353 WeakPolarHBondContact O-CD1 3.49Å; E329-F353 CarbonylContact O-C 2.74Å; E329-F353 WeakPolarHBondContact O-CA 3.18Å; L330-F353 HydrophobicContact CB-CD1 4.16Å; L330-F353 HydrophobicContact CB-CE1 4.01Å; L330-F353 HydrophobicContact CD1-CD1 4.11Å; L330-F353 HydrophobicContact CD1-CD2 4.44Å; L330-F353 HydrophobicContact CD1-CE1 3.63Å; L330-F353 HydrophobicContact CD1-CE2 3.97Å; L330-F353 HydrophobicContact CD1-CG 4.49Å; L330-F353 HydrophobicContact CD1-CZ 3.53Å; L330-F353 HydrophobicContact CG-CE1 4.39Å; G351-F353 VanDerWaalsContact O-CD2 3.29Å; G351-F353 WeakPolarHBondContact O-CD2 3.34Å; G351-F353 WeakPolarHBondContact O-CE2 3.09Å; F353-S363 CarbonylContact O-C 3.52Å; F353-S363 WeakPolarHBondContact O-CA 3.32Å; F353-A364 PolarHBondContact N-O 2.85Å; F353-A364 PolarHBondContact O-N 2.87Å; F353-C366 HydrophobicContact CD2-CB 4.18Å; F353-C366 HydrophobicContact CE2-CB 3.9Å; F353-F368 AromaticContact CE2-CE2 3.64Å; F353-F368 HydrophobicContact CE2-CE2 3.64Å; F353-F368 HydrophobicContact CE2-CZ 4.19Å; F353-F368 AromaticContact CZ-CE2 3.45Å; F353-F368 HydrophobicContact CZ-CE2 3.45Å; F353-F368 VanDerWaalsContact CZ-CE2 3.45Å; F353-F368 AromaticContact CZ-CZ 3.79Å; F353-F368 HydrophobicContact CZ-CZ 3.79Å
354	N	95.5	Very high	85.9	Confident	6 Å²	6	45.8 Å²	45.8	3%	0.032	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	154.5	169.2	-68.1	-34.2	0	0	0	111.1	D328 E329 V331 S362 S363 R476 F477	D328-N354 PolarHBondContact N-O 3.08Å; E329-N354 HydrophobicContact CB-CB 4.16Å; E329-N354 WeakPolarHBondContact CB-O 3.48Å; E329-N354 PolarHBondContact N-O 3.14Å; E329-N354 VanDerWaalsContact N-O 3.09Å; E329-N354 PolarHBondContact O-N 3.34Å; V331-N354 VanDerWaalsContact CG2-ND2 3.32Å; V331-N354 WeakPolarHBondContact CG2-ND2 3.27Å; N354-S362 CarbonylContact C-O 2.88Å; N354-S362 WeakPolarHBondContact CA-O 3.42Å; N354-S363 WeakPolarHBondContact OD1-CB 3.06Å; N354-S363 PolarHBondContact OD1-OG 3.06Å; N354-R476 PolarHBondContact ND2-NH2 2.96Å; N354-F477 PolarHBondContact ND2-O 2.91Å
355	S	91.6	Very high	87.9	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.007	22%	0.221	C	C	.	.			trans	-68.5	133.3	168.8	64	0	0	0	0	109.2	S358 S362	S355-S358 PolarHBondContact OG-OG 2.75Å; S355-S362 VanDerWaalsContact CB-OG 3.31Å; S355-S362 WeakPolarHBondContact CB-OG 3.39Å; S355-S362 PolarHBondContact N-O 3.35Å; S355-S362 PolarHBondContact OG-N 3.01Å; S355-S362 PolarHBondContact OG-O 2.8Å; S355-S362 PolarHBondContact OG-OG 3.39Å
356	P	82.6	Confident	89.3	Confident	41 Å²	41	33 Å²	33	27%	0.266	19%	0.192	S	C	.	.			trans	-53.9	158.7	168	-20.6	31.3	0	0	0	111.2	D328 E329 S358	D328-P356 HydrophobicContact CB-CG 4.01Å; E329-P356 HydrophobicContact CG-CG 4.37Å; P356-S358 VanDerWaalsContact O-CB 3.25Å; P356-S358 WeakPolarHBondContact O-CB 3.44Å; P356-S358 PolarHBondContact O-N 2.9Å; P356-S358 PolarHBondContact O-OG 2.74Å
357	S	70.4	Confident	90	Very high	130 Å²	130	32.2 Å²	32.2	91%	0.909	19%	0.187	S	C	*	.	S	Bend	trans	-40.8	92.6	-177.9	-46.5	0	0	0	0	112.7
358	S	66.1	Low	90.2	Very high	54 Å²	54	29.7 Å²	29.7	38%	0.378	18%	0.176	S	C	.	.			trans	-130.8	161.5	-175.6	56.3	0	0	0	0	108.5	S355 P356 L360	S355-S358 PolarHBondContact OG-OG 2.75Å; P356-S358 VanDerWaalsContact O-CB 3.25Å; P356-S358 WeakPolarHBondContact O-CB 3.44Å; P356-S358 PolarHBondContact O-N 2.9Å; P356-S358 PolarHBondContact O-OG 2.74Å; S358-L360 PolarHBondContact O-N 3.5Å; S358-L360 VanDerWaalsContact O-N 3.16Å; S358-L360 PolarHBondContact OG-O 2.76Å
359	I	70.3	Confident	90.3	Very high	171 Å²	171	32.8 Å²	32.8	88%	0.877	19%	0.186	S	C	*	.	S	Bend	trans	-59	-29.4	-177.2	-61.2	169.7	0	0	0	111.2	P361	I359-P361 WeakPolarHBondContact O-CD 3.36Å
360	L	78.2	Confident	90.1	Very high	122 Å²	122	33 Å²	33	64%	0.639	19%	0.187	S	C	*	.	S	Bend	trans	-118.6	90.2	179	-69.2	163.5	0	0	0	108.8	S358 S362	S358-L360 PolarHBondContact O-N 3.5Å; S358-L360 VanDerWaalsContact O-N 3.16Å; S358-L360 PolarHBondContact OG-O 2.76Å; L360-S362 PolarHBondContact O-N 2.97Å
361	P	86.9	Confident	89.9	Confident	50 Å²	50	35 Å²	35	33%	0.325	20%	0.199	S	C	.	.			trans	-53.6	132.7	171.6	-19.2	29.7	0	0	0	108.5	I359 G472	I359-P361 WeakPolarHBondContact O-CD 3.36Å; P361-G472 VanDerWaalsContact O-CA 3.25Å; P361-G472 WeakPolarHBondContact O-CA 3.18Å; P361-G472 PolarHBondContact O-N 2.81Å
362	S	92.6	Very high	89.7	Confident	6 Å²	6	36.5 Å²	36.5	4%	0.042	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	154.8	178.4	48.8	0	0	0	0	109.7	H325 F327 N354 S355 L360 M470	H325-S362 PolarHBondContact NE2-OG 2.79Å; F327-S362 WeakPolarHBondContact CE1-OG 3.3Å; N354-S362 CarbonylContact C-O 2.88Å; N354-S362 WeakPolarHBondContact CA-O 3.42Å; S355-S362 VanDerWaalsContact CB-OG 3.31Å; S355-S362 WeakPolarHBondContact CB-OG 3.39Å; S355-S362 PolarHBondContact N-O 3.35Å; S355-S362 PolarHBondContact OG-N 3.01Å; S355-S362 PolarHBondContact OG-O 2.8Å; S355-S362 PolarHBondContact OG-OG 3.39Å; L360-S362 PolarHBondContact O-N 2.97Å; S362-M470 CarbonylContact C-O 3.5Å; S362-M470 VanDerWaalsContact CA-O 3.3Å; S362-M470 WeakPolarHBondContact CA-O 3.42Å
363	S	95.8	Very high	89.6	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	148.4	-179.9	-40.2	0	0	0	0	109.2	F353 N354 V469 M470 R476 F477	F353-S363 CarbonylContact O-C 3.52Å; F353-S363 WeakPolarHBondContact O-CA 3.32Å; N354-S363 WeakPolarHBondContact OD1-CB 3.06Å; N354-S363 PolarHBondContact OD1-OG 3.06Å; S363-V469 WeakPolarHBondContact O-CA 3.11Å; S363-M470 PolarHBondContact N-O 2.96Å; S363-M470 PolarHBondContact O-N 2.74Å; S363-R476 WeakPolarHBondContact OG-CA 3.25Å; S363-F477 PolarHBondContact OG-N 3.14Å
364	A	96.1	Very high	89.3	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	148.7	179.5	0	0	0	0	0	111.8	F327 F353 P466 L468 V469	F327-A364 HydrophobicContact CB-CB 4.27Å; F327-A364 HydrophobicContact CD1-CB 3.59Å; F327-A364 HydrophobicContact CD2-CB 3.61Å; F327-A364 HydrophobicContact CE1-CB 3.67Å; F327-A364 HydrophobicContact CE2-CB 3.7Å; F327-A364 HydrophobicContact CG-CB 3.56Å; F327-A364 HydrophobicContact CZ-CB 3.72Å; F353-A364 PolarHBondContact N-O 2.85Å; F353-A364 PolarHBondContact O-N 2.87Å; A364-P466 HydrophobicContact CB-CB 3.93Å; A364-P466 HydrophobicContact CB-CG 4.24Å; A364-L468 CarbonylContact C-O 3.56Å; A364-L468 WeakPolarHBondContact CA-O 3.44Å; A364-V469 HydrophobicContact CB-CG2 4.24Å
365	I	97.5	Very high	89	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	126.3	168.5	-54.7	-55.3	0	0	0	108.3	Y350 G351 V352 P466 L467 L468 F477 I480 M497 I499	Y350-I365 HydrophobicContact CD1-CG2 4.42Å; G351-I365 WeakPolarHBondContact O-CA 3.39Å; V352-I365 HydrophobicContact CB-CD1 4.21Å; V352-I365 HydrophobicContact CG1-CD1 4.28Å; V352-I365 HydrophobicContact CG2-CD1 3.7Å; I365-P466 CarbonylContact O-C 3.43Å; I365-P466 WeakPolarHBondContact O-CA 3.33Å; I365-P466 WeakPolarHBondContact O-CB 3.4Å; I365-L467 HydrophobicContact CB-CB 4.47Å; I365-L467 HydrophobicContact CG2-CB 4.43Å; I365-L467 HydrophobicContact CG2-CD1 4.38Å; I365-L467 PolarHBondContact O-N 3.05Å; I365-L468 HydrophobicContact CB-CB 4.24Å; I365-L468 HydrophobicContact CG1-CB 4.16Å; I365-L468 HydrophobicContact CG1-CD2 4.39Å; I365-L468 PolarHBondContact N-O 2.87Å; I365-F477 HydrophobicContact CD1-CD2 3.68Å; I365-F477 HydrophobicContact CD1-CE2 4.1Å; I365-F477 HydrophobicContact CG1-CD2 4.11Å; I365-F477 HydrophobicContact CG1-CE2 3.99Å; I365-I480 HydrophobicContact CD1-CD1 4.12Å; I365-I480 HydrophobicContact CG2-CD1 3.86Å; I365-M497 HydrophobicContact CG2-SD 4.06Å; I365-I499 HydrophobicContact CD1-CD1 4.14Å; I365-I499 HydrophobicContact CD1-CG1 4.31Å; I365-I499 HydrophobicContact CD1-CG2 4.26Å; I365-I499 HydrophobicContact CG1-CD1 3.67Å; I365-I499 HydrophobicContact CG1-CG1 4.33Å
366	C	97.4	Very high	89.1	Confident	5 Å²	5	47.5 Å²	47.5	3%	0.034	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	138.9	172.5	-77.1	0	0	0	0	109.3	C317 G351 F353 F368	C317-C366 WeakPolarHBondContact CA-SG 3.31Å; C317-C366 HydrophobicContact CB-CB 3.74Å; C317-C366 WeakPolarHBondContact CB-SG 3.16Å; C317-C366 WeakPolarHBondContact SG-CB 2.81Å; C317-C366 CovalentContact SG-SG 2.04Å; C317-C366 PolarHBondContact SG-SG 3.39Å; G351-C366 PolarHBondContact N-O 2.84Å; G351-C366 PolarHBondContact O-N 2.86Å; G351-C366 VanDerWaalsContact O-N 3.08Å; F353-C366 HydrophobicContact CD2-CB 4.18Å; F353-C366 HydrophobicContact CE2-CB 3.9Å; C366-F368 HydrophobicContact CB-CE2 3.87Å; C366-F368 HydrophobicContact CB-CZ 4.04Å
367	A	96.2	Very high	89.5	Confident	2 Å²	2	45.6 Å²	45.6	2%	0.017	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	147.1	169.9	0	0	0	0	0	110.4	L348 I349 Y350 G461 A462 L467	L348-A367 HydrophobicContact CD2-CB 4.31Å; I349-A367 CarbonylContact O-C 3.54Å; I349-A367 WeakPolarHBondContact O-CA 3.49Å; Y350-A367 HydrophobicContact CD1-CB 3.88Å; Y350-A367 HydrophobicContact CE1-CB 3.91Å; Y350-A367 HydrophobicContact CG-CB 4.4Å; A367-G461 CarbonylContact O-C 2.6Å; A367-G461 WeakPolarHBondContact O-CA 3.37Å; A367-A462 HydrophobicContact CB-CB 4.11Å; A367-A462 WeakPolarHBondContact O-CB 3.04Å; A367-A462 PolarHBondContact O-N 3.49Å; A367-L467 HydrophobicContact CB-CD1 3.79Å
368	F	96.7	Very high	90.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	133.8	175.8	-61.8	-87.9	0	0	0	109.3	W272 L315 C317 L348 I349 F353 C366 I373 V459 P460	W272-F368 HydrophobicContact CH2-CB 4.24Å; W272-F368 HydrophobicContact CH2-CD2 4.2Å; W272-F368 HydrophobicContact CH2-CG 4.34Å; W272-F368 HydrophobicContact CZ3-CD2 4.12Å; L315-F368 HydrophobicContact CB-CE1 4.14Å; L315-F368 HydrophobicContact CB-CZ 3.97Å; L315-F368 HydrophobicContact CD2-CD1 3.9Å; L315-F368 HydrophobicContact CD2-CD2 4.36Å; L315-F368 HydrophobicContact CD2-CE1 3.87Å; L315-F368 HydrophobicContact CD2-CE2 4.35Å; L315-F368 HydrophobicContact CD2-CG 4.15Å; L315-F368 HydrophobicContact CD2-CZ 4.11Å; C317-F368 HydrophobicContact CB-CZ 4.44Å; L348-F368 WeakPolarHBondContact CA-O 3.45Å; I349-F368 PolarHBondContact N-O 2.92Å; I349-F368 PolarHBondContact O-N 2.85Å; F353-F368 AromaticContact CE2-CE2 3.64Å; F353-F368 HydrophobicContact CE2-CE2 3.64Å; F353-F368 HydrophobicContact CE2-CZ 4.19Å; F353-F368 AromaticContact CZ-CE2 3.45Å; F353-F368 HydrophobicContact CZ-CE2 3.45Å; F353-F368 VanDerWaalsContact CZ-CE2 3.45Å; F353-F368 AromaticContact CZ-CZ 3.79Å; F353-F368 HydrophobicContact CZ-CZ 3.79Å; C366-F368 HydrophobicContact CB-CE2 3.87Å; C366-F368 HydrophobicContact CB-CZ 4.04Å; F368-I373 HydrophobicContact CB-CD1 4.18Å; F368-V459 HydrophobicContact CD1-CB 4.47Å; F368-V459 HydrophobicContact CD1-CG1 3.85Å; F368-P460 WeakPolarHBondContact CD1-O 3.3Å
369	R	94.6	Very high	91.1	Very high	84 Å²	84	42.4 Å²	42.4	32%	0.317	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	136.5	173.3	-66.2	175.3	65.2	-156	-2.1	109.6	L348 D371 D372 I373 A462	L348-R369 HydrophobicContact CD2-CB 4.36Å; L348-R369 HydrophobicContact CD2-CG 3.48Å; L348-R369 VanDerWaalsContact CD2-CG 3.48Å; R369-D371 VanDerWaalsContact C-N 3.26Å; R369-D371 IonicContact CZ-OD2 2.64Å; R369-D371 IonicContact NH2-OD2 3.55Å; R369-D371 PolarHBondContact NH2-OD2 3.17Å; R369-D371 PolarHBondContact O-N 2.86Å; R369-D372 HydrophobicContact CB-CB 4.32Å; R369-D372 PolarHBondContact O-N 2.66Å; R369-D372 VanDerWaalsContact O-N 3.15Å; R369-I373 PolarHBondContact O-N 3.47Å; R369-A462 HydrophobicContact CG-CB 4.01Å
370	M	93.1	Very high	91.8	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.02	17%	0.167	C	C	.	.	H	α-helix	trans	-59.4	-39.4	174.3	-73.7	-54.9	-55.9	0	0	112	I265 Y270 K347 I349 D372 I373 E374	I265-M370 HydrophobicContact CD1-CE 3.74Å; I265-M370 HydrophobicContact CD1-CG 3.85Å; I265-M370 HydrophobicContact CD1-SD 3.69Å; Y270-M370 HydrophobicContact CD1-CE 4.21Å; Y270-M370 HydrophobicContact CD2-CE 4.16Å; Y270-M370 HydrophobicContact CE1-CE 3.68Å; Y270-M370 HydrophobicContact CE2-CE 3.61Å; Y270-M370 HydrophobicContact CG-CE 4.43Å; K347-M370 HydrophobicContact CB-CG 3.91Å; K347-M370 PolarHBondContact O-N 3.47Å; I349-M370 HydrophobicContact CD1-CG 4.25Å; I349-M370 HydrophobicContact CD1-SD 3.25Å; I349-M370 WeakPolarHBondContact CD1-SD 3.39Å; I349-M370 HydrophobicContact CG1-SD 4.32Å; M370-D372 VanDerWaalsContact C-N 3.25Å; M370-D372 PolarHBondContact O-N 3.42Å; M370-I373 WeakPolarHBondContact O-CB 3.36Å; M370-I373 PolarHBondContact O-N 3.03Å; M370-I373 VanDerWaalsContact O-N 3.08Å; M370-I373 HydrophobicContact SD-CD1 3.75Å; M370-E374 WeakPolarHBondContact O-CG 3.45Å; M370-E374 PolarHBondContact O-N 3.09Å
371	D	91.7	Very high	91.9	Very high	59 Å²	59	31.1 Å²	31.1	32%	0.316	15%	0.15	S	C	.	.	H	α-helix	trans	-56.2	-40	176	-47.6	-3.8	0	0	0	112.3	S346 R369 R375	S346-D371 WeakPolarHBondContact CB-OD1 3.49Å; S346-D371 PolarHBondContact OG-OD1 2.95Å; S346-D371 PolarHBondContact OG-OD2 3.34Å; R369-D371 VanDerWaalsContact C-N 3.26Å; R369-D371 IonicContact CZ-OD2 2.64Å; R369-D371 IonicContact NH2-OD2 3.55Å; R369-D371 PolarHBondContact NH2-OD2 3.17Å; R369-D371 PolarHBondContact O-N 2.86Å; D371-R375 WeakPolarHBondContact O-CB 3.43Å; D371-R375 PolarHBondContact O-N 2.91Å
372	D	94.5	Very high	91.7	Very high	31 Å²	31	29.5 Å²	29.5	17%	0.166	14%	0.138	C	C	.	.	H	α-helix	trans	-72.6	-35.4	-179.6	-69.6	-37.9	0	0	0	111.1	R369 M370 T376 P460	R369-D372 HydrophobicContact CB-CB 4.32Å; R369-D372 PolarHBondContact O-N 2.66Å; R369-D372 VanDerWaalsContact O-N 3.15Å; M370-D372 VanDerWaalsContact C-N 3.25Å; M370-D372 PolarHBondContact O-N 3.42Å; D372-T376 VanDerWaalsContact O-CB 3.31Å; D372-T376 WeakPolarHBondContact O-CB 3.31Å; D372-T376 PolarHBondContact O-N 3.07Å; D372-T376 PolarHBondContact O-OG1 3.17Å; D372-P460 HydrophobicContact CB-CG 4.21Å
373	I	95.2	Very high	91	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.9	-51.6	173.2	-67.4	166.9	0	0	0	110	Y270 W272 V291 F368 R369 M370 T376 F377 V459	Y270-I373 HydrophobicContact CE1-CG2 3.96Å; W272-I373 HydrophobicContact CH2-CD1 3.85Å; W272-I373 HydrophobicContact CZ2-CD1 3.73Å; V291-I373 HydrophobicContact CG1-CG2 4.18Å; V291-I373 HydrophobicContact CG2-CG2 4.39Å; F368-I373 HydrophobicContact CB-CD1 4.18Å; R369-I373 PolarHBondContact O-N 3.47Å; M370-I373 WeakPolarHBondContact O-CB 3.36Å; M370-I373 PolarHBondContact O-N 3.03Å; M370-I373 VanDerWaalsContact O-N 3.08Å; M370-I373 HydrophobicContact SD-CD1 3.75Å; I373-T376 WeakPolarHBondContact O-CB 3.31Å; I373-T376 PolarHBondContact O-N 3.08Å; I373-F377 HydrophobicContact CG2-CD2 3.76Å; I373-F377 HydrophobicContact CG2-CE2 3.36Å; I373-F377 HydrophobicContact CG2-CZ 4.3Å; I373-F377 VanDerWaalsContact O-CD2 3.28Å; I373-F377 WeakPolarHBondContact O-CD2 3.3Å; I373-F377 PolarHBondContact O-N 3.49Å; I373-V459 HydrophobicContact CB-CG1 4.43Å; I373-V459 HydrophobicContact CG1-CB 4.49Å; I373-V459 HydrophobicContact CG1-CG1 3.51Å; I373-V459 HydrophobicContact CG1-CG2 4.23Å
374	E	91.9	Very high	89.8	Confident	61 Å²	61	36.4 Å²	36.4	29%	0.285	17%	0.172	S	C	.	.	H	α-helix	trans	-63.5	-44.3	-178.7	-70.2	178.8	175.9	0	0	111.9	Y270 M370 T376 F377 A378	Y270-E374 PolarHBondContact OH-OE1 3.03Å; M370-E374 WeakPolarHBondContact O-CG 3.45Å; M370-E374 PolarHBondContact O-N 3.09Å; E374-T376 VanDerWaalsContact C-N 3.3Å; E374-T376 PolarHBondContact O-N 3.4Å; E374-F377 PolarHBondContact O-N 3.36Å; E374-A378 WeakPolarHBondContact O-CB 3.22Å; E374-A378 PolarHBondContact O-N 3.48Å
375	R	90.4	Very high	88.2	Confident	163 Å²	163	39.3 Å²	39.3	62%	0.615	19%	0.186	S	C	*	.	H	α-helix	trans	-60.1	-41.1	174.6	-174.5	179.9	-178.9	-178.3	1.1	111.7	D371 A378 L379	D371-R375 WeakPolarHBondContact O-CB 3.43Å; D371-R375 PolarHBondContact O-N 2.91Å; R375-A378 PolarHBondContact O-N 3.4Å; R375-L379 HydrophobicContact CG-CD1 3.56Å; R375-L379 HydrophobicContact CG-CG 4.13Å; R375-L379 WeakPolarHBondContact O-CB 3.45Å; R375-L379 WeakPolarHBondContact O-CG 3.5Å; R375-L379 PolarHBondContact O-N 3.15Å
376	T	93	Very high	86	Confident	15 Å²	15	43.6 Å²	43.6	9%	0.092	22%	0.215	C	C	.	.	H	α-helix	trans	-62.3	-45.3	177	-59.1	0	0	0	0	110.5	A313 D372 I373 E374 A378 S380 V455 D457 V459	A313-T376 HydrophobicContact CB-CG2 4.29Å; D372-T376 VanDerWaalsContact O-CB 3.31Å; D372-T376 WeakPolarHBondContact O-CB 3.31Å; D372-T376 PolarHBondContact O-N 3.07Å; D372-T376 PolarHBondContact O-OG1 3.17Å; I373-T376 WeakPolarHBondContact O-CB 3.31Å; I373-T376 PolarHBondContact O-N 3.08Å; E374-T376 VanDerWaalsContact C-N 3.3Å; E374-T376 PolarHBondContact O-N 3.4Å; T376-A378 PolarHBondContact O-N 3.29Å; T376-S380 WeakPolarHBondContact O-CB 3.44Å; T376-S380 PolarHBondContact O-N 3.26Å; T376-V455 HydrophobicContact CG2-CG2 4.04Å; T376-D457 HydrophobicContact CG2-CB 4.38Å; T376-V459 HydrophobicContact CG2-CG2 4.12Å
377	F	91.2	Very high	83.6	Confident	1 Å²	1	48.2 Å²	48.2	0%	0.004	24%	0.243	C	C	.	.	H	α-helix	trans	-66.1	-36.8	177.3	-70.6	-48	0	0	0	113.7	Y270 V291 R293 V311 A313 I373 E374 V455	Y270-F377 HydrophobicContact CE1-CE2 4.16Å; V291-F377 HydrophobicContact CG1-CZ 4.08Å; R293-F377 HydrophobicContact CB-CE2 4.34Å; R293-F377 HydrophobicContact CG-CD2 4.02Å; R293-F377 HydrophobicContact CG-CE2 3.85Å; R293-F377 HydrophobicContact CG-CZ 4.31Å; R293-F377 VanDerWaalsContact NH2-CB 3.31Å; V311-F377 HydrophobicContact CB-CD1 4.26Å; V311-F377 HydrophobicContact CB-CE1 4.43Å; V311-F377 HydrophobicContact CG1-CB 4.49Å; V311-F377 HydrophobicContact CG1-CD1 3.61Å; V311-F377 HydrophobicContact CG1-CE1 3.86Å; V311-F377 HydrophobicContact CG1-CG 4.03Å; V311-F377 HydrophobicContact CG1-CZ 4.46Å; V311-F377 HydrophobicContact CG2-CD1 3.68Å; V311-F377 HydrophobicContact CG2-CE1 4.02Å; A313-F377 HydrophobicContact CB-CD1 4.32Å; A313-F377 HydrophobicContact CB-CE1 3.65Å; A313-F377 HydrophobicContact CB-CZ 4.12Å; I373-F377 HydrophobicContact CG2-CD2 3.76Å; I373-F377 HydrophobicContact CG2-CE2 3.36Å; I373-F377 HydrophobicContact CG2-CZ 4.3Å; I373-F377 VanDerWaalsContact O-CD2 3.28Å; I373-F377 WeakPolarHBondContact O-CD2 3.3Å; I373-F377 PolarHBondContact O-N 3.49Å; E374-F377 PolarHBondContact O-N 3.36Å; F377-V455 HydrophobicContact CD1-CG1 4.36Å
378	A	85.2	Confident	81.1	Confident	4 Å²	4	57.6 Å²	57.6	3%	0.033	29%	0.286	C	S	.	.	H	α-helix	trans	-72.4	-49.6	179.9	0	0	0	0	0	112.2	E374 R375 T376 R431 L432	E374-A378 WeakPolarHBondContact O-CB 3.22Å; E374-A378 PolarHBondContact O-N 3.48Å; R375-A378 PolarHBondContact O-N 3.4Å; T376-A378 PolarHBondContact O-N 3.29Å; A378-R431 PolarHBondContact O-NH1 3.42Å; A378-L432 HydrophobicContact CB-CD2 3.42Å; A378-L432 VanDerWaalsContact CB-CD2 3.42Å; A378-L432 HydrophobicContact CB-CG 4Å
379	L	83.8	Confident	78.1	Confident	112 Å²	112	63 Å²	63	59%	0.586	32%	0.319	S	S	*	.	H	α-helix	trans	-101.6	-21.8	-164.5	-55.3	-175.6	0	0	0	114.4	R375	R375-L379 HydrophobicContact CG-CD1 3.56Å; R375-L379 HydrophobicContact CG-CG 4.13Å; R375-L379 WeakPolarHBondContact O-CB 3.45Å; R375-L379 WeakPolarHBondContact O-CG 3.5Å; R375-L379 PolarHBondContact O-N 3.15Å
380	S	85.4	Confident	75.2	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.007	33%	0.326	C	S	.	.	S	Bend	trans	-70	141.9	179.9	177.7	0	0	0	0	111	T376 R431 K456 D457	T376-S380 WeakPolarHBondContact O-CB 3.44Å; T376-S380 PolarHBondContact O-N 3.26Å; S380-R431 PolarHBondContact O-NH1 2.98Å; S380-R431 PolarHBondContact O-NH2 3.11Å; S380-K456 PolarHBondContact OG-N 3.07Å; S380-D457 WeakPolarHBondContact OG-CB 3.43Å; S380-D457 PolarHBondContact OG-N 3.4Å; S380-D457 PolarHBondContact OG-OD2 2.66Å
381	D	81.6	Confident	72.3	Confident	55 Å²	55	66.2 Å²	66.2	29%	0.294	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-61	152.7	164.8	-61.8	-46.8	0	0	0	110.6	T407 V455 K456	D381-T407 HydrophobicContact CB-CG2 4.16Å; D381-T407 VanDerWaalsContact OD1-CB 3.28Å; D381-T407 WeakPolarHBondContact OD1-CB 3.35Å; D381-T407 WeakPolarHBondContact OD1-CG2 3.31Å; D381-T407 WeakPolarHBondContact OD2-CG2 3.18Å; D381-V455 WeakPolarHBondContact O-CA 3.2Å; D381-K456 HydrophobicContact CB-CB 4.38Å; D381-K456 HydrophobicContact CB-CD 4.29Å; D381-K456 VanDerWaalsContact O-CB 3.28Å; D381-K456 WeakPolarHBondContact O-CB 3.44Å; D381-K456 PolarHBondContact O-N 3.12Å
382	F	81.8	Confident	69.4	Low	16 Å²	16	75 Å²	75	7%	0.07	40%	0.398	C	S	.	.	B	Isolated β-bridge	trans	-74.4	146.2	166.6	-68.7	-59.4	0	0	0	111.2	V311 L384 I408 M449 H452 L454 V455	V311-F382 HydrophobicContact CG2-CE1 4.16Å; F382-L384 PolarHBondContact O-N 2.93Å; F382-I408 HydrophobicContact CB-CD1 4.06Å; F382-I408 HydrophobicContact CD2-CB 4.44Å; F382-I408 HydrophobicContact CD2-CD1 3.58Å; F382-I408 HydrophobicContact CD2-CG2 4.43Å; F382-I408 HydrophobicContact CE2-CD1 4.46Å; F382-I408 HydrophobicContact CG-CD1 4.26Å; F382-M449 HydrophobicContact CZ-CG 4.4Å; F382-H452 HydrophobicContact CB-CB 3.8Å; F382-H452 HydrophobicContact CD1-CB 4.47Å; F382-H452 WeakPolarHBondContact CD1-O 3.47Å; F382-H452 HydrophobicContact CD2-CB 4.37Å; F382-H452 WeakPolarHBondContact CE1-O 3.42Å; F382-H452 HydrophobicContact CG-CB 4.01Å; F382-H452 VanDerWaalsContact CG-O 3.32Å; F382-H452 WeakPolarHBondContact CG-O 3.28Å; F382-L454 WeakPolarHBondContact CA-O 3.24Å; F382-V455 HydrophobicContact CD1-CG1 4.22Å; F382-V455 HydrophobicContact CE1-CG1 4.42Å
383	K	79	Confident	66.3	Low	56 Å²	56	81 Å²	81	24%	0.243	43%	0.427	C	S	.	.			trans	-81	115.5	176	-168.3	161.7	-172.8	156.7	0	110.2	E279 L385 L454	E279-K383 HydrophobicContact CG-CD 4.17Å; E279-K383 WeakPolarHBondContact OE2-CE 3.33Å; E279-K383 IonicContact OE2-NZ 3.69Å; E279-K383 PolarHBondContact OE2-NZ 3.04Å; K383-L385 PolarHBondContact O-N 2.05Å; K383-L454 HydrophobicContact CB-CD2 4.11Å; K383-L454 HydrophobicContact CB-CG 4.07Å; K383-L454 HydrophobicContact CD-CD2 3.84Å; K383-L454 HydrophobicContact CD-CG 4.46Å; K383-L454 HydrophobicContact CG-CD2 4.39Å; K383-L454 PolarHBondContact N-O 3.41Å
384	L	70.3	Confident	63.5	Low	96 Å²	96	89.6 Å²	89.6	50%	0.503	46%	0.459	S	S	.	.			trans	-73	113.3	170.4	-65.4	175.9	0	0	0	109.4	F382 R406 H452	F382-L384 PolarHBondContact O-N 2.93Å; L384-R406 WeakPolarHBondContact CD1-O 3.21Å; L384-H452 WeakPolarHBondContact CD2-NE2 3.47Å
385	L	60.9	Low	60.7	Low	60 Å²	60	91.6 Å²	91.6	31%	0.314	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-81.1	128.2	172.5	-68	171.5	0	0	0	108.9	N252 K383 T387	N252-L385 HydrophobicContact CB-CD1 4.02Å; N252-L385 VanDerWaalsContact OD1-CD1 3.31Å; N252-L385 WeakPolarHBondContact OD1-CD1 3.19Å; K383-L385 PolarHBondContact O-N 2.05Å; L385-T387 PolarHBondContact O-N 3.29Å; L385-T387 VanDerWaalsContact O-N 3.15Å
386	P	51.9	Low	57.7	Low	91 Å²	91	95.2 Å²	95.2	59%	0.591	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-61.9	121.5	177	22.3	-29.2	0	0	0	109.3	P281 Q388	P281-P386 HydrophobicContact CG-CG 4.02Å; P386-Q388 PolarHBondContact O-N 2.9Å
387	T	48.2	Very low	54.8	Low	101 Å²	101	103.1 Å²	103.1	62%	0.62	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-60.7	128.7	174	44.6	0	0	0	0	109.1	L385 T389	L385-T387 PolarHBondContact O-N 3.29Å; L385-T387 VanDerWaalsContact O-N 3.15Å; T387-T389 PolarHBondContact O-N 3.49Å
388	Q	42.8	Very low	51.9	Low	199 Å²	199	109.1 Å²	109.1	93%	0.93	56%	0.56	S	S	*	*	S	Bend	trans	-63.8	8.8	178.8	-73.8	-108.4	25.5	0	0	113.9	P386	P386-Q388 PolarHBondContact O-N 2.9Å
389	T	33.5	Very low	49.1	Very low	114 Å²	114	112.3 Å²	112.3	70%	0.699	59%	0.593	S	S	*	*	S	Bend	trans	-127.2	75.3	-176.9	43.9	0	0	0	0	111.4	T387	T387-T389 PolarHBondContact O-N 3.49Å
390	S	34.8	Very low	46.5	Very low	65 Å²	65	112.7 Å²	112.7	46%	0.455	61%	0.605	S	S	.	*				168.2	74.4	127.3	51.8	0	0	0	0	110.8	R392	S390-R392 PolarHBondContact O-N 3.23Å
391	G	31.3	Very low	43.8	Very low	90 Å²	90	119.3 Å²	119.3	93%	0.928	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	30.2	167.5	0	0	0	0	0	115.2
392	R	30.8	Very low	41.4	Very low	245 Å²	245	121.5 Å²	121.5	93%	0.925	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-154.5	-0.1	177	-136.3	170.5	179.9	153.8	-0.1	118.3	S390	S390-R392 PolarHBondContact O-N 3.23Å
393	M	29.8	Very low	39	Very low	155 Å²	155	125.5 Å²	125.5	76%	0.764	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.7	-4.7	-172.6	-150.7	174.5	-81.6	0	0	117.6
394	R	35.3	Very low	36.7	Very low	181 Å²	181	131.6 Å²	131.6	68%	0.683	72%	0.717	S	S	*	*	S	Bend	trans	-101	-7.1	-179.9	-89.9	-176.9	168.6	172.6	-3.1	116.8	R396	R394-R396 PolarHBondContact O-N 3.41Å
395	A	33	Very low	34.9	Very low	104 Å²	104	131.4 Å²	131.4	86%	0.86	72%	0.721	S	S	*	*	S	Bend	trans	-80.6	-7.3	178.7	0	0	0	0	0	114.9
396	R	28.4	Very low	33.5	Very low	238 Å²	238	137.3 Å²	137.3	90%	0.898	74%	0.739	S	S	*	*	S	Bend	trans	-108.5	-6.2	-176	-74.4	-168.6	-161.9	165.7	4	116.3	R394	R394-R396 PolarHBondContact O-N 3.41Å
397	F	31.6	Very low	32.9	Very low	181 Å²	181	135 Å²	135	79%	0.794	72%	0.723	S	S	*	*	S	Bend	trans	-110.1	1.3	-178.8	-93.7	-83.8	0	0	0	114.7
398	F	30	Very low	33.1	Very low	127 Å²	127	132.2 Å²	132.2	56%	0.557	70%	0.704	S	S	*	*			trans	-118.3	56	175.7	-69.4	-77.1	0	0	0	111.1
399	G	27.3	Very low	33.6	Very low	71 Å²	71	124.9 Å²	124.9	73%	0.732	67%	0.673	S	S	*	*	S	Bend	trans	-87.3	121.8	154.5	0	0	0	0	0	107.6
400	S	29.9	Very low	34.7	Very low	120 Å²	120	124.6 Å²	124.6	84%	0.839	67%	0.667	S	S	*	*	S	Bend	trans	94.4	15.9	169.5	-159.7	0	0	0	0	120.4
401	L	28.2	Very low	36	Very low	140 Å²	140	122.6 Å²	122.6	73%	0.733	65%	0.653	S	S	*	*	S	Bend	trans	-115.2	117.7	156.1	-98.6	89.2	0	0	0	109.9	A403	L401-A403 PolarHBondContact O-N 3.35Å; L401-A403 VanDerWaalsContact O-N 3.15Å
402	S	30.9	Very low	37.8	Very low	101 Å²	101	120.8 Å²	120.8	71%	0.706	63%	0.634	S	S	*	*			trans	-30.9	117.5	164.7	160.9	0	0	0	0	110.4	R404	S402-R404 PolarHBondContact O-N 3.27Å
403	A	31.5	Very low	39.4	Very low	100 Å²	100	113 Å²	113	83%	0.826	61%	0.611	S	S	*	*			trans	-69.9	62.2	177.8	0	0	0	0	0	111.3	L401	L401-A403 PolarHBondContact O-N 3.35Å; L401-A403 VanDerWaalsContact O-N 3.15Å
404	R	29.7	Very low	40.9	Very low	185 Å²	185	109.6 Å²	109.6	70%	0.698	60%	0.6	S	S	*	*			trans	-71.6	123.1	155.4	-70.8	-171.1	-178.3	-167.9	0.9	106	S402 R406	S402-R404 PolarHBondContact O-N 3.27Å; R404-R406 PolarHBondContact O-N 3.39Å; R404-R406 VanDerWaalsContact O-N 3.13Å
405	P	32.4	Very low	42.5	Very low	92 Å²	92	108.4 Å²	108.4	60%	0.597	61%	0.607	S	S	*	*			trans	-57.9	124.1	171.5	22.5	-25.2	0	0	0	106.2	T407	P405-T407 PolarHBondContact O-N 3.22Å
406	R	32.7	Very low	44.5	Very low	184 Å²	184	111.4 Å²	111.4	69%	0.694	60%	0.603	S	S	*	*			trans	-63.7	94.4	170.4	-69.4	-173.8	-145.4	-141.8	1.4	106.1	L384 R404	L384-R406 WeakPolarHBondContact CD1-O 3.21Å; R404-R406 PolarHBondContact O-N 3.39Å; R404-R406 VanDerWaalsContact O-N 3.13Å
407	T	38.9	Very low	46.5	Very low	41 Å²	41	101.4 Å²	101.4	25%	0.252	57%	0.572	S	S	.	*			trans	-58.5	155.8	160.8	56.6	0	0	0	0	106.9	D381 P405 V409	D381-T407 HydrophobicContact CB-CG2 4.16Å; D381-T407 VanDerWaalsContact OD1-CB 3.28Å; D381-T407 WeakPolarHBondContact OD1-CB 3.35Å; D381-T407 WeakPolarHBondContact OD1-CG2 3.31Å; D381-T407 WeakPolarHBondContact OD2-CG2 3.18Å; P405-T407 PolarHBondContact O-N 3.22Å; T407-V409 PolarHBondContact O-N 3.3Å
408	I	52.7	Low	48.4	Very low	43 Å²	43	96.9 Å²	96.9	22%	0.221	56%	0.56	C	S	.	*	T	Hydrogen-bonded Turn	trans	-60.9	-17.4	-169.3	-103.7	171.6	0	0	0	112.3	F382 L448 H452	F382-I408 HydrophobicContact CB-CD1 4.06Å; F382-I408 HydrophobicContact CD2-CB 4.44Å; F382-I408 HydrophobicContact CD2-CD1 3.58Å; F382-I408 HydrophobicContact CD2-CG2 4.43Å; F382-I408 HydrophobicContact CE2-CD1 4.46Å; F382-I408 HydrophobicContact CG-CD1 4.26Å; I408-L448 HydrophobicContact CD1-CD1 3.35Å; I408-L448 HydrophobicContact CD1-CG 3.87Å; I408-L448 HydrophobicContact CG1-CD1 3.72Å; I408-L448 HydrophobicContact CG1-CG 4.44Å; I408-L448 HydrophobicContact CG2-CD1 4.08Å; I408-L448 HydrophobicContact CG2-CD2 3.6Å; I408-L448 HydrophobicContact CG2-CG 4.03Å; I408-H452 HydrophobicContact CD1-CB 4.14Å
409	V	53	Low	50.4	Low	46 Å²	46	98.5 Å²	98.5	28%	0.279	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	-155.8	93.6	161.4	-129.5	0	0	0	0	113.5	T407 C411 C420 V424 I427	T407-V409 PolarHBondContact O-N 3.3Å; V409-C411 WeakPolarHBondContact CG1-SG 3.48Å; V409-C420 WeakPolarHBondContact CG1-SG 3.43Å; V409-V424 HydrophobicContact CB-CB 4.26Å; V409-V424 HydrophobicContact CB-CG1 4.08Å; V409-V424 HydrophobicContact CB-CG2 3.38Å; V409-V424 HydrophobicContact CG1-CG2 3.62Å; V409-V424 HydrophobicContact CG2-CB 3.99Å; V409-V424 HydrophobicContact CG2-CG1 3.76Å; V409-V424 HydrophobicContact CG2-CG2 3.56Å; V409-I427 HydrophobicContact CG2-CD1 4.29Å
410	D	57.2	Low	52.4	Low	107 Å²	107	96.9 Å²	96.9	57%	0.572	55%	0.546	S	S	*	.			trans	-88.3	95.5	152.3	-173.1	-3.4	0	0	0	106	G412	D410-G412 PolarHBondContact O-N 2.83Å; D410-G412 VanDerWaalsContact O-N 3.12Å; D410-G412 PolarHBondContact OD1-N 3Å
411	C	61.1	Low	54.4	Low	24 Å²	24	93.9 Å²	93.9	16%	0.162	52%	0.523	C	S	.	.			trans	-69.4	-1.2	-178.2	-69.8	0	0	0	0	113.3	V409 C420 V421 V424	V409-C411 WeakPolarHBondContact CG1-SG 3.48Å; C411-C420 WeakPolarHBondContact CA-SG 3.28Å; C411-C420 HydrophobicContact CB-CB 3.87Å; C411-C420 WeakPolarHBondContact CB-SG 3.39Å; C411-C420 WeakPolarHBondContact SG-CB 3.37Å; C411-C420 CovalentContact SG-SG 2.05Å; C411-C420 PolarHBondContact SG-SG 2.85Å; C411-V421 HydrophobicContact CB-CG2 3.98Å; C411-V421 PolarHBondContact SG-N 2.87Å; C411-V421 VanDerWaalsContact SG-N 3.41Å; C411-V424 WeakPolarHBondContact SG-CG2 3.38Å
412	G	68.7	Low	56.4	Low	51 Å²	51	93.3 Å²	93.3	53%	0.526	52%	0.517	S	S	.	.			trans	64.4	-139.9	-171.7	0	0	0	0	0	110.6	D410 P414	D410-G412 PolarHBondContact O-N 2.83Å; D410-G412 VanDerWaalsContact O-N 3.12Å; D410-G412 PolarHBondContact OD1-N 3Å; G412-P414 WeakPolarHBondContact O-CD 3.15Å
413	D	65.8	Low	58.1	Low	81 Å²	81	91.1 Å²	91.1	43%	0.433	50%	0.501	S	S	.	.	S	Bend	trans	-69.4	121.8	177.3	-163.4	-37.1	0	0	0	110.5	L415 E416 A417	D413-L415 PolarHBondContact O-N 2.6Å; D413-L415 VanDerWaalsContact O-N 3.07Å; D413-L415 PolarHBondContact OD1-N 3.2Å; D413-L415 VanDerWaalsContact OD1-N 3.11Å; D413-E416 HydrophobicContact CB-CB 4.41Å; D413-E416 HydrophobicContact CB-CG 4.2Å; D413-E416 PolarHBondContact O-N 3.06Å; D413-A417 PolarHBondContact O-N 3.31Å
414	P	61.1	Low	59.9	Low	84 Å²	84	88 Å²	88	55%	0.545	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-26.1	179.9	-25.1	33.6	0	0	0	114.3	G412 V421	G412-P414 WeakPolarHBondContact O-CD 3.15Å; P414-V421 HydrophobicContact CB-CG2 4.12Å
415	L	69.3	Low	61.8	Low	156 Å²	156	87.5 Å²	87.5	82%	0.817	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-27	178.6	-72.9	161.4	0	0	0	112.8	D413	D413-L415 PolarHBondContact O-N 2.6Å; D413-L415 VanDerWaalsContact O-N 3.07Å; D413-L415 PolarHBondContact OD1-N 3.2Å; D413-L415 VanDerWaalsContact OD1-N 3.11Å
416	E	74	Confident	63.5	Low	167 Å²	167	86.6 Å²	86.6	78%	0.78	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-17.9	-179.1	-65.9	-173.3	161.8	0	0	112.7	D413	D413-E416 HydrophobicContact CB-CB 4.41Å; D413-E416 HydrophobicContact CB-CG 4.2Å; D413-E416 PolarHBondContact O-N 3.06Å
417	A	70.8	Confident	65.2	Low	29 Å²	29	78.2 Å²	78.2	24%	0.24	43%	0.429	C	S	.	.			trans	-140.5	60.3	-175.4	0	0	0	0	0	114.2	D413 E419 C420 V421	D413-A417 PolarHBondContact O-N 3.31Å; A417-E419 PolarHBondContact O-N 2.93Å; A417-C420 HydrophobicContact CB-CB 3.79Å; A417-C420 VanDerWaalsContact O-CB 3.3Å; A417-C420 WeakPolarHBondContact O-CB 3.23Å; A417-C420 PolarHBondContact O-N 3.1Å; A417-C420 VanDerWaalsContact O-N 3.16Å; A417-V421 WeakPolarHBondContact O-CG2 3.33Å; A417-V421 PolarHBondContact O-N 3.02Å
418	P	71.8	Confident	66.6	Low	85 Å²	85	78.8 Å²	78.8	55%	0.552	43%	0.432	S	S	*	.	H	α-helix	trans	-60.8	-40	-177.9	23	-32.8	0	0	0	113.6	C420 V421 E422	P418-C420 VanDerWaalsContact C-N 3.27Å; P418-C420 PolarHBondContact O-N 3.15Å; P418-V421 PolarHBondContact O-N 2.98Å; P418-E422 PolarHBondContact O-N 2.85Å
419	E	70.9	Confident	67.4	Low	162 Å²	162	79.9 Å²	79.9	76%	0.757	44%	0.438	S	S	*	.	H	α-helix	trans	-62.9	-34.6	177.2	-69.6	-177.9	169	0	0	112.5	A417 S423	A417-E419 PolarHBondContact O-N 2.93Å; E419-S423 WeakPolarHBondContact O-CB 3Å; E419-S423 PolarHBondContact O-N 2.89Å; E419-S423 PolarHBondContact O-OG 2.99Å
420	C	70	Confident	68.2	Low	36 Å²	36	78.2 Å²	78.2	24%	0.243	43%	0.427	C	S	.	.	H	α-helix	trans	-64	-50	175.3	179	0	0	0	0	110	V409 C411 A417 P418 E422 S423 V424	V409-C420 WeakPolarHBondContact CG1-SG 3.43Å; C411-C420 WeakPolarHBondContact CA-SG 3.28Å; C411-C420 HydrophobicContact CB-CB 3.87Å; C411-C420 WeakPolarHBondContact CB-SG 3.39Å; C411-C420 WeakPolarHBondContact SG-CB 3.37Å; C411-C420 CovalentContact SG-SG 2.05Å; C411-C420 PolarHBondContact SG-SG 2.85Å; A417-C420 HydrophobicContact CB-CB 3.79Å; A417-C420 VanDerWaalsContact O-CB 3.3Å; A417-C420 WeakPolarHBondContact O-CB 3.23Å; A417-C420 PolarHBondContact O-N 3.1Å; A417-C420 VanDerWaalsContact O-N 3.16Å; P418-C420 VanDerWaalsContact C-N 3.27Å; P418-C420 PolarHBondContact O-N 3.15Å; C420-E422 VanDerWaalsContact C-N 3.29Å; C420-E422 PolarHBondContact O-N 3.32Å; C420-S423 WeakPolarHBondContact O-CB 3.37Å; C420-S423 PolarHBondContact O-N 3.49Å; C420-S423 VanDerWaalsContact O-N 3.13Å; C420-V424 WeakPolarHBondContact O-CG2 3.38Å; C420-V424 PolarHBondContact O-N 2.84Å
421	V	71.5	Confident	69	Low	58 Å²	58	74.6 Å²	74.6	35%	0.352	41%	0.405	S	S	.	.	H	α-helix	trans	-57.7	-43.2	-179.2	176.3	0	0	0	0	111.2	C411 P414 A417 P418 V424 R425	C411-V421 HydrophobicContact CB-CG2 3.98Å; C411-V421 PolarHBondContact SG-N 2.87Å; C411-V421 VanDerWaalsContact SG-N 3.41Å; P414-V421 HydrophobicContact CB-CG2 4.12Å; A417-V421 WeakPolarHBondContact O-CG2 3.33Å; A417-V421 PolarHBondContact O-N 3.02Å; P418-V421 PolarHBondContact O-N 2.98Å; V421-V424 PolarHBondContact O-N 3.36Å; V421-R425 WeakPolarHBondContact O-CB 3.42Å; V421-R425 PolarHBondContact O-N 2.78Å
422	E	70.7	Confident	69.6	Low	128 Å²	128	77.7 Å²	77.7	60%	0.598	42%	0.42	S	S	*	.	H	α-helix	trans	-65.1	-43.6	177.3	-159.5	163.9	-156	0	0	111.5	P418 C420 V424 R425 D426	P418-E422 PolarHBondContact O-N 2.85Å; C420-E422 VanDerWaalsContact C-N 3.29Å; C420-E422 PolarHBondContact O-N 3.32Å; E422-V424 PolarHBondContact O-N 3.36Å; E422-R425 WeakPolarHBondContact O-CB 3.38Å; E422-R425 PolarHBondContact O-N 3.02Å; E422-R425 VanDerWaalsContact O-N 3.15Å; E422-D426 PolarHBondContact O-N 3.24Å
423	S	66.9	Low	70.3	Confident	54 Å²	54	81.6 Å²	81.6	38%	0.378	42%	0.424	S	S	.	.	H	α-helix	trans	-61.5	-40.3	174.6	-57.4	0	0	0	0	112.8	E419 C420 R425 D426 I427	E419-S423 WeakPolarHBondContact O-CB 3Å; E419-S423 PolarHBondContact O-N 2.89Å; E419-S423 PolarHBondContact O-OG 2.99Å; C420-S423 WeakPolarHBondContact O-CB 3.37Å; C420-S423 PolarHBondContact O-N 3.49Å; C420-S423 VanDerWaalsContact O-N 3.13Å; S423-R425 VanDerWaalsContact C-N 3.33Å; S423-D426 PolarHBondContact O-N 2.75Å; S423-I427 VanDerWaalsContact O-CD1 3.31Å; S423-I427 WeakPolarHBondContact O-CD1 2.85Å; S423-I427 VanDerWaalsContact O-CG1 3.26Å; S423-I427 WeakPolarHBondContact O-CG1 3.13Å; S423-I427 PolarHBondContact O-N 2.75Å; S423-I427 VanDerWaalsContact O-N 3.14Å
424	V	68.9	Low	71.4	Confident	36 Å²	36	78.6 Å²	78.6	22%	0.218	41%	0.41	C	S	.	.	H	α-helix	trans	-62.2	-45.1	174.4	-162.1	0	0	0	0	110.5	V409 C411 C420 V421 E422 D426 I427 V428	V409-V424 HydrophobicContact CB-CB 4.26Å; V409-V424 HydrophobicContact CB-CG1 4.08Å; V409-V424 HydrophobicContact CB-CG2 3.38Å; V409-V424 HydrophobicContact CG1-CG2 3.62Å; V409-V424 HydrophobicContact CG2-CB 3.99Å; V409-V424 HydrophobicContact CG2-CG1 3.76Å; V409-V424 HydrophobicContact CG2-CG2 3.56Å; C411-V424 WeakPolarHBondContact SG-CG2 3.38Å; C420-V424 WeakPolarHBondContact O-CG2 3.38Å; C420-V424 PolarHBondContact O-N 2.84Å; V421-V424 PolarHBondContact O-N 3.36Å; E422-V424 PolarHBondContact O-N 3.36Å; V424-D426 VanDerWaalsContact C-N 3.29Å; V424-D426 PolarHBondContact O-N 2.83Å; V424-I427 WeakPolarHBondContact O-CB 2.92Å; V424-I427 PolarHBondContact O-N 3.43Å; V424-I427 VanDerWaalsContact O-N 3.16Å; V424-V428 HydrophobicContact CG1-CG2 4.3Å; V424-V428 WeakPolarHBondContact O-CG2 3.44Å; V424-V428 PolarHBondContact O-N 2.92Å
425	R	69.4	Low	72.7	Confident	173 Å²	173	76.7 Å²	76.7	65%	0.653	40%	0.397	S	S	*	.	H	α-helix	trans	-59.2	-45.4	-177.6	-176.2	-178.3	179.9	146.4	1.8	110.1	V421 E422 S423 I427 V428 I429	V421-R425 WeakPolarHBondContact O-CB 3.42Å; V421-R425 PolarHBondContact O-N 2.78Å; E422-R425 WeakPolarHBondContact O-CB 3.38Å; E422-R425 PolarHBondContact O-N 3.02Å; E422-R425 VanDerWaalsContact O-N 3.15Å; S423-R425 VanDerWaalsContact C-N 3.33Å; R425-I427 VanDerWaalsContact C-N 3.33Å; R425-I427 PolarHBondContact O-N 3.16Å; R425-V428 PolarHBondContact O-N 2.85Å; R425-I429 HydrophobicContact CG-CD1 3.85Å; R425-I429 HydrophobicContact CG-CG1 4.44Å; R425-I429 WeakPolarHBondContact O-CB 3.29Å; R425-I429 VanDerWaalsContact O-CG1 3.27Å; R425-I429 WeakPolarHBondContact O-CG1 3.37Å; R425-I429 PolarHBondContact O-N 3.25Å
426	D	67.6	Low	73.6	Confident	73 Å²	73	76.3 Å²	76.3	39%	0.39	40%	0.395	S	S	.	.	H	α-helix	trans	-65	-37.4	178.2	-69.1	-18.4	0	0	0	112	E422 S423 V424 Q430 M445	E422-D426 PolarHBondContact O-N 3.24Å; S423-D426 PolarHBondContact O-N 2.75Å; V424-D426 VanDerWaalsContact C-N 3.29Å; V424-D426 PolarHBondContact O-N 2.83Å; D426-Q430 VanDerWaalsContact O-CB 3.22Å; D426-Q430 WeakPolarHBondContact O-CB 3.02Å; D426-Q430 PolarHBondContact O-N 3.08Å; D426-M445 HydrophobicContact CB-CE 3.42Å; D426-M445 VanDerWaalsContact CB-CE 3.42Å; D426-M445 HydrophobicContact CB-SD 3.61Å; D426-M445 WeakPolarHBondContact O-CE 3.5Å
427	I	68.4	Low	74.3	Confident	9 Å²	9	70 Å²	70	5%	0.046	37%	0.367	C	S	.	.	H	α-helix	trans	-64	-43.5	174.2	-66.4	157.5	0	0	0	110.9	V409 S423 V424 R425 Q430 R431 M445 L448	V409-I427 HydrophobicContact CG2-CD1 4.29Å; S423-I427 VanDerWaalsContact O-CD1 3.31Å; S423-I427 WeakPolarHBondContact O-CD1 2.85Å; S423-I427 VanDerWaalsContact O-CG1 3.26Å; S423-I427 WeakPolarHBondContact O-CG1 3.13Å; S423-I427 PolarHBondContact O-N 2.75Å; S423-I427 VanDerWaalsContact O-N 3.14Å; V424-I427 WeakPolarHBondContact O-CB 2.92Å; V424-I427 PolarHBondContact O-N 3.43Å; V424-I427 VanDerWaalsContact O-N 3.16Å; R425-I427 VanDerWaalsContact C-N 3.33Å; R425-I427 PolarHBondContact O-N 3.16Å; I427-Q430 PolarHBondContact O-N 3.06Å; I427-R431 WeakPolarHBondContact O-CB 3.3Å; I427-R431 VanDerWaalsContact O-CG 3.27Å; I427-R431 WeakPolarHBondContact O-CG 3.18Å; I427-R431 PolarHBondContact O-N 3.25Å; I427-M445 HydrophobicContact CG1-CE 4.18Å; I427-M445 HydrophobicContact CG1-CG 4.27Å; I427-L448 HydrophobicContact CD1-CD2 3.32Å; I427-L448 HydrophobicContact CG1-CD2 4.24Å
428	V	69.2	Low	75.2	Confident	52 Å²	52	68.8 Å²	68.8	32%	0.315	36%	0.357	S	S	.	.	H	α-helix	trans	-66.3	-44.6	178.9	171.3	0	0	0	0	110.7	V424 R425 Q430 R431 L432	V424-V428 HydrophobicContact CG1-CG2 4.3Å; V424-V428 WeakPolarHBondContact O-CG2 3.44Å; V424-V428 PolarHBondContact O-N 2.92Å; R425-V428 PolarHBondContact O-N 2.85Å; V428-Q430 PolarHBondContact O-N 2.62Å; V428-R431 WeakPolarHBondContact O-CB 3.42Å; V428-R431 PolarHBondContact O-N 2.64Å; V428-L432 HydrophobicContact CG1-CD1 3.8Å; V428-L432 HydrophobicContact CG1-CG 4.48Å; V428-L432 WeakPolarHBondContact O-CG 3.37Å; V428-L432 PolarHBondContact O-N 2.94Å
429	I	69.2	Low	76	Confident	67 Å²	67	69.4 Å²	69.4	34%	0.344	35%	0.348	S	S	.	.	H	α-helix	trans	-59.4	-48.5	175.7	-70.3	168.9	0	0	0	109.8	R425 R431 L432 E433	R425-I429 HydrophobicContact CG-CD1 3.85Å; R425-I429 HydrophobicContact CG-CG1 4.44Å; R425-I429 WeakPolarHBondContact O-CB 3.29Å; R425-I429 VanDerWaalsContact O-CG1 3.27Å; R425-I429 WeakPolarHBondContact O-CG1 3.37Å; R425-I429 PolarHBondContact O-N 3.25Å; I429-R431 PolarHBondContact O-N 3.36Å; I429-L432 PolarHBondContact O-N 2.82Å; I429-E433 PolarHBondContact O-N 2.99Å
430	Q	69.2	Low	76.9	Confident	11 Å²	11	67.8 Å²	67.8	5%	0.051	34%	0.344	C	S	.	.	H	α-helix	trans	-63.7	-26.8	179.4	-175.9	57.2	72.3	0	0	113.4	D426 I427 V428 E433 M445 M449	D426-Q430 VanDerWaalsContact O-CB 3.22Å; D426-Q430 WeakPolarHBondContact O-CB 3.02Å; D426-Q430 PolarHBondContact O-N 3.08Å; I427-Q430 PolarHBondContact O-N 3.06Å; V428-Q430 PolarHBondContact O-N 2.62Å; Q430-E433 CarbonylContact C-O 3.36Å; Q430-E433 PolarHBondContact NE2-O 2.86Å; Q430-E433 VanDerWaalsContact O-O 3.12Å; Q430-M445 HydrophobicContact CB-CE 4.48Å; Q430-M449 HydrophobicContact CB-SD 4.49Å; Q430-M449 HydrophobicContact CG-CE 3.88Å; Q430-M449 HydrophobicContact CG-SD 3.85Å
431	R	74.2	Confident	77.5	Confident	30 Å²	30	67.6 Å²	67.6	11%	0.113	34%	0.34	C	S	.	.	H	α-helix	trans	-77.2	-34.9	172.2	-76.2	167.5	164.2	-152.4	-4.4	111.9	R293 A378 S380 I427 V428 I429	R293-R431 PolarHBondContact NH2-O 3.09Å; A378-R431 PolarHBondContact O-NH1 3.42Å; S380-R431 PolarHBondContact O-NH1 2.98Å; S380-R431 PolarHBondContact O-NH2 3.11Å; I427-R431 WeakPolarHBondContact O-CB 3.3Å; I427-R431 VanDerWaalsContact O-CG 3.27Å; I427-R431 WeakPolarHBondContact O-CG 3.18Å; I427-R431 PolarHBondContact O-N 3.25Å; V428-R431 WeakPolarHBondContact O-CB 3.42Å; V428-R431 PolarHBondContact O-N 2.64Å; I429-R431 PolarHBondContact O-N 3.36Å
432	L	73.5	Confident	78.1	Confident	90 Å²	90	68.7 Å²	68.7	47%	0.471	34%	0.344	S	S	.	.	H	α-helix	trans	-78	-39.8	-179.9	-76.1	165.9	0	0	0	112	A378 V428 I429	A378-L432 HydrophobicContact CB-CD2 3.42Å; A378-L432 VanDerWaalsContact CB-CD2 3.42Å; A378-L432 HydrophobicContact CB-CG 4Å; V428-L432 HydrophobicContact CG1-CD1 3.8Å; V428-L432 HydrophobicContact CG1-CG 4.48Å; V428-L432 WeakPolarHBondContact O-CG 3.37Å; V428-L432 PolarHBondContact O-N 2.94Å; I429-L432 PolarHBondContact O-N 2.82Å
433	E	83.2	Confident	78.6	Confident	132 Å²	132	68.5 Å²	68.5	62%	0.617	34%	0.343	S	S	*	.	S	Bend	trans	-136.4	152.1	-168.5	-66.1	178.7	-175.6	0	0	111.8	I429 Q430	I429-E433 PolarHBondContact O-N 2.99Å; Q430-E433 CarbonylContact C-O 3.36Å; Q430-E433 PolarHBondContact NE2-O 2.86Å; Q430-E433 VanDerWaalsContact O-O 3.12Å
434	C	89.5	Confident	79.1	Confident	19 Å²	19	71.9 Å²	71.9	13%	0.128	36%	0.357	C	S	.	.			trans	-86.2	128.6	176.3	-65.3	0	0	0	0	111.2	D267 F268 C295 N297	D267-C434 HydrophobicContact CB-CB 4.45Å; F268-C434 WeakPolarHBondContact CE1-SG 3.43Å; C295-C434 WeakPolarHBondContact CA-SG 3.27Å; C295-C434 HydrophobicContact CB-CB 3.77Å; C295-C434 WeakPolarHBondContact CB-SG 3.48Å; C295-C434 WeakPolarHBondContact SG-CA 3.49Å; C295-C434 WeakPolarHBondContact SG-CB 3.31Å; C295-C434 CovalentContact SG-SG 2.05Å; C295-C434 PolarHBondContact SG-SG 2.9Å; N297-C434 WeakPolarHBondContact OD1-CB 3.26Å
435	V	88.4	Confident	79.4	Confident	44 Å²	44	70.8 Å²	70.8	27%	0.267	35%	0.35	S	S	.	.			trans	-75	149.9	174.1	-69.2	0	0	0	0	111.1	N297 D437 L441	N297-V435 PolarHBondContact ND2-O 3.32Å; V435-D437 VanDerWaalsContact C-N 3.32Å; V435-D437 PolarHBondContact O-N 3.21Å; V435-L441 HydrophobicContact CG1-CD2 4.24Å; V435-L441 HydrophobicContact CG2-CD1 4.2Å; V435-L441 HydrophobicContact CG2-CD2 4.09Å; V435-L441 HydrophobicContact CG2-CG 4.21Å
436	N	87.6	Confident	80	Confident	148 Å²	148	63.2 Å²	63.2	79%	0.791	32%	0.323	S	S	*	.	S	Bend	trans	-61.5	-36.5	-179.2	-70.8	-27.2	0	0	0	113.7
437	D	89.2	Confident	80.6	Confident	35 Å²	35	63.1 Å²	63.1	19%	0.187	33%	0.328	C	S	.	.			trans	-143	100.2	177.3	-165.6	-13.4	0	0	0	111	R299 V435 R439 L440	R299-D437 IonicContact NH1-OD2 3.76Å; V435-D437 VanDerWaalsContact C-N 3.32Å; V435-D437 PolarHBondContact O-N 3.21Å; D437-R439 PolarHBondContact O-N 3.35Å; D437-R439 WeakPolarHBondContact OD1-CB 3.46Å; D437-R439 WeakPolarHBondContact OD1-CG 3.45Å; D437-R439 IonicContact OD1-CZ 2.7Å; D437-R439 PolarHBondContact OD1-N 3Å; D437-R439 IonicContact OD1-NE 2.65Å; D437-R439 PolarHBondContact OD1-NE 3.15Å; D437-R439 IonicContact OD1-NH2 2.89Å; D437-R439 IonicContact OD2-CZ 3.5Å; D437-R439 IonicContact OD2-NE 2.68Å; D437-R439 PolarHBondContact OD2-NE 3.07Å; D437-R439 IonicContact OD2-NH2 3.15Å; D437-R439 PolarHBondContact OD2-NH2 3.37Å; D437-L440 HydrophobicContact CB-CD1 4.14Å; D437-L440 HydrophobicContact CB-CG 4.19Å; D437-L440 WeakPolarHBondContact O-CB 3.38Å; D437-L440 PolarHBondContact O-N 2.89Å
438	S	90.8	Very high	81	Confident	3 Å²	3	64.7 Å²	64.7	2%	0.021	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-59.5	-19.1	-179.8	62.2	0	0	0	0	113.9	D298 R299 G300 T308 L440 L441	D298-S438 WeakPolarHBondContact OD1-CB 3.27Å; D298-S438 PolarHBondContact OD1-OG 3.18Å; D298-S438 VanDerWaalsContact OD1-OG 3.1Å; R299-S438 WeakPolarHBondContact CA-OG 3.48Å; R299-S438 PolarHBondContact N-OG 3.16Å; G300-S438 PolarHBondContact N-OG 3.36Å; G300-S438 VanDerWaalsContact N-OG 3.1Å; G300-S438 CarbonylContact O-C 3.6Å; G300-S438 PolarHBondContact O-OG 3.13Å; T308-S438 VanDerWaalsContact OG1-CB 3.29Å; T308-S438 WeakPolarHBondContact OG1-CB 3.49Å; S438-L440 PolarHBondContact O-N 3.16Å; S438-L441 WeakPolarHBondContact O-CB 3.35Å; S438-L441 VanDerWaalsContact O-CG 3.29Å; S438-L441 WeakPolarHBondContact O-CG 2.95Å; S438-L441 PolarHBondContact O-N 3.42Å
439	R	88.8	Confident	81.4	Confident	98 Å²	98	62.7 Å²	62.7	37%	0.37	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-70.4	-15.6	178	-59.8	171.4	-63.4	176.3	5.3	112.1	R299 G300 K302 D437	R299-R439 HydrophobicContact CB-CG 4.03Å; R299-R439 VanDerWaalsContact NH1-NH2 3.18Å; G300-R439 PolarHBondContact O-N 2.89Å; K302-R439 WeakPolarHBondContact CE-O 3.46Å; K302-R439 HydrophobicContact CG-CB 4.05Å; K302-R439 WeakPolarHBondContact CG-O 3.33Å; D437-R439 PolarHBondContact O-N 3.35Å; D437-R439 WeakPolarHBondContact OD1-CB 3.46Å; D437-R439 WeakPolarHBondContact OD1-CG 3.45Å; D437-R439 IonicContact OD1-CZ 2.7Å; D437-R439 PolarHBondContact OD1-N 3Å; D437-R439 IonicContact OD1-NE 2.65Å; D437-R439 PolarHBondContact OD1-NE 3.15Å; D437-R439 IonicContact OD1-NH2 2.89Å; D437-R439 IonicContact OD2-CZ 3.5Å; D437-R439 IonicContact OD2-NE 2.68Å; D437-R439 PolarHBondContact OD2-NE 3.07Å; D437-R439 IonicContact OD2-NH2 3.15Å; D437-R439 PolarHBondContact OD2-NH2 3.37Å
440	L	87.8	Confident	82	Confident	127 Å²	127	61.6 Å²	61.6	67%	0.665	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-89.9	-2.8	177.4	-57.6	-179.4	0	0	0	113.1	D437 S438	D437-L440 HydrophobicContact CB-CD1 4.14Å; D437-L440 HydrophobicContact CB-CG 4.19Å; D437-L440 WeakPolarHBondContact O-CB 3.38Å; D437-L440 PolarHBondContact O-N 2.89Å; S438-L440 PolarHBondContact O-N 3.16Å
441	L	84.3	Confident	82.6	Confident	32 Å²	32	63.7 Å²	63.7	17%	0.168	34%	0.336	C	S	.	.	S	Bend	trans	-65.3	149.7	178.5	-67	173.3	0	0	0	112.4	V435 S438 V446	V435-L441 HydrophobicContact CG1-CD2 4.24Å; V435-L441 HydrophobicContact CG2-CD1 4.2Å; V435-L441 HydrophobicContact CG2-CD2 4.09Å; V435-L441 HydrophobicContact CG2-CG 4.21Å; S438-L441 WeakPolarHBondContact O-CB 3.35Å; S438-L441 VanDerWaalsContact O-CG 3.29Å; S438-L441 WeakPolarHBondContact O-CG 2.95Å; S438-L441 PolarHBondContact O-N 3.42Å; L441-V446 HydrophobicContact CB-CG2 3.73Å; L441-V446 HydrophobicContact CD1-CG2 4.22Å
442	N	82.8	Confident	83	Confident	82 Å²	82	64.4 Å²	64.4	44%	0.439	34%	0.34	S	S	.	.			trans	-63.7	133.4	173	-176.4	-17.4	0	0	0	110.3	D444 M445 V446	N442-D444 VanDerWaalsContact C-N 3.26Å; N442-D444 PolarHBondContact O-N 3.14Å; N442-D444 PolarHBondContact OD1-N 3.38Å; N442-M445 HydrophobicContact CB-CB 4.37Å; N442-M445 HydrophobicContact CB-CG 4.07Å; N442-M445 HydrophobicContact CB-SD 3.99Å; N442-M445 PolarHBondContact O-N 3.48Å; N442-V446 WeakPolarHBondContact O-CG2 3.13Å; N442-V446 PolarHBondContact O-N 2.84Å
443	E	81	Confident	83.6	Confident	123 Å²	123	60.3 Å²	60.3	58%	0.575	32%	0.319	S	S	*	.	H	α-helix	trans	-59	-35.2	179.5	-66.1	-165.2	164.7	0	0	112.4	K303 V446 S447	K303-E443 IonicContact NZ-OE1 3.65Å; K303-E443 PolarHBondContact NZ-OE1 3.41Å; K303-E443 IonicContact NZ-OE2 2.64Å; E443-V446 PolarHBondContact O-N 2.99Å; E443-S447 WeakPolarHBondContact O-CB 3.47Å; E443-S447 PolarHBondContact O-N 3.23Å
444	D	77.7	Confident	84	Confident	126 Å²	126	54.4 Å²	54.4	67%	0.674	29%	0.292	S	S	*	.	H	α-helix	trans	-66.3	-43.5	178.9	-69.5	-31.5	0	0	0	111.4	N442 S447 L448	N442-D444 VanDerWaalsContact C-N 3.26Å; N442-D444 PolarHBondContact O-N 3.14Å; N442-D444 PolarHBondContact OD1-N 3.38Å; D444-S447 PolarHBondContact O-N 3.45Å; D444-L448 WeakPolarHBondContact O-CB 3.34Å; D444-L448 PolarHBondContact O-N 3Å
445	M	75.3	Confident	84	Confident	12 Å²	12	53.7 Å²	53.7	6%	0.059	29%	0.287	C	S	.	.	H	α-helix	trans	-62.9	-45	175.4	-68.6	175.9	61.5	0	0	111.5	D426 I427 Q430 N442 L448 M449	D426-M445 HydrophobicContact CB-CE 3.42Å; D426-M445 VanDerWaalsContact CB-CE 3.42Å; D426-M445 HydrophobicContact CB-SD 3.61Å; D426-M445 WeakPolarHBondContact O-CE 3.5Å; I427-M445 HydrophobicContact CG1-CE 4.18Å; I427-M445 HydrophobicContact CG1-CG 4.27Å; Q430-M445 HydrophobicContact CB-CE 4.48Å; N442-M445 HydrophobicContact CB-CB 4.37Å; N442-M445 HydrophobicContact CB-CG 4.07Å; N442-M445 HydrophobicContact CB-SD 3.99Å; N442-M445 PolarHBondContact O-N 3.48Å; M445-L448 WeakPolarHBondContact O-CB 3.15Å; M445-L448 PolarHBondContact O-N 3.47Å; M445-M449 WeakPolarHBondContact O-CG 3.24Å; M445-M449 PolarHBondContact O-N 3.01Å
446	V	81.5	Confident	84	Confident	15 Å²	15	56.7 Å²	56.7	9%	0.091	30%	0.296	C	S	.	.	H	α-helix	trans	-63.3	-44.8	178	175.4	0	0	0	0	110.6	T301 T308 L441 N442 E443 L448 M449 T450	T301-V446 HydrophobicContact CG2-CG1 3.7Å; T308-V446 HydrophobicContact CG2-CG1 4.09Å; T308-V446 HydrophobicContact CG2-CG2 4.18Å; L441-V446 HydrophobicContact CB-CG2 3.73Å; L441-V446 HydrophobicContact CD1-CG2 4.22Å; N442-V446 WeakPolarHBondContact O-CG2 3.13Å; N442-V446 PolarHBondContact O-N 2.84Å; E443-V446 PolarHBondContact O-N 2.99Å; V446-L448 PolarHBondContact O-N 2.8Å; V446-M449 PolarHBondContact O-N 2.93Å; V446-T450 HydrophobicContact CG1-CG2 4.04Å; V446-T450 WeakPolarHBondContact O-CB 3.1Å; V446-T450 VanDerWaalsContact O-CG2 3.27Å; V446-T450 WeakPolarHBondContact O-CG2 3.15Å; V446-T450 PolarHBondContact O-N 2.61Å; V446-T450 PolarHBondContact O-OG1 3.23Å
447	S	81.3	Confident	84.2	Confident	70 Å²	70	53.4 Å²	53.4	49%	0.49	28%	0.279	S	S	.	.	H	α-helix	trans	-59.5	-38.2	177.5	-175.9	0	0	0	0	111.7	E443 D444 T450 S451	E443-S447 WeakPolarHBondContact O-CB 3.47Å; E443-S447 PolarHBondContact O-N 3.23Å; D444-S447 PolarHBondContact O-N 3.45Å; S447-T450 PolarHBondContact O-OG1 3.19Å; S447-S451 WeakPolarHBondContact O-CB 3.31Å; S447-S451 PolarHBondContact O-N 3.5Å; S447-S451 PolarHBondContact O-OG 3.04Å
448	L	77	Confident	84.5	Confident	42 Å²	42	53.5 Å²	53.5	22%	0.22	28%	0.284	C	S	.	.	H	α-helix	trans	-68.2	-49.4	179.6	-173.4	67.5	0	0	0	112.6	I408 I427 D444 M445 V446 S451 H452	I408-L448 HydrophobicContact CD1-CD1 3.35Å; I408-L448 HydrophobicContact CD1-CG 3.87Å; I408-L448 HydrophobicContact CG1-CD1 3.72Å; I408-L448 HydrophobicContact CG1-CG 4.44Å; I408-L448 HydrophobicContact CG2-CD1 4.08Å; I408-L448 HydrophobicContact CG2-CD2 3.6Å; I408-L448 HydrophobicContact CG2-CG 4.03Å; I427-L448 HydrophobicContact CD1-CD2 3.32Å; I427-L448 HydrophobicContact CG1-CD2 4.24Å; D444-L448 WeakPolarHBondContact O-CB 3.34Å; D444-L448 PolarHBondContact O-N 3Å; M445-L448 WeakPolarHBondContact O-CB 3.15Å; M445-L448 PolarHBondContact O-N 3.47Å; V446-L448 PolarHBondContact O-N 2.8Å; L448-S451 PolarHBondContact O-N 2.9Å; L448-S451 PolarHBondContact O-OG 3.42Å; L448-H452 PolarHBondContact O-N 3.12Å
449	M	77.8	Confident	84.9	Confident	10 Å²	10	53.4 Å²	53.4	5%	0.049	28%	0.283	C	S	.	.	H	α-helix	trans	-64.1	-43.8	178.3	-67.7	-172.6	-66.6	0	0	111.5	T308 F382 Q430 M445 V446 H452	T308-M449 WeakPolarHBondContact O-CE 3.28Å; F382-M449 HydrophobicContact CZ-CG 4.4Å; Q430-M449 HydrophobicContact CB-SD 4.49Å; Q430-M449 HydrophobicContact CG-CE 3.88Å; Q430-M449 HydrophobicContact CG-SD 3.85Å; M445-M449 WeakPolarHBondContact O-CG 3.24Å; M445-M449 PolarHBondContact O-N 3.01Å; V446-M449 PolarHBondContact O-N 2.93Å; M449-H452 CarbonylContact O-C 3.49Å; M449-H452 PolarHBondContact O-N 3.47Å
450	T	82.1	Confident	85.2	Confident	45 Å²	45	51.3 Å²	51.3	28%	0.276	28%	0.283	S	S	.	.	H	α-helix	trans	-72.6	-28.6	-178.4	55.9	0	0	0	0	113.3	W307 V446 S447	W307-T450 WeakPolarHBondContact O-CG2 3.27Å; V446-T450 HydrophobicContact CG1-CG2 4.04Å; V446-T450 WeakPolarHBondContact O-CB 3.1Å; V446-T450 VanDerWaalsContact O-CG2 3.27Å; V446-T450 WeakPolarHBondContact O-CG2 3.15Å; V446-T450 PolarHBondContact O-N 2.61Å; V446-T450 PolarHBondContact O-OG1 3.23Å; S447-T450 PolarHBondContact O-OG1 3.19Å
451	S	81.3	Confident	85.5	Confident	55 Å²	55	46.2 Å²	46.2	39%	0.385	26%	0.26	S	S	.	.	H	α-helix	trans	-77.2	-24.6	175.6	56.8	0	0	0	0	113.6	S447 L448	S447-S451 WeakPolarHBondContact O-CB 3.31Å; S447-S451 PolarHBondContact O-N 3.5Å; S447-S451 PolarHBondContact O-OG 3.04Å; L448-S451 PolarHBondContact O-N 2.9Å; L448-S451 PolarHBondContact O-OG 3.42Å
452	H	81.4	Confident	85.8	Confident	45 Å²	45	46.7 Å²	46.7	21%	0.208	27%	0.269	C	S	.	.			trans	-130.8	66	-178.2	-57	86.4	0	0	0	112.2	F382 L384 I408 L448 M449 L454	F382-H452 HydrophobicContact CB-CB 3.8Å; F382-H452 HydrophobicContact CD1-CB 4.47Å; F382-H452 WeakPolarHBondContact CD1-O 3.47Å; F382-H452 HydrophobicContact CD2-CB 4.37Å; F382-H452 WeakPolarHBondContact CE1-O 3.42Å; F382-H452 HydrophobicContact CG-CB 4.01Å; F382-H452 VanDerWaalsContact CG-O 3.32Å; F382-H452 WeakPolarHBondContact CG-O 3.28Å; L384-H452 WeakPolarHBondContact CD2-NE2 3.47Å; I408-H452 HydrophobicContact CD1-CB 4.14Å; L448-H452 PolarHBondContact O-N 3.12Å; M449-H452 CarbonylContact O-C 3.49Å; M449-H452 PolarHBondContact O-N 3.47Å; H452-L454 PolarHBondContact O-N 3.33Å
453	P	87.4	Confident	86.1	Confident	4 Å²	4	43.5 Å²	43.5	3%	0.026	25%	0.253	C	S	.	.			trans	-72	-14.2	-174.5	31.4	-39.7	0	0	0	114.1	L253 F310 V311 K312	L253-P453 HydrophobicContact CD2-CB 3.64Å; L253-P453 HydrophobicContact CD2-CG 3.6Å; L253-P453 HydrophobicContact CG-CG 4.41Å; F310-P453 HydrophobicContact CD1-CB 3.74Å; F310-P453 HydrophobicContact CE1-CB 3.89Å; V311-P453 CarbonylContact C-O 3.55Å; V311-P453 WeakPolarHBondContact CA-O 3.42Å; V311-P453 WeakPolarHBondContact CG2-O 3.26Å; K312-P453 PolarHBondContact N-O 2.98Å
454	L	90.5	Very high	86.4	Confident	8 Å²	8	45.8 Å²	45.8	4%	0.042	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	125	-174.7	174.2	64.5	0	0	0	110.5	E279 K312 F382 K383 H452	E279-L454 HydrophobicContact CG-CD2 3.81Å; E279-L454 VanDerWaalsContact OE1-CD2 3.25Å; E279-L454 WeakPolarHBondContact OE1-CD2 3.48Å; K312-L454 HydrophobicContact CG-CB 4.39Å; K312-L454 HydrophobicContact CG-CD1 4.06Å; K312-L454 WeakPolarHBondContact O-CA 3.23Å; F382-L454 WeakPolarHBondContact CA-O 3.24Å; K383-L454 HydrophobicContact CB-CD2 4.11Å; K383-L454 HydrophobicContact CB-CG 4.07Å; K383-L454 HydrophobicContact CD-CD2 3.84Å; K383-L454 HydrophobicContact CD-CG 4.46Å; K383-L454 HydrophobicContact CG-CD2 4.39Å; K383-L454 PolarHBondContact N-O 3.41Å; H452-L454 PolarHBondContact O-N 3.33Å
455	V	89.9	Confident	87	Confident	3 Å²	3	40.1 Å²	40.1	2%	0.018	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	151.1	170	-60.3	0	0	0	0	111.8	V311 K312 A313 T376 F377 D381 F382	V311-V455 HydrophobicContact CG2-CG1 3.74Å; K312-V455 WeakPolarHBondContact O-CG2 3.45Å; K312-V455 PolarHBondContact O-N 2.65Å; A313-V455 HydrophobicContact CB-CG2 3.36Å; T376-V455 HydrophobicContact CG2-CG2 4.04Å; F377-V455 HydrophobicContact CD1-CG1 4.36Å; D381-V455 WeakPolarHBondContact O-CA 3.2Å; F382-V455 HydrophobicContact CD1-CG1 4.22Å; F382-V455 HydrophobicContact CE1-CG1 4.42Å
456	K	88.6	Confident	87.9	Confident	108 Å²	108	39.8 Å²	39.8	47%	0.47	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	-44.5	-176.3	178.2	-171.5	170.1	-163.1	0	112.1	S380 D381	S380-K456 PolarHBondContact OG-N 3.07Å; D381-K456 HydrophobicContact CB-CB 4.38Å; D381-K456 HydrophobicContact CB-CD 4.29Å; D381-K456 VanDerWaalsContact O-CB 3.28Å; D381-K456 WeakPolarHBondContact O-CB 3.44Å; D381-K456 PolarHBondContact O-N 3.12Å
457	D	92.8	Very high	88.5	Confident	79 Å²	79	39.7 Å²	39.7	42%	0.422	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	144.6	-175.7	-59.8	-32.4	0	0	0	110.5	T376 S380	T376-D457 HydrophobicContact CG2-CB 4.38Å; S380-D457 WeakPolarHBondContact OG-CB 3.43Å; S380-D457 PolarHBondContact OG-N 3.4Å; S380-D457 PolarHBondContact OG-OD2 2.66Å
458	A	95.3	Very high	89.2	Confident	37 Å²	37	36.5 Å²	36.5	31%	0.306	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	142.6	173.8	0	0	0	0	0	109.5	R314 N316 P460	R314-A458 HydrophobicContact CB-CB 3.95Å; R314-A458 HydrophobicContact CG-CB 4.26Å; R314-A458 CarbonylContact O-C 3.41Å; R314-A458 VanDerWaalsContact O-CA 3.27Å; R314-A458 WeakPolarHBondContact O-CA 3.19Å; N316-A458 HydrophobicContact CB-CB 4.06Å; A458-P460 WeakPolarHBondContact O-CD 3.19Å
459	V	97.7	Very high	89.9	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	120.8	172.9	-176.6	0	0	0	0	108.3	V291 A313 R314 L315 N316 F368 I373 T376	V291-V459 HydrophobicContact CG1-CG2 4.06Å; A313-V459 HydrophobicContact CB-CG2 3.82Å; R314-V459 PolarHBondContact O-N 3.02Å; L315-V459 HydrophobicContact CD2-CB 4.18Å; L315-V459 HydrophobicContact CD2-CG1 4.5Å; L315-V459 HydrophobicContact CD2-CG2 4.48Å; N316-V459 WeakPolarHBondContact CB-O 3.32Å; N316-V459 PolarHBondContact N-O 3.24Å; F368-V459 HydrophobicContact CD1-CB 4.47Å; F368-V459 HydrophobicContact CD1-CG1 3.85Å; I373-V459 HydrophobicContact CB-CG1 4.43Å; I373-V459 HydrophobicContact CG1-CB 4.49Å; I373-V459 HydrophobicContact CG1-CG1 3.51Å; I373-V459 HydrophobicContact CG1-CG2 4.23Å; T376-V459 HydrophobicContact CG2-CG2 4.12Å
460	P	95.3	Very high	90.5	Very high	55 Å²	55	34.8 Å²	34.8	36%	0.357	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	149.9	176.8	31.1	-34.7	0	0	0	111.1	F368 D372 A458	F368-P460 WeakPolarHBondContact CD1-O 3.3Å; D372-P460 HydrophobicContact CB-CG 4.21Å; A458-P460 WeakPolarHBondContact O-CD 3.19Å
461	G	93.8	Very high	90.8	Very high	19 Å²	19	35 Å²	35	20%	0.196	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-67	153.4	165.8	0	0	0	0	0	111.4	A367 S463	A367-G461 CarbonylContact O-C 2.6Å; A367-G461 WeakPolarHBondContact O-CA 3.37Å; G461-S463 PolarHBondContact O-N 3.41Å
462	A	91.7	Very high	90.6	Very high	43 Å²	43	33.2 Å²	33.2	36%	0.355	19%	0.188	S	C	.	.	S	Bend	trans	-61.4	-24.1	176.4	0	0	0	0	0	112.6	L348 A367 R369	L348-A462 HydrophobicContact CD2-CB 3.92Å; A367-A462 HydrophobicContact CB-CB 4.11Å; A367-A462 WeakPolarHBondContact O-CB 3.04Å; A367-A462 PolarHBondContact O-N 3.49Å; R369-A462 HydrophobicContact CG-CB 4.01Å
463	S	89.6	Confident	90.4	Very high	15 Å²	15	38.4 Å²	38.4	11%	0.105	22%	0.217	C	C	.	.	S	Bend	trans	-117	154.3	172.9	50.5	0	0	0	0	110.9	G461 S465 L467	G461-S463 PolarHBondContact O-N 3.41Å; S463-S465 WeakPolarHBondContact CB-O 3.35Å; S463-S465 PolarHBondContact O-N 3.01Å; S463-S465 PolarHBondContact OG-O 2.96Å; S463-L467 WeakPolarHBondContact OG-CD2 3.46Å
464	K	86	Confident	90.1	Very high	171 Å²	171	38.8 Å²	38.8	74%	0.743	22%	0.22	S	C	*	.	S	Bend	trans	-65	-20.6	179.1	-70.3	-175.7	178.8	178.8	0	114	G517	K464-G517 PolarHBondContact N-O 3.33Å
465	S	90.1	Very high	90	Very high	6 Å²	6	38.6 Å²	38.6	4%	0.042	22%	0.22	C	C	.	.	S	Bend	trans	-133.9	163.1	177.9	56.8	0	0	0	0	109.5	S463 S652	S463-S465 WeakPolarHBondContact CB-O 3.35Å; S463-S465 PolarHBondContact O-N 3.01Å; S463-S465 PolarHBondContact OG-O 2.96Å; S465-S652 VanDerWaalsContact CB-OG 3.29Å; S465-S652 WeakPolarHBondContact CB-OG 3.45Å; S465-S652 PolarHBondContact OG-OG 3.28Å
466	P	94.6	Very high	90.2	Very high	6 Å²	6	41.3 Å²	41.3	4%	0.039	23%	0.23	C	C	.	.			trans	-60.4	145.6	175.5	-19.2	33.3	0	0	0	110.7	S318 F327 A364 I365 L468 V469	S318-P466 WeakPolarHBondContact O-CD 3.42Å; F327-P466 HydrophobicContact CD2-CG 4.38Å; F327-P466 HydrophobicContact CE2-CG 4.04Å; A364-P466 HydrophobicContact CB-CB 3.93Å; A364-P466 HydrophobicContact CB-CG 4.24Å; I365-P466 CarbonylContact O-C 3.43Å; I365-P466 WeakPolarHBondContact O-CA 3.33Å; I365-P466 WeakPolarHBondContact O-CB 3.4Å; P466-L468 PolarHBondContact O-N 3.25Å; P466-V469 HydrophobicContact CB-CG2 3.82Å; P466-V469 HydrophobicContact CG-CG2 3.92Å
467	L	94.4	Very high	90.6	Very high	12 Å²	12	36.2 Å²	36.2	6%	0.063	21%	0.207	C	C	.	.	S	Bend	trans	-61.9	-33.5	179.4	-64.2	-177.7	0	0	0	112	Y350 I365 A367 S463 M497 N511 T519 P521	Y350-L467 HydrophobicContact CD1-CD1 3.67Å; Y350-L467 HydrophobicContact CE1-CD1 3.46Å; Y350-L467 VanDerWaalsContact CE1-CD1 3.46Å; I365-L467 HydrophobicContact CB-CB 4.47Å; I365-L467 HydrophobicContact CG2-CB 4.43Å; I365-L467 HydrophobicContact CG2-CD1 4.38Å; I365-L467 PolarHBondContact O-N 3.05Å; A367-L467 HydrophobicContact CB-CD1 3.79Å; S463-L467 WeakPolarHBondContact OG-CD2 3.46Å; L467-M497 HydrophobicContact CD1-SD 4.23Å; L467-N511 WeakPolarHBondContact CA-ND2 3.17Å; L467-N511 WeakPolarHBondContact CB-ND2 3.39Å; L467-N511 WeakPolarHBondContact CD2-ND2 3.27Å; L467-N511 PolarHBondContact O-ND2 3.04Å; L467-N511 VanDerWaalsContact O-ND2 3.13Å; L467-T519 HydrophobicContact CD2-CG2 4.46Å; L467-T519 WeakPolarHBondContact CD2-OG1 3.24Å; L467-P521 VanDerWaalsContact O-CB 3.28Å; L467-P521 WeakPolarHBondContact O-CB 3.47Å; L467-P521 WeakPolarHBondContact O-CG 3.27Å
468	L	94.9	Very high	90.7	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.016	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	140.6	177.4	-178.8	69	0	0	0	108.9	A364 I365 P466 F477 I499 L507 V509 P521 L649	A364-L468 CarbonylContact C-O 3.56Å; A364-L468 WeakPolarHBondContact CA-O 3.44Å; I365-L468 HydrophobicContact CB-CB 4.24Å; I365-L468 HydrophobicContact CG1-CB 4.16Å; I365-L468 HydrophobicContact CG1-CD2 4.39Å; I365-L468 PolarHBondContact N-O 2.87Å; P466-L468 PolarHBondContact O-N 3.25Å; L468-F477 HydrophobicContact CD2-CE2 3.84Å; L468-F477 HydrophobicContact CD2-CZ 3.58Å; L468-F477 HydrophobicContact CG-CE2 4.29Å; L468-F477 HydrophobicContact CG-CZ 4.22Å; L468-I499 HydrophobicContact CD2-CD1 3.41Å; L468-I499 VanDerWaalsContact CD2-CD1 3.41Å; L468-L507 HydrophobicContact CD2-CD2 4.39Å; L468-V509 HydrophobicContact CD2-CG2 4.06Å; L468-P521 HydrophobicContact CD1-CB 3.99Å; L468-P521 HydrophobicContact CD1-CG 4.28Å; L468-L649 HydrophobicContact CD1-CD1 3.56Å
469	V	92.9	Very high	90.7	Very high	14 Å²	14	33.6 Å²	33.6	9%	0.085	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	131.6	169.7	179.3	0	0	0	0	108.8	F327 S363 A364 P466 M650	F327-V469 HydrophobicContact CE1-CG1 4.36Å; F327-V469 HydrophobicContact CE2-CG2 4.39Å; F327-V469 HydrophobicContact CZ-CG1 3.81Å; F327-V469 HydrophobicContact CZ-CG2 4.1Å; S363-V469 WeakPolarHBondContact O-CA 3.11Å; A364-V469 HydrophobicContact CB-CG2 4.24Å; P466-V469 HydrophobicContact CB-CG2 3.82Å; P466-V469 HydrophobicContact CG-CG2 3.92Å; V469-M650 HydrophobicContact CG1-CB 4.4Å
470	M	91.2	Very high	90.6	Very high	3 Å²	3	34 Å²	34	2%	0.015	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	139.4	178	-174.1	164.2	-68.6	0	0	111.1	S362 S363 S474 F477 L507 L644	S362-M470 CarbonylContact C-O 3.5Å; S362-M470 VanDerWaalsContact CA-O 3.3Å; S362-M470 WeakPolarHBondContact CA-O 3.42Å; S363-M470 PolarHBondContact N-O 2.96Å; S363-M470 PolarHBondContact O-N 2.74Å; M470-S474 WeakPolarHBondContact SD-CB 3.34Å; M470-F477 HydrophobicContact CB-CE1 3.95Å; M470-F477 HydrophobicContact CB-CE2 4.27Å; M470-F477 HydrophobicContact CB-CZ 3.5Å; M470-F477 HydrophobicContact CE-CE1 4.41Å; M470-F477 HydrophobicContact CE-CZ 4.34Å; M470-F477 HydrophobicContact CG-CE1 4.37Å; M470-F477 HydrophobicContact CG-CZ 4.35Å; M470-F477 HydrophobicContact SD-CE1 3.74Å; M470-F477 HydrophobicContact SD-CZ 4.1Å; M470-L507 HydrophobicContact CE-CD2 3.28Å; M470-L507 HydrophobicContact SD-CD2 3.91Å; M470-L644 HydrophobicContact CE-CD2 3.48Å; M470-L644 VanDerWaalsContact CE-CD2 3.48Å; M470-L644 HydrophobicContact SD-CD2 4.23Å
471	L	87.8	Confident	90.6	Very high	49 Å²	49	31.7 Å²	31.7	26%	0.257	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	146.2	174.2	-59.8	177.7	0	0	0	110.8	N473 S474 D648	L471-N473 PolarHBondContact O-N 3.09Å; L471-N473 VanDerWaalsContact O-N 3.11Å; L471-S474 PolarHBondContact O-N 2.96Å; L471-S474 VanDerWaalsContact O-N 3.14Å; L471-D648 PolarHBondContact N-O 3.35Å
472	G	76.2	Confident	90.6	Very high	18 Å²	18	31.8 Å²	31.8	19%	0.186	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-66.7	-16.6	-168.4	0	0	0	0	0	115.3	P361 S474 G475	P361-G472 VanDerWaalsContact O-CA 3.25Å; P361-G472 WeakPolarHBondContact O-CA 3.18Å; P361-G472 PolarHBondContact O-N 2.81Å; G472-S474 PolarHBondContact O-N 3.2Å; G472-G475 PolarHBondContact O-N 2.99Å
473	N	78.7	Confident	90.7	Very high	154 Å²	154	30 Å²	30	82%	0.824	16%	0.156	S	C	*	.	G	3₁₀ helix	trans	-61.6	-24.7	174.3	-68.6	15.2	0	0	0	112.2	L471 G475	L471-N473 PolarHBondContact O-N 3.09Å; L471-N473 VanDerWaalsContact O-N 3.11Å; N473-G475 VanDerWaalsContact C-N 3.32Å
474	S	80.6	Confident	90.7	Very high	12 Å²	12	31.7 Å²	31.7	8%	0.084	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-83.6	-8.5	177.3	-53	0	0	0	0	113.1	M470 L471 G472 N503	M470-S474 WeakPolarHBondContact SD-CB 3.34Å; L471-S474 PolarHBondContact O-N 2.96Å; L471-S474 VanDerWaalsContact O-N 3.14Å; G472-S474 PolarHBondContact O-N 3.2Å; S474-N503 PolarHBondContact O-ND2 2.74Å
475	G	88.3	Confident	90.8	Very high	3 Å²	3	25.3 Å²	25.3	3%	0.031	14%	0.139	C	C	.	.			trans	110.3	145.6	-170.5	0	0	0	0	0	111.5	G472 N473 D502 N503	G472-G475 PolarHBondContact O-N 2.99Å; N473-G475 VanDerWaalsContact C-N 3.32Å; G475-D502 VanDerWaalsContact CA-OD1 3.3Å; G475-D502 WeakPolarHBondContact CA-OD1 3.45Å; G475-N503 WeakPolarHBondContact CA-ND2 2.94Å
476	R	93.5	Very high	90.8	Very high	61 Å²	61	25.1 Å²	25.1	23%	0.23	14%	0.137	C	C	.	.			trans	-84.4	142.6	173.8	-66.7	174.5	60.8	102.9	-17.2	110.2	E329 N354 S363 T501 D502	E329-R476 IonicContact OE2-NH2 3.2Å; E329-R476 PolarHBondContact OE2-NH2 3.38Å; N354-R476 PolarHBondContact ND2-NH2 2.96Å; S363-R476 WeakPolarHBondContact OG-CA 3.25Å; R476-T501 CarbonylContact O-C 3.54Å; R476-T501 WeakPolarHBondContact O-CA 3.38Å; R476-D502 WeakPolarHBondContact CB-OD2 3.21Å; R476-D502 PolarHBondContact N-OD1 3.37Å; R476-D502 PolarHBondContact O-N 2.76Å
477	F	96.6	Very high	90.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	140.5	176.4	-60.7	-21.2	0	0	0	110.9	V352 N354 S363 I365 L468 M470 I499 G500 T501 L507	V352-F477 HydrophobicContact CG1-CB 3.31Å; V352-F477 HydrophobicContact CG1-CD2 4.5Å; V352-F477 HydrophobicContact CG1-CG 4.4Å; N354-F477 PolarHBondContact ND2-O 2.91Å; S363-F477 PolarHBondContact OG-N 3.14Å; I365-F477 HydrophobicContact CD1-CD2 3.68Å; I365-F477 HydrophobicContact CD1-CE2 4.1Å; I365-F477 HydrophobicContact CG1-CD2 4.11Å; I365-F477 HydrophobicContact CG1-CE2 3.99Å; L468-F477 HydrophobicContact CD2-CE2 3.84Å; L468-F477 HydrophobicContact CD2-CZ 3.58Å; L468-F477 HydrophobicContact CG-CE2 4.29Å; L468-F477 HydrophobicContact CG-CZ 4.22Å; M470-F477 HydrophobicContact CB-CE1 3.95Å; M470-F477 HydrophobicContact CB-CE2 4.27Å; M470-F477 HydrophobicContact CB-CZ 3.5Å; M470-F477 HydrophobicContact CE-CE1 4.41Å; M470-F477 HydrophobicContact CE-CZ 4.34Å; M470-F477 HydrophobicContact CG-CE1 4.37Å; M470-F477 HydrophobicContact CG-CZ 4.35Å; M470-F477 HydrophobicContact SD-CE1 3.74Å; M470-F477 HydrophobicContact SD-CZ 4.1Å; F477-I499 HydrophobicContact CB-CG2 4.01Å; F477-I499 HydrophobicContact CD1-CG2 3.57Å; F477-I499 HydrophobicContact CD2-CG2 3.96Å; F477-I499 HydrophobicContact CE1-CG2 3.95Å; F477-I499 HydrophobicContact CE2-CG2 4.32Å; F477-I499 HydrophobicContact CG-CG2 3.58Å; F477-I499 HydrophobicContact CZ-CG2 4.31Å; F477-G500 WeakPolarHBondContact CA-O 2.85Å; F477-T501 HydrophobicContact CD1-CG2 4.22Å; F477-L507 HydrophobicContact CE1-CD1 4.33Å; F477-L507 HydrophobicContact CE1-CD2 3.85Å; F477-L507 HydrophobicContact CZ-CD2 4.14Å
478	T	95.5	Very high	90.2	Very high	18 Å²	18	25.1 Å²	25.1	11%	0.11	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	-47.9	-176.7	57.3	0	0	0	0	112.1	V331 S332 G500 D502 I536	V331-T478 WeakPolarHBondContact CG1-O 3.44Å; S332-T478 WeakPolarHBondContact CB-O 3.46Å; S332-T478 PolarHBondContact OG-O 3.44Å; T478-G500 PolarHBondContact N-O 3.07Å; T478-G500 PolarHBondContact OG1-O 3.45Å; T478-D502 HydrophobicContact CG2-CB 3.87Å; T478-I536 VanDerWaalsContact CB-O 3.23Å; T478-I536 WeakPolarHBondContact CB-O 3.43Å; T478-I536 PolarHBondContact OG1-O 3.08Å
479	Q	95.1	Very high	89.7	Confident	43 Å²	43	25.4 Å²	25.4	20%	0.201	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	155.8	-175.1	-67.8	-69.2	38.4	0	0	112	S332 I499 G500 I536 T537 L539	S332-Q479 WeakPolarHBondContact OG-CA 3.47Å; S332-Q479 PolarHBondContact OG-OE1 2.79Å; Q479-I499 CarbonylContact O-C 3.51Å; Q479-I499 WeakPolarHBondContact O-CA 3.34Å; Q479-G500 PolarHBondContact O-N 3.16Å; Q479-I536 HydrophobicContact CB-CG2 4.34Å; Q479-I536 HydrophobicContact CG-CG2 4.47Å; Q479-T537 PolarHBondContact NE2-O 3.2Å; Q479-L539 HydrophobicContact CB-CB 3.81Å
480	I	96.1	Very high	89.2	Confident	9 Å²	9	27.2 Å²	27.2	5%	0.046	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	138.8	173.8	-170.4	162.5	0	0	0	110.3	V352 I365 I482 M497 F498 I499	V352-I480 HydrophobicContact CG2-CB 3.58Å; V352-I480 HydrophobicContact CG2-CG2 3.61Å; I365-I480 HydrophobicContact CD1-CD1 4.12Å; I365-I480 HydrophobicContact CG2-CD1 3.86Å; I480-I482 HydrophobicContact CD1-CD1 3.85Å; I480-I482 HydrophobicContact CG1-CD1 3.88Å; I480-M497 HydrophobicContact CD1-SD 4.47Å; I480-F498 CarbonylContact C-O 3.6Å; I480-F498 VanDerWaalsContact CA-O 3.29Å; I480-F498 WeakPolarHBondContact CA-O 3.45Å; I480-I499 HydrophobicContact CD1-CG1 4.31Å; I480-I499 HydrophobicContact CG1-CG1 4.36Å
481	A	95.2	Very high	88.8	Confident	7 Å²	7	32.9 Å²	32.9	6%	0.058	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	145	166.2	0	0	0	0	0	108.8	F498 L539 V541	A481-F498 HydrophobicContact CB-CB 4.45Å; A481-F498 PolarHBondContact N-O 2.71Å; A481-F498 PolarHBondContact O-N 2.95Å; A481-L539 HydrophobicContact CB-CB 4.39Å; A481-L539 HydrophobicContact CB-CD2 4.27Å; A481-L539 HydrophobicContact CB-CG 3.86Å; A481-V541 HydrophobicContact CB-CG2 4.07Å
482	I	94.4	Very high	88.7	Confident	21 Å²	21	38 Å²	38	11%	0.108	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	130.9	-178.5	-50.6	-67.6	0	0	0	108	V337 Y350 I480 P484 D495 V496 M497	V337-I482 HydrophobicContact CG2-CB 3.95Å; V337-I482 HydrophobicContact CG2-CG1 4.2Å; V337-I482 HydrophobicContact CG2-CG2 3.85Å; Y350-I482 HydrophobicContact CD1-CD1 4.14Å; Y350-I482 HydrophobicContact CD2-CD1 3.73Å; Y350-I482 HydrophobicContact CD2-CG1 3.74Å; Y350-I482 HydrophobicContact CE2-CD1 4.21Å; Y350-I482 HydrophobicContact CE2-CG1 4.28Å; Y350-I482 HydrophobicContact CE2-CG2 4.38Å; Y350-I482 HydrophobicContact CG-CD1 3.7Å; Y350-I482 HydrophobicContact CG-CG1 4.14Å; I480-I482 HydrophobicContact CD1-CD1 3.85Å; I480-I482 HydrophobicContact CG1-CD1 3.88Å; I482-P484 HydrophobicContact CG2-CB 4.48Å; I482-P484 WeakPolarHBondContact O-CD 3.27Å; I482-D495 HydrophobicContact CG2-CB 4.12Å; I482-V496 WeakPolarHBondContact CA-O 3.36Å; I482-M497 HydrophobicContact CD1-CB 4.11Å; I482-M497 HydrophobicContact CD1-CG 3.58Å; I482-M497 HydrophobicContact CD1-SD 4.45Å
483	D	92.2	Very high	89.3	Confident	6 Å²	6	41 Å²	41	3%	0.032	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	103.5	160.1	-166.3	20.9	0	0	0	108.1	V486 V496 F498 V541 H543 Y592	D483-V486 HydrophobicContact CB-CG2 4.06Å; D483-V486 VanDerWaalsContact OD2-CG2 3.29Å; D483-V486 WeakPolarHBondContact OD2-CG2 3.33Å; D483-V496 HydrophobicContact CB-CB 4.31Å; D483-V496 PolarHBondContact N-O 3.17Å; D483-V496 PolarHBondContact O-N 3.01Å; D483-F498 HydrophobicContact CB-CE2 4.24Å; D483-V541 HydrophobicContact CB-CG1 4.19Å; D483-V541 HydrophobicContact CB-CG2 4.32Å; D483-H543 IonicContact OD1-CE1 3.82Å; D483-H543 PolarHBondContact OD1-CE1 2.65Å; D483-H543 VanDerWaalsContact OD1-CE1 3.22Å; D483-H543 IonicContact OD1-NE2 2.78Å; D483-H543 PolarHBondContact OD1-NE2 3.42Å; D483-H543 IonicContact OD2-CE1 3.6Å; D483-Y592 WeakPolarHBondContact CB-OH 3.13Å; D483-Y592 WeakPolarHBondContact OD2-CE1 3.46Å; D483-Y592 PolarHBondContact OD2-OH 3Å
484	P	89.7	Confident	89.8	Confident	50 Å²	50	35 Å²	35	33%	0.325	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	147.6	-168.8	33.4	-36.4	0	0	0	112.2	V337 I482 V486	V337-P484 HydrophobicContact CG1-CB 3.57Å; I482-P484 HydrophobicContact CG2-CB 4.48Å; I482-P484 WeakPolarHBondContact O-CD 3.27Å; P484-V486 VanDerWaalsContact C-N 3.3Å; P484-V486 PolarHBondContact O-N 3.31Å
485	H	88.6	Confident	90.4	Very high	36 Å²	36	35.8 Å²	35.8	17%	0.167	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	51.7	41.3	172.8	-52.6	-54.9	0	0	0	115.3	P338 L339 T487 E493 D495	P338-H485 PolarHBondContact O-CE1 3.21Å; P338-H485 PolarHBondContact O-NE2 2.78Å; L339-H485 VanDerWaalsContact C-CE1 3.44Å; L339-H485 PolarHBondContact O-CE1 3.22Å; H485-T487 PolarHBondContact O-N 3.5Å; H485-E493 IonicContact ND1-OE2 2.67Å; H485-D495 PolarHBondContact N-OD1 2.79Å; H485-D495 IonicContact ND1-OD1 2.85Å
486	V	89.7	Confident	90.7	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.012	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	104.6	172.3	178.7	0	0	0	0	108.3	D483 P484 A488 E493 Y494 V496 P591 Y592	D483-V486 HydrophobicContact CB-CG2 4.06Å; D483-V486 VanDerWaalsContact OD2-CG2 3.29Å; D483-V486 WeakPolarHBondContact OD2-CG2 3.33Å; P484-V486 VanDerWaalsContact C-N 3.3Å; P484-V486 PolarHBondContact O-N 3.31Å; V486-A488 PolarHBondContact O-N 3Å; V486-E493 WeakPolarHBondContact O-CA 3.39Å; V486-Y494 PolarHBondContact N-O 3.04Å; V486-Y494 PolarHBondContact O-N 3.21Å; V486-V496 HydrophobicContact CB-CG2 4.02Å; V486-V496 HydrophobicContact CG1-CG2 4.49Å; V486-V496 HydrophobicContact CG2-CG2 3.78Å; V486-P591 HydrophobicContact CG1-CB 4.12Å; V486-P591 HydrophobicContact CG1-CG 4.32Å; V486-Y592 HydrophobicContact CB-CE1 4.25Å; V486-Y592 HydrophobicContact CG1-CD1 3.67Å; V486-Y592 HydrophobicContact CG1-CE1 3.47Å; V486-Y592 VanDerWaalsContact CG1-CE1 3.47Å; V486-Y592 HydrophobicContact CG2-CE1 3.72Å
487	T	89.2	Confident	90.9	Very high	12 Å²	12	32.8 Å²	32.8	7%	0.074	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	114.4	174.4	-47.1	0	0	0	0	108.2	H485 R492 E493 S607 W608 L610	H485-T487 PolarHBondContact O-N 3.5Å; T487-R492 CarbonylContact C-O 3.47Å; T487-E493 HydrophobicContact CG2-CG 4.45Å; T487-E493 PolarHBondContact OG1-OE1 2.72Å; T487-S607 PolarHBondContact N-OG 2.74Å; T487-W608 WeakPolarHBondContact CG2-O 3.45Å; T487-W608 WeakPolarHBondContact O-CB 3.45Å; T487-W608 PolarHBondContact O-N 2.85Å; T487-L610 HydrophobicContact CG2-CD1 4.24Å
488	A	88.2	Confident	90.9	Very high	7 Å²	7	33.1 Å²	33.1	6%	0.058	16%	0.155	C	C	.	.			trans	-84.4	172.4	177.7	0	0	0	0	0	112.5	V486 D490 R491 R492 Y494 P591	V486-A488 PolarHBondContact O-N 3Å; A488-D490 WeakPolarHBondContact CB-OD1 3.46Å; A488-D490 PolarHBondContact O-N 2.84Å; A488-D490 VanDerWaalsContact O-N 3.07Å; A488-R491 WeakPolarHBondContact O-CA 3.22Å; A488-R491 PolarHBondContact O-N 3.38Å; A488-R492 PolarHBondContact N-O 3.11Å; A488-Y494 HydrophobicContact CB-CD2 3.91Å; A488-Y494 HydrophobicContact CB-CE2 3.7Å; A488-P591 HydrophobicContact CB-CB 3.74Å
489	A	84.2	Confident	91	Very high	8 Å²	8	32.2 Å²	32.2	7%	0.066	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-20.3	-179.4	0	0	0	0	0	114.5	R491 A594 W608 H613 I621 Q623	A489-R491 VanDerWaalsContact C-N 3.25Å; A489-A594 HydrophobicContact CB-CB 3.78Å; A489-W608 HydrophobicContact CB-CD2 4.22Å; A489-W608 HydrophobicContact CB-CZ2 4.47Å; A489-H613 PolarHBondContact O-CE1 2.91Å; A489-I621 HydrophobicContact CB-CG2 4.17Å; A489-Q623 VanDerWaalsContact O-CD 3.23Å; A489-Q623 WeakPolarHBondContact O-CG 3.32Å; A489-Q623 PolarHBondContact O-NE2 2.98Å
490	D	81.7	Confident	91.1	Very high	52 Å²	52	30.2 Å²	30.2	28%	0.278	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	6	174.1	70.8	-9.1	0	0	0	113.5	A488 R492 Y494	A488-D490 WeakPolarHBondContact CB-OD1 3.46Å; A488-D490 PolarHBondContact O-N 2.84Å; A488-D490 VanDerWaalsContact O-N 3.07Å; D490-R492 PolarHBondContact O-N 3.33Å; D490-R492 WeakPolarHBondContact OD1-CB 3.4Å; D490-R492 PolarHBondContact OD1-N 2.7Å; D490-R492 WeakPolarHBondContact OD2-CD 3.03Å; D490-R492 IonicContact OD2-NE 3.95Å; D490-Y494 PolarHBondContact OD2-OH 3.26Å; D490-Y494 VanDerWaalsContact OD2-OH 3.08Å
491	R	82.9	Confident	91.1	Very high	123 Å²	123	29.8 Å²	29.8	46%	0.464	14%	0.139	S	C	.	.	S	Bend	trans	66.6	12.6	-176.3	-49.9	177.8	178.9	-169.7	-4.1	114.5	A488 A489 D614	A488-R491 WeakPolarHBondContact O-CA 3.22Å; A488-R491 PolarHBondContact O-N 3.38Å; A489-R491 VanDerWaalsContact C-N 3.25Å; R491-D614 IonicContact NH2-OD1 3.74Å; R491-D614 PolarHBondContact NH2-OD1 3.3Å; R491-D614 VanDerWaalsContact NH2-OD1 3.15Å
492	R	86	Confident	91	Very high	156 Å²	156	32.5 Å²	32.5	59%	0.589	15%	0.152	S	C	*	.			trans	-92.6	147.4	172.3	-60.3	-177.6	-179.7	-176.5	-2.2	109.7	T487 A488 D490 Y494	T487-R492 CarbonylContact C-O 3.47Å; A488-R492 PolarHBondContact N-O 3.11Å; D490-R492 PolarHBondContact O-N 3.33Å; D490-R492 WeakPolarHBondContact OD1-CB 3.4Å; D490-R492 PolarHBondContact OD1-N 2.7Å; D490-R492 WeakPolarHBondContact OD2-CD 3.03Å; D490-R492 IonicContact OD2-NE 3.95Å; R492-Y494 HydrophobicContact CB-CE2 3.67Å; R492-Y494 WeakPolarHBondContact CD-OH 3.42Å
493	E	88	Confident	90.9	Very high	82 Å²	82	32.8 Å²	32.8	38%	0.383	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	140.2	176.5	-68.5	178.8	172.9	0	0	110.3	H485 V486 T487	H485-E493 IonicContact ND1-OE2 2.67Å; V486-E493 WeakPolarHBondContact O-CA 3.39Å; T487-E493 HydrophobicContact CG2-CG 4.45Å; T487-E493 PolarHBondContact OG1-OE1 2.72Å
494	Y	91	Very high	91	Very high	27 Å²	27	32.5 Å²	32.5	11%	0.106	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	138.8	179.2	-58.9	-88	0	0	0	109.7	V486 A488 D490 R492 I510 I512 P591	V486-Y494 PolarHBondContact N-O 3.04Å; V486-Y494 PolarHBondContact O-N 3.21Å; A488-Y494 HydrophobicContact CB-CD2 3.91Å; A488-Y494 HydrophobicContact CB-CE2 3.7Å; D490-Y494 PolarHBondContact OD2-OH 3.26Å; D490-Y494 VanDerWaalsContact OD2-OH 3.08Å; R492-Y494 HydrophobicContact CB-CE2 3.67Å; R492-Y494 WeakPolarHBondContact CD-OH 3.42Å; Y494-I510 HydrophobicContact CD1-CD1 4.33Å; Y494-I512 HydrophobicContact CE1-CD1 4.49Å; Y494-I512 HydrophobicContact CE1-CG1 4.27Å; Y494-P591 HydrophobicContact CD2-CB 4.06Å
495	D	92.3	Very high	91.2	Very high	28 Å²	28	32.4 Å²	32.4	15%	0.15	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	114.1	163.5	-68.1	-11.9	0	0	0	108	Y350 I482 H485	Y350-D495 PolarHBondContact OH-OD2 3.16Å; I482-D495 HydrophobicContact CG2-CB 4.12Å; H485-D495 PolarHBondContact N-OD1 2.79Å; H485-D495 IonicContact ND1-OD1 2.85Å
496	V	95	Very high	91.6	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	116.6	178.8	-174.9	0	0	0	0	108.8	I482 D483 V486 F498 K508 I510 P591 Y592	I482-V496 WeakPolarHBondContact CA-O 3.36Å; D483-V496 HydrophobicContact CB-CB 4.31Å; D483-V496 PolarHBondContact N-O 3.17Å; D483-V496 PolarHBondContact O-N 3.01Å; V486-V496 HydrophobicContact CB-CG2 4.02Å; V486-V496 HydrophobicContact CG1-CG2 4.49Å; V486-V496 HydrophobicContact CG2-CG2 3.78Å; V496-F498 HydrophobicContact CB-CE2 4.4Å; V496-F498 HydrophobicContact CG1-CE2 3.84Å; V496-F498 HydrophobicContact CG1-CZ 3.85Å; V496-K508 HydrophobicContact CG1-CD 4.49Å; V496-K508 HydrophobicContact CG1-CG 3.96Å; V496-I510 HydrophobicContact CB-CG2 4.38Å; V496-I510 HydrophobicContact CG1-CG2 4.39Å; V496-I510 HydrophobicContact CG2-CG2 3.93Å; V496-P591 HydrophobicContact CG2-CG 3.62Å; V496-Y592 HydrophobicContact CG1-CE2 4.18Å; V496-Y592 HydrophobicContact CG2-CE2 4.18Å
497	M	96.8	Very high	91.9	Very high	2 Å²	2	31 Å²	31	1%	0.01	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	123.4	180	-57.4	-174	-80.2	0	0	110.5	Y350 I365 L467 I480 I482 I499 K508 V509 N511	Y350-M497 HydrophobicContact CD1-SD 3.81Å; Y350-M497 HydrophobicContact CE1-SD 3.89Å; I365-M497 HydrophobicContact CG2-SD 4.06Å; L467-M497 HydrophobicContact CD1-SD 4.23Å; I480-M497 HydrophobicContact CD1-SD 4.47Å; I482-M497 HydrophobicContact CD1-CB 4.11Å; I482-M497 HydrophobicContact CD1-CG 3.58Å; I482-M497 HydrophobicContact CD1-SD 4.45Å; M497-I499 HydrophobicContact CB-CG1 4.47Å; M497-K508 CarbonylContact O-C 3.59Å; M497-K508 WeakPolarHBondContact O-CA 3.32Å; M497-V509 HydrophobicContact CB-CB 4.45Å; M497-V509 WeakPolarHBondContact CB-O 2.95Å; M497-V509 HydrophobicContact CE-CB 4.27Å; M497-V509 HydrophobicContact CE-CG1 3.93Å; M497-V509 PolarHBondContact N-O 2.83Å; M497-V509 PolarHBondContact O-N 2.7Å; M497-N511 HydrophobicContact CE-CB 4.43Å; M497-N511 WeakPolarHBondContact CE-OD1 3.39Å
498	F	97.5	Very high	92.3	Very high	6 Å²	6	30.6 Å²	30.6	3%	0.026	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	124.8	166.5	-59.7	-86.5	0	0	0	108.6	I480 A481 D483 V496 V506 L507 K508 L539 V541 L560 L573	I480-F498 CarbonylContact C-O 3.6Å; I480-F498 VanDerWaalsContact CA-O 3.29Å; I480-F498 WeakPolarHBondContact CA-O 3.45Å; A481-F498 HydrophobicContact CB-CB 4.45Å; A481-F498 PolarHBondContact N-O 2.71Å; A481-F498 PolarHBondContact O-N 2.95Å; D483-F498 HydrophobicContact CB-CE2 4.24Å; V496-F498 HydrophobicContact CB-CE2 4.4Å; V496-F498 HydrophobicContact CG1-CE2 3.84Å; V496-F498 HydrophobicContact CG1-CZ 3.85Å; F498-V506 HydrophobicContact CB-CG1 4.39Å; F498-V506 HydrophobicContact CD1-CG1 4.37Å; F498-L507 CarbonylContact C-O 3.56Å; F498-L507 VanDerWaalsContact CA-O 3.3Å; F498-L507 WeakPolarHBondContact CA-O 3.3Å; F498-K508 HydrophobicContact CD1-CB 4.34Å; F498-K508 HydrophobicContact CD1-CG 4.26Å; F498-K508 HydrophobicContact CE1-CB 4.32Å; F498-K508 HydrophobicContact CE1-CD 3.92Å; F498-K508 HydrophobicContact CE1-CG 3.86Å; F498-K508 HydrophobicContact CZ-CD 4.44Å; F498-K508 HydrophobicContact CZ-CG 4.45Å; F498-L539 HydrophobicContact CB-CD2 3.94Å; F498-L539 HydrophobicContact CB-CG 4.49Å; F498-L539 WeakPolarHBondContact O-CD2 3.3Å; F498-V541 HydrophobicContact CD2-CG2 3.74Å; F498-V541 HydrophobicContact CE2-CG2 3.86Å; F498-L560 HydrophobicContact CB-CD1 3.88Å; F498-L560 HydrophobicContact CB-CD2 4.29Å; F498-L560 HydrophobicContact CD1-CD1 4.09Å; F498-L560 HydrophobicContact CD1-CD2 3.68Å; F498-L560 HydrophobicContact CD1-CG 4.49Å; F498-L560 HydrophobicContact CD2-CD1 4Å; F498-L560 HydrophobicContact CE1-CD2 4.27Å; F498-L560 HydrophobicContact CG-CD1 3.72Å; F498-L560 HydrophobicContact CG-CD2 4.1Å; F498-L573 HydrophobicContact CE1-CD2 4.25Å; F498-L573 HydrophobicContact CE2-CD2 3.82Å; F498-L573 HydrophobicContact CZ-CB 4.39Å; F498-L573 HydrophobicContact CZ-CD2 3.52Å; F498-L573 HydrophobicContact CZ-CG 4.49Å
499	I	97.7	Very high	92.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	120.3	-174.4	-54.3	161	0	0	0	108.9	I365 L468 F477 Q479 I480 M497 V506 L507 V509	I365-I499 HydrophobicContact CD1-CD1 4.14Å; I365-I499 HydrophobicContact CD1-CG1 4.31Å; I365-I499 HydrophobicContact CD1-CG2 4.26Å; I365-I499 HydrophobicContact CG1-CD1 3.67Å; I365-I499 HydrophobicContact CG1-CG1 4.33Å; L468-I499 HydrophobicContact CD2-CD1 3.41Å; L468-I499 VanDerWaalsContact CD2-CD1 3.41Å; F477-I499 HydrophobicContact CB-CG2 4.01Å; F477-I499 HydrophobicContact CD1-CG2 3.57Å; F477-I499 HydrophobicContact CD2-CG2 3.96Å; F477-I499 HydrophobicContact CE1-CG2 3.95Å; F477-I499 HydrophobicContact CE2-CG2 4.32Å; F477-I499 HydrophobicContact CG-CG2 3.58Å; F477-I499 HydrophobicContact CZ-CG2 4.31Å; Q479-I499 CarbonylContact O-C 3.51Å; Q479-I499 WeakPolarHBondContact O-CA 3.34Å; I480-I499 HydrophobicContact CD1-CG1 4.31Å; I480-I499 HydrophobicContact CG1-CG1 4.36Å; M497-I499 HydrophobicContact CB-CG1 4.47Å; I499-V506 CarbonylContact O-C 3.57Å; I499-V506 WeakPolarHBondContact O-CA 3.27Å; I499-L507 HydrophobicContact CB-CB 4.24Å; I499-L507 PolarHBondContact N-O 2.68Å; I499-L507 PolarHBondContact O-N 2.87Å; I499-V509 HydrophobicContact CD1-CG2 4.14Å
500	G	96.4	Very high	93.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	151.3	176.1	0	0	0	0	0	112.4	F477 T478 Q479 K505	F477-G500 WeakPolarHBondContact CA-O 2.85Å; T478-G500 PolarHBondContact N-O 3.07Å; T478-G500 PolarHBondContact OG1-O 3.45Å; Q479-G500 PolarHBondContact O-N 3.16Å; G500-K505 CarbonylContact C-O 3.6Å; G500-K505 WeakPolarHBondContact CA-O 3.36Å
501	T	95.9	Very high	93.6	Very high	1 Å²	1	29 Å²	29	1%	0.006	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	164.1	177	66.4	0	0	0	0	113.6	R476 F477 N503 G504 K505 L507 I536	R476-T501 CarbonylContact O-C 3.54Å; R476-T501 WeakPolarHBondContact O-CA 3.38Å; F477-T501 HydrophobicContact CD1-CG2 4.22Å; T501-N503 VanDerWaalsContact CB-OD1 3.31Å; T501-N503 WeakPolarHBondContact CB-OD1 3.28Å; T501-N503 PolarHBondContact O-N 2.93Å; T501-N503 PolarHBondContact OG1-OD1 3.22Å; T501-G504 PolarHBondContact O-N 2.98Å; T501-K505 HydrophobicContact CG2-CB 4.32Å; T501-K505 PolarHBondContact N-O 2.68Å; T501-K505 WeakPolarHBondContact OG1-CA 3.47Å; T501-K505 WeakPolarHBondContact OG1-CB 3.34Å; T501-K505 PolarHBondContact OG1-N 3.13Å; T501-K505 PolarHBondContact OG1-O 3.22Å; T501-K505 VanDerWaalsContact OG1-O 3.11Å; T501-L507 HydrophobicContact CG2-CD1 3.54Å; T501-I536 PolarHBondContact O-N 2.84Å
502	D	93.5	Very high	93.8	Very high	63 Å²	63	25.5 Å²	25.5	34%	0.337	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-11.6	173.9	65.1	-9.6	0	0	0	114.6	G475 R476 T478 S535	G475-D502 VanDerWaalsContact CA-OD1 3.3Å; G475-D502 WeakPolarHBondContact CA-OD1 3.45Å; R476-D502 WeakPolarHBondContact CB-OD2 3.21Å; R476-D502 PolarHBondContact N-OD1 3.37Å; R476-D502 PolarHBondContact O-N 2.76Å; T478-D502 HydrophobicContact CG2-CB 3.87Å; D502-S535 VanDerWaalsContact O-CA 3.3Å; D502-S535 WeakPolarHBondContact O-CA 3.21Å
503	N	93.2	Very high	93.6	Very high	28 Å²	28	22.9 Å²	22.9	15%	0.15	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	23.8	177.2	68	1	0	0	0	113.4	S474 G475 T501 K505 A532	S474-N503 PolarHBondContact O-ND2 2.74Å; G475-N503 WeakPolarHBondContact CA-ND2 2.94Å; T501-N503 VanDerWaalsContact CB-OD1 3.31Å; T501-N503 WeakPolarHBondContact CB-OD1 3.28Å; T501-N503 PolarHBondContact O-N 2.93Å; T501-N503 PolarHBondContact OG1-OD1 3.22Å; N503-K505 WeakPolarHBondContact OD1-CG 3.35Å; N503-A532 WeakPolarHBondContact CA-O 3.43Å; N503-A532 WeakPolarHBondContact CB-O 3.49Å; N503-A532 WeakPolarHBondContact O-CA 3.15Å
504	G	93.3	Very high	93.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	80.4	19.1	167.7	0	0	0	0	0	115.3	T501 V529 F530 S534	T501-G504 PolarHBondContact O-N 2.98Å; G504-V529 WeakPolarHBondContact O-CA 3.31Å; G504-V529 PolarHBondContact O-N 2.96Å; G504-F530 PolarHBondContact O-N 2.94Å; G504-S534 WeakPolarHBondContact CA-O 3.49Å; G504-S534 PolarHBondContact N-O 2.54Å
505	K	94.9	Very high	92.5	Very high	48 Å²	48	27.5 Å²	27.5	21%	0.209	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	145.5	-178.3	-53.7	-176.6	-174.3	174.7	0	112.1	G500 T501 N503 L526 V527 N528 I536	G500-K505 CarbonylContact C-O 3.6Å; G500-K505 WeakPolarHBondContact CA-O 3.36Å; T501-K505 HydrophobicContact CG2-CB 4.32Å; T501-K505 PolarHBondContact N-O 2.68Å; T501-K505 WeakPolarHBondContact OG1-CA 3.47Å; T501-K505 WeakPolarHBondContact OG1-CB 3.34Å; T501-K505 PolarHBondContact OG1-N 3.13Å; T501-K505 PolarHBondContact OG1-O 3.22Å; T501-K505 VanDerWaalsContact OG1-O 3.11Å; N503-K505 WeakPolarHBondContact OD1-CG 3.35Å; K505-L526 HydrophobicContact CB-CD1 4.01Å; K505-L526 HydrophobicContact CD-CD1 4.17Å; K505-L526 HydrophobicContact CD-CD2 4.39Å; K505-L526 HydrophobicContact CD-CG 4.48Å; K505-V527 CarbonylContact C-O 3.6Å; K505-V527 VanDerWaalsContact CA-O 3.24Å; K505-V527 WeakPolarHBondContact CA-O 3.5Å; K505-N528 WeakPolarHBondContact CD-OD1 3.36Å; K505-N528 WeakPolarHBondContact CE-OD1 3.31Å; K505-N528 WeakPolarHBondContact CG-OD1 3.05Å; K505-I536 WeakPolarHBondContact O-CD1 3.4Å
506	V	96.1	Very high	91.4	Very high	6 Å²	6	38.3 Å²	38.3	4%	0.036	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	128.3	170.1	174.1	0	0	0	0	109.2	F498 I499 L526 V527 V529 I536 L539 L560 V562	F498-V506 HydrophobicContact CB-CG1 4.39Å; F498-V506 HydrophobicContact CD1-CG1 4.37Å; I499-V506 CarbonylContact O-C 3.57Å; I499-V506 WeakPolarHBondContact O-CA 3.27Å; V506-L526 WeakPolarHBondContact O-CA 3.46Å; V506-V527 PolarHBondContact N-O 3.16Å; V506-V527 PolarHBondContact O-N 2.82Å; V506-V529 HydrophobicContact CB-CG2 3.96Å; V506-V529 HydrophobicContact CG2-CG2 3.57Å; V506-I536 HydrophobicContact CG2-CD1 3.52Å; V506-L539 HydrophobicContact CG2-CD1 4.32Å; V506-L560 HydrophobicContact CG1-CD2 3.86Å; V506-V562 HydrophobicContact CG2-CG1 3.84Å; V506-V562 HydrophobicContact CG2-CG2 4.14Å
507	L	96.7	Very high	90.1	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	139.6	170.4	-62.9	71.2	0	0	0	108.7	L468 M470 F477 F498 I499 T501 V509 L523 E525 L526	L468-L507 HydrophobicContact CD2-CD2 4.39Å; M470-L507 HydrophobicContact CE-CD2 3.28Å; M470-L507 HydrophobicContact SD-CD2 3.91Å; F477-L507 HydrophobicContact CE1-CD1 4.33Å; F477-L507 HydrophobicContact CE1-CD2 3.85Å; F477-L507 HydrophobicContact CZ-CD2 4.14Å; F498-L507 CarbonylContact C-O 3.56Å; F498-L507 VanDerWaalsContact CA-O 3.3Å; F498-L507 WeakPolarHBondContact CA-O 3.3Å; I499-L507 HydrophobicContact CB-CB 4.24Å; I499-L507 PolarHBondContact N-O 2.68Å; I499-L507 PolarHBondContact O-N 2.87Å; T501-L507 HydrophobicContact CG2-CD1 3.54Å; L507-V509 HydrophobicContact CB-CG2 4.18Å; L507-L523 HydrophobicContact CB-CD1 3.91Å; L507-L523 HydrophobicContact CD2-CD1 4.2Å; L507-L523 HydrophobicContact CG-CD1 4.19Å; L507-E525 WeakPolarHBondContact CA-O 3.38Å; L507-L526 HydrophobicContact CD1-CD1 3.72Å; L507-L526 HydrophobicContact CG-CD1 3.63Å
508	K	96.2	Very high	89.1	Confident	5 Å²	5	43 Å²	43	2%	0.022	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	118.6	169.7	-176.5	-179.7	176.1	177.3	0	109.2	V496 M497 F498 I524 E525 L573 D590	V496-K508 HydrophobicContact CG1-CD 4.49Å; V496-K508 HydrophobicContact CG1-CG 3.96Å; M497-K508 CarbonylContact O-C 3.59Å; M497-K508 WeakPolarHBondContact O-CA 3.32Å; F498-K508 HydrophobicContact CD1-CB 4.34Å; F498-K508 HydrophobicContact CD1-CG 4.26Å; F498-K508 HydrophobicContact CE1-CB 4.32Å; F498-K508 HydrophobicContact CE1-CD 3.92Å; F498-K508 HydrophobicContact CE1-CG 3.86Å; F498-K508 HydrophobicContact CZ-CD 4.44Å; F498-K508 HydrophobicContact CZ-CG 4.45Å; K508-I524 HydrophobicContact CB-CB 4.45Å; K508-I524 HydrophobicContact CD-CB 4.32Å; K508-I524 HydrophobicContact CD-CG2 4.13Å; K508-I524 HydrophobicContact CG-CB 4.22Å; K508-I524 HydrophobicContact CG-CD1 4.28Å; K508-I524 PolarHBondContact O-N 3.34Å; K508-E525 HydrophobicContact CB-CB 4.09Å; K508-E525 PolarHBondContact N-O 2.68Å; K508-E525 PolarHBondContact O-N 2.66Å; K508-L573 PolarHBondContact NZ-O 3.37Å; K508-D590 IonicContact NZ-OD1 3.91Å; K508-D590 PolarHBondContact NZ-OD1 3.39Å; K508-D590 IonicContact NZ-OD2 2.9Å; K508-D590 PolarHBondContact NZ-OD2 3.14Å
509	V	96.5	Very high	88.5	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	140	-170.6	-174.9	0	0	0	0	110.3	L468 M497 I499 L507 P521 I522 L523	L468-V509 HydrophobicContact CD2-CG2 4.06Å; M497-V509 HydrophobicContact CB-CB 4.45Å; M497-V509 WeakPolarHBondContact CB-O 2.95Å; M497-V509 HydrophobicContact CE-CB 4.27Å; M497-V509 HydrophobicContact CE-CG1 3.93Å; M497-V509 PolarHBondContact N-O 2.83Å; M497-V509 PolarHBondContact O-N 2.7Å; I499-V509 HydrophobicContact CD1-CG2 4.14Å; L507-V509 HydrophobicContact CB-CG2 4.18Å; V509-P521 HydrophobicContact CG1-CB 4.08Å; V509-I522 VanDerWaalsContact CA-O 3.32Å; V509-I522 WeakPolarHBondContact CA-O 3.43Å; V509-L523 HydrophobicContact CG2-CD1 3.77Å
510	I	94.6	Very high	88	Confident	6 Å²	6	49.2 Å²	49.2	3%	0.031	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	151.8	166	59.1	173.2	0	0	0	109.6	Y494 V496 I522 I524 P591	Y494-I510 HydrophobicContact CD1-CD1 4.33Å; V496-I510 HydrophobicContact CB-CG2 4.38Å; V496-I510 HydrophobicContact CG1-CG2 4.39Å; V496-I510 HydrophobicContact CG2-CG2 3.93Å; I510-I522 HydrophobicContact CG1-CB 3.92Å; I510-I522 PolarHBondContact N-O 2.83Å; I510-I522 PolarHBondContact O-N 2.05Å; I510-I524 HydrophobicContact CB-CD1 4.29Å; I510-I524 HydrophobicContact CD1-CD1 4.1Å; I510-I524 HydrophobicContact CG1-CD1 3.89Å; I510-I524 HydrophobicContact CG1-CG1 4.27Å; I510-I524 HydrophobicContact CG2-CD1 3.64Å; I510-P591 HydrophobicContact CG2-CG 4.2Å
511	N	91.4	Very high	87.8	Confident	28 Å²	28	50.8 Å²	50.8	15%	0.15	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	127.2	174.3	-85.1	46.1	0	0	0	110.5	L467 M497 T519	L467-N511 WeakPolarHBondContact CA-ND2 3.17Å; L467-N511 WeakPolarHBondContact CB-ND2 3.39Å; L467-N511 WeakPolarHBondContact CD2-ND2 3.27Å; L467-N511 PolarHBondContact O-ND2 3.04Å; L467-N511 VanDerWaalsContact O-ND2 3.13Å; M497-N511 HydrophobicContact CE-CB 4.43Å; M497-N511 WeakPolarHBondContact CE-OD1 3.39Å; N511-T519 PolarHBondContact ND2-OG1 3.39Å; N511-T519 VanDerWaalsContact ND2-OG1 3.1Å
512	I	86.5	Confident	87.6	Confident	49 Å²	49	51.8 Å²	51.8	25%	0.251	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	129.4	176.2	-53.3	-163.8	0	0	0	109	Y494 I514 T519 K520 I522	Y494-I512 HydrophobicContact CE1-CD1 4.49Å; Y494-I512 HydrophobicContact CE1-CG1 4.27Å; I512-I514 PolarHBondContact O-N 3.39Å; I512-T519 CarbonylContact O-C 3.59Å; I512-T519 WeakPolarHBondContact O-CA 3.39Å; I512-K520 PolarHBondContact N-O 3.25Å; I512-K520 PolarHBondContact O-N 3.06Å; I512-I522 HydrophobicContact CD1-CD1 3.3Å; I512-I522 HydrophobicContact CD1-CG1 4.27Å; I512-I522 HydrophobicContact CG1-CD1 3.85Å; I512-I522 HydrophobicContact CG1-CG1 4.32Å
513	P	81.7	Confident	87.6	Confident	101 Å²	101	51.1 Å²	51.1	66%	0.656	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65	131	173.8	26.3	-32.8	0	0	0	110.6
514	I	80.1	Confident	87.6	Confident	90 Å²	90	51 Å²	51	46%	0.462	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	-58	173.3	-49.2	176.5	0	0	0	109.2	I512 E518 K520	I512-I514 PolarHBondContact O-N 3.39Å; I514-E518 HydrophobicContact CD1-CG 4.35Å; I514-E518 PolarHBondContact N-O 3.38Å; I514-K520 HydrophobicContact CD1-CB 3.73Å; I514-K520 HydrophobicContact CD1-CG 4.49Å; I514-K520 HydrophobicContact CG1-CB 3.75Å
515	N	75.4	Confident	87.5	Confident	116 Å²	116	53.8 Å²	53.8	62%	0.62	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.4	174.7	-176.9	-78.2	-30.8	0	0	0	109.2	G517 E518	N515-G517 PolarHBondContact O-N 3.28Å; N515-E518 PolarHBondContact N-O 2.85Å; N515-E518 PolarHBondContact O-N 2.99Å; N515-E518 VanDerWaalsContact O-N 3.14Å
516	R	69.1	Low	87.4	Confident	255 Å²	255	53 Å²	53	96%	0.962	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	101	178	-72.5	-174.1	-179.8	-179.5	0.3	111.4
517	G	68.6	Low	87.2	Confident	37 Å²	37	54.6 Å²	54.6	38%	0.381	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.3	4.6	175.4	0	0	0	0	0	116	K464 N515	K464-G517 PolarHBondContact N-O 3.33Å; N515-G517 PolarHBondContact O-N 3.28Å
518	E	76.8	Confident	87.1	Confident	62 Å²	62	59.4 Å²	59.4	29%	0.29	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	129.5	176.7	-165.8	176.4	-159.9	0	0	110.7	I514 N515	I514-E518 HydrophobicContact CD1-CG 4.35Å; I514-E518 PolarHBondContact N-O 3.38Å; N515-E518 PolarHBondContact N-O 2.85Å; N515-E518 PolarHBondContact O-N 2.99Å; N515-E518 VanDerWaalsContact O-N 3.14Å
519	T	84.5	Confident	86.9	Confident	31 Å²	31	59.3 Å²	59.3	19%	0.19	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	145.4	-178	61.9	0	0	0	0	110.6	L467 N511 I512	L467-T519 HydrophobicContact CD2-CG2 4.46Å; L467-T519 WeakPolarHBondContact CD2-OG1 3.24Å; N511-T519 PolarHBondContact ND2-OG1 3.39Å; N511-T519 VanDerWaalsContact ND2-OG1 3.1Å; I512-T519 CarbonylContact O-C 3.59Å; I512-T519 WeakPolarHBondContact O-CA 3.39Å
520	K	87.4	Confident	86.6	Confident	106 Å²	106	60 Å²	60	46%	0.461	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	120.5	172.4	-168	-179.4	174.5	-171.2	0	109.9	I512 I514	I512-K520 PolarHBondContact N-O 3.25Å; I512-K520 PolarHBondContact O-N 3.06Å; I514-K520 HydrophobicContact CD1-CB 3.73Å; I514-K520 HydrophobicContact CD1-CG 4.49Å; I514-K520 HydrophobicContact CG1-CB 3.75Å
521	P	91.6	Very high	86.3	Confident	33 Å²	33	62.7 Å²	62.7	21%	0.214	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	141.9	168.5	26.7	-30.8	0	0	0	110.8	L467 L468 V509	L467-P521 VanDerWaalsContact O-CB 3.28Å; L467-P521 WeakPolarHBondContact O-CB 3.47Å; L467-P521 WeakPolarHBondContact O-CG 3.27Å; L468-P521 HydrophobicContact CD1-CB 3.99Å; L468-P521 HydrophobicContact CD1-CG 4.28Å; V509-P521 HydrophobicContact CG1-CB 4.08Å
522	I	92.2	Very high	86	Confident	22 Å²	22	65.2 Å²	65.2	11%	0.113	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	111.9	167	-59.8	-170.1	0	0	0	107.5	V509 I510 I512 I524 Q589	V509-I522 VanDerWaalsContact CA-O 3.32Å; V509-I522 WeakPolarHBondContact CA-O 3.43Å; I510-I522 HydrophobicContact CG1-CB 3.92Å; I510-I522 PolarHBondContact N-O 2.83Å; I510-I522 PolarHBondContact O-N 2.05Å; I512-I522 HydrophobicContact CD1-CD1 3.3Å; I512-I522 HydrophobicContact CD1-CG1 4.27Å; I512-I522 HydrophobicContact CG1-CD1 3.85Å; I512-I522 HydrophobicContact CG1-CG1 4.32Å; I522-I524 HydrophobicContact CG2-CG1 4.45Å; I522-I524 PolarHBondContact O-N 2.93Å; I522-Q589 HydrophobicContact CG2-CB 4.45Å
523	L	93.3	Very high	86	Confident	49 Å²	49	69.9 Å²	69.9	26%	0.257	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	109.7	168	179.7	66.3	0	0	0	108.1	L507 V509 E525 L644	L507-L523 HydrophobicContact CB-CD1 3.91Å; L507-L523 HydrophobicContact CD2-CD1 4.2Å; L507-L523 HydrophobicContact CG-CD1 4.19Å; V509-L523 HydrophobicContact CG2-CD1 3.77Å; L523-E525 WeakPolarHBondContact CD1-O 3.48Å; L523-L644 HydrophobicContact CD2-CB 3.99Å
524	I	93.3	Very high	86.3	Confident	26 Å²	26	65.8 Å²	65.8	13%	0.133	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	-50.5	179.3	-64	167.5	0	0	0	109.3	K508 I510 I522 D590	K508-I524 HydrophobicContact CB-CB 4.45Å; K508-I524 HydrophobicContact CD-CB 4.32Å; K508-I524 HydrophobicContact CD-CG2 4.13Å; K508-I524 HydrophobicContact CG-CB 4.22Å; K508-I524 HydrophobicContact CG-CD1 4.28Å; K508-I524 PolarHBondContact O-N 3.34Å; I510-I524 HydrophobicContact CB-CD1 4.29Å; I510-I524 HydrophobicContact CD1-CD1 4.1Å; I510-I524 HydrophobicContact CG1-CD1 3.89Å; I510-I524 HydrophobicContact CG1-CG1 4.27Å; I510-I524 HydrophobicContact CG2-CD1 3.64Å; I522-I524 HydrophobicContact CG2-CG1 4.45Å; I522-I524 PolarHBondContact O-N 2.93Å; I524-D590 HydrophobicContact CG2-CB 3.85Å
525	E	91.1	Very high	86.9	Confident	59 Å²	59	63.1 Å²	63.1	28%	0.276	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	149.2	-172.5	-164.6	176.1	-173.2	0	0	111.4	L507 K508 L523 V527 H575	L507-E525 WeakPolarHBondContact CA-O 3.38Å; K508-E525 HydrophobicContact CB-CB 4.09Å; K508-E525 PolarHBondContact N-O 2.68Å; K508-E525 PolarHBondContact O-N 2.66Å; L523-E525 WeakPolarHBondContact CD1-O 3.48Å; E525-V527 HydrophobicContact CG-CG2 3.71Å; E525-V527 WeakPolarHBondContact OE1-CG2 3.36Å; E525-H575 IonicContact OE1-CE1 2.77Å; E525-H575 IonicContact OE1-ND1 3.15Å; E525-H575 PolarHBondContact OE1-ND1 2.77Å; E525-H575 IonicContact OE2-CE1 2.85Å; E525-H575 IonicContact OE2-ND1 3.27Å; E525-H575 PolarHBondContact OE2-ND1 2.94Å; E525-H575 VanDerWaalsContact OE2-ND1 3.12Å
526	L	92.4	Very high	87.7	Confident	31 Å²	31	57.7 Å²	57.7	16%	0.162	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	114.7	169.4	176.6	75.9	0	0	0	108.4	K505 V506 L507 L644	K505-L526 HydrophobicContact CB-CD1 4.01Å; K505-L526 HydrophobicContact CD-CD1 4.17Å; K505-L526 HydrophobicContact CD-CD2 4.39Å; K505-L526 HydrophobicContact CD-CG 4.48Å; V506-L526 WeakPolarHBondContact O-CA 3.46Å; L507-L526 HydrophobicContact CD1-CD1 3.72Å; L507-L526 HydrophobicContact CG-CD1 3.63Å; L526-L644 HydrophobicContact CD2-CD1 3.64Å
527	V	92.1	Very high	88.6	Confident	39 Å²	39	47.2 Å²	47.2	24%	0.236	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	131.1	-176.7	-174	0	0	0	0	109.9	K505 V506 E525 V529	K505-V527 CarbonylContact C-O 3.6Å; K505-V527 VanDerWaalsContact CA-O 3.24Å; K505-V527 WeakPolarHBondContact CA-O 3.5Å; V506-V527 PolarHBondContact N-O 3.16Å; V506-V527 PolarHBondContact O-N 2.82Å; E525-V527 HydrophobicContact CG-CG2 3.71Å; E525-V527 WeakPolarHBondContact OE1-CG2 3.36Å; V527-V529 HydrophobicContact CB-CG2 4.36Å; V527-V529 HydrophobicContact CG1-CG2 4.13Å; V527-V529 PolarHBondContact O-N 2.63Å
528	N	93.6	Very high	89.5	Confident	102 Å²	102	45.6 Å²	45.6	55%	0.545	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	102.8	167.4	-60.7	-50.2	0	0	0	108.2	K505	K505-N528 WeakPolarHBondContact CD-OD1 3.36Å; K505-N528 WeakPolarHBondContact CE-OD1 3.31Å; K505-N528 WeakPolarHBondContact CG-OD1 3.05Å
529	V	92.1	Very high	90	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.024	25%	0.251	C	S	.	.			trans	-88.2	-43.1	-176.2	-175.3	0	0	0	0	110.9	G504 V506 V527 V562 R569 L571	G504-V529 WeakPolarHBondContact O-CA 3.31Å; G504-V529 PolarHBondContact O-N 2.96Å; V506-V529 HydrophobicContact CB-CG2 3.96Å; V506-V529 HydrophobicContact CG2-CG2 3.57Å; V527-V529 HydrophobicContact CB-CG2 4.36Å; V527-V529 HydrophobicContact CG1-CG2 4.13Å; V527-V529 PolarHBondContact O-N 2.63Å; V529-V562 HydrophobicContact CB-CG1 4.41Å; V529-V562 HydrophobicContact CG1-CB 4.03Å; V529-V562 HydrophobicContact CG1-CG1 3.93Å; V529-V562 HydrophobicContact CG1-CG2 4.38Å; V529-R569 HydrophobicContact CG1-CB 4.21Å; V529-R569 PolarHBondContact O-NH1 2.63Å; V529-L571 HydrophobicContact CB-CD1 4.44Å; V529-L571 HydrophobicContact CG1-CD1 4.04Å; V529-L571 HydrophobicContact CG2-CD1 3.55Å
530	F	90.4	Very high	90.2	Very high	14 Å²	14	44.7 Å²	44.7	6%	0.061	26%	0.255	C	S	.	.	S	Bend	trans	-122.6	171.4	178.6	-56.2	-65.7	0	0	0	111.4	G504 I536 V562 S564 E567 R569	G504-F530 PolarHBondContact O-N 2.94Å; F530-I536 HydrophobicContact CD2-CG1 3.96Å; F530-I536 HydrophobicContact CE2-CG1 4.11Å; F530-V562 HydrophobicContact CE2-CB 4.44Å; F530-V562 HydrophobicContact CE2-CG1 3.75Å; F530-V562 HydrophobicContact CZ-CG1 4.34Å; F530-S564 VanDerWaalsContact CE2-CB 3.5Å; F530-E567 HydrophobicContact CD1-CB 4.26Å; F530-E567 HydrophobicContact CE1-CB 3.64Å; F530-E567 HydrophobicContact CZ-CB 4.47Å; F530-R569 HydrophobicContact CE1-CB 4.48Å; F530-R569 HydrophobicContact CE1-CG 3.7Å; F530-R569 HydrophobicContact CZ-CG 4.2Å
531	A	88.4	Confident	90.2	Very high	63 Å²	63	41 Å²	41	52%	0.521	24%	0.241	S	C	.	.			trans	-60.4	153.5	171.5	0	0	0	0	0	111.2	N533 S534	A531-N533 WeakPolarHBondContact CB-OD1 3.49Å; A531-N533 PolarHBondContact O-N 3.12Å; A531-S534 WeakPolarHBondContact O-CB 3.28Å; A531-S534 PolarHBondContact O-N 2.81Å
532	A	85.6	Confident	89.7	Confident	80 Å²	80	40 Å²	40	66%	0.661	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-15	-171.5	0	0	0	0	0	115.4	N503	N503-A532 WeakPolarHBondContact CA-O 3.43Å; N503-A532 WeakPolarHBondContact CB-O 3.49Å; N503-A532 WeakPolarHBondContact O-CA 3.15Å
533	N	86.2	Confident	89.1	Confident	147 Å²	147	43.3 Å²	43.3	79%	0.786	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.2	2.8	175.8	63.7	-20.7	0	0	0	113.4	A531	A531-N533 WeakPolarHBondContact CB-OD1 3.49Å; A531-N533 PolarHBondContact O-N 3.12Å
534	S	88.9	Confident	88.1	Confident	16 Å²	16	42 Å²	42	11%	0.112	24%	0.241	C	C	.	.			trans	-108.2	108	-176.6	-168.5	0	0	0	0	110.4	G504 A531 S564	G504-S534 WeakPolarHBondContact CA-O 3.49Å; G504-S534 PolarHBondContact N-O 2.54Å; A531-S534 WeakPolarHBondContact O-CB 3.28Å; A531-S534 PolarHBondContact O-N 2.81Å; S534-S564 WeakPolarHBondContact OG-CB 3.23Å
535	S	91.2	Very high	86.5	Confident	34 Å²	34	45.4 Å²	45.4	24%	0.238	26%	0.256	C	S	.	.			trans	-75.1	139.1	179	177.4	0	0	0	0	111.4	D502 T537 S564	D502-S535 VanDerWaalsContact O-CA 3.3Å; D502-S535 WeakPolarHBondContact O-CA 3.21Å; S535-T537 PolarHBondContact O-N 2.62Å; S535-S564 WeakPolarHBondContact O-CA 3.3Å
536	I	92.1	Very high	84.7	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	118.2	171.2	-67.6	169.4	0	0	0	108.9	T478 Q479 T501 K505 V506 F530 V562 M563	T478-I536 VanDerWaalsContact CB-O 3.23Å; T478-I536 WeakPolarHBondContact CB-O 3.43Å; T478-I536 PolarHBondContact OG1-O 3.08Å; Q479-I536 HydrophobicContact CB-CG2 4.34Å; Q479-I536 HydrophobicContact CG-CG2 4.47Å; T501-I536 PolarHBondContact O-N 2.84Å; K505-I536 WeakPolarHBondContact O-CD1 3.4Å; V506-I536 HydrophobicContact CG2-CD1 3.52Å; F530-I536 HydrophobicContact CD2-CG1 3.96Å; F530-I536 HydrophobicContact CE2-CG1 4.11Å; I536-V562 HydrophobicContact CD1-CG1 3.91Å; I536-V562 HydrophobicContact CG1-CG1 4.03Å; I536-V562 HydrophobicContact CG2-CG1 4.13Å; I536-M563 CarbonylContact C-O 3.5Å; I536-M563 VanDerWaalsContact CA-O 3.27Å; I536-M563 WeakPolarHBondContact CA-O 3.36Å
537	T	87.9	Confident	82.5	Confident	36 Å²	36	47.5 Å²	47.5	22%	0.221	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	-14	-176.5	54	0	0	0	0	113.2	V87 Q479 S535 M563 S564 N565	V87-T537 PolarHBondContact O-OG1 3.47Å; Q479-T537 PolarHBondContact NE2-O 3.2Å; S535-T537 PolarHBondContact O-N 2.62Å; T537-M563 PolarHBondContact N-O 2.9Å; T537-M563 PolarHBondContact OG1-O 3.49Å; T537-S564 PolarHBondContact OG1-O 3.03Å; T537-S564 VanDerWaalsContact OG1-O 3.06Å; T537-N565 WeakPolarHBondContact CG2-OD1 3.15Å
538	G	87.7	Confident	80.1	Confident	3 Å²	3	55.4 Å²	55.4	3%	0.031	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	142.5	177.2	0	0	0	0	0	110.9	M563	G538-M563 PolarHBondContact N-O 3.43Å; G538-M563 PolarHBondContact O-N 2.89Å
539	L	89	Confident	77.8	Confident	5 Å²	5	54.6 Å²	54.6	3%	0.026	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	123.3	-177.5	-168.3	63.9	0	0	0	109	Q479 A481 F498 V506 L560 V561 V562	Q479-L539 HydrophobicContact CB-CB 3.81Å; A481-L539 HydrophobicContact CB-CB 4.39Å; A481-L539 HydrophobicContact CB-CD2 4.27Å; A481-L539 HydrophobicContact CB-CG 3.86Å; F498-L539 HydrophobicContact CB-CD2 3.94Å; F498-L539 HydrophobicContact CB-CG 4.49Å; F498-L539 WeakPolarHBondContact O-CD2 3.3Å; V506-L539 HydrophobicContact CG2-CD1 4.32Å; L539-L560 HydrophobicContact CD1-CD1 3.78Å; L539-L560 HydrophobicContact CD1-CD2 3.98Å; L539-L560 HydrophobicContact CD1-CG 3.89Å; L539-L560 HydrophobicContact CG-CD1 4.18Å; L539-V561 WeakPolarHBondContact CA-O 3.39Å; L539-V562 HydrophobicContact CD1-CB 4.27Å; L539-V562 HydrophobicContact CD1-CG1 4.06Å; L539-V562 HydrophobicContact CD1-CG2 3.83Å
540	Y	86.8	Confident	75.5	Confident	68 Å²	68	60.7 Å²	60.7	27%	0.267	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	142.5	-176.4	-56.1	-85.7	0	0	0	111.1	L89 V561 M563	L89-Y540 HydrophobicContact CB-CE2 3.83Å; L89-Y540 HydrophobicContact CD2-CD2 3.94Å; L89-Y540 HydrophobicContact CD2-CE2 3.85Å; L89-Y540 HydrophobicContact CG-CE2 4.44Å; Y540-V561 PolarHBondContact N-O 3.19Å; Y540-V561 PolarHBondContact O-N 3Å; Y540-M563 HydrophobicContact CD2-SD 4.34Å; Y540-M563 HydrophobicContact CE2-SD 4.01Å
541	V	87.9	Confident	72.9	Confident	29 Å²	29	68 Å²	68	18%	0.176	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	120	170.1	177.4	0	0	0	0	108	A481 D483 F498 L560 L573	A481-V541 HydrophobicContact CB-CG2 4.07Å; D483-V541 HydrophobicContact CB-CG1 4.19Å; D483-V541 HydrophobicContact CB-CG2 4.32Å; F498-V541 HydrophobicContact CD2-CG2 3.74Å; F498-V541 HydrophobicContact CE2-CG2 3.86Å; V541-L560 HydrophobicContact CG2-CD1 3.95Å; V541-L573 HydrophobicContact CG1-CD1 4.17Å; V541-L573 HydrophobicContact CG1-CD2 4.1Å; V541-L573 HydrophobicContact CG2-CD2 4.3Å
542	Q	82.1	Confident	70.5	Confident	13 Å²	13	74.5 Å²	74.5	6%	0.061	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	116	177.9	-177.5	65.3	54.8	0	0	109.9	E97 A117 F544 A558 K559 V561	E97-Q542 PolarHBondContact O-NE2 2.84Å; A117-Q542 HydrophobicContact CB-CG 4.14Å; Q542-F544 HydrophobicContact CB-CE2 4.01Å; Q542-F544 HydrophobicContact CB-CZ 4.12Å; Q542-F544 HydrophobicContact CG-CD1 4.5Å; Q542-F544 HydrophobicContact CG-CD2 4.32Å; Q542-F544 HydrophobicContact CG-CE1 3.94Å; Q542-F544 HydrophobicContact CG-CE2 3.69Å; Q542-F544 HydrophobicContact CG-CZ 3.48Å; Q542-F544 VanDerWaalsContact CG-CZ 3.48Å; Q542-F544 WeakPolarHBondContact O-CD2 3.49Å; Q542-F544 WeakPolarHBondContact O-CE2 3.29Å; Q542-A558 CarbonylContact O-C 3.46Å; Q542-A558 WeakPolarHBondContact O-CA 3.13Å; Q542-A558 WeakPolarHBondContact O-CB 2.91Å; Q542-K559 PolarHBondContact N-O 2.8Å; Q542-K559 PolarHBondContact O-N 3.08Å; Q542-V561 HydrophobicContact CB-CG2 4.17Å
543	H	79.9	Confident	68.3	Low	91 Å²	91	75.1 Å²	75.1	42%	0.421	42%	0.416	S	S	.	.			trans	-85.9	134.6	170.1	-71.8	-83.7	0	0	0	109.9	D483 A558	D483-H543 IonicContact OD1-CE1 3.82Å; D483-H543 PolarHBondContact OD1-CE1 2.65Å; D483-H543 VanDerWaalsContact OD1-CE1 3.22Å; D483-H543 IonicContact OD1-NE2 2.78Å; D483-H543 PolarHBondContact OD1-NE2 3.42Å; D483-H543 IonicContact OD2-CE1 3.6Å; H543-A558 HydrophobicContact CB-CB 4.44Å; H543-A558 VanDerWaalsContact ND1-CB 3.34Å; H543-A558 WeakPolarHBondContact ND1-CB 3.33Å
544	F	71.4	Confident	66.2	Low	22 Å²	22	76 Å²	76	10%	0.096	42%	0.415	C	S	.	.			trans	-111.6	123.2	179.5	-64.5	-88.5	0	0	0	109.8	A117 E118 Q542 T556 S557 K559	A117-F544 VanDerWaalsContact C-CE1 3.43Å; A117-F544 HydrophobicContact CB-CE1 3.51Å; A117-F544 HydrophobicContact CB-CZ 3.7Å; A117-F544 WeakPolarHBondContact O-CZ 3.45Å; E118-F544 HydrophobicContact CB-CE1 4.29Å; Q542-F544 HydrophobicContact CB-CE2 4.01Å; Q542-F544 HydrophobicContact CB-CZ 4.12Å; Q542-F544 HydrophobicContact CG-CD1 4.5Å; Q542-F544 HydrophobicContact CG-CD2 4.32Å; Q542-F544 HydrophobicContact CG-CE1 3.94Å; Q542-F544 HydrophobicContact CG-CE2 3.69Å; Q542-F544 HydrophobicContact CG-CZ 3.48Å; Q542-F544 VanDerWaalsContact CG-CZ 3.48Å; Q542-F544 WeakPolarHBondContact O-CD2 3.49Å; Q542-F544 WeakPolarHBondContact O-CE2 3.29Å; F544-T556 VanDerWaalsContact O-CB 3.31Å; F544-T556 WeakPolarHBondContact O-CB 3.34Å; F544-T556 PolarHBondContact O-OG1 3.47Å; F544-S557 WeakPolarHBondContact CD2-O 3.21Å; F544-K559 HydrophobicContact CD2-CG 4.28Å; F544-K559 HydrophobicContact CE2-CB 3.8Å; F544-K559 HydrophobicContact CE2-CD 3.89Å; F544-K559 HydrophobicContact CE2-CG 3.64Å; F544-K559 HydrophobicContact CZ-CD 4.27Å; F544-K559 HydrophobicContact CZ-CG 4.47Å
545	E	59.7	Low	64.2	Low	96 Å²	96	79.7 Å²	79.7	45%	0.449	44%	0.438	S	S	.	.			trans	-73.5	139.3	170.8	-70.6	-160.7	143.3	0	0	111	K96 S547	K96-E545 HydrophobicContact CB-CG 4.3Å; K96-E545 VanDerWaalsContact CD-CD 3.49Å; K96-E545 WeakPolarHBondContact CD-OE1 3.29Å; K96-E545 WeakPolarHBondContact CD-OE2 3.17Å; K96-E545 WeakPolarHBondContact CE-OE1 3.46Å; K96-E545 HydrophobicContact CG-CG 4.24Å; K96-E545 WeakPolarHBondContact CG-OE1 3.38Å; K96-E545 IonicContact NZ-OE1 3.38Å; K96-E545 PolarHBondContact NZ-OE1 2.77Å; K96-E545 IonicContact NZ-OE2 2.79Å; E545-S547 PolarHBondContact O-N 2.88Å
546	A	52.6	Low	62.4	Low	69 Å²	69	80.3 Å²	80.3	57%	0.57	44%	0.441	S	S	*	.			trans	-63.2	107.6	168.3	0	0	0	0	0	108.1	E548 T556	A546-E548 PolarHBondContact O-N 2.9Å; A546-E548 VanDerWaalsContact O-N 3.1Å; A546-T556 WeakPolarHBondContact CA-OG1 3.44Å; A546-T556 HydrophobicContact CB-CG2 4.13Å; A546-T556 PolarHBondContact N-OG1 2.8Å
547	S	47.4	Very low	61.3	Low	65 Å²	65	82.4 Å²	82.4	46%	0.455	46%	0.456	S	S	.	.			trans	-52.5	120.7	172.8	-74.3	0	0	0	0	109.2	E545 G549 K550	E545-S547 PolarHBondContact O-N 2.88Å; S547-G549 PolarHBondContact O-N 3.28Å; S547-K550 PolarHBondContact O-N 2.85Å; S547-K550 VanDerWaalsContact O-N 3.09Å
548	E	42.3	Very low	61	Low	206 Å²	206	80.7 Å²	80.7	96%	0.963	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	110.5	174.2	-71	-172.7	153.8	0	0	108.9	A546	A546-E548 PolarHBondContact O-N 2.9Å; A546-E548 VanDerWaalsContact O-N 3.1Å
549	G	44	Very low	60.9	Low	84 Å²	84	83 Å²	83	87%	0.866	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	115.8	-11.6	179.1	0	0	0	0	0	116.6	S547	S547-G549 PolarHBondContact O-N 3.28Å
550	K	43.7	Very low	60.9	Low	133 Å²	133	83 Å²	83	58%	0.578	45%	0.454	S	S	*	.	S	Bend	trans	-79.7	124.2	166.5	-82.4	-178.8	178.6	171.9	0	109.2	E118 S547 Q552	E118-K550 IonicContact OE1-NZ 3.09Å; E118-K550 PolarHBondContact OE1-NZ 3.25Å; E118-K550 IonicContact OE2-NZ 3.91Å; S547-K550 PolarHBondContact O-N 2.85Å; S547-K550 VanDerWaalsContact O-N 3.09Å; K550-Q552 PolarHBondContact O-N 2.87Å
551	M	36.2	Very low	61	Low	168 Å²	168	79.7 Å²	79.7	83%	0.828	44%	0.441	S	S	*	.			trans	-50.1	132	-179.8	-169.3	152.4	64	0	0	111.1	S553	M551-S553 PolarHBondContact O-N 3.26Å
552	Q	38.7	Very low	61.1	Low	198 Å²	198	78.3 Å²	78.3	93%	0.925	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	17.9	-171	-83	171.1	-7.5	0	0	117.2	K550	K550-Q552 PolarHBondContact O-N 2.87Å
553	S	38.4	Very low	61.2	Low	94 Å²	94	77.7 Å²	77.7	66%	0.657	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-8.1	-172.9	54.1	0	0	0	0	115.2	M551	M551-S553 PolarHBondContact O-N 3.26Å
554	Q	41.6	Very low	61.4	Low	165 Å²	165	73.4 Å²	73.4	77%	0.771	41%	0.41	S	S	*	.	S	Bend	trans	-133.3	118.9	168.4	-76.4	-173.7	-19.4	0	0	109.1	T556	Q554-T556 PolarHBondContact O-N 2.94Å
555	P	47	Very low	61.6	Low	93 Å²	93	74 Å²	74	60%	0.604	41%	0.414	S	S	*	.			trans	-57	126.7	166.5	-6	19.6	0	0	0	106.2	S557	P555-S557 PolarHBondContact O-N 3.27Å
556	T	53.3	Low	62.3	Low	47 Å²	47	72.1 Å²	72.1	29%	0.288	41%	0.407	S	S	.	.			trans	-64.6	90.6	171	41.6	0	0	0	0	107.6	F544 A546 Q554	F544-T556 VanDerWaalsContact O-CB 3.31Å; F544-T556 WeakPolarHBondContact O-CB 3.34Å; F544-T556 PolarHBondContact O-OG1 3.47Å; A546-T556 WeakPolarHBondContact CA-OG1 3.44Å; A546-T556 HydrophobicContact CB-CG2 4.13Å; A546-T556 PolarHBondContact N-OG1 2.8Å; Q554-T556 PolarHBondContact O-N 2.94Å
557	S	70.4	Confident	63.4	Low	45 Å²	45	71 Å²	71	32%	0.315	39%	0.39	S	S	.	.			trans	-72.7	128.5	-173.8	59.5	0	0	0	0	109.3	F544 P555 D606	F544-S557 WeakPolarHBondContact CD2-O 3.21Å; P555-S557 PolarHBondContact O-N 3.27Å; S557-D606 WeakPolarHBondContact CA-OD2 3.03Å
558	A	81.3	Confident	64.9	Low	0 Å²	0	68 Å²	68	0%	0	37%	0.369	C	S	.	.			trans	-52.7	147.3	165.3	0	0	0	0	0	111.1	Q542 H543 L573 D606	Q542-A558 CarbonylContact O-C 3.46Å; Q542-A558 WeakPolarHBondContact O-CA 3.13Å; Q542-A558 WeakPolarHBondContact O-CB 2.91Å; H543-A558 HydrophobicContact CB-CB 4.44Å; H543-A558 VanDerWaalsContact ND1-CB 3.34Å; H543-A558 WeakPolarHBondContact ND1-CB 3.33Å; A558-L573 HydrophobicContact CB-CD1 3.38Å; A558-L573 HydrophobicContact CB-CG 4.34Å; A558-L573 WeakPolarHBondContact O-CG 3.35Å; A558-D606 PolarHBondContact N-OD2 2.8Å
559	K	85.6	Confident	67	Low	52 Å²	52	61.3 Å²	61.3	23%	0.226	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	151.6	-178.3	-57.6	-177.1	-177.3	179.2	0	110.6	E118 Q542 F544 L570 L571	E118-K559 PolarHBondContact O-NZ 2.63Å; Q542-K559 PolarHBondContact N-O 2.8Å; Q542-K559 PolarHBondContact O-N 3.08Å; F544-K559 HydrophobicContact CD2-CG 4.28Å; F544-K559 HydrophobicContact CE2-CB 3.8Å; F544-K559 HydrophobicContact CE2-CD 3.89Å; F544-K559 HydrophobicContact CE2-CG 3.64Å; F544-K559 HydrophobicContact CZ-CD 4.27Å; F544-K559 HydrophobicContact CZ-CG 4.47Å; K559-L570 HydrophobicContact CB-CD2 4.14Å; K559-L570 HydrophobicContact CD-CB 4.24Å; K559-L570 HydrophobicContact CD-CD1 4.41Å; K559-L570 HydrophobicContact CD-CD2 4.18Å; K559-L570 HydrophobicContact CD-CG 4.48Å; K559-L571 CarbonylContact C-O 3.57Å; K559-L571 WeakPolarHBondContact CA-O 3.45Å
560	L	89.5	Confident	68.8	Low	4 Å²	4	57.6 Å²	57.6	2%	0.021	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	118.4	169.6	-171.7	70.6	0	0	0	109.6	F498 V506 L539 V541 V562 L570 L571 L573	F498-L560 HydrophobicContact CB-CD1 3.88Å; F498-L560 HydrophobicContact CB-CD2 4.29Å; F498-L560 HydrophobicContact CD1-CD1 4.09Å; F498-L560 HydrophobicContact CD1-CD2 3.68Å; F498-L560 HydrophobicContact CD1-CG 4.49Å; F498-L560 HydrophobicContact CD2-CD1 4Å; F498-L560 HydrophobicContact CE1-CD2 4.27Å; F498-L560 HydrophobicContact CG-CD1 3.72Å; F498-L560 HydrophobicContact CG-CD2 4.1Å; V506-L560 HydrophobicContact CG1-CD2 3.86Å; L539-L560 HydrophobicContact CD1-CD1 3.78Å; L539-L560 HydrophobicContact CD1-CD2 3.98Å; L539-L560 HydrophobicContact CD1-CG 3.89Å; L539-L560 HydrophobicContact CG-CD1 4.18Å; V541-L560 HydrophobicContact CG2-CD1 3.95Å; L560-V562 HydrophobicContact CD2-CG2 3.75Å; L560-V562 HydrophobicContact CG-CG2 3.82Å; L560-L570 WeakPolarHBondContact O-CA 3.44Å; L560-L571 HydrophobicContact CB-CB 4.33Å; L560-L571 PolarHBondContact N-O 3.21Å; L560-L571 PolarHBondContact O-N 2.86Å; L560-L573 HydrophobicContact CB-CD2 3.96Å
561	V	88	Confident	70.9	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	114.9	170.4	-172.3	0	0	0	0	107.6	L100 L539 Y540 Q542 M563 I568 L570	L100-V561 HydrophobicContact CD1-CG1 4.35Å; L100-V561 HydrophobicContact CD2-CG2 4.45Å; L539-V561 WeakPolarHBondContact CA-O 3.39Å; Y540-V561 PolarHBondContact N-O 3.19Å; Y540-V561 PolarHBondContact O-N 3Å; Q542-V561 HydrophobicContact CB-CG2 4.17Å; V561-M563 HydrophobicContact CG1-CG 4.3Å; V561-I568 HydrophobicContact CG1-CG2 3.83Å; V561-L570 HydrophobicContact CB-CD2 4.46Å; V561-L570 HydrophobicContact CG2-CD2 3.73Å
562	V	89.4	Confident	73.4	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	131.6	178.4	-164.3	0	0	0	0	109.2	V506 V529 F530 I536 L539 L560 I568 R569 L571	V506-V562 HydrophobicContact CG2-CG1 3.84Å; V506-V562 HydrophobicContact CG2-CG2 4.14Å; V529-V562 HydrophobicContact CB-CG1 4.41Å; V529-V562 HydrophobicContact CG1-CB 4.03Å; V529-V562 HydrophobicContact CG1-CG1 3.93Å; V529-V562 HydrophobicContact CG1-CG2 4.38Å; F530-V562 HydrophobicContact CE2-CB 4.44Å; F530-V562 HydrophobicContact CE2-CG1 3.75Å; F530-V562 HydrophobicContact CZ-CG1 4.34Å; I536-V562 HydrophobicContact CD1-CG1 3.91Å; I536-V562 HydrophobicContact CG1-CG1 4.03Å; I536-V562 HydrophobicContact CG2-CG1 4.13Å; L539-V562 HydrophobicContact CD1-CB 4.27Å; L539-V562 HydrophobicContact CD1-CG1 4.06Å; L539-V562 HydrophobicContact CD1-CG2 3.83Å; L560-V562 HydrophobicContact CD2-CG2 3.75Å; L560-V562 HydrophobicContact CG-CG2 3.82Å; V562-I568 WeakPolarHBondContact O-CA 3.29Å; V562-R569 PolarHBondContact N-O 3.41Å; V562-R569 PolarHBondContact O-N 2.9Å; V562-L571 HydrophobicContact CG2-CD1 3.68Å; V562-L571 HydrophobicContact CG2-CG 4.12Å
563	M	85.4	Confident	75.8	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	136.1	-174.6	-48.6	178.9	66.5	0	0	109.8	V87 L89 I536 T537 G538 Y540 V561 I568	V87-M563 HydrophobicContact CG1-CE 3.46Å; V87-M563 VanDerWaalsContact CG1-CE 3.46Å; L89-M563 HydrophobicContact CB-CE 3.73Å; L89-M563 HydrophobicContact CB-SD 3.48Å; L89-M563 WeakPolarHBondContact CB-SD 3.38Å; L89-M563 HydrophobicContact CD1-CE 3.55Å; L89-M563 HydrophobicContact CD1-SD 3.51Å; L89-M563 VanDerWaalsContact CD1-SD 3.51Å; L89-M563 HydrophobicContact CG-CE 4.24Å; L89-M563 HydrophobicContact CG-SD 4.01Å; I536-M563 CarbonylContact C-O 3.5Å; I536-M563 VanDerWaalsContact CA-O 3.27Å; I536-M563 WeakPolarHBondContact CA-O 3.36Å; T537-M563 PolarHBondContact N-O 2.9Å; T537-M563 PolarHBondContact OG1-O 3.49Å; G538-M563 PolarHBondContact N-O 3.43Å; G538-M563 PolarHBondContact O-N 2.89Å; Y540-M563 HydrophobicContact CD2-SD 4.34Å; Y540-M563 HydrophobicContact CE2-SD 4.01Å; V561-M563 HydrophobicContact CG1-CG 4.3Å; M563-I568 HydrophobicContact CE-CD1 3.95Å; M563-I568 HydrophobicContact CE-CG1 4.18Å; M563-I568 HydrophobicContact CG-CG1 4.48Å; M563-I568 HydrophobicContact CG-CG2 4.18Å
564	S	83.4	Confident	78.3	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	-171.4	164.7	60.8	0	0	0	0	109.7	V87 F530 S534 S535 T537 N566 E567	V87-S564 WeakPolarHBondContact CB-O 3.35Å; F530-S564 VanDerWaalsContact CE2-CB 3.5Å; S534-S564 WeakPolarHBondContact OG-CB 3.23Å; S535-S564 WeakPolarHBondContact O-CA 3.3Å; T537-S564 PolarHBondContact OG1-O 3.03Å; T537-S564 VanDerWaalsContact OG1-O 3.06Å; S564-N566 PolarHBondContact OG-N 3.4Å; S564-N566 VanDerWaalsContact OG-N 3.08Å; S564-E567 PolarHBondContact N-O 2.84Å; S564-E567 PolarHBondContact OG-N 3.43Å; S564-E567 VanDerWaalsContact OG-N 3.07Å; S564-E567 PolarHBondContact OG-O 3.27Å
565	N	75.7	Confident	80.6	Confident	35 Å²	35	30.6 Å²	30.6	19%	0.187	16%	0.164	C	C	.	.	S	Bend	trans	-53.3	-57.9	156.5	-73.9	-28.2	0	0	0	110.3	N85 R86 V87 T537	N85-N565 CarbonylContact C-O 3.57Å; N85-N565 CarbonylContact O-C 3.58Å; R86-N565 VanDerWaalsContact C-C 3.5Å; R86-N565 CarbonylContact C-O 3.56Å; R86-N565 VanDerWaalsContact CA-C 3.45Å; R86-N565 WeakPolarHBondContact CA-O 3.38Å; R86-N565 HydrophobicContact CB-CB 3.73Å; R86-N565 WeakPolarHBondContact CB-OD1 3.36Å; R86-N565 WeakPolarHBondContact CD-OD1 3.3Å; R86-N565 HydrophobicContact CG-CB 3.66Å; R86-N565 VanDerWaalsContact CG-CG 3.43Å; R86-N565 WeakPolarHBondContact CG-OD1 3.21Å; V87-N565 WeakPolarHBondContact CA-O 3.23Å; V87-N565 WeakPolarHBondContact CB-O 3.42Å; V87-N565 WeakPolarHBondContact CG2-O 3.4Å; V87-N565 PolarHBondContact N-O 3.23Å; T537-N565 WeakPolarHBondContact CG2-OD1 3.15Å
566	N	73.3	Confident	82.6	Confident	56 Å²	56	26.3 Å²	26.3	30%	0.299	14%	0.137	S	C	.	.	S	Bend	trans	-97.5	-11.5	-161.1	-47.7	31	0	0	0	115.4	E84 N85 S564	E84-N566 VanDerWaalsContact C-ND2 3.26Å; E84-N566 WeakPolarHBondContact CA-ND2 3.33Å; N85-N566 PolarHBondContact N-ND2 3.28Å; N85-N566 WeakPolarHBondContact O-CA 3.02Å; N85-N566 WeakPolarHBondContact O-CB 3.31Å; N85-N566 PolarHBondContact O-N 3.29Å; N85-N566 VanDerWaalsContact O-N 3.08Å; N85-N566 PolarHBondContact O-OD1 3.03Å; S564-N566 PolarHBondContact OG-N 3.4Å; S564-N566 VanDerWaalsContact OG-N 3.08Å
567	E	77	Confident	84.3	Confident	46 Å²	46	29.2 Å²	29.2	22%	0.215	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	151.5	-164.1	-64.7	-177.8	-178.5	0	0	111.4	T79 F530 S564 R569	T79-E567 HydrophobicContact CG2-CG 4.15Å; F530-E567 HydrophobicContact CD1-CB 4.26Å; F530-E567 HydrophobicContact CE1-CB 3.64Å; F530-E567 HydrophobicContact CZ-CB 4.47Å; S564-E567 PolarHBondContact N-O 2.84Å; S564-E567 PolarHBondContact OG-N 3.43Å; S564-E567 VanDerWaalsContact OG-N 3.07Å; S564-E567 PolarHBondContact OG-O 3.27Å; E567-R569 IonicContact OE2-CZ 3.01Å; E567-R569 IonicContact OE2-NE 2.86Å; E567-R569 PolarHBondContact OE2-NE 2.9Å; E567-R569 VanDerWaalsContact OE2-NE 3.17Å; E567-R569 IonicContact OE2-NH2 3.69Å; E567-R569 PolarHBondContact OE2-NH2 2.84Å
568	I	79.5	Confident	85.1	Confident	1 Å²	1	32.2 Å²	32.2	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	134.8	167.4	-49.4	179	0	0	0	108.2	F78 V87 V103 F120 V561 V562 M563	F78-I568 PolarHBondContact N-O 3.42Å; F78-I568 PolarHBondContact O-N 2.89Å; V87-I568 HydrophobicContact CG1-CD1 3.7Å; V87-I568 HydrophobicContact CG1-CG1 3.71Å; V103-I568 HydrophobicContact CB-CD1 4.44Å; V103-I568 HydrophobicContact CG1-CD1 3.23Å; V103-I568 HydrophobicContact CG2-CD1 4.43Å; F120-I568 HydrophobicContact CE1-CG2 3.97Å; F120-I568 HydrophobicContact CE2-CG2 4.33Å; F120-I568 HydrophobicContact CZ-CB 4.09Å; F120-I568 HydrophobicContact CZ-CG2 3.42Å; F120-I568 VanDerWaalsContact CZ-CG2 3.42Å; V561-I568 HydrophobicContact CG1-CG2 3.83Å; V562-I568 WeakPolarHBondContact O-CA 3.29Å; M563-I568 HydrophobicContact CE-CD1 3.95Å; M563-I568 HydrophobicContact CE-CG1 4.18Å; M563-I568 HydrophobicContact CG-CG1 4.48Å; M563-I568 HydrophobicContact CG-CG2 4.18Å
569	R	84.8	Confident	85.5	Confident	67 Å²	67	33.5 Å²	33.5	25%	0.253	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	140.4	175.8	-62.9	-171.8	-176.5	-161.5	-2	110.6	S76 V77 V529 F530 V562 E567	S76-R569 WeakPolarHBondContact O-CA 3.03Å; V77-R569 HydrophobicContact CG1-CG 4.31Å; V77-R569 HydrophobicContact CG2-CG 4.08Å; V529-R569 HydrophobicContact CG1-CB 4.21Å; V529-R569 PolarHBondContact O-NH1 2.63Å; F530-R569 HydrophobicContact CE1-CB 4.48Å; F530-R569 HydrophobicContact CE1-CG 3.7Å; F530-R569 HydrophobicContact CZ-CG 4.2Å; V562-R569 PolarHBondContact N-O 3.41Å; V562-R569 PolarHBondContact O-N 2.9Å; E567-R569 IonicContact OE2-CZ 3.01Å; E567-R569 IonicContact OE2-NE 2.86Å; E567-R569 PolarHBondContact OE2-NE 2.9Å; E567-R569 VanDerWaalsContact OE2-NE 3.17Å; E567-R569 IonicContact OE2-NH2 3.69Å; E567-R569 PolarHBondContact OE2-NH2 2.84Å
570	L	83.4	Confident	85.6	Confident	6 Å²	6	36.1 Å²	36.1	3%	0.031	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	123	168	-74.1	162.5	0	0	0	108.4	S76 A117 F120 K559 L560 V561	S76-L570 WeakPolarHBondContact CB-O 3.34Å; S76-L570 PolarHBondContact O-N 2.98Å; A117-L570 WeakPolarHBondContact O-CD1 3.46Å; F120-L570 HydrophobicContact CD1-CD1 3.98Å; F120-L570 HydrophobicContact CD2-CD1 3.62Å; F120-L570 HydrophobicContact CD2-CG 4.13Å; F120-L570 HydrophobicContact CE1-CD1 3.78Å; F120-L570 HydrophobicContact CE1-CD2 4.35Å; F120-L570 HydrophobicContact CE1-CG 3.91Å; F120-L570 HydrophobicContact CE2-CB 4.12Å; F120-L570 HydrophobicContact CE2-CD1 3.43Å; F120-L570 VanDerWaalsContact CE2-CD1 3.43Å; F120-L570 HydrophobicContact CE2-CG 3.4Å; F120-L570 VanDerWaalsContact CE2-CG 3.4Å; F120-L570 HydrophobicContact CG-CD1 3.91Å; F120-L570 HydrophobicContact CZ-CB 4.36Å; F120-L570 HydrophobicContact CZ-CD1 3.53Å; F120-L570 HydrophobicContact CZ-CD2 4.02Å; F120-L570 HydrophobicContact CZ-CG 3.29Å; K559-L570 HydrophobicContact CB-CD2 4.14Å; K559-L570 HydrophobicContact CD-CB 4.24Å; K559-L570 HydrophobicContact CD-CD1 4.41Å; K559-L570 HydrophobicContact CD-CD2 4.18Å; K559-L570 HydrophobicContact CD-CG 4.48Å; L560-L570 WeakPolarHBondContact O-CA 3.44Å; V561-L570 HydrophobicContact CB-CD2 4.46Å; V561-L570 HydrophobicContact CG2-CD2 3.73Å
571	L	87.4	Confident	85.7	Confident	31 Å²	31	38.4 Å²	38.4	16%	0.162	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	143.3	174	-54.2	178.1	0	0	0	109.1	V529 K559 L560 V562	V529-L571 HydrophobicContact CB-CD1 4.44Å; V529-L571 HydrophobicContact CG1-CD1 4.04Å; V529-L571 HydrophobicContact CG2-CD1 3.55Å; K559-L571 CarbonylContact C-O 3.57Å; K559-L571 WeakPolarHBondContact CA-O 3.45Å; L560-L571 HydrophobicContact CB-CB 4.33Å; L560-L571 PolarHBondContact N-O 3.21Å; L560-L571 PolarHBondContact O-N 2.86Å; V562-L571 HydrophobicContact CG2-CD1 3.68Å; V562-L571 HydrophobicContact CG2-CG 4.12Å
572	P	87.9	Confident	85.9	Confident	61 Å²	61	39 Å²	39	40%	0.396	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	149.3	166	30.9	-34.7	0	0	0	109.2	F574 H575	P572-F574 PolarHBondContact O-N 3.5Å; P572-H575 VanDerWaalsContact CG-NE2 3.33Å; P572-H575 WeakPolarHBondContact CG-NE2 3.45Å
573	L	89.5	Confident	86	Confident	3 Å²	3	45 Å²	45	2%	0.016	25%	0.247	C	C	.	.	S	Bend	trans	-69.7	-20.3	179.2	-67.7	178	0	0	0	113.4	F498 K508 V541 A558 L560 Y592	F498-L573 HydrophobicContact CE1-CD2 4.25Å; F498-L573 HydrophobicContact CE2-CD2 3.82Å; F498-L573 HydrophobicContact CZ-CB 4.39Å; F498-L573 HydrophobicContact CZ-CD2 3.52Å; F498-L573 HydrophobicContact CZ-CG 4.49Å; K508-L573 PolarHBondContact NZ-O 3.37Å; V541-L573 HydrophobicContact CG1-CD1 4.17Å; V541-L573 HydrophobicContact CG1-CD2 4.1Å; V541-L573 HydrophobicContact CG2-CD2 4.3Å; A558-L573 HydrophobicContact CB-CD1 3.38Å; A558-L573 HydrophobicContact CB-CG 4.34Å; A558-L573 WeakPolarHBondContact O-CG 3.35Å; L560-L573 HydrophobicContact CB-CD2 3.96Å; L573-Y592 HydrophobicContact CB-CE2 4.21Å; L573-Y592 HydrophobicContact CD1-CE1 4.49Å
574	F	90.3	Very high	86.3	Confident	34 Å²	34	47.1 Å²	47.1	15%	0.149	26%	0.261	C	S	.	.			trans	-149.9	153.1	-176.1	52.4	-97.4	0	0	0	112.2	P572 C576 Y592 G604 D606	P572-F574 PolarHBondContact O-N 3.5Å; F574-C576 WeakPolarHBondContact CD2-SG 3.5Å; F574-Y592 HydrophobicContact CB-CD2 3.88Å; F574-Y592 HydrophobicContact CB-CG 4.15Å; F574-Y592 AromaticContact CD1-CD1 3.94Å; F574-Y592 HydrophobicContact CD1-CD1 3.94Å; F574-Y592 AromaticContact CD1-CD2 3.79Å; F574-Y592 HydrophobicContact CD1-CD2 3.79Å; F574-Y592 AromaticContact CD1-CG 3.43Å; F574-Y592 HydrophobicContact CD1-CG 3.43Å; F574-Y592 VanDerWaalsContact CD1-CG 3.43Å; F574-Y592 HydrophobicContact CE1-CD1 4.28Å; F574-Y592 HydrophobicContact CE1-CG 4.16Å; F574-Y592 HydrophobicContact CG-CD2 4.27Å; F574-Y592 HydrophobicContact CG-CG 4.09Å; F574-G604 VanDerWaalsContact CE2-CA 3.49Å; F574-D606 WeakPolarHBondContact CE1-OD1 3.3Å
575	H	89.8	Confident	86.7	Confident	61 Å²	61	47.2 Å²	47.2	28%	0.282	26%	0.262	S	S	.	.			trans	-122.7	42.7	-177	-58.2	108	0	0	0	112	E525 P572 S577 V578	E525-H575 IonicContact OE1-CE1 2.77Å; E525-H575 IonicContact OE1-ND1 3.15Å; E525-H575 PolarHBondContact OE1-ND1 2.77Å; E525-H575 IonicContact OE2-CE1 2.85Å; E525-H575 IonicContact OE2-ND1 3.27Å; E525-H575 PolarHBondContact OE2-ND1 2.94Å; E525-H575 VanDerWaalsContact OE2-ND1 3.12Å; P572-H575 VanDerWaalsContact CG-NE2 3.33Å; P572-H575 WeakPolarHBondContact CG-NE2 3.45Å; H575-S577 PolarHBondContact O-N 3.25Å; H575-S577 VanDerWaalsContact O-N 3.16Å; H575-V578 HydrophobicContact CB-CG2 3.84Å; H575-V578 WeakPolarHBondContact O-CB 3.45Å; H575-V578 VanDerWaalsContact O-CG2 3.31Å; H575-V578 WeakPolarHBondContact O-CG2 3Å; H575-V578 PolarHBondContact O-N 2.86Å; H575-V578 VanDerWaalsContact O-N 3.14Å
576	C	90.2	Very high	87.4	Confident	3 Å²	3	46.7 Å²	46.7	2%	0.02	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-59.2	-32.5	-171.7	-48.4	0	0	0	0	113.8	F574 V578 V579 C593 C602 G604	F574-C576 WeakPolarHBondContact CD2-SG 3.5Å; C576-V578 PolarHBondContact O-N 3.48Å; C576-V579 WeakPolarHBondContact O-CG2 2.98Å; C576-C593 WeakPolarHBondContact CA-SG 3.41Å; C576-C593 HydrophobicContact CB-CB 3.78Å; C576-C593 WeakPolarHBondContact CB-SG 3.46Å; C576-C593 WeakPolarHBondContact SG-CA 3.41Å; C576-C593 WeakPolarHBondContact SG-CB 3.39Å; C576-C593 CovalentContact SG-SG 2.03Å; C576-C593 PolarHBondContact SG-SG 3.49Å; C576-C602 VanDerWaalsContact O-CB 3.28Å; C576-C602 WeakPolarHBondContact O-CB 3.31Å; C576-C602 PolarHBondContact O-SG 2.88Å; C576-C602 VanDerWaalsContact O-SG 3.33Å; C576-G604 WeakPolarHBondContact SG-CA 3.47Å
577	S	87.8	Confident	88.2	Confident	108 Å²	108	48 Å²	48	76%	0.755	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-71	-8.3	-178.2	54.1	0	0	0	0	114.4	H575 V579	H575-S577 PolarHBondContact O-N 3.25Å; H575-S577 VanDerWaalsContact O-N 3.16Å; S577-V579 PolarHBondContact O-N 3.01Å
578	V	87.4	Confident	88.9	Confident	108 Å²	108	47.7 Å²	47.7	66%	0.655	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-67.5	-24	178.8	175.6	0	0	0	0	111.9	H575 C576	H575-V578 HydrophobicContact CB-CG2 3.84Å; H575-V578 WeakPolarHBondContact O-CB 3.45Å; H575-V578 VanDerWaalsContact O-CG2 3.31Å; H575-V578 WeakPolarHBondContact O-CG2 3Å; H575-V578 PolarHBondContact O-N 2.86Å; H575-V578 VanDerWaalsContact O-N 3.14Å; C576-V578 PolarHBondContact O-N 3.48Å
579	V	89.6	Confident	89.4	Confident	28 Å²	28	52 Å²	52	17%	0.17	29%	0.286	C	S	.	.			trans	-111.2	139.7	-179.5	-62.6	0	0	0	0	111.6	C576 S577 C585 L588 C602	C576-V579 WeakPolarHBondContact O-CG2 2.98Å; S577-V579 PolarHBondContact O-N 3.01Å; V579-C585 HydrophobicContact CG2-CB 3.96Å; V579-L588 HydrophobicContact CG1-CD2 4.37Å; V579-L588 HydrophobicContact CG2-CD1 3.79Å; V579-L588 HydrophobicContact CG2-CG 4.33Å; V579-C602 HydrophobicContact CG2-CB 3.87Å; V579-C602 WeakPolarHBondContact O-CB 3.44Å
580	S	89.1	Confident	89.8	Confident	106 Å²	106	49.4 Å²	49.4	74%	0.741	28%	0.277	S	S	*	.			trans	-112.5	0.9	-171.8	58.4	0	0	0	0	114.2	W595	S580-W595 VanDerWaalsContact O-CH2 3.3Å; S580-W595 WeakPolarHBondContact O-CH2 3.47Å
581	D	90.9	Very high	90.2	Very high	53 Å²	53	49.4 Å²	49.4	28%	0.283	28%	0.278	S	S	.	.	S	Bend	trans	-125.7	153.5	179.2	76.6	89.8	0	0	0	112.7	W583 S584 C585	D581-W583 VanDerWaalsContact C-N 3.33Å; D581-W583 PolarHBondContact O-N 3.44Å; D581-W583 WeakPolarHBondContact OD1-CB 3.2Å; D581-W583 PolarHBondContact OD1-N 3.33Å; D581-W583 VanDerWaalsContact OD1-N 3.07Å; D581-S584 VanDerWaalsContact CG-OG 3.23Å; D581-S584 PolarHBondContact O-N 3.47Å; D581-S584 PolarHBondContact OD1-N 3.42Å; D581-S584 PolarHBondContact OD1-OG 3.39Å; D581-S584 WeakPolarHBondContact OD2-CB 3.42Å; D581-S584 PolarHBondContact OD2-OG 2.99Å; D581-C585 WeakPolarHBondContact O-CB 3.39Å; D581-C585 PolarHBondContact O-N 3.47Å
582	C	91.8	Very high	90.4	Very high	12 Å²	12	48 Å²	48	8%	0.081	27%	0.27	C	S	.	.	H	α-helix	trans	-58.5	-43.7	-176.3	-177.2	0	0	0	0	112.8	C585 L586 W595 L622 C628	C582-C585 PolarHBondContact O-N 3.08Å; C582-L586 WeakPolarHBondContact O-CG 3.34Å; C582-L586 PolarHBondContact O-N 2.93Å; C582-W595 HydrophobicContact CB-CD2 3.81Å; C582-W595 HydrophobicContact CB-CE3 4.43Å; C582-W595 HydrophobicContact CB-CG 3.98Å; C582-W595 HydrophobicContact CB-CZ2 4.09Å; C582-L622 WeakPolarHBondContact SG-CD1 3.06Å; C582-C628 HydrophobicContact CB-CB 3.87Å; C582-C628 WeakPolarHBondContact CB-SG 3.25Å; C582-C628 PolarHBondContact O-SG 3.3Å; C582-C628 WeakPolarHBondContact SG-CA 3.45Å; C582-C628 WeakPolarHBondContact SG-CB 3.3Å; C582-C628 CovalentContact SG-SG 2.04Å; C582-C628 PolarHBondContact SG-SG 2.91Å
583	W	91.1	Very high	90.6	Very high	126 Å²	126	45.7 Å²	45.7	48%	0.477	26%	0.255	S	S	.	.	H	α-helix	trans	-67	-47.3	-176	-85.3	95.1	0	0	0	110.5	D581 L586 N587 K625 C628	D581-W583 VanDerWaalsContact C-N 3.33Å; D581-W583 PolarHBondContact O-N 3.44Å; D581-W583 WeakPolarHBondContact OD1-CB 3.2Å; D581-W583 PolarHBondContact OD1-N 3.33Å; D581-W583 VanDerWaalsContact OD1-N 3.07Å; W583-L586 PolarHBondContact O-N 3.24Å; W583-N587 WeakPolarHBondContact O-CB 3.24Å; W583-N587 PolarHBondContact O-N 3.09Å; W583-K625 HydrophobicContact CE3-CB 4.14Å; W583-K625 HydrophobicContact CE3-CD 4.45Å; W583-K625 HydrophobicContact CE3-CG 4.48Å; W583-K625 HydrophobicContact CH2-CB 4.12Å; W583-K625 HydrophobicContact CZ3-CB 3.68Å; W583-K625 HydrophobicContact CZ3-CD 4.22Å; W583-K625 HydrophobicContact CZ3-CG 4.34Å; W583-C628 HydrophobicContact CD2-CB 4.41Å; W583-C628 HydrophobicContact CG-CB 4.32Å
584	S	92	Very high	90.7	Very high	44 Å²	44	45.5 Å²	45.5	31%	0.308	26%	0.255	S	S	.	.	H	α-helix	trans	-62.6	-43.7	176.7	-59.9	0	0	0	0	111.9	D581 L586 N587 L588	D581-S584 VanDerWaalsContact CG-OG 3.23Å; D581-S584 PolarHBondContact O-N 3.47Å; D581-S584 PolarHBondContact OD1-N 3.42Å; D581-S584 PolarHBondContact OD1-OG 3.39Å; D581-S584 WeakPolarHBondContact OD2-CB 3.42Å; D581-S584 PolarHBondContact OD2-OG 2.99Å; S584-L586 PolarHBondContact O-N 2.93Å; S584-N587 PolarHBondContact O-N 3.35Å; S584-L588 PolarHBondContact O-N 2.88Å; S584-L588 VanDerWaalsContact O-N 3.13Å
585	C	92.5	Very high	90.6	Very high	3 Å²	3	44.6 Å²	44.6	2%	0.02	25%	0.25	C	S	.	.	H	α-helix	trans	-55.1	-52.2	175.8	-174	0	0	0	0	112.3	V579 D581 C582 N587 L588 A594 W595 C602	V579-C585 HydrophobicContact CG2-CB 3.96Å; D581-C585 WeakPolarHBondContact O-CB 3.39Å; D581-C585 PolarHBondContact O-N 3.47Å; C582-C585 PolarHBondContact O-N 3.08Å; C585-N587 PolarHBondContact O-N 3.31Å; C585-L588 WeakPolarHBondContact O-CB 3.35Å; C585-L588 PolarHBondContact O-N 2.77Å; C585-A594 VanDerWaalsContact SG-C 3.55Å; C585-W595 HydrophobicContact CB-CB 4.41Å; C585-W595 HydrophobicContact CB-CE3 3.77Å; C585-W595 HydrophobicContact CB-CZ3 4.5Å; C585-C602 HydrophobicContact CB-CB 3.59Å; C585-C602 WeakPolarHBondContact CB-SG 3.47Å; C585-C602 VanDerWaalsContact SG-CA 3.59Å; C585-C602 WeakPolarHBondContact SG-CB 3.48Å; C585-C602 CovalentContact SG-SG 2.04Å; C585-C602 PolarHBondContact SG-SG 3.21Å
586	L	90.6	Very high	90.5	Very high	23 Å²	23	42.4 Å²	42.4	12%	0.12	24%	0.24	C	C	.	.	H	α-helix	trans	-75.4	-11.3	179.1	-60.3	-178.4	0	0	0	113	C582 W583 S584 W595 L622 A624 K625	C582-L586 WeakPolarHBondContact O-CG 3.34Å; C582-L586 PolarHBondContact O-N 2.93Å; W583-L586 PolarHBondContact O-N 3.24Å; S584-L586 PolarHBondContact O-N 2.93Å; L586-W595 HydrophobicContact CD2-CB 4.36Å; L586-W595 HydrophobicContact CG-CB 4.49Å; L586-L622 HydrophobicContact CD1-CB 4.09Å; L586-A624 WeakPolarHBondContact CD1-O 3.24Å; L586-K625 HydrophobicContact CB-CG 3.84Å; L586-K625 WeakPolarHBondContact O-CE 3.36Å
587	N	90.5	Very high	90.2	Very high	83 Å²	83	44.6 Å²	44.6	44%	0.444	25%	0.253	S	S	.	.	H	α-helix	trans	-85.1	-19	174.3	-157.9	52.1	0	0	0	113.1	W583 S584 C585 Q589 K625	W583-N587 WeakPolarHBondContact O-CB 3.24Å; W583-N587 PolarHBondContact O-N 3.09Å; S584-N587 PolarHBondContact O-N 3.35Å; C585-N587 PolarHBondContact O-N 3.31Å; N587-Q589 PolarHBondContact O-N 3.1Å; N587-Q589 PolarHBondContact O-NE2 3.03Å; N587-K625 PolarHBondContact OD1-NZ 2.86Å
588	L	90.2	Very high	90	Very high	41 Å²	41	46.6 Å²	46.6	22%	0.215	25%	0.248	C	C	.	.	S	Bend	trans	-54.4	-34.2	170	-66.6	177.7	0	0	0	111.5	V579 S584 C585 D590 C593	V579-L588 HydrophobicContact CG1-CD2 4.37Å; V579-L588 HydrophobicContact CG2-CD1 3.79Å; V579-L588 HydrophobicContact CG2-CG 4.33Å; S584-L588 PolarHBondContact O-N 2.88Å; S584-L588 VanDerWaalsContact O-N 3.13Å; C585-L588 WeakPolarHBondContact O-CB 3.35Å; C585-L588 PolarHBondContact O-N 2.77Å; L588-D590 HydrophobicContact CB-CB 4.13Å; L588-D590 PolarHBondContact O-N 3.1Å; L588-C593 HydrophobicContact CD1-CB 4.32Å
589	Q	90.4	Very high	89.9	Confident	90 Å²	90	47.5 Å²	47.5	42%	0.421	24%	0.243	S	C	.	.			trans	55.1	28.9	-175.8	-66.1	162.5	79.9	0	0	112.5	I522 N587	I522-Q589 HydrophobicContact CG2-CB 4.45Å; N587-Q589 PolarHBondContact O-N 3.1Å; N587-Q589 PolarHBondContact O-NE2 3.03Å
590	D	92.8	Very high	89.9	Confident	13 Å²	13	53.6 Å²	53.6	7%	0.07	27%	0.267	C	S	.	.			trans	-92.2	120	-179.3	-169.8	-22.6	0	0	0	109.1	K508 I524 L588 Y592 C593	K508-D590 IonicContact NZ-OD1 3.91Å; K508-D590 PolarHBondContact NZ-OD1 3.39Å; K508-D590 IonicContact NZ-OD2 2.9Å; K508-D590 PolarHBondContact NZ-OD2 3.14Å; I524-D590 HydrophobicContact CG2-CB 3.85Å; L588-D590 HydrophobicContact CB-CB 4.13Å; L588-D590 PolarHBondContact O-N 3.1Å; D590-Y592 PolarHBondContact O-N 2.89Å; D590-Y592 VanDerWaalsContact O-N 3.16Å; D590-Y592 WeakPolarHBondContact OD1-CD2 3.29Å; D590-Y592 PolarHBondContact OD1-N 3.29Å; D590-C593 HydrophobicContact CB-CB 4.09Å; D590-C593 PolarHBondContact O-N 2.98Å
591	P	92.7	Very high	89.9	Confident	7 Å²	7	52.3 Å²	52.3	5%	0.045	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-22.9	-177.1	25.2	-34.6	0	0	0	113.3	V486 A488 Y494 V496 I510 C593 W608	V486-P591 HydrophobicContact CG1-CB 4.12Å; V486-P591 HydrophobicContact CG1-CG 4.32Å; A488-P591 HydrophobicContact CB-CB 3.74Å; Y494-P591 HydrophobicContact CD2-CB 4.06Å; V496-P591 HydrophobicContact CG2-CG 3.62Å; I510-P591 HydrophobicContact CG2-CG 4.2Å; P591-C593 VanDerWaalsContact C-N 3.34Å; P591-W608 PolarHBondContact O-NE1 2.81Å
592	Y	92.1	Very high	89.9	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-21.4	175.4	-53.9	-71.8	0	0	0	112.9	D483 V486 V496 L573 F574 D590 G604 Q605 D606 W608	D483-Y592 WeakPolarHBondContact CB-OH 3.13Å; D483-Y592 WeakPolarHBondContact OD2-CE1 3.46Å; D483-Y592 PolarHBondContact OD2-OH 3Å; V486-Y592 HydrophobicContact CB-CE1 4.25Å; V486-Y592 HydrophobicContact CG1-CD1 3.67Å; V486-Y592 HydrophobicContact CG1-CE1 3.47Å; V486-Y592 VanDerWaalsContact CG1-CE1 3.47Å; V486-Y592 HydrophobicContact CG2-CE1 3.72Å; V496-Y592 HydrophobicContact CG1-CE2 4.18Å; V496-Y592 HydrophobicContact CG2-CE2 4.18Å; L573-Y592 HydrophobicContact CB-CE2 4.21Å; L573-Y592 HydrophobicContact CD1-CE1 4.49Å; F574-Y592 HydrophobicContact CB-CD2 3.88Å; F574-Y592 HydrophobicContact CB-CG 4.15Å; F574-Y592 AromaticContact CD1-CD1 3.94Å; F574-Y592 HydrophobicContact CD1-CD1 3.94Å; F574-Y592 AromaticContact CD1-CD2 3.79Å; F574-Y592 HydrophobicContact CD1-CD2 3.79Å; F574-Y592 AromaticContact CD1-CG 3.43Å; F574-Y592 HydrophobicContact CD1-CG 3.43Å; F574-Y592 VanDerWaalsContact CD1-CG 3.43Å; F574-Y592 HydrophobicContact CE1-CD1 4.28Å; F574-Y592 HydrophobicContact CE1-CG 4.16Å; F574-Y592 HydrophobicContact CG-CD2 4.27Å; F574-Y592 HydrophobicContact CG-CG 4.09Å; D590-Y592 PolarHBondContact O-N 2.89Å; D590-Y592 VanDerWaalsContact O-N 3.16Å; D590-Y592 WeakPolarHBondContact OD1-CD2 3.29Å; D590-Y592 PolarHBondContact OD1-N 3.29Å; Y592-G604 WeakPolarHBondContact O-CA 3.4Å; Y592-Q605 WeakPolarHBondContact CB-O 3.05Å; Y592-Q605 WeakPolarHBondContact CD1-O 3.4Å; Y592-Q605 PolarHBondContact O-N 2.76Å; Y592-D606 WeakPolarHBondContact CD1-O 3.45Å; Y592-D606 WeakPolarHBondContact CE1-O 3.43Å; Y592-W608 WeakPolarHBondContact O-CZ2 3.24Å; Y592-W608 PolarHBondContact O-NE1 2.92Å
593	C	91.8	Very high	89.7	Confident	13 Å²	13	52.3 Å²	52.3	9%	0.088	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	139.3	-172.2	-59.1	0	0	0	0	112.7	C576 L588 D590 P591	C576-C593 WeakPolarHBondContact CA-SG 3.41Å; C576-C593 HydrophobicContact CB-CB 3.78Å; C576-C593 WeakPolarHBondContact CB-SG 3.46Å; C576-C593 WeakPolarHBondContact SG-CA 3.41Å; C576-C593 WeakPolarHBondContact SG-CB 3.39Å; C576-C593 CovalentContact SG-SG 2.03Å; C576-C593 PolarHBondContact SG-SG 3.49Å; L588-C593 HydrophobicContact CD1-CB 4.32Å; D590-C593 HydrophobicContact CB-CB 4.09Å; D590-C593 PolarHBondContact O-N 2.98Å; P591-C593 VanDerWaalsContact C-N 3.34Å
594	A	90.2	Very high	89.5	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	162.5	167.5	0	0	0	0	0	112.8	A489 C585 F603 W608 I621	A489-A594 HydrophobicContact CB-CB 3.78Å; C585-A594 VanDerWaalsContact SG-C 3.55Å; A594-F603 PolarHBondContact N-O 3.3Å; A594-F603 WeakPolarHBondContact O-CD1 3.22Å; A594-F603 PolarHBondContact O-N 2.94Å; A594-W608 HydrophobicContact CB-CH2 3.37Å; A594-W608 HydrophobicContact CB-CZ2 3.35Å; A594-W608 HydrophobicContact CB-CZ3 4.29Å; A594-I621 HydrophobicContact CB-CG2 3.43Å; A594-I621 VanDerWaalsContact CB-CG2 3.43Å
595	W	89	Confident	89.1	Confident	15 Å²	15	47.6 Å²	47.6	6%	0.057	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	126.4	-179.1	-179.2	-98.4	0	0	0	112	S580 C582 C585 L586 K600 I601 C602 I621 L622	S580-W595 VanDerWaalsContact O-CH2 3.3Å; S580-W595 WeakPolarHBondContact O-CH2 3.47Å; C582-W595 HydrophobicContact CB-CD2 3.81Å; C582-W595 HydrophobicContact CB-CE3 4.43Å; C582-W595 HydrophobicContact CB-CG 3.98Å; C582-W595 HydrophobicContact CB-CZ2 4.09Å; C585-W595 HydrophobicContact CB-CB 4.41Å; C585-W595 HydrophobicContact CB-CE3 3.77Å; C585-W595 HydrophobicContact CB-CZ3 4.5Å; L586-W595 HydrophobicContact CD2-CB 4.36Å; L586-W595 HydrophobicContact CG-CB 4.49Å; W595-K600 HydrophobicContact CH2-CB 4.3Å; W595-K600 WeakPolarHBondContact CH2-O 3.38Å; W595-K600 VanDerWaalsContact CZ2-C 3.46Å; W595-K600 VanDerWaalsContact CZ2-CA 3.42Å; W595-K600 HydrophobicContact CZ2-CB 3.91Å; W595-I601 VanDerWaalsContact CE3-C 3.43Å; W595-I601 VanDerWaalsContact CZ3-C 3.42Å; W595-C602 HydrophobicContact CE3-CB 4.01Å; W595-C602 HydrophobicContact CZ3-CB 4.22Å; W595-I621 WeakPolarHBondContact O-CA 3.3Å; W595-L622 HydrophobicContact CB-CB 4.38Å; W595-L622 PolarHBondContact O-N 3.33Å
596	H	87.1	Confident	88.5	Confident	15 Å²	15	49 Å²	49	7%	0.069	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	111.9	174	-162.9	-46.4	0	0	0	111.3	K598 K599 K600 I601 F603	H596-K598 PolarHBondContact ND1-N 2.74Å; H596-K598 PolarHBondContact O-N 2.85Å; H596-K599 HydrophobicContact CB-CB 4.2Å; H596-K599 PolarHBondContact ND1-N 3.17Å; H596-K600 WeakPolarHBondContact O-CA 3.25Å; H596-K600 PolarHBondContact O-N 3.26Å; H596-I601 HydrophobicContact CB-CG1 4.1Å; H596-I601 PolarHBondContact N-O 2.83Å; H596-F603 HydrophobicContact CB-CD1 3.82Å; H596-F603 HydrophobicContact CB-CE1 3.64Å
597	V	84.2	Confident	87.7	Confident	48 Å²	48	50.2 Å²	50.2	29%	0.291	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-50.5	-174.1	178.5	0	0	0	0	113.1	K600 M620 L622	V597-K600 WeakPolarHBondContact O-CG 3.46Å; V597-M620 HydrophobicContact CB-CB 4.36Å; V597-M620 WeakPolarHBondContact CB-O 3.43Å; V597-M620 VanDerWaalsContact CG2-O 3.23Å; V597-M620 WeakPolarHBondContact CG2-O 3.47Å; V597-M620 PolarHBondContact N-O 2.96Å; V597-L622 HydrophobicContact CG2-CD1 3.76Å; V597-L622 HydrophobicContact CG2-CD2 3.73Å; V597-L622 HydrophobicContact CG2-CG 3.4Å; V597-L622 VanDerWaalsContact CG2-CG 3.4Å
598	K	83.5	Confident	87	Confident	151 Å²	151	46.5 Å²	46.5	66%	0.657	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-50.2	-179.5	-95.4	-177.3	-172.3	148.4	0	113	H596 K600 M620	H596-K598 PolarHBondContact ND1-N 2.74Å; H596-K598 PolarHBondContact O-N 2.85Å; K598-K600 VanDerWaalsContact C-N 3.26Å; K598-K600 PolarHBondContact O-N 3.45Å; K598-M620 HydrophobicContact CB-SD 4.09Å; K598-M620 HydrophobicContact CD-CE 3.78Å; K598-M620 HydrophobicContact CD-SD 3.16Å; K598-M620 WeakPolarHBondContact CD-SD 3.45Å; K598-M620 VanDerWaalsContact CE-CE 3.44Å; K598-M620 WeakPolarHBondContact CE-SD 3.5Å; K598-M620 HydrophobicContact CG-CE 3.53Å; K598-M620 HydrophobicContact CG-SD 3.4Å; K598-M620 WeakPolarHBondContact CG-SD 3.41Å; K598-M620 PolarHBondContact NZ-SD 2.79Å
599	K	85.7	Confident	86.1	Confident	127 Å²	127	50.7 Å²	50.7	55%	0.552	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-19.5	-176.7	-65.7	-179.7	-174.1	170.3	0	112.3	H596 I601	H596-K599 HydrophobicContact CB-CB 4.2Å; H596-K599 PolarHBondContact ND1-N 3.17Å; K599-I601 VanDerWaalsContact C-N 3.29Å; K599-I601 HydrophobicContact CB-CD1 4.01Å; K599-I601 HydrophobicContact CB-CG1 3.8Å; K599-I601 HydrophobicContact CD-CD1 4.1Å; K599-I601 PolarHBondContact O-N 3.31Å
600	K	89.1	Confident	84.8	Confident	155 Å²	155	51.4 Å²	51.4	67%	0.674	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	44.8	-175.4	-57.8	-179.7	179.8	178.4	0	112.3	W595 H596 V597 K598	W595-K600 HydrophobicContact CH2-CB 4.3Å; W595-K600 WeakPolarHBondContact CH2-O 3.38Å; W595-K600 VanDerWaalsContact CZ2-C 3.46Å; W595-K600 VanDerWaalsContact CZ2-CA 3.42Å; W595-K600 HydrophobicContact CZ2-CB 3.91Å; H596-K600 WeakPolarHBondContact O-CA 3.25Å; H596-K600 PolarHBondContact O-N 3.26Å; V597-K600 WeakPolarHBondContact O-CG 3.46Å; K598-K600 VanDerWaalsContact C-N 3.26Å; K598-K600 PolarHBondContact O-N 3.45Å
601	I	89.6	Confident	83.1	Confident	79 Å²	79	55.8 Å²	55.8	41%	0.405	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	145.5	178.2	63	178.2	0	0	0	109.7	W595 H596 K599 F603	W595-I601 VanDerWaalsContact CE3-C 3.43Å; W595-I601 VanDerWaalsContact CZ3-C 3.42Å; H596-I601 HydrophobicContact CB-CG1 4.1Å; H596-I601 PolarHBondContact N-O 2.83Å; K599-I601 VanDerWaalsContact C-N 3.29Å; K599-I601 HydrophobicContact CB-CD1 4.01Å; K599-I601 HydrophobicContact CB-CG1 3.8Å; K599-I601 HydrophobicContact CD-CD1 4.1Å; K599-I601 PolarHBondContact O-N 3.31Å; I601-F603 HydrophobicContact CD1-CB 4.45Å
602	C	90.3	Very high	81.3	Confident	8 Å²	8	59.1 Å²	59.1	5%	0.054	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	124	161.8	-164.1	0	0	0	0	107.5	C576 V579 C585 W595	C576-C602 VanDerWaalsContact O-CB 3.28Å; C576-C602 WeakPolarHBondContact O-CB 3.31Å; C576-C602 PolarHBondContact O-SG 2.88Å; C576-C602 VanDerWaalsContact O-SG 3.33Å; V579-C602 HydrophobicContact CG2-CB 3.87Å; V579-C602 WeakPolarHBondContact O-CB 3.44Å; C585-C602 HydrophobicContact CB-CB 3.59Å; C585-C602 WeakPolarHBondContact CB-SG 3.47Å; C585-C602 VanDerWaalsContact SG-CA 3.59Å; C585-C602 WeakPolarHBondContact SG-CB 3.48Å; C585-C602 CovalentContact SG-SG 2.04Å; C585-C602 PolarHBondContact SG-SG 3.21Å; W595-C602 HydrophobicContact CE3-CB 4.01Å; W595-C602 HydrophobicContact CZ3-CB 4.22Å
603	F	89.1	Confident	79.5	Confident	57 Å²	57	59.6 Å²	59.6	25%	0.25	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	156.2	-179	74.4	-74	0	0	0	109.8	A594 H596 I601 W608 I621	A594-F603 PolarHBondContact N-O 3.3Å; A594-F603 WeakPolarHBondContact O-CD1 3.22Å; A594-F603 PolarHBondContact O-N 2.94Å; H596-F603 HydrophobicContact CB-CD1 3.82Å; H596-F603 HydrophobicContact CB-CE1 3.64Å; I601-F603 HydrophobicContact CD1-CB 4.45Å; F603-W608 HydrophobicContact CD2-CH2 4.1Å; F603-W608 HydrophobicContact CE1-CH2 4.02Å; F603-W608 AromaticContact CE2-CH2 3.39Å; F603-W608 HydrophobicContact CE2-CH2 3.39Å; F603-W608 AromaticContact CE2-CZ3 3.61Å; F603-W608 HydrophobicContact CE2-CZ3 3.61Å; F603-W608 AromaticContact CZ-CH2 3.36Å; F603-W608 HydrophobicContact CZ-CH2 3.36Å; F603-W608 AromaticContact CZ-CZ3 3.52Å; F603-W608 HydrophobicContact CZ-CZ3 3.52Å; F603-I621 HydrophobicContact CE1-CG1 4.35Å; F603-I621 HydrophobicContact CZ-CD1 3.95Å; F603-I621 HydrophobicContact CZ-CG1 4.11Å
604	G	86	Confident	77.6	Confident	22 Å²	22	64.9 Å²	64.9	23%	0.227	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	153	-178.1	0	0	0	0	0	113	F574 C576 Y592	F574-G604 VanDerWaalsContact CE2-CA 3.49Å; C576-G604 WeakPolarHBondContact SG-CA 3.47Å; Y592-G604 WeakPolarHBondContact O-CA 3.4Å
605	Q	84.8	Confident	76.2	Confident	50 Å²	50	67.3 Å²	67.3	23%	0.234	35%	0.346	C	S	.	.			trans	-146.2	144.8	174	-169.4	170.2	39.6	0	0	109.7	Y592 S607	Y592-Q605 WeakPolarHBondContact CB-O 3.05Å; Y592-Q605 WeakPolarHBondContact CD1-O 3.4Å; Y592-Q605 PolarHBondContact O-N 2.76Å; Q605-S607 VanDerWaalsContact C-N 3.31Å; Q605-S607 PolarHBondContact O-N 3.02Å
606	D	79.3	Confident	74.5	Confident	31 Å²	31	70.4 Å²	70.4	17%	0.166	38%	0.375	C	S	.	.	S	Bend	trans	-58.6	-40	-178	-59.6	-8.4	0	0	0	113	S557 A558 F574 Y592	S557-D606 WeakPolarHBondContact CA-OD2 3.03Å; A558-D606 PolarHBondContact N-OD2 2.8Å; F574-D606 WeakPolarHBondContact CE1-OD1 3.3Å; Y592-D606 WeakPolarHBondContact CD1-O 3.45Å; Y592-D606 WeakPolarHBondContact CE1-O 3.43Å
607	S	72.8	Confident	73	Confident	50 Å²	50	75.4 Å²	75.4	35%	0.35	40%	0.398	S	S	.	.	S	Bend	trans	-157.8	137.3	171.9	-176.1	0	0	0	0	110.5	T487 Q605 K609	T487-S607 PolarHBondContact N-OG 2.74Å; Q605-S607 VanDerWaalsContact C-N 3.31Å; Q605-S607 PolarHBondContact O-N 3.02Å; S607-K609 PolarHBondContact O-N 2.83Å
608	W	76.3	Confident	71.8	Confident	4 Å²	4	74.4 Å²	74.4	2%	0.015	39%	0.391	C	S	.	.			trans	-83.6	114.1	-174.1	-61.8	80.7	0	0	0	110.4	T487 A489 P591 Y592 A594 F603 L610 I621	T487-W608 WeakPolarHBondContact CG2-O 3.45Å; T487-W608 WeakPolarHBondContact O-CB 3.45Å; T487-W608 PolarHBondContact O-N 2.85Å; A489-W608 HydrophobicContact CB-CD2 4.22Å; A489-W608 HydrophobicContact CB-CZ2 4.47Å; P591-W608 PolarHBondContact O-NE1 2.81Å; Y592-W608 WeakPolarHBondContact O-CZ2 3.24Å; Y592-W608 PolarHBondContact O-NE1 2.92Å; A594-W608 HydrophobicContact CB-CH2 3.37Å; A594-W608 HydrophobicContact CB-CZ2 3.35Å; A594-W608 HydrophobicContact CB-CZ3 4.29Å; F603-W608 HydrophobicContact CD2-CH2 4.1Å; F603-W608 HydrophobicContact CE1-CH2 4.02Å; F603-W608 AromaticContact CE2-CH2 3.39Å; F603-W608 HydrophobicContact CE2-CH2 3.39Å; F603-W608 AromaticContact CE2-CZ3 3.61Å; F603-W608 HydrophobicContact CE2-CZ3 3.61Å; F603-W608 AromaticContact CZ-CH2 3.36Å; F603-W608 HydrophobicContact CZ-CH2 3.36Å; F603-W608 AromaticContact CZ-CZ3 3.52Å; F603-W608 HydrophobicContact CZ-CZ3 3.52Å; W608-L610 PolarHBondContact O-N 2.91Å; W608-I621 HydrophobicContact CE3-CD1 4.26Å; W608-I621 HydrophobicContact CZ3-CD1 3.65Å
609	K	71.8	Confident	70.6	Confident	130 Å²	130	75.4 Å²	75.4	57%	0.565	40%	0.396	S	S	*	.			trans	-72.3	123.6	-177.4	-66.3	-173.9	-179.7	-176.6	0	111.7	S607 S611 Q612 H613	S607-K609 PolarHBondContact O-N 2.83Å; K609-S611 PolarHBondContact O-N 3.27Å; K609-S611 VanDerWaalsContact O-N 3.17Å; K609-Q612 HydrophobicContact CB-CB 4.42Å; K609-Q612 HydrophobicContact CB-CG 4.09Å; K609-Q612 WeakPolarHBondContact O-CB 3.02Å; K609-Q612 PolarHBondContact O-N 2.67Å; K609-H613 PolarHBondContact O-CD2 2.72Å; K609-H613 PolarHBondContact O-N 3.39Å
610	L	62	Low	69.7	Low	104 Å²	104	71.5 Å²	71.5	55%	0.545	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-51.5	-39.5	175.6	-96.5	106.5	0	0	0	113.5	T487 W608 Q612 H613	T487-L610 HydrophobicContact CG2-CD1 4.24Å; W608-L610 PolarHBondContact O-N 2.91Å; L610-Q612 PolarHBondContact O-N 2.99Å; L610-H613 WeakPolarHBondContact O-CB 3.38Å; L610-H613 PolarHBondContact O-N 2.83Å; L610-H613 VanDerWaalsContact O-N 3.16Å
611	S	57.3	Low	68.9	Low	105 Å²	105	64.6 Å²	64.6	73%	0.734	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-66.5	-22.8	179.3	57.9	0	0	0	0	113.9	K609	K609-S611 PolarHBondContact O-N 3.27Å; K609-S611 VanDerWaalsContact O-N 3.17Å
612	Q	55.3	Low	68	Low	78 Å²	78	62 Å²	62	36%	0.364	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-83.1	-24.2	176	-66.3	-177.2	-8	0	0	111.7	K609 L610 D614 S615 N618	K609-Q612 HydrophobicContact CB-CB 4.42Å; K609-Q612 HydrophobicContact CB-CG 4.09Å; K609-Q612 WeakPolarHBondContact O-CB 3.02Å; K609-Q612 PolarHBondContact O-N 2.67Å; L610-Q612 PolarHBondContact O-N 2.99Å; Q612-D614 PolarHBondContact O-N 2.76Å; Q612-D614 VanDerWaalsContact O-N 3.12Å; Q612-S615 WeakPolarHBondContact O-CB 3.32Å; Q612-S615 PolarHBondContact O-N 3.2Å; Q612-N618 WeakPolarHBondContact CB-ND2 3.47Å; Q612-N618 WeakPolarHBondContact O-CB 3.49Å; Q612-N618 PolarHBondContact O-ND2 3.24Å
613	H	54.3	Low	67	Low	10 Å²	10	66.4 Å²	66.4	5%	0.046	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-24.5	-177	-84.1	-80.3	0	0	0	114.8	A489 K609 L610 N618	A489-H613 PolarHBondContact O-CE1 2.91Å; K609-H613 PolarHBondContact O-CD2 2.72Å; K609-H613 PolarHBondContact O-N 3.39Å; L610-H613 WeakPolarHBondContact O-CB 3.38Å; L610-H613 PolarHBondContact O-N 2.83Å; L610-H613 VanDerWaalsContact O-N 3.16Å; H613-N618 PolarHBondContact N-ND2 3.06Å
614	D	52.5	Low	66.3	Low	123 Å²	123	65.3 Å²	65.3	66%	0.658	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-3.1	178.5	-72.4	-17.4	0	0	0	113.5	R491 Q612	R491-D614 IonicContact NH2-OD1 3.74Å; R491-D614 PolarHBondContact NH2-OD1 3.3Å; R491-D614 VanDerWaalsContact NH2-OD1 3.15Å; Q612-D614 PolarHBondContact O-N 2.76Å; Q612-D614 VanDerWaalsContact O-N 3.12Å
615	S	59.5	Low	65.9	Low	52 Å²	52	67.5 Å²	67.5	36%	0.364	36%	0.362	S	S	.	.	S	Bend	trans	-62.6	141.4	169.2	172.2	0	0	0	0	110.8	Q612 E617 N618 K619	Q612-S615 WeakPolarHBondContact O-CB 3.32Å; Q612-S615 PolarHBondContact O-N 3.2Å; S615-E617 PolarHBondContact O-N 3.17Å; S615-E617 VanDerWaalsContact O-N 3.1Å; S615-E617 PolarHBondContact OG-N 3.09Å; S615-N618 PolarHBondContact O-N 3.35Å; S615-K619 PolarHBondContact O-N 2.02Å
616	A	54.3	Low	65.7	Low	80 Å²	80	73.4 Å²	73.4	66%	0.661	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-24.6	174.9	0	0	0	0	0	113.1
617	E	56.3	Low	65.8	Low	119 Å²	119	75.7 Å²	75.7	56%	0.556	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-40	171.9	-80.6	-171.1	131.2	0	0	112.8	S615 K619 M620	S615-E617 PolarHBondContact O-N 3.17Å; S615-E617 VanDerWaalsContact O-N 3.1Å; S615-E617 PolarHBondContact OG-N 3.09Å; E617-K619 VanDerWaalsContact C-N 3.32Å; E617-K619 PolarHBondContact O-N 2.92Å; E617-M620 VanDerWaalsContact O-CB 3.29Å; E617-M620 WeakPolarHBondContact O-CB 3.33Å; E617-M620 PolarHBondContact O-N 2.78Å
618	N	57.3	Low	66.4	Low	27 Å²	27	73.5 Å²	73.5	14%	0.144	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-74	-21.1	-178.9	-85.2	18.1	0	0	0	113.5	Q612 H613 S615 M620 I621	Q612-N618 WeakPolarHBondContact CB-ND2 3.47Å; Q612-N618 WeakPolarHBondContact O-CB 3.49Å; Q612-N618 PolarHBondContact O-ND2 3.24Å; H613-N618 PolarHBondContact N-ND2 3.06Å; S615-N618 PolarHBondContact O-N 3.35Å; N618-M620 PolarHBondContact O-N 2.86Å; N618-I621 HydrophobicContact CB-CD1 3.95Å; N618-I621 VanDerWaalsContact CG-CD1 3.45Å; N618-I621 WeakPolarHBondContact O-CB 3.34Å; N618-I621 PolarHBondContact O-N 3.29Å; N618-I621 VanDerWaalsContact OD1-CD1 3.23Å; N618-I621 WeakPolarHBondContact OD1-CD1 3.41Å
619	K	59.5	Low	66.4	Low	172 Å²	172	77.6 Å²	77.6	75%	0.748	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-59.1	-14.4	165.9	-77.1	-172.8	178	178.7	0	113.2	S615 E617	S615-K619 PolarHBondContact O-N 2.02Å; E617-K619 VanDerWaalsContact C-N 3.32Å; E617-K619 PolarHBondContact O-N 2.92Å
620	M	65.9	Low	65.9	Low	45 Å²	45	78.2 Å²	78.2	22%	0.222	43%	0.425	C	S	.	.	G	3₁₀ helix	trans	-97.7	10.2	177.6	-45.2	-157.7	93.4	0	0	112.9	V597 K598 E617 N618	V597-M620 HydrophobicContact CB-CB 4.36Å; V597-M620 WeakPolarHBondContact CB-O 3.43Å; V597-M620 VanDerWaalsContact CG2-O 3.23Å; V597-M620 WeakPolarHBondContact CG2-O 3.47Å; V597-M620 PolarHBondContact N-O 2.96Å; K598-M620 HydrophobicContact CB-SD 4.09Å; K598-M620 HydrophobicContact CD-CE 3.78Å; K598-M620 HydrophobicContact CD-SD 3.16Å; K598-M620 WeakPolarHBondContact CD-SD 3.45Å; K598-M620 VanDerWaalsContact CE-CE 3.44Å; K598-M620 WeakPolarHBondContact CE-SD 3.5Å; K598-M620 HydrophobicContact CG-CE 3.53Å; K598-M620 HydrophobicContact CG-SD 3.4Å; K598-M620 WeakPolarHBondContact CG-SD 3.41Å; K598-M620 PolarHBondContact NZ-SD 2.79Å; E617-M620 VanDerWaalsContact O-CB 3.29Å; E617-M620 WeakPolarHBondContact O-CB 3.33Å; E617-M620 PolarHBondContact O-N 2.78Å; N618-M620 PolarHBondContact O-N 2.86Å
621	I	72.5	Confident	65.5	Low	11 Å²	11	76 Å²	76	6%	0.056	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	120.8	172.4	-60.4	169.8	0	0	0	107.7	A489 A594 W595 F603 W608 N618	A489-I621 HydrophobicContact CB-CG2 4.17Å; A594-I621 HydrophobicContact CB-CG2 3.43Å; A594-I621 VanDerWaalsContact CB-CG2 3.43Å; W595-I621 WeakPolarHBondContact O-CA 3.3Å; F603-I621 HydrophobicContact CE1-CG1 4.35Å; F603-I621 HydrophobicContact CZ-CD1 3.95Å; F603-I621 HydrophobicContact CZ-CG1 4.11Å; W608-I621 HydrophobicContact CE3-CD1 4.26Å; W608-I621 HydrophobicContact CZ3-CD1 3.65Å; N618-I621 HydrophobicContact CB-CD1 3.95Å; N618-I621 VanDerWaalsContact CG-CD1 3.45Å; N618-I621 WeakPolarHBondContact O-CB 3.34Å; N618-I621 PolarHBondContact O-N 3.29Å; N618-I621 VanDerWaalsContact OD1-CD1 3.23Å; N618-I621 WeakPolarHBondContact OD1-CD1 3.41Å
622	L	71.2	Confident	64.7	Low	24 Å²	24	82.7 Å²	82.7	13%	0.126	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	137.9	175.5	-65	179.6	0	0	0	110.6	C582 L586 W595 V597 D627	C582-L622 WeakPolarHBondContact SG-CD1 3.06Å; L586-L622 HydrophobicContact CD1-CB 4.09Å; W595-L622 HydrophobicContact CB-CB 4.38Å; W595-L622 PolarHBondContact O-N 3.33Å; V597-L622 HydrophobicContact CG2-CD1 3.76Å; V597-L622 HydrophobicContact CG2-CD2 3.73Å; V597-L622 HydrophobicContact CG2-CG 3.4Å; V597-L622 VanDerWaalsContact CG2-CG 3.4Å; L622-D627 HydrophobicContact CD1-CB 4.48Å; L622-D627 VanDerWaalsContact CD1-O 3.31Å; L622-D627 WeakPolarHBondContact CD1-O 3.24Å; L622-D627 HydrophobicContact CD2-CB 3.62Å; L622-D627 HydrophobicContact CG-CB 4.48Å
623	Q	69.1	Low	64	Low	101 Å²	101	87 Å²	87	47%	0.472	46%	0.462	S	S	.	.			trans	-110	-24.9	-178.1	-61.3	174.1	-5.8	0	0	112.1	A489	A489-Q623 VanDerWaalsContact O-CD 3.23Å; A489-Q623 WeakPolarHBondContact O-CG 3.32Å; A489-Q623 PolarHBondContact O-NE2 2.98Å
624	A	74.4	Confident	63.1	Low	33 Å²	33	98.1 Å²	98.1	27%	0.273	50%	0.504	S	S	.	.	S	Bend	trans	-130.1	143.1	-177.3	0	0	0	0	0	112.3	L586 K626 D627	L586-A624 WeakPolarHBondContact CD1-O 3.24Å; A624-K626 HydrophobicContact CB-CG 3.97Å; A624-K626 PolarHBondContact O-N 3.26Å; A624-K626 VanDerWaalsContact O-N 3.14Å; A624-D627 WeakPolarHBondContact O-CB 3.39Å; A624-D627 PolarHBondContact O-N 3.33Å
625	K	77.9	Confident	62.2	Low	69 Å²	69	95.7 Å²	95.7	30%	0.3	51%	0.507	S	S	.	.	G	3₁₀ helix	trans	-54.2	-35.5	-178.9	-66.7	-179.1	-175.2	176.2	0	113.5	W583 L586 N587 D627 C628	W583-K625 HydrophobicContact CE3-CB 4.14Å; W583-K625 HydrophobicContact CE3-CD 4.45Å; W583-K625 HydrophobicContact CE3-CG 4.48Å; W583-K625 HydrophobicContact CH2-CB 4.12Å; W583-K625 HydrophobicContact CZ3-CB 3.68Å; W583-K625 HydrophobicContact CZ3-CD 4.22Å; W583-K625 HydrophobicContact CZ3-CG 4.34Å; L586-K625 HydrophobicContact CB-CG 3.84Å; L586-K625 WeakPolarHBondContact O-CE 3.36Å; N587-K625 PolarHBondContact OD1-NZ 2.86Å; K625-D627 PolarHBondContact O-N 3.2Å; K625-C628 WeakPolarHBondContact O-CB 3.49Å; K625-C628 PolarHBondContact O-N 2.85Å; K625-C628 VanDerWaalsContact O-N 3.14Å
626	K	79.6	Confident	60.9	Low	173 Å²	173	98.8 Å²	98.8	75%	0.752	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-61.8	-21.8	179.3	62.4	174.1	-174.4	178.3	0	113.6	A624 C628	A624-K626 HydrophobicContact CB-CG 3.97Å; A624-K626 PolarHBondContact O-N 3.26Å; A624-K626 VanDerWaalsContact O-N 3.14Å; K626-C628 VanDerWaalsContact C-N 3.34Å
627	D	82.1	Confident	60	Low	80 Å²	80	100.8 Å²	100.8	43%	0.428	53%	0.531	S	S	.	.	G	3₁₀ helix	trans	-91.3	-2.5	-177.4	-53	-41.5	0	0	0	111.7	L622 A624 K625	L622-D627 HydrophobicContact CD1-CB 4.48Å; L622-D627 VanDerWaalsContact CD1-O 3.31Å; L622-D627 WeakPolarHBondContact CD1-O 3.24Å; L622-D627 HydrophobicContact CD2-CB 3.62Å; L622-D627 HydrophobicContact CG-CB 4.48Å; A624-D627 WeakPolarHBondContact O-CB 3.39Å; A624-D627 PolarHBondContact O-N 3.33Å; K625-D627 PolarHBondContact O-N 3.2Å
628	C	84.7	Confident	58.9	Low	4 Å²	4	97.8 Å²	97.8	3%	0.027	53%	0.532	C	S	.	.	S	Bend	trans	-64.9	130.9	171.2	-74.1	0	0	0	0	110.1	C582 W583 K625 K626 T630	C582-C628 HydrophobicContact CB-CB 3.87Å; C582-C628 WeakPolarHBondContact CB-SG 3.25Å; C582-C628 PolarHBondContact O-SG 3.3Å; C582-C628 WeakPolarHBondContact SG-CA 3.45Å; C582-C628 WeakPolarHBondContact SG-CB 3.3Å; C582-C628 CovalentContact SG-SG 2.04Å; C582-C628 PolarHBondContact SG-SG 2.91Å; W583-C628 HydrophobicContact CD2-CB 4.41Å; W583-C628 HydrophobicContact CG-CB 4.32Å; K625-C628 WeakPolarHBondContact O-CB 3.49Å; K625-C628 PolarHBondContact O-N 2.85Å; K625-C628 VanDerWaalsContact O-N 3.14Å; K626-C628 VanDerWaalsContact C-N 3.34Å; C628-T630 PolarHBondContact O-N 3.22Å
629	P	76.7	Confident	57.7	Low	89 Å²	89	102.6 Å²	102.6	58%	0.578	56%	0.562	S	S	*	*			trans	-54.7	128.1	175.2	-21.7	30.5	0	0	0	110.1	G631	P629-G631 PolarHBondContact O-N 2.92Å
630	T	61.7	Low	56.4	Low	143 Å²	143	101.4 Å²	101.4	88%	0.877	56%	0.563	S	S	*	*			trans	-70.9	73.9	178.5	46.9	0	0	0	0	110.6	C628	C628-T630 PolarHBondContact O-N 3.22Å
631	G	52.5	Low	54.8	Low	59 Å²	59	103.6 Å²	103.6	61%	0.608	58%	0.579	S	S	*	*			trans	-114.9	84.8	166.9	0	0	0	0	0	108.2	P629 L633	P629-G631 PolarHBondContact O-N 2.92Å; G631-L633 VanDerWaalsContact C-N 3.29Å; G631-L633 PolarHBondContact O-N 2.96Å
632	R	40.7	Very low	52.7	Low	245 Å²	245	111.8 Å²	111.8	93%	0.925	61%	0.611	S	S	*	*			trans	-70	87.6	176.4	-158.1	-179.3	-163.3	-180	4.8	108.2	R634	R632-R634 PolarHBondContact O-N 2.68Å
633	L	42.3	Very low	50.7	Low	169 Å²	169	119.7 Å²	119.7	89%	0.885	64%	0.644	S	S	*	*			trans	-67.9	113	161.3	-76.5	168.2	0	0	0	106.7	G631 G635	G631-L633 VanDerWaalsContact C-N 3.29Å; G631-L633 PolarHBondContact O-N 2.96Å; L633-G635 PolarHBondContact O-N 2.82Å
634	R	34.7	Very low	49.1	Very low	243 Å²	243	116.7 Å²	116.7	92%	0.917	63%	0.631	S	S	*	*			trans	-58	119.7	171.8	-87.3	179.5	176.1	173.4	-1.5	108.7	R632	R632-R634 PolarHBondContact O-N 2.68Å
635	G	33.8	Very low	47.2	Very low	71 Å²	71	117.8 Å²	117.8	73%	0.732	64%	0.637	S	S	*	*			trans	69.3	73.9	150.2	0	0	0	0	0	115.8	L633	L633-G635 PolarHBondContact O-N 2.82Å
636	T	31.6	Very low	45.5	Very low	118 Å²	118	122.4 Å²	122.4	72%	0.724	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-92.8	130.5	134.2	40.1	0	0	0	0	106.6	G638	T636-G638 PolarHBondContact O-N 3.35Å
637	P	34.8	Very low	43.7	Very low	122 Å²	122	122.6 Å²	122.6	79%	0.792	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-57.3	118.2	168.2	-10.3	24.2	0	0	0	105.4	V639	P637-V639 PolarHBondContact O-N 2.04Å; P637-V639 VanDerWaalsContact O-N 3.07Å
638	G	33.6	Very low	41.9	Very low	56 Å²	56	120.8 Å²	120.8	58%	0.577	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-52.3	123.3	170.9	0	0	0	0	0	106.5	T636 D640	T636-G638 PolarHBondContact O-N 3.35Å; G638-D640 VanDerWaalsContact C-N 3.3Å; G638-D640 PolarHBondContact O-N 3.28Å
639	V	33.2	Very low	40.2	Very low	128 Å²	128	123.3 Å²	123.3	78%	0.776	66%	0.664	S	S	*	*			trans	-53	109.8	161	176.3	0	0	0	0	103.8	P637 T641	P637-V639 PolarHBondContact O-N 2.04Å; P637-V639 VanDerWaalsContact O-N 3.07Å; V639-T641 PolarHBondContact O-N 2.95Å
640	D	30.8	Very low	38.8	Very low	146 Å²	146	125.2 Å²	125.2	78%	0.781	67%	0.666	S	S	*	*			trans	-59.5	90.3	175.5	-79.9	-41	0	0	0	105.9	G638 Y642	G638-D640 VanDerWaalsContact C-N 3.3Å; G638-D640 PolarHBondContact O-N 3.28Å; D640-Y642 PolarHBondContact O-N 3.29Å
641	T	32.5	Very low	38	Very low	91 Å²	91	128.5 Å²	128.5	56%	0.558	66%	0.663	S	S	*	*			trans	-54	114.3	159.1	25.9	0	0	0	0	103.5	V639 K643	V639-T641 PolarHBondContact O-N 2.95Å; T641-K643 PolarHBondContact O-N 3.42Å
642	Y	28.8	Very low	37.3	Very low	183 Å²	183	127.4 Å²	127.4	72%	0.718	65%	0.646	S	S	*	*			trans	-49.4	89.6	-176	-68.4	-90.4	0	0	0	109.2	D640 L644	D640-Y642 PolarHBondContact O-N 3.29Å; Y642-L644 VanDerWaalsContact C-N 3.25Å; Y642-L644 PolarHBondContact O-N 2.93Å
643	K	30.1	Very low	36.9	Very low	191 Å²	191	118.1 Å²	118.1	83%	0.83	63%	0.626	S	S	*	*			trans	-69.1	100	163.8	-85.5	-175.9	177.5	175.8	0	103	T641 S645	T641-K643 PolarHBondContact O-N 3.42Å; K643-S645 PolarHBondContact O-N 3.29Å
644	L	34	Very low	36.3	Very low	37 Å²	37	115.1 Å²	115.1	19%	0.194	62%	0.62	C	S	.	*			trans	-43.1	120.5	158.1	-148.7	88.7	0	0	0	105.2	M470 L523 L526 Y642 Q646 D648	M470-L644 HydrophobicContact CE-CD2 3.48Å; M470-L644 VanDerWaalsContact CE-CD2 3.48Å; M470-L644 HydrophobicContact SD-CD2 4.23Å; L523-L644 HydrophobicContact CD2-CB 3.99Å; L526-L644 HydrophobicContact CD2-CD1 3.64Å; Y642-L644 VanDerWaalsContact C-N 3.25Å; Y642-L644 PolarHBondContact O-N 2.93Å; L644-Q646 PolarHBondContact O-N 3.16Å; L644-Q646 VanDerWaalsContact O-N 3.14Å; L644-D648 HydrophobicContact CD2-CB 3.52Å; L644-D648 HydrophobicContact CG-CB 3.97Å
645	S	34.3	Very low	36.1	Very low	57 Å²	57	109.6 Å²	109.6	40%	0.399	62%	0.615	S	S	.	*			trans	-47.4	129.9	-177.4	172.9	0	0	0	0	106.7	K643 K647 D648	K643-S645 PolarHBondContact O-N 3.29Å; S645-K647 PolarHBondContact O-N 2.92Å; S645-K647 WeakPolarHBondContact OG-CB 3.23Å; S645-K647 WeakPolarHBondContact OG-CG 3.33Å; S645-D648 WeakPolarHBondContact O-CB 3.39Å; S645-D648 PolarHBondContact O-N 3.06Å
646	Q	43.1	Very low	35.9	Very low	165 Å²	165	114.4 Å²	114.4	77%	0.771	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-54.5	-14.4	-178.7	-158.8	172.4	4	0	0	112.2	L644 D648 L649	L644-Q646 PolarHBondContact O-N 3.16Å; L644-Q646 VanDerWaalsContact O-N 3.14Å; Q646-D648 VanDerWaalsContact C-N 3.29Å; Q646-D648 PolarHBondContact O-N 3.4Å; Q646-L649 PolarHBondContact O-N 2.88Å
647	K	41.2	Very low	35.8	Very low	177 Å²	177	117 Å²	117	77%	0.77	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-63.2	-24	170.2	-59.2	-178.2	179.9	179.3	0	114.7	S645	S645-K647 PolarHBondContact O-N 2.92Å; S645-K647 WeakPolarHBondContact OG-CB 3.23Å; S645-K647 WeakPolarHBondContact OG-CG 3.33Å
648	D	44.8	Very low	35.5	Very low	43 Å²	43	115.1 Å²	115.1	23%	0.23	63%	0.631	C	S	.	*	G	3₁₀ helix	trans	-89.4	-11.5	-177.9	-61.2	-30.5	0	0	0	112.5	L471 L644 S645 Q646	L471-D648 PolarHBondContact N-O 3.35Å; L644-D648 HydrophobicContact CD2-CB 3.52Å; L644-D648 HydrophobicContact CG-CB 3.97Å; S645-D648 WeakPolarHBondContact O-CB 3.39Å; S645-D648 PolarHBondContact O-N 3.06Å; Q646-D648 VanDerWaalsContact C-N 3.29Å; Q646-D648 PolarHBondContact O-N 3.4Å
649	L	48.2	Very low	35.1	Very low	56 Å²	56	121.7 Å²	121.7	29%	0.293	65%	0.649	S	S	.	*	B	Isolated β-bridge	trans	-111.5	109.3	-179	-158.1	82.9	0	0	0	110.1	L468 Q646 R651	L468-L649 HydrophobicContact CD1-CD1 3.56Å; Q646-L649 PolarHBondContact O-N 2.88Å; L649-R651 PolarHBondContact O-N 3.47Å
650	M	49.3	Very low	34.8	Very low	129 Å²	129	120.6 Å²	120.6	64%	0.635	65%	0.647	S	S	*	*			trans	-75.2	116.9	173.6	-75.8	-91.2	-91.7	0	0	109.2	V469 S652	V469-M650 HydrophobicContact CG1-CB 4.4Å; M650-S652 PolarHBondContact O-N 3.26Å
651	R	43	Very low	34.6	Very low	212 Å²	212	118.9 Å²	118.9	80%	0.8	65%	0.646	S	S	*	*			trans	-74.2	112	174.1	-163.8	176	-173.5	-175.1	-1.4	108.3	L649 G653	L649-R651 PolarHBondContact O-N 3.47Å; R651-G653 PolarHBondContact O-N 3.04Å
652	S	38	Very low	34.6	Very low	36 Å²	36	122.3 Å²	122.3	25%	0.252	66%	0.66	S	S	.	*			trans	-75.3	113.7	169.7	81.2	0	0	0	0	108.4	S465 M650	S465-S652 VanDerWaalsContact CB-OG 3.29Å; S465-S652 WeakPolarHBondContact CB-OG 3.45Å; S465-S652 PolarHBondContact OG-OG 3.28Å; M650-S652 PolarHBondContact O-N 3.26Å
653	G	32.3	Very low	34.7	Very low	50 Å²	50	120.6 Å²	120.6	52%	0.515	66%	0.663	S	S	.	*			trans	-172.1	132.1	170.9	0	0	0	0	0	109.7	R651	R651-G653 PolarHBondContact O-N 3.04Å
654	S	30.2	Very low	34.7	Very low	107 Å²	107	118.5 Å²	118.5	75%	0.748	66%	0.661	S	S	*	*			trans	-72.7	137.3	174.6	56.8	0	0	0	0	110.7	E656	S654-E656 PolarHBondContact O-N 2.69Å
655	P	30.4	Very low	34.5	Very low	127 Å²	127	124.6 Å²	124.6	83%	0.825	69%	0.694	S	S	*	*			trans	-90.4	86.2	173.1	33.9	-27.5	0	0	0	109.8
656	E	29.9	Very low	34.3	Very low	172 Å²	172	131.3 Å²	131.3	80%	0.804	72%	0.719	S	S	*	*			trans	-132.8	135.6	159.1	-69.1	-163.6	161.8	0	0	109.2	S654	S654-E656 PolarHBondContact O-N 2.69Å
657	D	28.4	Very low	33.5	Very low	173 Å²	173	128 Å²	128	93%	0.925	72%	0.721	S	S	*	*	S	Bend	trans	87.7	101.9	178.1	-57	-26.7	0	0	0	118.7
658	G	29.3	Very low	32.9	Very low	82 Å²	82	129 Å²	129	85%	0.845	73%	0.728	S	S	*	*			trans	151.8	44.6	159.3	0	0	0	0	0	118.3	S660	G658-S660 PolarHBondContact O-N 3.38Å
659	M	24.7	Very low	32.1	Very low	193 Å²	193	131.4 Å²	131.4	95%	0.951	75%	0.754	S	S	*	*			trans	-81.9	103.4	165.3	-178.6	93.4	103.3	0	0	109.7
660	S	27.3	Very low	31.2	Very low	106 Å²	106	135.4 Å²	135.4	74%	0.741	78%	0.78	S	S	*	*			trans	-171.5	128.8	144.4	57.3	0	0	0	0	113.2	G658	G658-S660 PolarHBondContact O-N 3.38Å
661	S	27.5	Very low	30.1	Very low	109 Å²	109	139.4 Å²	139.4	76%	0.762	79%	0.794	S	S	*	*			trans	65.8	102.8	157.6	70.9	0	0	0	0	118.9
662	L	32.1	Very low	29.4	Very low	164 Å²	164	138.2 Å²	138.2	86%	0.859	80%	0.797	S	S	*	*			trans	-160.4	109.5	130.3	-100.9	154.4	0	0	0	110.1
663	N	31.3	Very low	29.1	Very low	146 Å²	146	141.9 Å²	141.9	78%	0.781	81%	0.814	S	S	*	*			trans	27.2	124.3	153.6	-59.1	-16.4	0	0	0	121.5	D665	N663-D665 PolarHBondContact O-N 3.06Å; N663-D665 VanDerWaalsContact O-N 3.15Å
664	N	29	Very low	29.1	Very low	147 Å²	147	145.2 Å²	145.2	79%	0.786	83%	0.829	S	S	*	*	S	Bend	trans	-51.4	107.2	156.5	-61.1	-34.2	0	0	0	109.7
665	D	30.8	Very low	29.6	Very low	165 Å²	165	148 Å²	148	88%	0.882	82%	0.824	S	S	*	*	S	Bend	trans	-172.8	12.7	149.4	-86.7	-26.8	0	0	0	113.3	N663	N663-D665 PolarHBondContact O-N 3.06Å; N663-D665 VanDerWaalsContact O-N 3.15Å
666	E	30.3	Very low	30.1	Very low	198 Å²	198	147.1 Å²	147.1	93%	0.925	82%	0.818	S	S	*	*			trans	-137.4	43	173.8	-100.4	-178.1	147.3	0	0	112
667	A	26.4	Very low	30.8	Very low	97 Å²	97	144.5 Å²	144.5	80%	0.802	81%	0.806	S	S	*	*			trans	-102.4	47.7	176.7	0	0	0	0	0	112.1
668	E	27.8	Very low	31.7	Very low	196 Å²	196	143.6 Å²	143.6	92%	0.916	79%	0.79	S	S	*	*	S	Bend	trans	-158.4	41.5	173.2	-127.6	175.9	-156.1	0	0	113.8
669	A	27.3	Very low	32.5	Very low	94 Å²	94	147.3 Å²	147.3	78%	0.777	78%	0.784	S	S	*	*	S	Bend	trans	-156.7	22.3	175.8	0	0	0	0	0	117.4
670	V	30.3	Very low	33.9	Very low	140 Å²	140	141.7 Å²	141.7	85%	0.848	77%	0.768	S	S	*	*			trans	-148.2	75.5	167.6	-169.8	0	0	0	0	110.3
671	K	26.1	Very low	35.3	Very low	214 Å²	214	141.4 Å²	141.4	93%	0.93	76%	0.757	S	S	*	*			trans	-141.8	59.2	168	-110.3	-176.2	-176.5	176.1	0	110.3
672	Q	28.2	Very low	36.7	Very low	186 Å²	186	137.8 Å²	137.8	87%	0.869	74%	0.737	S	S	*	*			trans	-160.7	126.1	167.1	-105.2	164.9	-26.8	0	0	103.2
673	D	32	Very low	38.4	Very low	114 Å²	114	135.1 Å²	135.1	61%	0.61	72%	0.722	S	S	*	*			cis	-168.3	128.2	22.9	-179.3	15.8	0	0	0	106.2
674	S	32.5	Very low	40.3	Very low	119 Å²	119	131.4 Å²	131.4	83%	0.832	71%	0.706	S	S	*	*			trans	178.2	65.8	162.1	32.1	0	0	0	0	108.5
675	R	40.3	Very low	42.6	Very low	166 Å²	166	128.6 Å²	128.6	63%	0.626	69%	0.69	S	S	*	*			trans	-84.2	134.9	162.5	-71.7	-165.5	-170.3	-168.4	5.6	109.2	E677 Y678	R675-E677 HydrophobicContact CB-CB 4.43Å; R675-E677 IonicContact NH1-OE1 3.89Å; R675-E677 PolarHBondContact O-N 2.71Å; R675-Y678 PolarHBondContact O-N 2.8Å
676	P	39.6	Very low	44.8	Very low	108 Å²	108	124.9 Å²	124.9	70%	0.701	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	0.8	175	25.5	-31.8	0	0	0	114.1	Y678	P676-Y678 VanDerWaalsContact C-N 3.33Å; P676-Y678 PolarHBondContact O-N 3.17Å
677	E	45.1	Very low	47.2	Very low	117 Å²	117	122.5 Å²	122.5	55%	0.547	66%	0.661	S	S	.	*	H	α-helix	trans	-72.3	-20.9	178.1	-63.8	175.3	-151.2	0	0	113.3	R675	R675-E677 HydrophobicContact CB-CB 4.43Å; R675-E677 IonicContact NH1-OE1 3.89Å; R675-E677 PolarHBondContact O-N 2.71Å
678	Y	47.6	Very low	50.1	Low	154 Å²	154	122.2 Å²	122.2	60%	0.604	65%	0.649	S	S	*	*	H	α-helix	trans	-74.4	-26	178.6	-70	-74.3	0	0	0	113.9	R675 P676 G682	R675-Y678 PolarHBondContact O-N 2.8Å; P676-Y678 VanDerWaalsContact C-N 3.33Å; P676-Y678 PolarHBondContact O-N 3.17Å; Y678-G682 PolarHBondContact O-N 3.08Å
679	F	46.4	Very low	52.9	Low	161 Å²	161	117.3 Å²	117.3	71%	0.706	63%	0.628	S	S	*	*	H	α-helix	trans	-76.5	-29.8	177	-75.7	-76.7	0	0	0	112.9	I681	F679-I681 VanDerWaalsContact C-N 3.27Å; F679-I681 PolarHBondContact O-N 3.41Å
680	A	53.1	Low	55.7	Low	75 Å²	75	115.7 Å²	115.7	62%	0.62	62%	0.615	S	S	*	*	H	α-helix	trans	-70.6	-23.6	176.2	0	0	0	0	0	112.8	P684	A680-P684 VanDerWaalsContact O-CD 3.28Å; A680-P684 WeakPolarHBondContact O-CD 3.15Å; A680-P684 WeakPolarHBondContact O-CG 3.24Å
681	I	56.9	Low	58.4	Low	99 Å²	99	112.6 Å²	112.6	51%	0.508	60%	0.599	S	S	.	*	H	α-helix	trans	-100.2	-33.2	-177.3	-58.7	173.7	0	0	0	111.7	F679 P684 I685	F679-I681 VanDerWaalsContact C-N 3.27Å; F679-I681 PolarHBondContact O-N 3.41Å; I681-P684 WeakPolarHBondContact O-CD 3.32Å; I681-P684 WeakPolarHBondContact O-CG 3.27Å; I681-I685 HydrophobicContact CG2-CD1 3.53Å; I681-I685 HydrophobicContact CG2-CG1 4.33Å; I681-I685 VanDerWaalsContact O-CG1 3.26Å; I681-I685 WeakPolarHBondContact O-CG1 3.45Å; I681-I685 PolarHBondContact O-N 3Å
682	G	56.9	Low	61.5	Low	33 Å²	33	106 Å²	106	34%	0.34	58%	0.577	S	S	.	*	H	α-helix	trans	-69.8	-35.8	-177.5	0	0	0	0	0	115.4	Y678 T686	Y678-G682 PolarHBondContact O-N 3.08Å; G682-T686 WeakPolarHBondContact O-CG2 3.37Å; G682-T686 PolarHBondContact O-N 3.15Å; G682-T686 VanDerWaalsContact O-N 3.07Å; G682-T686 PolarHBondContact O-OG1 3.05Å
683	I	67.6	Low	64.5	Low	108 Å²	108	101.9 Å²	101.9	55%	0.554	56%	0.559	S	S	*	*	H	α-helix	trans	-67.3	-46.6	179.4	-60.9	175	0	0	0	112.3	T686 F687	I683-T686 PolarHBondContact O-OG1 2.91Å; I683-F687 PolarHBondContact O-N 3.41Å
684	P	71.6	Confident	67.1	Low	68 Å²	68	98.6 Å²	98.6	44%	0.442	55%	0.553	S	S	.	*	H	α-helix	trans	-67.7	-36.8	175.6	20.4	-28.7	0	0	0	112.8	A680 I681 T686 F687 V688	A680-P684 VanDerWaalsContact O-CD 3.28Å; A680-P684 WeakPolarHBondContact O-CD 3.15Å; A680-P684 WeakPolarHBondContact O-CG 3.24Å; I681-P684 WeakPolarHBondContact O-CD 3.32Å; I681-P684 WeakPolarHBondContact O-CG 3.27Å; P684-T686 PolarHBondContact O-N 3.16Å; P684-F687 PolarHBondContact O-N 3.15Å; P684-V688 VanDerWaalsContact O-CG2 3.29Å; P684-V688 WeakPolarHBondContact O-CG2 3.45Å; P684-V688 PolarHBondContact O-N 3.29Å
685	I	77.9	Confident	69.9	Low	88 Å²	88	99.7 Å²	99.7	45%	0.451	54%	0.543	S	S	.	.	H	α-helix	trans	-64.3	-42.4	179	-69.1	175.3	0	0	0	111.5	I681 F687 V688 I689	I681-I685 HydrophobicContact CG2-CD1 3.53Å; I681-I685 HydrophobicContact CG2-CG1 4.33Å; I681-I685 VanDerWaalsContact O-CG1 3.26Å; I681-I685 WeakPolarHBondContact O-CG1 3.45Å; I681-I685 PolarHBondContact O-N 3Å; I685-F687 VanDerWaalsContact C-N 3.35Å; I685-F687 PolarHBondContact O-N 3.06Å; I685-V688 PolarHBondContact O-N 3.37Å; I685-I689 HydrophobicContact CG2-CD1 3.71Å; I685-I689 HydrophobicContact CG2-CG1 4.34Å; I685-I689 VanDerWaalsContact O-CG1 3.32Å; I685-I689 WeakPolarHBondContact O-CG1 3.4Å; I685-I689 PolarHBondContact O-N 2.59Å
686	T	77.1	Confident	72.2	Confident	88 Å²	88	96.9 Å²	96.9	54%	0.54	54%	0.539	S	S	.	.	H	α-helix	trans	-64.9	-38.2	177.5	47.1	0	0	0	0	112.1	G682 I683 P684 I689 A690	G682-T686 WeakPolarHBondContact O-CG2 3.37Å; G682-T686 PolarHBondContact O-N 3.15Å; G682-T686 VanDerWaalsContact O-N 3.07Å; G682-T686 PolarHBondContact O-OG1 3.05Å; I683-T686 PolarHBondContact O-OG1 2.91Å; P684-T686 PolarHBondContact O-N 3.16Å; T686-I689 PolarHBondContact O-N 3.35Å; T686-A690 WeakPolarHBondContact O-CB 3.27Å; T686-A690 PolarHBondContact O-N 3.12Å
687	F	81.3	Confident	74.4	Confident	148 Å²	148	96 Å²	96	65%	0.649	53%	0.531	S	S	*	.	H	α-helix	trans	-64.2	-40.3	173.1	-107.4	-88.4	0	0	0	113	I683 P684 I685 S691	I683-F687 PolarHBondContact O-N 3.41Å; P684-F687 PolarHBondContact O-N 3.15Å; I685-F687 VanDerWaalsContact C-N 3.35Å; I685-F687 PolarHBondContact O-N 3.06Å; F687-S691 VanDerWaalsContact O-CB 3.3Å; F687-S691 WeakPolarHBondContact O-CB 3.14Å; F687-S691 PolarHBondContact O-N 3.37Å; F687-S691 PolarHBondContact O-OG 2.77Å
688	V	85.5	Confident	76.3	Confident	91 Å²	91	92.3 Å²	92.3	55%	0.552	53%	0.525	S	S	*	.	H	α-helix	trans	-65.9	-46.5	176.8	172	0	0	0	0	110.7	P684 I685 A690 S691 V692	P684-V688 VanDerWaalsContact O-CG2 3.29Å; P684-V688 WeakPolarHBondContact O-CG2 3.45Å; P684-V688 PolarHBondContact O-N 3.29Å; I685-V688 PolarHBondContact O-N 3.37Å; V688-A690 PolarHBondContact O-N 3.07Å; V688-S691 PolarHBondContact O-N 3.14Å; V688-V692 HydrophobicContact CG1-CG2 4.41Å; V688-V692 VanDerWaalsContact O-CG2 3.31Å; V688-V692 WeakPolarHBondContact O-CG2 3.33Å; V688-V692 PolarHBondContact O-N 2.87Å
689	I	87.1	Confident	78	Confident	92 Å²	92	91.1 Å²	91.1	47%	0.472	52%	0.52	S	S	.	.	H	α-helix	trans	-62.1	-46.3	178.8	-66.6	168.8	0	0	0	110.8	I685 T686 S691 V692 I693	I685-I689 HydrophobicContact CG2-CD1 3.71Å; I685-I689 HydrophobicContact CG2-CG1 4.34Å; I685-I689 VanDerWaalsContact O-CG1 3.32Å; I685-I689 WeakPolarHBondContact O-CG1 3.4Å; I685-I689 PolarHBondContact O-N 2.59Å; T686-I689 PolarHBondContact O-N 3.35Å; I689-S691 VanDerWaalsContact C-N 3.31Å; I689-S691 PolarHBondContact O-N 2.61Å; I689-V692 PolarHBondContact O-N 2.88Å; I689-I693 HydrophobicContact CG2-CD1 3.77Å; I689-I693 WeakPolarHBondContact O-CG1 3.13Å; I689-I693 HydrophobicContact CG2-CG1 4.43Å; I689-I693 PolarHBondContact O-N 2.97Å
690	A	85.9	Confident	79.4	Confident	61 Å²	61	85.6 Å²	85.6	50%	0.504	51%	0.508	S	S	.	.	H	α-helix	trans	-61.6	-39.3	177.8	0	0	0	0	0	112.1	T686 V688 G694	T686-A690 WeakPolarHBondContact O-CB 3.27Å; T686-A690 PolarHBondContact O-N 3.12Å; V688-A690 PolarHBondContact O-N 3.07Å; A690-G694 PolarHBondContact O-N 2.88Å
691	S	88.3	Confident	80.4	Confident	74 Å²	74	86 Å²	86	52%	0.517	51%	0.506	S	S	.	.	H	α-helix	trans	-68.5	-39.7	178	-59.4	0	0	0	0	112.3	F687 V688 I689 G694 F695	F687-S691 VanDerWaalsContact O-CB 3.3Å; F687-S691 WeakPolarHBondContact O-CB 3.14Å; F687-S691 PolarHBondContact O-N 3.37Å; F687-S691 PolarHBondContact O-OG 2.77Å; V688-S691 PolarHBondContact O-N 3.14Å; I689-S691 VanDerWaalsContact C-N 3.31Å; I689-S691 PolarHBondContact O-N 2.61Å; S691-G694 PolarHBondContact O-N 3.31Å; S691-F695 WeakPolarHBondContact O-CB 3.2Å; S691-F695 PolarHBondContact O-N 2.86Å
692	V	91.4	Very high	81.1	Confident	77 Å²	77	86.6 Å²	86.6	47%	0.467	51%	0.506	S	S	.	.	H	α-helix	trans	-66.9	-44.5	176.5	171.4	0	0	0	0	110.8	V688 I689 G694 F695 I696	V688-V692 HydrophobicContact CG1-CG2 4.41Å; V688-V692 VanDerWaalsContact O-CG2 3.31Å; V688-V692 WeakPolarHBondContact O-CG2 3.33Å; V688-V692 PolarHBondContact O-N 2.87Å; I689-V692 PolarHBondContact O-N 2.88Å; V692-G694 PolarHBondContact O-N 3.17Å; V692-F695 PolarHBondContact O-N 3.3Å; V692-I696 HydrophobicContact CG1-CG1 4.48Å; V692-I696 PolarHBondContact O-N 2.96Å; V692-I696 WeakPolarHBondContact O-CG1 3.34Å; V692-I696 VanDerWaalsContact O-CG1 3.32Å; V692-I696 HydrophobicContact CG1-CD1 3.85Å
693	I	90.1	Very high	81.6	Confident	98 Å²	98	89.1 Å²	89.1	50%	0.503	51%	0.512	S	S	.	.	H	α-helix	trans	-62.2	-45.4	176.1	-66.3	170.4	0	0	0	110.2	I689 F695 I696 V697	I689-I693 HydrophobicContact CG2-CD1 3.77Å; I689-I693 WeakPolarHBondContact O-CG1 3.13Å; I689-I693 HydrophobicContact CG2-CG1 4.43Å; I689-I693 PolarHBondContact O-N 2.97Å; I693-F695 VanDerWaalsContact C-N 3.3Å; I693-F695 PolarHBondContact O-N 3.4Å; I693-I696 PolarHBondContact O-N 2.78Å; I693-V697 HydrophobicContact CG2-CG2 4.37Å; I693-V697 PolarHBondContact O-N 2.95Å; I693-V697 WeakPolarHBondContact O-CG2 3.38Å
694	G	87.5	Confident	81	Confident	46 Å²	46	85.8 Å²	85.8	47%	0.474	50%	0.503	S	S	.	.	H	α-helix	trans	-58.5	-40.6	175.5	0	0	0	0	0	112.9	A690 S691 V692 G698	A690-G694 PolarHBondContact O-N 2.88Å; S691-G694 PolarHBondContact O-N 3.31Å; V692-G694 PolarHBondContact O-N 3.17Å; G694-G698 PolarHBondContact O-N 3.46Å
695	F	91.4	Very high	80.2	Confident	141 Å²	141	90.2 Å²	90.2	62%	0.618	52%	0.516	S	S	*	.	H	α-helix	trans	-66.8	-43.8	175.8	-172.4	-93.9	0	0	0	112.2	S691 V692 I693 G698 Y699	S691-F695 WeakPolarHBondContact O-CB 3.2Å; S691-F695 PolarHBondContact O-N 2.86Å; V692-F695 PolarHBondContact O-N 3.3Å; I693-F695 VanDerWaalsContact C-N 3.3Å; I693-F695 PolarHBondContact O-N 3.4Å; F695-G698 PolarHBondContact O-N 2.68Å; F695-Y699 WeakPolarHBondContact O-CB 3.5Å; F695-Y699 PolarHBondContact O-N 3.38Å
696	I	88.5	Confident	79	Confident	107 Å²	107	90.7 Å²	90.7	55%	0.549	52%	0.52	S	S	.	.	H	α-helix	trans	-63	-45.7	178.5	-68.3	167.1	0	0	0	110.8	V692 I693 Y699 G700	V692-I696 HydrophobicContact CG1-CG1 4.48Å; V692-I696 PolarHBondContact O-N 2.96Å; V692-I696 WeakPolarHBondContact O-CG1 3.34Å; V692-I696 VanDerWaalsContact O-CG1 3.32Å; V692-I696 HydrophobicContact CG1-CD1 3.85Å; I693-I696 PolarHBondContact O-N 2.78Å; I696-Y699 PolarHBondContact O-N 2.64Å; I696-G700 PolarHBondContact O-N 3.36Å
697	V	86.2	Confident	77.8	Confident	90 Å²	90	92 Å²	92	55%	0.545	53%	0.528	S	S	.	.	H	α-helix	trans	-64.6	-45	178	175	0	0	0	0	110.6	I693 Y699 G700 C701	I693-V697 HydrophobicContact CG2-CG2 4.37Å; I693-V697 PolarHBondContact O-N 2.95Å; I693-V697 WeakPolarHBondContact O-CG2 3.38Å; V697-Y699 PolarHBondContact O-N 3.48Å; V697-G700 PolarHBondContact O-N 3.02Å; V697-C701 PolarHBondContact O-N 3.21Å
698	G	83.9	Confident	76.1	Confident	40 Å²	40	96 Å²	96	41%	0.412	54%	0.538	S	S	.	.	H	α-helix	trans	-61.4	-42.4	176	0	0	0	0	0	113	G694 F695 C701 H702	G694-G698 PolarHBondContact O-N 3.46Å; F695-G698 PolarHBondContact O-N 2.68Å; G698-C701 PolarHBondContact O-N 3.25Å; G698-H702 WeakPolarHBondContact O-CB 3.1Å; G698-H702 PolarHBondContact O-N 3.19Å
699	Y	82.8	Confident	74	Confident	129 Å²	129	100 Å²	100	51%	0.506	55%	0.548	S	S	.	.	H	α-helix	trans	-68.3	-38.4	178.5	-167.6	-108	0	0	0	111.8	F695 I696 V697 H702 L703	F695-Y699 WeakPolarHBondContact O-CB 3.5Å; F695-Y699 PolarHBondContact O-N 3.38Å; I696-Y699 PolarHBondContact O-N 2.64Å; V697-Y699 PolarHBondContact O-N 3.48Å; Y699-H702 PolarHBondContact O-N 2.94Å; Y699-L703 HydrophobicContact CD1-CG 4.41Å; Y699-L703 HydrophobicContact CD1-CD1 3.52Å; Y699-L703 PolarHBondContact O-N 3.02Å; Y699-L703 HydrophobicContact CG-CD1 4.38Å; Y699-L703 HydrophobicContact CE1-CG 4.13Å; Y699-L703 HydrophobicContact CE1-CD1 3.26Å
700	G	76.5	Confident	71.6	Confident	44 Å²	44	104.4 Å²	104.4	45%	0.454	56%	0.564	S	S	.	*	H	α-helix	trans	-61.7	-43.3	172	0	0	0	0	0	112.7	I696 V697 H702 L703 G704	I696-G700 PolarHBondContact O-N 3.36Å; V697-G700 PolarHBondContact O-N 3.02Å; G700-H702 VanDerWaalsContact C-N 3.32Å; G700-H702 PolarHBondContact O-N 2.88Å; G700-L703 PolarHBondContact O-N 2.95Å; G700-G704 PolarHBondContact O-N 3.12Å
701	C	73.6	Confident	69.3	Low	84 Å²	84	109.1 Å²	109.1	57%	0.568	58%	0.581	S	S	*	*	H	α-helix	trans	-66.8	-32.2	173.8	-74.1	0	0	0	0	113	V697 G698 K705	V697-C701 PolarHBondContact O-N 3.21Å; G698-C701 PolarHBondContact O-N 3.25Å; C701-K705 PolarHBondContact O-N 3.39Å
702	H	71.6	Confident	66.8	Low	111 Å²	111	113.6 Å²	113.6	51%	0.514	60%	0.598	S	S	.	*	H	α-helix	trans	-71	-43.8	176.4	-172.7	75.1	0	0	0	111.9	G698 Y699 G700 G704 K705 N706	G698-H702 WeakPolarHBondContact O-CB 3.1Å; G698-H702 PolarHBondContact O-N 3.19Å; Y699-H702 PolarHBondContact O-N 2.94Å; G700-H702 VanDerWaalsContact C-N 3.32Å; G700-H702 PolarHBondContact O-N 2.88Å; H702-G704 VanDerWaalsContact C-N 3.34Å; H702-G704 PolarHBondContact O-N 2.7Å; H702-K705 PolarHBondContact O-N 2.62Å; H702-N706 PolarHBondContact O-N 3.35Å
703	L	67.7	Low	64.4	Low	87 Å²	87	115.8 Å²	115.8	46%	0.455	61%	0.614	S	S	.	*	H	α-helix	trans	-64.1	-37.1	174.9	-79.5	162.7	0	0	0	112.3	Y699 G700 K705 N706 T707	Y699-L703 HydrophobicContact CD1-CG 4.41Å; Y699-L703 HydrophobicContact CD1-CD1 3.52Å; Y699-L703 PolarHBondContact O-N 3.02Å; Y699-L703 HydrophobicContact CG-CD1 4.38Å; Y699-L703 HydrophobicContact CE1-CG 4.13Å; Y699-L703 HydrophobicContact CE1-CD1 3.26Å; G700-L703 PolarHBondContact O-N 2.95Å; L703-K705 PolarHBondContact O-N 3.31Å; L703-N706 PolarHBondContact O-N 2.89Å; L703-N706 VanDerWaalsContact O-N 3.16Å; L703-T707 PolarHBondContact O-N 2.89Å; L703-T707 PolarHBondContact O-OG1 2.91Å
704	G	55.4	Low	61.7	Low	37 Å²	37	119.5 Å²	119.5	38%	0.381	63%	0.629	S	S	.	*	H	α-helix	trans	-65.4	-18.8	174.6	0	0	0	0	0	114.8	G700 H702	G700-G704 PolarHBondContact O-N 3.12Å; H702-G704 VanDerWaalsContact C-N 3.34Å; H702-G704 PolarHBondContact O-N 2.7Å
705	K	55.5	Low	59.3	Low	161 Å²	161	124.8 Å²	124.8	70%	0.7	65%	0.647	S	S	*	*	H	α-helix	trans	-88.3	-19.3	174.1	-75.6	-178.9	178.4	177.5	0	113.3	C701 H702 L703	C701-K705 PolarHBondContact O-N 3.39Å; H702-K705 PolarHBondContact O-N 2.62Å; L703-K705 PolarHBondContact O-N 3.31Å
706	N	51.7	Low	56.6	Low	99 Å²	99	126 Å²	126	53%	0.529	65%	0.651	S	S	.	*	H	α-helix	trans	-86.4	-17.2	176.6	-85.1	-16.6	0	0	0	113.9	H702 L703	H702-N706 PolarHBondContact O-N 3.35Å; L703-N706 PolarHBondContact O-N 2.89Å; L703-N706 VanDerWaalsContact O-N 3.16Å
707	T	51.9	Low	54	Low	116 Å²	116	126.7 Å²	126.7	71%	0.712	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-7.7	172.6	32.7	0	0	0	0	114.5	L703	L703-T707 PolarHBondContact O-N 2.89Å; L703-T707 PolarHBondContact O-OG1 2.91Å
708	R	46.2	Very low	51.5	Low	230 Å²	230	128 Å²	128	87%	0.868	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	13	171.8	-78.8	-166.6	-169.8	-173.1	4.3	115
709	K	40.9	Very low	49.1	Very low	177 Å²	177	132.1 Å²	132.1	77%	0.77	69%	0.687	S	S	*	*	S	Bend	trans	-102.6	9.9	175.7	-89.2	-173.4	176.3	-179.5	0	115.1
710	K	37.2	Very low	46.5	Very low	184 Å²	184	135.5 Å²	135.5	80%	0.8	70%	0.704	S	S	*	*	S	Bend	trans	-120.9	100.5	170	-68.9	-176.1	-180	-179.5	0	108.4
711	N	36.6	Very low	44.7	Very low	159 Å²	159	139.2 Å²	139.2	85%	0.85	72%	0.72	S	S	*	*			trans	140.7	78.4	162.7	-70.2	-16.3	0	0	0	110.3
712	L	36.5	Very low	42.6	Very low	169 Å²	169	138.6 Å²	138.6	89%	0.885	73%	0.728	S	S	*	*			trans	-138	114.7	158.9	-148.3	86.5	0	0	0	106.8
713	P	39.9	Very low	40.8	Very low	123 Å²	123	141 Å²	141	80%	0.799	74%	0.74	S	S	*	*			trans	-91.9	134.6	163.5	25.8	-14.5	0	0	0	110.5
714	E	34.6	Very low	39.1	Very low	176 Å²	176	144.8 Å²	144.8	82%	0.822	76%	0.755	S	S	*	*			trans	-60.3	141.2	171.6	-64	171.8	120.7	0	0	112.1
715	N	37	Very low	37.9	Very low	157 Å²	157	147.4 Å²	147.4	84%	0.84	77%	0.767	S	S	*	*				-166	154.2	113.6	-119.8	-27.8	0	0	0	115
716	K	35.1	Very low	36.8	Very low	166 Å²	166	145.7 Å²	145.7	72%	0.722	77%	0.77	S	S	*	*			trans	-85.9	156.8	-160.1	-66.3	167.2	164.3	166.5	0	115.3
717	T	32.9	Very low	35.9	Very low	122 Å²	122	148.7 Å²	148.7	75%	0.748	79%	0.785	S	S	*	*			trans	49.5	134.3	139	54	0	0	0	0	118.5
718	T	34.3	Very low	35	Very low	116 Å²	116	146.6 Å²	146.6	71%	0.712	78%	0.78	S	S	*	*			cis	-180	152	40.5	-8.6	0	0	0	0	109.3
719	T	33.2	Very low	34.4	Very low	128 Å²	128	144.1 Å²	144.1	79%	0.785	78%	0.783	S	S	*	*			trans	61.9	112.4	150.1	44.3	0	0	0	0	123.5
720	K	28.9	Very low	34	Very low	199 Å²	199	138.9 Å²	138.9	87%	0.865	78%	0.779	S	S	*	*			trans	1.6	169.9	138.4	-75.8	-174	-179.6	-179.7	0	120.8
721	P	37.2	Very low	34.5	Very low	122 Å²	122	135.3 Å²	135.3	79%	0.792	78%	0.775	S	S	*	*			cis	-140.4	170.2	-31.7	37.2	-18.8	0	0	0	115
722	G	29.7	Very low	34.4	Very low	71 Å²	71	137.5 Å²	137.5	73%	0.732	77%	0.772	S	S	*	*			trans	101.1	111.4	139.5	0	0	0	0	0	121.1
723	Q	33.8	Very low	34.4	Very low	163 Å²	163	136.3 Å²	136.3	76%	0.762	77%	0.767	S	S	*	*				99.3	118.8	123.5	-151.7	161.8	-4.9	0	0	121
724	Q	31.9	Very low	34.1	Very low	165 Å²	165	135.6 Å²	135.6	77%	0.771	76%	0.76	S	S	*	*			trans	65.2	146.9	145.5	-76.1	170.3	-10.5	0	0	118.3
725	S	31.8	Very low	34.2	Very low	93 Å²	93	133.9 Å²	133.9	65%	0.65	76%	0.762	S	S	*	*			cis	175.6	151.4	2.5	47.6	0	0	0	0	109.1
726	V	31.6	Very low	34	Very low	124 Å²	124	129.6 Å²	129.6	75%	0.752	76%	0.755	S	S	*	*			trans	73.2	126.8	138.1	174.7	0	0	0	0	117.3
727	L	32.4	Very low	33.9	Very low	163 Å²	163	130.9 Å²	130.9	85%	0.853	76%	0.761	S	S	*	*				-165.9	167.9	67.9	-92	107.6	0	0	0	108.8
728	A	32.4	Very low	33.8	Very low	72 Å²	72	132.7 Å²	132.7	60%	0.595	76%	0.758	S	S	*	*			cis	171.7	162.7	-24.4	0	0	0	0	0	108.5
729	L	34.9	Very low	33.5	Very low	178 Å²	178	137.5 Å²	137.5	93%	0.932	76%	0.763	S	S	*	*			trans	87.7	125.8	159.1	-50.8	170.4	0	0	0	117.5
730	G	32.8	Very low	33.3	Very low	67 Å²	67	137.3 Å²	137.3	69%	0.691	76%	0.761	S	S	*	*			cis	158.7	-172.1	5.1	0	0	0	0	0	110.1
731	P	47.7	Very low	33.2	Very low	109 Å²	109	133.5 Å²	133.5	71%	0.708	76%	0.755	S	S	*	*				-147.3	-173.2	-57.7	28.2	-4.3	0	0	0	117.5
732	Y	34.6	Very low	32.8	Very low	204 Å²	204	136.6 Å²	136.6	80%	0.8	76%	0.761	S	S	*	*			trans	80.7	136.2	162.2	-61.5	-74.7	0	0	0	120.2
733	N	35.6	Very low	32.6	Very low	145 Å²	145	142 Å²	142	78%	0.775	76%	0.764	S	S	*	*			cis	-149.1	153.5	28.4	-138.9	-5.6	0	0	0	115.6
734	T	33.7	Very low	32.2	Very low	107 Å²	107	140.5 Å²	140.5	66%	0.656	76%	0.761	S	S	*	*			trans	-92.8	153.2	-171.3	44.7	0	0	0	0	113.9
735	T	36.7	Very low	31.8	Very low	141 Å²	141	137.5 Å²	137.5	87%	0.865	76%	0.757	S	S	*	*				171.4	145	93	40.2	0	0	0	0	108.1
736	G	33.4	Very low	31.4	Very low	67 Å²	67	141 Å²	141	69%	0.691	76%	0.763	S	S	*	*			cis	-173.2	154.8	-2.2	0	0	0	0	0	113.6
737	K	32.5	Very low	31.2	Very low	192 Å²	192	145.8 Å²	145.8	84%	0.835	77%	0.769	S	S	*	*			trans	61.6	135.1	145.2	-62.4	177.6	180	170.7	0	118.9
738	K	30.5	Very low	30.9	Very low	160 Å²	160	144.2 Å²	144.2	70%	0.696	77%	0.766	S	S	*	*			cis	-170.9	130	-0.7	-117.4	177.9	-178.3	-175.5	0	106.9
739	R	27.8	Very low	30.6	Very low	218 Å²	218	148 Å²	148	82%	0.823	77%	0.773	S	S	*	*				64.4	132.9	116.9	-90.6	-173	-163.6	-173.4	3.6	116.5
740	V	29.9	Very low	30.2	Very low	123 Å²	123	145.2 Å²	145.2	75%	0.745	77%	0.766	S	S	*	*			cis	-161.5	119.5	46.4	175.7	0	0	0	0	108.2
741	V	26	Very low	30.1	Very low	120 Å²	120	148.3 Å²	148.3	73%	0.727	77%	0.771	S	S	*	*				56.8	109.8	94.6	-168.6	0	0	0	0	117.4
742	M	28.5	Very low	29	Very low	187 Å²	187	149.8 Å²	149.8	92%	0.921	78%	0.778	S	S	*	*				-176.3	139.6	109.1	-99.9	-160.8	175.8	0	0	114.8
743	K	25.7	Very low	28.8	Very low	185 Å²	185	146.7 Å²	146.7	80%	0.804	78%	0.78	S	S	*	*			trans	-49.7	166	163.6	-76.9	174.7	174.6	179.5	0	113.9
744	N	26.4	Very low	28.4	Very low	130 Å²	130	142 Å²	142	70%	0.695	77%	0.766	S	S	*	*			cis	-172.2	157.2	21.8	-120.1	2.2	0	0	0	111.2
745	C	23.7	Very low	27.9	Very low	102 Å²	102	146 Å²	146	69%	0.689	78%	0.78	S	S	*	*			trans	71	113.2	141.3	-64.2	0	0	0	0	123.8
746	H	23.3	Very low	27.6	Very low	168 Å²	168	149.7 Å²	149.7	78%	0.778	78%	0.779	S	S	*	*			trans	33.1	120.7	131.6	-75.9	-82.9	0	0	0	120.7
747	Y	27	Very low	27.3	Very low	224 Å²	224	154 Å²	154	88%	0.878	79%	0.786	S	S	*	*				-155.8	129.3	123	-105.9	-80.7	0	0	0	109.7
748	V	24.7	Very low	27.2	Very low	129 Å²	129	151.4 Å²	151.4	78%	0.782	79%	0.787	S	S	*	*			trans	-87.8	122.2	171.2	172.8	0	0	0	0	107.4
749	M	26.7	Very low	27.1	Very low	152 Å²	152	149.7 Å²	149.7	75%	0.749	79%	0.79	S	S	*	*			trans	-141.7	139.5	163.7	-79.9	-67.2	174.2	0	0	108.4	T751	M749-T751 PolarHBondContact O-N 2.76Å
750	P	27.3	Very low	27.4	Very low	119 Å²	119	144.9 Å²	144.9	77%	0.773	79%	0.786	S	S	*	*			trans	-81.4	114.4	179.5	32.1	-28.9	0	0	0	109.3	V752	P750-V752 PolarHBondContact O-N 2.96Å
751	T	29.4	Very low	27.3	Very low	132 Å²	132	150.7 Å²	150.7	81%	0.81	80%	0.795	S	S	*	*			trans	-83.1	114.8	173.9	23.6	0	0	0	0	110.8	M749 V753	M749-T751 PolarHBondContact O-N 2.76Å; T751-V753 PolarHBondContact O-N 2.95Å
752	V	25.2	Very low	27.4	Very low	140 Å²	140	153.1 Å²	153.1	85%	0.848	80%	0.803	S	S	*	*			trans	-53.4	114.7	159.9	176.7	0	0	0	0	108.7	P750 G754	P750-V752 PolarHBondContact O-N 2.96Å; V752-G754 PolarHBondContact O-N 3.25Å
753	V	29.9	Very low	27.4	Very low	139 Å²	139	148.8 Å²	148.8	84%	0.842	79%	0.791	S	S	*	*			trans	-77.3	108.6	171.9	178.4	0	0	0	0	108.1	T751	T751-V753 PolarHBondContact O-N 2.95Å
754	G	27.1	Very low	27.5	Very low	46 Å²	46	149.2 Å²	149.2	47%	0.474	80%	0.796	S	S	.	*			trans	-71.9	133.7	169.5	0	0	0	0	0	111.1	V752 Y756	V752-G754 PolarHBondContact O-N 3.25Å; G754-Y756 PolarHBondContact O-N 2.76Å
755	M	24.9	Very low	27.6	Very low	193 Å²	193	148.5 Å²	148.5	95%	0.951	80%	0.796	S	S	*	*			trans	-61	118.9	162.3	-72.6	169.9	129.5	0	0	108.8
756	Y	30	Very low	27.8	Very low	218 Å²	218	152.9 Å²	152.9	86%	0.855	81%	0.809	S	S	*	*			trans	-122.6	122.3	160.7	-80.3	-77.7	0	0	0	108.9	G754	G754-Y756 PolarHBondContact O-N 2.76Å
757	D	26.7	Very low	28.1	Very low	157 Å²	157	152.9 Å²	152.9	84%	0.84	81%	0.813	S	S	*	*			trans	-54.9	129.5	172.6	-70.6	-53.1	0	0	0	111.4
758	T	31.2	Very low	28.3	Very low	138 Å²	138	153.5 Å²	153.5	85%	0.847	81%	0.814	S	S	*	*			trans	-101.3	94.4	160.5	43.7	0	0	0	0	109
759	V	28.6	Very low	28.5	Very low	124 Å²	124	159.4 Å²	159.4	75%	0.752	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-76.5	125.5	162.5	177.5	0	0	0	0	108
760	P	32.3	Very low	28.5	Very low	116 Å²	116	157.6 Å²	157.6	75%	0.753	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-72.2	132.2	168.8	-12.4	27.8	0	0	0	110.1	L762	P760-L762 PolarHBondContact O-N 2.68Å
761	R	28.3	Very low	28.7	Very low	245 Å²	245	160.4 Å²	160.4	93%	0.925	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-50.5	117.6	174.3	-72.6	174.8	170.8	179.8	-3.3	111.4	S763	R761-S763 PolarHBondContact O-N 3.24Å
762	L	28.9	Very low	28.8	Very low	171 Å²	171	161 Å²	161	90%	0.895	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-62.3	126.7	153.8	-86.6	156.2	0	0	0	108.9	P760 Q764	P760-L762 PolarHBondContact O-N 2.68Å; L762-Q764 PolarHBondContact O-N 3.43Å
763	S	28.6	Very low	29.1	Very low	97 Å²	97	163 Å²	163	68%	0.678	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-48.5	129.3	172.4	164.9	0	0	0	0	111.9	R761 T765	R761-S763 PolarHBondContact O-N 3.24Å; S763-T765 PolarHBondContact O-N 3.19Å; S763-T765 PolarHBondContact OG-OG1 3.46Å
764	Q	26.9	Very low	29.1	Very low	193 Å²	193	160.4 Å²	160.4	90%	0.902	82%	0.82	S	S	*	*			trans	-72.8	97.1	168.9	-73.3	177.6	-23	0	0	110.3	L762	L762-Q764 PolarHBondContact O-N 3.43Å
765	T	29.2	Very low	29.4	Very low	115 Å²	115	166.1 Å²	166.1	71%	0.706	84%	0.839	S	S	*	*			trans	-151.9	87.6	160.5	24.8	0	0	0	0	109.8	S763	S763-T765 PolarHBondContact O-N 3.19Å; S763-T765 PolarHBondContact OG-OG1 3.46Å
766	M	27.9	Very low	29.6	Very low	194 Å²	194	160.1 Å²	160.1	96%	0.956	83%	0.827	S	S	*	*			trans	158.8	83.3	139.7	-87.3	-161.2	-126.9	0	0	110
767	I	29.3	Very low	29.8	Very low	169 Å²	169	157.7 Å²	157.7	87%	0.867	83%	0.827	S	S	*	*			trans	-101.7	103.6	153.4	-64.6	174	0	0	0	105.8
768	R	30.6	Very low	30	Very low	236 Å²	236	161.1 Å²	161.1	89%	0.891	83%	0.828	S	S	*	*			trans	177.7	91.4	144.9	-102.1	-179.1	-173.7	-167.2	3	110.1
769	R	29.1	Very low	30	Very low	254 Å²	254	160.8 Å²	160.8	96%	0.958	83%	0.829	S	S	*	*			trans	170.8	94.7	130.4	-97.8	176.8	172	170.2	-1.7	109
770	S	27	Very low	30.2	Very low	113 Å²	113	162.4 Å²	162.4	79%	0.79	83%	0.832	S	S	*	*			trans	-97.4	123.4	151.1	50.1	0	0	0	0	106.5
771	E	31.8	Very low	30	Very low	179 Å²	179	163 Å²	163	84%	0.836	83%	0.834	S	S	*	*			trans	-170.5	125.7	144.9	-105.1	178.4	-177.2	0	0	110.4
772	L	30.9	Very low	29.9	Very low	144 Å²	144	154.6 Å²	154.6	75%	0.754	82%	0.824	S	S	*	*			trans	46.7	118.5	156.4	-68.3	106.3	0	0	0	120.3
773	M	32.3	Very low	29.9	Very low	183 Å²	183	152 Å²	152	90%	0.901	82%	0.819	S	S	*	*				-171.4	119.2	106	-90.2	-64.2	-160.9	0	0	109.2
774	A	29.5	Very low	30	Very low	83 Å²	83	154.6 Å²	154.6	69%	0.686	83%	0.825	S	S	*	*			trans	-77.9	137.8	165.1	0	0	0	0	0	109.8
775	N	34.3	Very low	29.9	Very low	166 Å²	166	152 Å²	152	89%	0.888	82%	0.822	S	S	*	*				174.7	148.3	119.7	-89.4	-28.3	0	0	0	112.1
776	G	27.8	Very low	30	Very low	67 Å²	67	154.8 Å²	154.8	69%	0.691	83%	0.832	S	S	*	*			trans	-72.5	166.2	-160.6	0	0	0	0	0	116.4
777	I	34.8	Very low	30.1	Very low	167 Å²	167	150.7 Å²	150.7	86%	0.856	82%	0.82	S	S	*	*			trans	-147.6	122.8	135.7	-84.3	133.1	0	0	0	108.3
778	R	30.7	Very low	29.9	Very low	229 Å²	229	152.4 Å²	152.4	86%	0.864	82%	0.821	S	S	*	*			trans	2.7	141.2	161.2	-54.4	177.9	-172.7	-152.2	0	120.6
779	P	31.6	Very low	30.1	Very low	131 Å²	131	146.5 Å²	146.5	85%	0.851	81%	0.814	S	S	*	*			trans	-110.6	131.9	151.9	34.7	-22.5	0	0	0	112.4
780	L	32.7	Very low	29.9	Very low	158 Å²	158	143 Å²	143	83%	0.827	81%	0.808	S	S	*	*			trans	-92.4	118.4	164.8	-83	165	0	0	0	109.5
781	T	28.5	Very low	29.9	Very low	129 Å²	129	145.5 Å²	145.5	79%	0.791	81%	0.812	S	S	*	*			trans	45.1	120.8	137.8	57.6	0	0	0	0	120.9
782	G	25.6	Very low	29.7	Very low	69 Å²	69	142.3 Å²	142.3	71%	0.711	80%	0.804	S	S	*	*				120.3	101.2	126.6	0	0	0	0	0	116.3
783	C	28.9	Very low	29.4	Very low	116 Å²	116	145 Å²	145	78%	0.784	81%	0.81	S	S	*	*				171.2	125.6	119.4	-88.2	0	0	0	0	112.9
784	N	30.8	Very low	29.2	Very low	151 Å²	151	144 Å²	144	81%	0.807	80%	0.801	S	S	*	*			trans	62.2	91.3	136.6	-57.7	-18.9	0	0	0	119.6
785	T	25.1	Very low	28.9	Very low	139 Å²	139	146 Å²	146	85%	0.853	80%	0.804	S	S	*	*			trans	-66.8	121.6	150.2	47.8	0	0	0	0	111.6
786	L	29.8	Very low	28.8	Very low	173 Å²	173	147.4 Å²	147.4	91%	0.906	80%	0.798	S	S	*	*			trans	-141.8	149.1	152.2	-89.5	172.2	0	0	0	109.9
787	P	30.8	Very low	29.2	Very low	109 Å²	109	154.3 Å²	154.3	71%	0.708	83%	0.826	S	S	*	*			trans	-101.4	159	-149.2	38	-32.6	0	0	0	114.5
788	K	25.3	Very low	29	Very low	204 Å²	204	153.7 Å²	153.7	89%	0.887	83%	0.825	S	S	*	*			trans	-44.9	135.9	167.8	-65.6	172.6	177.2	176.5	0	112.6
789	P	34.1	Very low	28.9	Very low	113 Å²	113	149.7 Å²	149.7	73%	0.734	82%	0.823	S	S	*	*			trans	-106.8	123.5	150	27.9	-15.3	0	0	0	110.5
790	Q	25	Very low	28.7	Very low	181 Å²	181	150.8 Å²	150.8	85%	0.846	82%	0.821	S	S	*	*			trans	-65.3	136.9	161.5	-66	-160	-16.6	0	0	110.1
791	L	28.4	Very low	28.5	Very low	165 Å²	165	150.4 Å²	150.4	86%	0.864	82%	0.821	S	S	*	*			trans	-130.6	88	164.8	-97.1	157.3	0	0	0	110.2
792	V	27.6	Very low	28.5	Very low	112 Å²	112	151.7 Å²	151.7	68%	0.679	82%	0.823	S	S	*	*			trans	12.1	114.6	134.5	-174.4	0	0	0	0	116.5	K794	V792-K794 PolarHBondContact O-N 3.48Å
793	K	23.7	Very low	28.7	Very low	200 Å²	200	157.2 Å²	157.2	87%	0.87	83%	0.83	S	S	*	*			trans	-60.4	123.4	155.7	-86.8	177.3	171.3	177.4	0	109.9
794	K	27.2	Very low	28.7	Very low	163 Å²	163	160.1 Å²	160.1	71%	0.709	83%	0.833	S	S	*	*			trans	-125.3	108.6	150.9	-91.2	-172.4	177	-177.5	0	108.3	V792 Y796	V792-K794 PolarHBondContact O-N 3.48Å; K794-Y796 HydrophobicContact CD-CE2 4.29Å
795	V	23.9	Very low	28.5	Very low	125 Å²	125	160.8 Å²	160.8	76%	0.758	84%	0.835	S	S	*	*			trans	-91.1	125.4	162.8	175	0	0	0	0	105.5
796	Y	31.9	Very low	28.8	Very low	195 Å²	195	162.7 Å²	162.7	77%	0.765	83%	0.834	S	S	*	*			trans	-100	135	158.3	-79.3	-82.1	0	0	0	107.7	K794	K794-Y796 HydrophobicContact CD-CE2 4.29Å
797	V	37.6	Very low	28.7	Very low	212 Å²	212	161.7 Å²	161.7	100%	1.285	83%	0.827	S	S	*	*			trans	-58.9	0	-176.2	176.3	0	0	0	0	112.1

Retrieved 797 of 797 residues in 247.8 ms (Link to these results)

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