A0A087XWQ7_POEFO Loading...

WSC domain containing 2

AlphaFold DB , UniProt , Accession A0A087XWQ7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 568 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	44.6	Very low	44.5	Very low	249 Å²	249	161.5 Å²	161.5	100%	1.227	77%	0.771	S	S	*	*				0	108.8	0	-71.4	-179.3	-89.2	0	0	109.3
2	A	42.2	Very low	44.8	Very low	93 Å²	93	160.3 Å²	160.3	77%	0.769	76%	0.76	S	S	*	*			trans	-139.4	92.8	-176.2	0	0	0	0	0	111.4
3	K	47	Very low	45.2	Very low	201 Å²	201	156.5 Å²	156.5	87%	0.874	76%	0.759	S	S	*	*			trans	-131.7	-3.4	174.5	-83	-172.9	175.6	176.5	0	118.1
4	P	41	Very low	45.5	Very low	98 Å²	98	161.4 Å²	161.4	64%	0.636	77%	0.766	S	S	*	*	S	Bend	trans	-88.4	-35.4	177.7	32.6	-32.4	0	0	0	114.8	L6 R7	P4-L6 PolarHBondContact O-N 3.49Å; P4-R7 PolarHBondContact O-N 3.37Å
5	L	46.3	Very low	45.6	Very low	141 Å²	141	162.1 Å²	162.1	74%	0.738	76%	0.764	S	S	*	*	H	α-helix	trans	-64.8	-32.6	-168.4	-82.8	159.3	0	0	0	114.6	R7 I8	L5-R7 VanDerWaalsContact C-N 3.27Å; L5-R7 PolarHBondContact O-N 3.11Å; L5-I8 PolarHBondContact O-N 2.97Å
6	L	46.1	Very low	45.7	Very low	128 Å²	128	158 Å²	158	67%	0.67	76%	0.756	S	S	*	*	H	α-helix	trans	-70.9	-13.6	-178.5	-81	162.4	0	0	0	114.7	P4	P4-L6 PolarHBondContact O-N 3.49Å
7	R	43.3	Very low	46.1	Very low	220 Å²	220	155.2 Å²	155.2	83%	0.83	75%	0.751	S	S	*	*	H	α-helix	trans	-83.6	-29.5	175.3	-92.1	-173.3	171.6	-177.2	-2	113.5	P4 L5	P4-R7 PolarHBondContact O-N 3.37Å; L5-R7 VanDerWaalsContact C-N 3.27Å; L5-R7 PolarHBondContact O-N 3.11Å
8	I	46.8	Very low	46.4	Very low	104 Å²	104	157.1 Å²	157.1	53%	0.533	75%	0.749	S	S	.	*	H	α-helix	trans	-72.9	-43.4	-178.6	-62.9	176	0	0	0	110.4	L5 R10 Y11 F12	L5-I8 PolarHBondContact O-N 2.97Å; I8-R10 VanDerWaalsContact C-N 3.25Å; I8-R10 PolarHBondContact O-N 3.34Å; I8-Y11 WeakPolarHBondContact O-CB 3.35Å; I8-Y11 PolarHBondContact O-N 3.41Å; I8-F12 HydrophobicContact CG2-CD2 4.23Å; I8-F12 HydrophobicContact CG2-CE2 3.93Å
9	Q	45.8	Very low	46.8	Very low	137 Å²	137	155.6 Å²	155.6	64%	0.64	74%	0.739	S	S	*	*	H	α-helix	trans	-61.9	-29.7	-177	-158.4	173.3	7.9	0	0	113.4
10	R	44.4	Very low	47.1	Very low	213 Å²	213	155.6 Å²	155.6	80%	0.804	74%	0.736	S	S	*	*	H	α-helix	trans	-77.1	-15.6	175.7	-71.9	-173.9	178.6	177.3	0.9	114.5	I8	I8-R10 VanDerWaalsContact C-N 3.25Å; I8-R10 PolarHBondContact O-N 3.34Å
11	Y	42.4	Very low	47.6	Very low	193 Å²	193	151 Å²	151	76%	0.757	72%	0.721	S	S	*	*	H	α-helix	trans	-78.8	-32.6	176.6	-158.7	-94.4	0	0	0	112	I8 C13	I8-Y11 WeakPolarHBondContact O-CB 3.35Å; I8-Y11 PolarHBondContact O-N 3.41Å; Y11-C13 PolarHBondContact O-N 3.24Å
12	F	47.6	Very low	48.2	Very low	147 Å²	147	144.8 Å²	144.8	65%	0.645	69%	0.692	S	S	*	*	H	α-helix	trans	-74.5	-20.3	-176.2	-82.7	-83.8	0	0	0	115	I8 R14	I8-F12 HydrophobicContact CG2-CD2 4.23Å; I8-F12 HydrophobicContact CG2-CE2 3.93Å; F12-R14 PolarHBondContact O-N 3.46Å
13	C	49.7	Very low	49.2	Very low	110 Å²	110	144.1 Å²	144.1	74%	0.743	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	9.4	-173.6	-63	0	0	0	0	116	Y11	Y11-C13 PolarHBondContact O-N 3.24Å
14	R	50.2	Low	49.7	Very low	226 Å²	226	140.3 Å²	140.3	85%	0.853	66%	0.663	S	S	*	*	S	Bend	trans	-126.7	-8.3	-171.1	-92.9	-175	172	-179.1	-2.8	119.6	F12	F12-R14 PolarHBondContact O-N 3.46Å
15	K	47	Very low	50.6	Low	172 Å²	172	141 Å²	141	75%	0.748	66%	0.661	S	S	*	*			trans	-146.9	93.5	173.4	-69.9	-164.9	177.2	-173.6	0	113.4	V17	K15-V17 VanDerWaalsContact C-N 3.26Å; K15-V17 PolarHBondContact O-N 3.4Å
16	P	46.9	Very low	51.5	Low	96 Å²	96	143.5 Å²	143.5	62%	0.623	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	-19.1	-179.4	27.9	-34.7	0	0	0	114.2	R18 F19	P16-R18 PolarHBondContact O-N 3.36Å; P16-F19 PolarHBondContact O-N 2.98Å
17	V	52.8	Low	52.1	Low	111 Å²	111	142.4 Å²	142.4	67%	0.673	66%	0.656	S	S	*	*	H	α-helix	trans	-62.8	-35.7	-170.5	-176.4	0	0	0	0	113.5	K15 S21	K15-V17 VanDerWaalsContact C-N 3.26Å; K15-V17 PolarHBondContact O-N 3.4Å; V17-S21 PolarHBondContact O-OG 3.24Å; V17-S21 VanDerWaalsContact O-OG 3.11Å
18	R	50.6	Low	52.9	Low	189 Å²	189	135.5 Å²	135.5	71%	0.713	64%	0.638	S	S	*	*	H	α-helix	trans	-78.1	-21.1	-176.3	-71.9	-171.8	174.8	-177.9	-3	114.3	P16 S21 L22	P16-R18 PolarHBondContact O-N 3.36Å; R18-S21 PolarHBondContact O-N 3.26Å; R18-L22 PolarHBondContact O-N 3.25Å
19	F	53.8	Low	53.2	Low	128 Å²	128	133 Å²	133	56%	0.561	63%	0.634	S	S	*	*	H	α-helix	trans	-75.4	-38	178.4	-148	-93.2	0	0	0	111.1	P16 S21 L22 I23	P16-F19 PolarHBondContact O-N 2.98Å; F19-S21 VanDerWaalsContact C-N 3.32Å; F19-S21 PolarHBondContact O-N 3.15Å; F19-L22 PolarHBondContact O-N 3.22Å; F19-I23 HydrophobicContact CD1-CD1 3.77Å; F19-I23 HydrophobicContact CD1-CG1 4.38Å; F19-I23 HydrophobicContact CE1-CD1 3.98Å; F19-I23 PolarHBondContact O-N 3.35Å; F19-I23 VanDerWaalsContact O-N 3.11Å
20	F	54.2	Low	53.2	Low	156 Å²	156	128.3 Å²	128.3	68%	0.684	62%	0.622	S	S	*	*	H	α-helix	trans	-62.7	-36.4	170.7	-82	-81.2	0	0	0	112.6	L22 I23 L24	F20-L22 VanDerWaalsContact C-N 3.33Å; F20-L22 PolarHBondContact O-N 3.22Å; F20-I23 PolarHBondContact O-N 3.49Å; F20-L24 WeakPolarHBondContact O-CB 3.5Å; F20-L24 PolarHBondContact O-N 2.85Å
21	S	56.1	Low	53.4	Low	60 Å²	60	121.7 Å²	121.7	42%	0.42	61%	0.608	S	S	.	*	H	α-helix	trans	-60.3	-41	175.1	-45.5	0	0	0	0	112.8	V17 R18 F19 L25	V17-S21 PolarHBondContact O-OG 3.24Å; V17-S21 VanDerWaalsContact O-OG 3.11Å; R18-S21 PolarHBondContact O-N 3.26Å; F19-S21 VanDerWaalsContact C-N 3.32Å; F19-S21 PolarHBondContact O-N 3.15Å; S21-L25 WeakPolarHBondContact O-CB 3.24Å; S21-L25 PolarHBondContact O-N 2.84Å
22	L	57.3	Low	53.3	Low	117 Å²	117	118.2 Å²	118.2	61%	0.613	60%	0.602	S	S	*	*	H	α-helix	trans	-71.2	-40.2	178.8	-74.9	164.4	0	0	0	112.2	R18 F19 F20 L24 L25 Y26	R18-L22 PolarHBondContact O-N 3.25Å; F19-L22 PolarHBondContact O-N 3.22Å; F20-L22 VanDerWaalsContact C-N 3.33Å; F20-L22 PolarHBondContact O-N 3.22Å; L22-L24 VanDerWaalsContact C-N 3.35Å; L22-L25 PolarHBondContact O-N 3.49Å; L22-Y26 WeakPolarHBondContact O-CB 3.36Å; L22-Y26 PolarHBondContact O-N 3.24Å
23	I	64.6	Low	53.2	Low	79 Å²	79	116.4 Å²	116.4	41%	0.405	60%	0.603	S	S	.	*	H	α-helix	trans	-65.2	-39.8	174.2	-67.1	170.8	0	0	0	110.8	F19 F20 Y26 L27	F19-I23 HydrophobicContact CD1-CD1 3.77Å; F19-I23 HydrophobicContact CD1-CG1 4.38Å; F19-I23 HydrophobicContact CE1-CD1 3.98Å; F19-I23 PolarHBondContact O-N 3.35Å; F19-I23 VanDerWaalsContact O-N 3.11Å; F20-I23 PolarHBondContact O-N 3.49Å; I23-Y26 PolarHBondContact O-N 2.9Å; I23-L27 HydrophobicContact CG2-CD1 3.91Å; I23-L27 HydrophobicContact CG2-CG 4.45Å; I23-L27 WeakPolarHBondContact O-CG 3.31Å; I23-L27 PolarHBondContact O-N 2.58Å
24	L	57.5	Low	52.8	Low	121 Å²	121	119.3 Å²	119.3	63%	0.634	60%	0.603	S	S	*	*	H	α-helix	trans	-65	-43	177.1	-145.4	80.6	0	0	0	111.5	F20 L22 Y26 L27 T28	F20-L24 WeakPolarHBondContact O-CB 3.5Å; F20-L24 PolarHBondContact O-N 2.85Å; L22-L24 VanDerWaalsContact C-N 3.35Å; L24-Y26 VanDerWaalsContact C-N 3.34Å; L24-Y26 PolarHBondContact O-N 3.36Å; L24-L27 PolarHBondContact O-N 3.06Å; L24-T28 WeakPolarHBondContact O-CG2 3.46Å; L24-T28 PolarHBondContact O-N 3.24Å; L24-T28 PolarHBondContact O-OG1 2.77Å
25	L	59.8	Low	52.2	Low	114 Å²	114	115.2 Å²	115.2	60%	0.597	60%	0.598	S	S	*	*	H	α-helix	trans	-62.1	-37.8	173.7	-90	161.6	0	0	0	112.9	S21 L22 T28 A29	S21-L25 WeakPolarHBondContact O-CB 3.24Å; S21-L25 PolarHBondContact O-N 2.84Å; L22-L25 PolarHBondContact O-N 3.49Å; L25-T28 WeakPolarHBondContact CA-OG1 3.49Å; L25-T28 PolarHBondContact O-OG1 3.02Å; L25-A29 VanDerWaalsContact O-CB 3.24Å; L25-A29 WeakPolarHBondContact O-CB 3.44Å; L25-A29 PolarHBondContact O-N 2.86Å
26	Y	64.9	Low	51.9	Low	192 Å²	192	115.4 Å²	115.4	75%	0.753	60%	0.601	S	S	*	*	H	α-helix	trans	-68	-39.8	176.5	-165.6	-95.9	0	0	0	111.9	L22 I23 L24 G30	L22-Y26 WeakPolarHBondContact O-CB 3.36Å; L22-Y26 PolarHBondContact O-N 3.24Å; I23-Y26 PolarHBondContact O-N 2.9Å; L24-Y26 VanDerWaalsContact C-N 3.34Å; L24-Y26 PolarHBondContact O-N 3.36Å; Y26-G30 PolarHBondContact O-N 3.31Å
27	L	58.8	Low	51.4	Low	105 Å²	105	114.9 Å²	114.9	55%	0.55	60%	0.6	S	S	.	*	H	α-helix	trans	-71.3	-35.4	176.9	-70.8	169.7	0	0	0	113.1	I23 L24 S31	I23-L27 HydrophobicContact CG2-CD1 3.91Å; I23-L27 HydrophobicContact CG2-CG 4.45Å; I23-L27 WeakPolarHBondContact O-CG 3.31Å; I23-L27 PolarHBondContact O-N 2.58Å; L24-L27 PolarHBondContact O-N 3.06Å; L27-S31 PolarHBondContact O-N 3Å; L27-S31 PolarHBondContact O-OG 2.97Å
28	T	59.4	Low	50.3	Low	75 Å²	75	112.3 Å²	112.3	46%	0.46	60%	0.596	S	S	.	*	H	α-helix	trans	-74.3	-36.3	174.2	55.9	0	0	0	0	112.2	L24 L25 S31 L32	L24-T28 WeakPolarHBondContact O-CG2 3.46Å; L24-T28 PolarHBondContact O-N 3.24Å; L24-T28 PolarHBondContact O-OG1 2.77Å; L25-T28 WeakPolarHBondContact CA-OG1 3.49Å; L25-T28 PolarHBondContact O-OG1 3.02Å; T28-S31 PolarHBondContact O-N 2.95Å; T28-L32 PolarHBondContact O-N 3.34Å
29	A	52.4	Low	49.8	Very low	53 Å²	53	113.7 Å²	113.7	44%	0.438	61%	0.607	S	S	.	*	H	α-helix	trans	-62.5	-44.2	171.4	0	0	0	0	0	112	L25 S31 L32 V33	L25-A29 VanDerWaalsContact O-CB 3.24Å; L25-A29 WeakPolarHBondContact O-CB 3.44Å; L25-A29 PolarHBondContact O-N 2.86Å; A29-S31 PolarHBondContact O-N 3.35Å; A29-L32 PolarHBondContact O-N 3.39Å; A29-L32 VanDerWaalsContact O-N 3.15Å; A29-V33 PolarHBondContact O-N 3.31Å
30	G	46.9	Very low	48.7	Very low	38 Å²	38	113.7 Å²	113.7	39%	0.392	62%	0.617	S	S	.	*	H	α-helix	trans	-60.9	-27.6	174.5	0	0	0	0	0	113.9	Y26	Y26-G30 PolarHBondContact O-N 3.31Å
31	S	47.6	Very low	47.9	Very low	74 Å²	74	110 Å²	110	52%	0.517	62%	0.623	S	S	.	*	H	α-helix	trans	-80.9	-20.9	178.7	-57.9	0	0	0	0	113.3	L27 T28 A29	L27-S31 PolarHBondContact O-N 3Å; L27-S31 PolarHBondContact O-OG 2.97Å; T28-S31 PolarHBondContact O-N 2.95Å; A29-S31 PolarHBondContact O-N 3.35Å
32	L	40.4	Very low	46.6	Very low	120 Å²	120	114 Å²	114	63%	0.628	64%	0.639	S	S	*	*	H	α-helix	trans	-78.8	-29.9	173.2	-86.9	159.5	0	0	0	112.8	T28 A29 F34 L35	T28-L32 PolarHBondContact O-N 3.34Å; A29-L32 PolarHBondContact O-N 3.39Å; A29-L32 VanDerWaalsContact O-N 3.15Å; L32-F34 VanDerWaalsContact C-N 3.27Å; L32-F34 PolarHBondContact O-N 2.96Å; L32-L35 PolarHBondContact O-N 3.49Å
33	V	46.4	Very low	45.2	Very low	108 Å²	108	113.2 Å²	113.2	66%	0.655	64%	0.644	S	S	*	*	H	α-helix	trans	-67.4	-28.2	176	179.2	0	0	0	0	112	A29	A29-V33 PolarHBondContact O-N 3.31Å
34	F	40.2	Very low	43.5	Very low	171 Å²	171	112.8 Å²	112.8	75%	0.75	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-1.6	178	-93.8	-82.3	0	0	0	115.4	L32	L32-F34 VanDerWaalsContact C-N 3.27Å; L32-F34 PolarHBondContact O-N 2.96Å
35	L	39.4	Very low	42.4	Very low	141 Å²	141	113.1 Å²	113.1	74%	0.738	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.7	0.3	179.6	-84.4	167.1	0	0	0	114.6	L32	L32-L35 PolarHBondContact O-N 3.49Å
36	H	38.8	Very low	40.8	Very low	175 Å²	175	119.6 Å²	119.6	81%	0.81	69%	0.685	S	S	*	*	S	Bend	trans	-111.7	-8.5	171.6	-98.4	-64.5	0	0	0	115.2	G38	H36-G38 PolarHBondContact O-N 3.19Å
37	S	37.7	Very low	39.1	Very low	86 Å²	86	115.2 Å²	115.2	60%	0.601	69%	0.689	S	S	*	*			trans	-80.8	55.6	169.8	49.5	0	0	0	0	111.8
38	G	29.4	Very low	37.7	Very low	57 Å²	57	122.5 Å²	122.5	59%	0.588	71%	0.709	S	S	*	*			trans	-74	147.8	164.3	0	0	0	0	0	110.6	H36 V40	H36-G38 PolarHBondContact O-N 3.19Å; G38-V40 PolarHBondContact O-N 2.77Å; G38-V40 VanDerWaalsContact O-N 3.11Å
39	F	39.6	Very low	36.2	Very low	218 Å²	218	122.7 Å²	122.7	96%	0.956	73%	0.726	S	S	*	*			trans	-54.1	114.6	179.4	-90.3	-109.9	0	0	0	112.1
40	V	31.3	Very low	35	Very low	128 Å²	128	123.7 Å²	123.7	78%	0.776	74%	0.741	S	S	*	*			trans	-122.4	105.8	154.8	178.9	0	0	0	0	106.2	G38 D42	G38-V40 PolarHBondContact O-N 2.77Å; G38-V40 VanDerWaalsContact O-N 3.11Å; V40-D42 PolarHBondContact O-N 2.94Å
41	G	37.6	Very low	34.1	Very low	78 Å²	78	132.9 Å²	132.9	80%	0.804	76%	0.764	S	S	*	*			trans	-77.7	108.4	165.4	0	0	0	0	0	107.5
42	D	27.7	Very low	33.2	Very low	143 Å²	143	135.6 Å²	135.6	77%	0.765	77%	0.773	S	S	*	*			trans	-90.9	122.6	177.6	-163.8	14.7	0	0	0	111.2	V40 G44	V40-D42 PolarHBondContact O-N 2.94Å; D42-G44 PolarHBondContact O-N 3.15Å
43	S	28.5	Very low	32.6	Very low	101 Å²	101	135.1 Å²	135.1	71%	0.706	78%	0.779	S	S	*	*			trans	-77.4	112.7	173.2	46.8	0	0	0	0	109.7
44	G	29.1	Very low	31.7	Very low	70 Å²	70	136.1 Å²	136.1	72%	0.722	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-55.2	140.2	178.1	0	0	0	0	0	113.2	D42	D42-G44 PolarHBondContact O-N 3.15Å
45	P	34.3	Very low	31.2	Very low	129 Å²	129	134.2 Å²	134.2	84%	0.838	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-76.4	151.3	-173.6	30.5	-35.7	0	0	0	113.3
46	R	26.8	Very low	30.6	Very low	250 Å²	250	132.2 Å²	132.2	94%	0.943	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-62.2	131.7	175	-74	170.8	162.7	163.8	-6.8	112.4
47	A	29.4	Very low	30.1	Very low	100 Å²	100	129.3 Å²	129.3	83%	0.826	79%	0.791	S	S	*	*			trans	-105.9	144.1	149.1	0	0	0	0	0	109.5
48	R	28.8	Very low	29.6	Very low	257 Å²	257	134.1 Å²	134.1	97%	0.97	80%	0.804	S	S	*	*			trans	-90.9	144.5	-179.5	-76.1	171.4	159.7	169.8	-7.4	111.4
49	G	27.5	Very low	29.6	Very low	79 Å²	79	136.2 Å²	136.2	81%	0.814	82%	0.816	S	S	*	*			trans	159.2	123.3	155.5	0	0	0	0	0	116.3
50	G	26.9	Very low	28.9	Very low	74 Å²	74	129.5 Å²	129.5	76%	0.763	81%	0.808	S	S	*	*			trans	78	128.6	172.3	0	0	0	0	0	114.9
51	R	28.9	Very low	28.7	Very low	231 Å²	231	127 Å²	127	87%	0.872	81%	0.809	S	S	*	*				60.9	123.2	59.4	-73	-159.1	178.4	162.2	-1.5	112.5
52	D	28.4	Very low	28.1	Very low	132 Å²	132	135.1 Å²	135.1	71%	0.706	82%	0.815	S	S	*	*			cis	-151.3	156.2	8.1	-82.7	-45	0	0	0	113.4
53	S	26.7	Very low	28	Very low	109 Å²	109	132.7 Å²	132.7	76%	0.762	82%	0.815	S	S	*	*			trans	36.8	153.5	147.2	65	0	0	0	0	126.2
54	V	29.5	Very low	27.8	Very low	130 Å²	130	132.9 Å²	132.9	79%	0.788	82%	0.816	S	S	*	*			trans	100	89	157.6	-170.7	0	0	0	0	114.8
55	V	28.3	Very low	27.5	Very low	130 Å²	130	134.2 Å²	134.2	79%	0.788	81%	0.814	S	S	*	*				99.8	123.7	70	161.6	0	0	0	0	113.4
56	A	27.8	Very low	27.1	Very low	99 Å²	99	133 Å²	133	82%	0.818	81%	0.809	S	S	*	*			trans	64.6	149.2	159.3	0	0	0	0	0	119.3
57	S	28.1	Very low	26.9	Very low	115 Å²	115	127.4 Å²	127.4	80%	0.804	80%	0.798	S	S	*	*			cis	-146	167.3	1.3	61.9	0	0	0	0	113.4
58	E	27.7	Very low	26.7	Very low	186 Å²	186	127.6 Å²	127.6	87%	0.869	79%	0.788	S	S	*	*			trans	-63.7	176.2	168.7	-54.5	162.7	124.5	0	0	111.7
59	A	29.3	Very low	26.5	Very low	102 Å²	102	126.5 Å²	126.5	84%	0.843	79%	0.785	S	S	*	*			cis	-156.2	177	20	0	0	0	0	0	109.7
60	G	25.2	Very low	26.4	Very low	77 Å²	77	125.8 Å²	125.8	79%	0.794	78%	0.777	S	S	*	*			cis	143	113.3	-4	0	0	0	0	0	113.3
61	G	26.3	Very low	26.3	Very low	76 Å²	76	130.9 Å²	130.9	78%	0.784	79%	0.785	S	S	*	*			trans	88.7	160.8	163.2	0	0	0	0	0	118.3
62	R	25.4	Very low	26	Very low	247 Å²	247	123.6 Å²	123.6	93%	0.932	78%	0.783	S	S	*	*			cis	-170.3	141.6	-6.6	-138.2	179.2	-174	174.1	1.7	112.1
63	A	24.9	Very low	25.9	Very low	93 Å²	93	125.6 Å²	125.6	77%	0.769	79%	0.792	S	S	*	*			trans	56.9	163.3	149.6	0	0	0	0	0	119.7
64	S	23.9	Very low	25.7	Very low	104 Å²	104	128.8 Å²	128.8	73%	0.727	80%	0.797	S	S	*	*			cis	-153.5	157.6	-0.9	-143.1	0	0	0	0	113
65	S	23.6	Very low	25.3	Very low	98 Å²	98	127.5 Å²	127.5	69%	0.685	79%	0.793	S	S	*	*			trans	-11.8	159.8	141.6	62	0	0	0	0	118.7
66	S	24.6	Very low	25	Very low	104 Å²	104	132.4 Å²	132.4	73%	0.727	80%	0.797	S	S	*	*			cis	-172.9	-174.1	1.1	41.9	0	0	0	0	107.5
67	D	23.8	Very low	24.9	Very low	133 Å²	133	133.6 Å²	133.6	71%	0.711	80%	0.795	S	S	*	*			cis	-154.7	-163.2	14	-158	58	0	0	0	114.3
68	T	25.2	Very low	24.6	Very low	103 Å²	103	138.5 Å²	138.5	63%	0.632	80%	0.802	S	S	*	*			trans	-65.7	171.7	179.2	66.1	0	0	0	0	115.5
69	R	25	Very low	24.4	Very low	235 Å²	235	138.5 Å²	138.5	89%	0.887	80%	0.799	S	S	*	*			cis	-146.3	160.5	23.2	-61.8	176.7	170.1	174.4	-5.7	110.7
70	G	24.2	Very low	24.1	Very low	63 Å²	63	142.5 Å²	142.5	65%	0.649	80%	0.8	S	S	*	*			cis	163.7	-174.2	-3.5	0	0	0	0	0	113.5
71	L	24.7	Very low	23.9	Very low	181 Å²	181	144.9 Å²	144.9	95%	0.948	80%	0.8	S	S	*	*			trans	62.2	136.3	170.4	-70.5	95.3	0	0	0	119.8
72	G	24.2	Very low	23.9	Very low	79 Å²	79	153.1 Å²	153.1	81%	0.814	81%	0.807	S	S	*	*			trans	147.7	61.1	160.2	0	0	0	0	0	116.4
73	I	25.4	Very low	23.7	Very low	174 Å²	174	153 Å²	153	89%	0.892	81%	0.807	S	S	*	*			trans	-62.5	144.1	179.7	-75.6	167.9	0	0	0	112.6
74	M	22	Very low	23.7	Very low	176 Å²	176	155.2 Å²	155.2	87%	0.867	81%	0.811	S	S	*	*			trans	-55.7	135.2	169.6	-76	-159.2	-179.1	0	0	113.4
75	S	21.8	Very low	23.7	Very low	102 Å²	102	154 Å²	154	71%	0.713	81%	0.814	S	S	*	*			trans	-176.2	134.1	132.1	-96.4	0	0	0	0	115
76	R	22.8	Very low	23.8	Very low	233 Å²	233	160.8 Å²	160.8	88%	0.879	82%	0.824	S	S	*	*			trans	65.8	136.2	161.5	-51.6	167	-178	-172.9	-0.6	114.1
77	V	23.8	Very low	23.9	Very low	125 Å²	125	167.6 Å²	167.6	76%	0.758	83%	0.834	S	S	*	*				-164.9	142.2	52.3	161	0	0	0	0	108.3	K79	V77-K79 PolarHBondContact O-N 3.28Å
78	F	23.6	Very low	24.1	Very low	217 Å²	217	171.4 Å²	171.4	95%	0.952	85%	0.845	S	S	*	*			trans	-64.3	112.4	161.5	-110.4	-97.3	0	0	0	109.6
79	K	23.1	Very low	24.3	Very low	186 Å²	186	169.5 Å²	169.5	81%	0.809	85%	0.846	S	S	*	*			trans	-145.4	108.6	156.8	-143.5	169.5	-171.9	175.7	0	113	V77 T81	V77-K79 PolarHBondContact O-N 3.28Å; K79-T81 PolarHBondContact O-N 3.39Å
80	E	22.3	Very low	24.6	Very low	186 Å²	186	164.7 Å²	164.7	87%	0.869	85%	0.845	S	S	*	*			trans	-54.5	125.7	173.6	-173.8	172.8	-164.2	0	0	111.8
81	T	22	Very low	24.8	Very low	128 Å²	128	174 Å²	174	79%	0.785	86%	0.86	S	S	*	*			trans	-139.4	120.1	163.1	30	0	0	0	0	110.7	K79 R83	K79-T81 PolarHBondContact O-N 3.39Å; T81-R83 PolarHBondContact O-N 2.88Å
82	R	24.8	Very low	25.3	Very low	248 Å²	248	176.2 Å²	176.2	94%	0.936	86%	0.857	S	S	*	*			trans	-53.4	123.2	170.2	-77.2	171.5	160.7	174.4	-6.7	110.4
83	R	22.2	Very low	25.6	Very low	246 Å²	246	181 Å²	181	93%	0.928	86%	0.86	S	S	*	*			trans	-124.9	126.2	154	-85.7	-173.8	167	178	-2.4	109.9	T81	T81-R83 PolarHBondContact O-N 2.88Å
84	T	24.7	Very low	25.7	Very low	139 Å²	139	184.3 Å²	184.3	85%	0.853	86%	0.861	S	S	*	*	P	Polyproline II helix	trans	-73.3	135.1	-175.1	35.4	0	0	0	0	111.6
85	G	24.7	Very low	25.9	Very low	77 Å²	77	185.7 Å²	185.7	79%	0.794	86%	0.862	S	S	*	*	P	Polyproline II helix	trans	-65.2	138	178.1	0	0	0	0	0	112.5
86	R	24.5	Very low	26	Very low	241 Å²	241	186.7 Å²	186.7	91%	0.909	87%	0.869	S	S	*	*	P	Polyproline II helix	trans	-71.7	138.9	179.2	-69.3	173.9	169.8	172.5	-5.1	111.1
87	R	27.9	Very low	26.2	Very low	248 Å²	248	179.1 Å²	179.1	94%	0.936	86%	0.863	S	S	*	*	P	Polyproline II helix	trans	-78.4	142.6	168.6	-68.4	178.8	178.7	173.1	-1.9	110.2
88	F	27.3	Very low	26.2	Very low	212 Å²	212	182.6 Å²	182.6	93%	0.93	87%	0.871	S	S	*	*	P	Polyproline II helix	trans	-99.1	137.8	163.3	-78.6	-90.1	0	0	0	109.9
89	G	29.8	Very low	26.2	Very low	63 Å²	63	176.1 Å²	176.1	65%	0.649	87%	0.866	S	S	*	*			trans	-170.8	138.4	175.5	0	0	0	0	0	109.5
90	P	30.4	Very low	26.2	Very low	135 Å²	135	170.8 Å²	170.8	88%	0.877	86%	0.863	S	S	*	*			trans	-62.4	153	-178.1	-25	35.7	0	0	0	114	W92	P90-W92 PolarHBondContact O-N 2.91Å
91	R	28.7	Very low	26.2	Very low	257 Å²	257	171.8 Å²	171.8	97%	0.97	86%	0.861	S	S	*	*	S	Bend	trans	-100.2	57.5	-163.3	-158.8	-177.8	-174.3	-173.3	1.3	113.8
92	W	35.5	Very low	26.4	Very low	229 Å²	229	174.1 Å²	174.1	87%	0.867	86%	0.86	S	S	*	*			trans	-127.6	147.5	148.5	92.5	40.8	0	0	0	110	P90	P90-W92 PolarHBondContact O-N 2.91Å
93	M	30.2	Very low	26.4	Very low	179 Å²	179	168.8 Å²	168.8	88%	0.882	86%	0.855	S	S	*	*			trans	123.5	79.3	-179.3	-75.2	-161.3	-177.2	0	0	110.8
94	R	27.1	Very low	26.5	Very low	243 Å²	243	162.1 Å²	162.1	92%	0.917	85%	0.852	S	S	*	*			trans	-153.9	87.5	161.7	-154.5	-174.3	92.8	159.4	6.9	113.3
95	K	27.8	Very low	26.5	Very low	206 Å²	206	159.3 Å²	159.3	90%	0.896	85%	0.852	S	S	*	*			trans	-146.6	145.2	146.7	-69.9	-166.5	-180	-179	0	106.4
96	S	23.5	Very low	26.4	Very low	123 Å²	123	168 Å²	168	86%	0.86	86%	0.861	S	S	*	*			cis	129.5	124	-0.8	178	0	0	0	0	108.1
97	G	25.6	Very low	26.3	Very low	73 Å²	73	160.5 Å²	160.5	75%	0.753	86%	0.858	S	S	*	*			trans	103.9	140.1	178.4	0	0	0	0	0	114.4
98	Q	24.4	Very low	26.2	Very low	199 Å²	199	152.4 Å²	152.4	93%	0.93	85%	0.851	S	S	*	*				168.4	133.3	-55.3	179.4	176	17.5	0	0	108.1
99	G	24.5	Very low	26	Very low	81 Å²	81	149.3 Å²	149.3	84%	0.835	85%	0.845	S	S	*	*			trans	91.7	147	177.1	0	0	0	0	0	115.1
100	G	23.3	Very low	25.7	Very low	73 Å²	73	157.8 Å²	157.8	75%	0.753	86%	0.858	S	S	*	*			cis	-178.8	141.3	-7.9	0	0	0	0	0	113.5
101	Y	22.2	Very low	25.4	Very low	208 Å²	208	157 Å²	157	82%	0.816	85%	0.852	S	S	*	*			trans	28.1	130.7	158.6	-78	-85.5	0	0	0	125.3
102	K	25	Very low	25.3	Very low	176 Å²	176	150.8 Å²	150.8	77%	0.765	85%	0.848	S	S	*	*			trans	66.1	157.2	142.8	-73.7	166.9	179.2	-179.2	0	117.5
103	T	24.3	Very low	24.7	Very low	136 Å²	136	144.5 Å²	144.5	83%	0.834	84%	0.838	S	S	*	*			cis	-149.3	179.8	6.1	-12.5	0	0	0	0	111.3
104	A	24.9	Very low	24.4	Very low	106 Å²	106	147.4 Å²	147.4	88%	0.876	84%	0.84	S	S	*	*			trans	-79	162.4	-174.4	0	0	0	0	0	116.4
105	G	24.7	Very low	24.6	Very low	81 Å²	81	143.1 Å²	143.1	84%	0.835	84%	0.835	S	S	*	*			trans	-152.6	144.1	167.7	0	0	0	0	0	111.3
106	R	23.4	Very low	24.5	Very low	260 Å²	260	145.1 Å²	145.1	98%	0.981	84%	0.837	S	S	*	*			trans	-98.9	160.1	-171.9	-87.5	174.7	162.2	169.2	-7.4	113.4
107	G	22.6	Very low	24.7	Very low	83 Å²	83	143.7 Å²	143.7	86%	0.856	83%	0.833	S	S	*	*			trans	130.3	125.4	155.1	0	0	0	0	0	113.3
108	G	24.3	Very low	24.9	Very low	77 Å²	77	147.5 Å²	147.5	79%	0.794	84%	0.835	S	S	*	*			cis	-164.1	164.3	-3.7	0	0	0	0	0	111.6
109	D	22.8	Very low	25.1	Very low	148 Å²	148	148.4 Å²	148.4	79%	0.791	84%	0.836	S	S	*	*			trans	-74.5	148.6	-172.4	-58.9	-73.9	0	0	0	114.4
110	Y	23.4	Very low	25.5	Very low	240 Å²	240	148 Å²	148	94%	0.941	83%	0.831	S	S	*	*			trans	-149.4	75.4	147.9	-120	-81.7	0	0	0	110.7
111	T	24.9	Very low	25.7	Very low	119 Å²	119	155.5 Å²	155.5	73%	0.73	84%	0.837	S	S	*	*			trans	-135.2	113.8	169.9	57.4	0	0	0	0	110.7
112	S	25.8	Very low	25.9	Very low	127 Å²	127	153.1 Å²	153.1	89%	0.888	84%	0.839	S	S	*	*			trans	157.6	89.4	136	64.3	0	0	0	0	113.4
113	S	24.1	Very low	26.2	Very low	96 Å²	96	149.9 Å²	149.9	67%	0.671	85%	0.845	S	S	*	*			trans	-167.6	126	141.2	-156.7	0	0	0	0	104.6
114	W	24.1	Very low	27.1	Very low	240 Å²	240	150.8 Å²	150.8	91%	0.909	84%	0.837	S	S	*	*			cis	-141.8	147.3	40	-75	74.8	0	0	0	111.6
115	N	30.3	Very low	27.9	Very low	154 Å²	154	153.1 Å²	153.1	82%	0.824	84%	0.835	S	S	*	*			trans	-143.2	76.8	178.6	-141.3	1.9	0	0	0	112.1
116	R	26.8	Very low	28.5	Very low	247 Å²	247	156.1 Å²	156.1	93%	0.932	84%	0.836	S	S	*	*			trans	176.2	98	155.6	-107.7	168.4	-84.2	-177	-9.6	113.6
117	A	27.6	Very low	29.4	Very low	94 Å²	94	150.5 Å²	150.5	78%	0.777	83%	0.826	S	S	*	*			trans	-167.4	159.6	146.6	0	0	0	0	0	108.7
118	L	29.2	Very low	30.5	Very low	153 Å²	153	150.4 Å²	150.4	80%	0.801	81%	0.806	S	S	*	*			trans	71.7	61.2	176.3	-54.9	175	0	0	0	116.6
119	K	29.5	Very low	31.9	Very low	217 Å²	217	149 Å²	149	94%	0.943	79%	0.791	S	S	*	*			trans	-75.4	121.3	148.6	-171.5	180	-175.4	-177.9	0	108.2
120	G	31.9	Very low	33.9	Very low	72 Å²	72	147.4 Å²	147.4	74%	0.742	77%	0.774	S	S	*	*			trans	96.1	97.2	166.2	0	0	0	0	0	117
121	R	26.9	Very low	36.4	Very low	231 Å²	231	136.9 Å²	136.9	87%	0.872	74%	0.737	S	S	*	*			trans	-138	142.6	143	-69.4	-167.3	-174.6	-177.4	3.5	108.1
122	N	26.4	Very low	39.4	Very low	159 Å²	159	138 Å²	138	85%	0.85	73%	0.732	S	S	*	*			trans	-67.4	145.5	-177.7	-77.7	-35.8	0	0	0	111.5	K124	N122-K124 VanDerWaalsContact C-N 3.3Å; N122-K124 PolarHBondContact O-N 3.03Å
123	A	33	Very low	42.4	Very low	108 Å²	108	135.6 Å²	135.6	89%	0.893	70%	0.703	S	S	*	*	S	Bend	trans	-76.2	82.6	166.6	0	0	0	0	0	110.1
124	K	43.3	Very low	45.7	Very low	155 Å²	155	134 Å²	134	67%	0.674	69%	0.687	S	S	*	*			trans	-132.5	148.4	154.6	-77.9	-162.7	171.6	-167.7	0	107.9	N122	N122-K124 VanDerWaalsContact C-N 3.3Å; N122-K124 PolarHBondContact O-N 3.03Å
125	D	41.4	Very low	49	Very low	155 Å²	155	122.8 Å²	122.8	83%	0.829	65%	0.645	S	S	*	*			trans	65.3	68.8	178.5	-48.5	-24.7	0	0	0	115.2
126	V	36.5	Very low	52.1	Low	143 Å²	143	115.5 Å²	115.5	87%	0.867	61%	0.606	S	S	*	*			trans	-84.7	104	141.2	179.9	0	0	0	0	106.4	D128	V126-D128 VanDerWaalsContact C-N 3.34Å; V126-D128 PolarHBondContact O-N 3.46Å
127	D	42.6	Very low	55.5	Low	143 Å²	143	105.1 Å²	105.1	77%	0.765	57%	0.567	S	S	*	*			trans	-71.8	86.3	176.4	-171.7	37.1	0	0	0	110.2	G129	D127-G129 PolarHBondContact O-N 2.9Å
128	D	45.5	Very low	58.6	Low	81 Å²	81	102.8 Å²	102.8	43%	0.433	54%	0.544	S	S	.	.			trans	-83.7	92.9	166	-178.2	12.9	0	0	0	107.3	V126 R130	V126-D128 VanDerWaalsContact C-N 3.34Å; V126-D128 PolarHBondContact O-N 3.46Å; D128-R130 PolarHBondContact O-N 2.8Å; D128-R130 IonicContact OD1-CZ 3.14Å; D128-R130 VanDerWaalsContact OD1-CZ 3.23Å; D128-R130 IonicContact OD1-NE 3.9Å; D128-R130 PolarHBondContact OD1-NE 2.84Å; D128-R130 IonicContact OD1-NH2 2.63Å; D128-R130 PolarHBondContact OD1-NH2 3.01Å; D128-R130 IonicContact OD2-CZ 3.63Å; D128-R130 VanDerWaalsContact OD2-CZ 3.31Å; D128-R130 IonicContact OD2-NE 2.61Å; D128-R130 PolarHBondContact OD2-NE 2.77Å; D128-R130 IonicContact OD2-NH2 2.7Å; D128-R130 PolarHBondContact OD2-NH2 3.1Å
129	G	53.6	Low	61.6	Low	47 Å²	47	95.7 Å²	95.7	49%	0.485	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	72.3	-172	0	0	0	0	0	114.6	D127 E222	D127-G129 PolarHBondContact O-N 2.9Å; G129-E222 VanDerWaalsContact C-OE2 3.3Å
130	R	65.9	Low	64.4	Low	115 Å²	115	88.6 Å²	88.6	43%	0.434	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149.9	-29.7	-177.5	-71.8	-172.5	-83.9	-172.6	-5	112.1	D128 E222	D128-R130 PolarHBondContact O-N 2.8Å; D128-R130 IonicContact OD1-CZ 3.14Å; D128-R130 VanDerWaalsContact OD1-CZ 3.23Å; D128-R130 IonicContact OD1-NE 3.9Å; D128-R130 PolarHBondContact OD1-NE 2.84Å; D128-R130 IonicContact OD1-NH2 2.63Å; D128-R130 PolarHBondContact OD1-NH2 3.01Å; D128-R130 IonicContact OD2-CZ 3.63Å; D128-R130 VanDerWaalsContact OD2-CZ 3.31Å; D128-R130 IonicContact OD2-NE 2.61Å; D128-R130 PolarHBondContact OD2-NE 2.77Å; D128-R130 IonicContact OD2-NH2 2.7Å; D128-R130 PolarHBondContact OD2-NH2 3.1Å; R130-E222 WeakPolarHBondContact O-CB 3.24Å; R130-E222 PolarHBondContact O-N 2.91Å
131	A	75.5	Confident	66.9	Low	19 Å²	19	90 Å²	90	16%	0.157	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	129	174.4	0	0	0	0	0	112.5	Q163 R220 L221	A131-Q163 HydrophobicContact CB-CG 4.02Å; A131-R220 CarbonylContact C-O 3.58Å; A131-R220 VanDerWaalsContact CA-O 3.24Å; A131-R220 WeakPolarHBondContact CA-O 3.4Å; A131-L221 HydrophobicContact CB-CD2 3.75Å
132	K	87.6	Confident	69.4	Low	143 Å²	143	86.3 Å²	86.3	62%	0.622	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.5	125.8	177.4	-179.8	169.6	-176.8	169.4	0	110.8	Y219 R220	K132-Y219 CarbonylContact O-C 3.58Å; K132-Y219 WeakPolarHBondContact O-CA 3.34Å; K132-R220 PolarHBondContact N-O 2.85Å; K132-R220 PolarHBondContact O-N 2.98Å
133	Y	89.2	Confident	72.1	Confident	75 Å²	75	86.1 Å²	86.1	29%	0.294	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	135.5	170.8	-176.1	-115.8	0	0	0	110.8	G135 C136 E195 I218 Y219	Y133-G135 VanDerWaalsContact OH-C 3.29Å; Y133-C136 PolarHBondContact OH-N 3.2Å; Y133-E195 WeakPolarHBondContact CE1-OE2 3.48Å; Y133-E195 PolarHBondContact OH-OE1 3.5Å; Y133-E195 PolarHBondContact OH-OE2 3.39Å; Y133-I218 VanDerWaalsContact CD2-O 3.3Å; Y133-I218 WeakPolarHBondContact CD2-O 3.49Å; Y133-Y219 AromaticContact CD2-CD1 3.85Å; Y133-Y219 HydrophobicContact CD2-CD1 3.85Å; Y133-Y219 HydrophobicContact CD2-CD2 4.37Å; Y133-Y219 AromaticContact CD2-CE1 3.52Å; Y133-Y219 HydrophobicContact CD2-CE1 3.52Å; Y133-Y219 HydrophobicContact CD2-CE2 4.06Å; Y133-Y219 HydrophobicContact CD2-CG 4.26Å; Y133-Y219 AromaticContact CD2-CZ 3.62Å; Y133-Y219 HydrophobicContact CE2-CE2 4.43Å; Y133-Y219 HydrophobicContact CG-CD1 4.34Å; Y133-Y219 HydrophobicContact CG-CE1 4.06Å
134	I	92.9	Very high	74.7	Confident	64 Å²	64	84.3 Å²	84.3	33%	0.328	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	-38.3	-176.6	-58.7	-64	0	0	0	111.2	Y137 Y173 I188 I218 R220	I134-Y137 HydrophobicContact CG2-CE2 4Å; I134-Y137 WeakPolarHBondContact CG2-OH 3.42Å; I134-Y173 HydrophobicContact CG1-CE1 4.48Å; I134-I188 HydrophobicContact CG2-CD1 4.2Å; I134-I218 PolarHBondContact N-O 3.5Å; I134-R220 HydrophobicContact CD1-CB 3.62Å; I134-R220 HydrophobicContact CG1-CB 3.67Å
135	G	93.1	Very high	76.9	Confident	3 Å²	3	76.9 Å²	76.9	3%	0.031	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	151.4	-179.1	175.3	0	0	0	0	0	113.6	Y133 Y137 E195 I218	Y133-G135 VanDerWaalsContact OH-C 3.29Å; G135-Y137 WeakPolarHBondContact O-CD2 3.4Å; G135-E195 VanDerWaalsContact CA-OE1 3.23Å; G135-E195 WeakPolarHBondContact CA-OE1 3.31Å; G135-I218 PolarHBondContact N-O 2.85Å; G135-I218 PolarHBondContact O-N 2.91Å
136	C	96.4	Very high	79.2	Confident	1 Å²	1	69.6 Å²	69.6	1%	0.007	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	131.7	170.2	-165.8	0	0	0	0	111.3	Y133 N192 A193 S194 E195 C198 L216	Y133-C136 PolarHBondContact OH-N 3.2Å; C136-N192 WeakPolarHBondContact O-CA 3.34Å; C136-A193 HydrophobicContact CB-CB 4.49Å; C136-A193 PolarHBondContact O-N 3.07Å; C136-S194 PolarHBondContact SG-O 3.28Å; C136-E195 PolarHBondContact N-OE1 3.23Å; C136-C198 WeakPolarHBondContact CA-SG 3.24Å; C136-C198 HydrophobicContact CB-CB 3.73Å; C136-C198 WeakPolarHBondContact CB-SG 3.34Å; C136-C198 WeakPolarHBondContact SG-CB 3.13Å; C136-C198 PolarHBondContact SG-N 2.96Å; C136-C198 VanDerWaalsContact SG-N 3.37Å; C136-C198 CovalentContact SG-SG 2.04Å; C136-C198 PolarHBondContact SG-SG 3.48Å; C136-L216 WeakPolarHBondContact CA-O 3.47Å
137	Y	96.8	Very high	81.5	Confident	29 Å²	29	70.7 Å²	70.7	11%	0.114	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	149.9	180	-74	-97.8	0	0	0	111.8	I134 G135 I188 A190 N192 R215 L216 I218	I134-Y137 HydrophobicContact CG2-CE2 4Å; I134-Y137 WeakPolarHBondContact CG2-OH 3.42Å; G135-Y137 WeakPolarHBondContact O-CD2 3.4Å; Y137-I188 HydrophobicContact CD1-CG2 3.55Å; Y137-I188 HydrophobicContact CE1-CB 4.5Å; Y137-I188 HydrophobicContact CE1-CD1 4.33Å; Y137-I188 HydrophobicContact CE1-CG2 3.5Å; Y137-I188 HydrophobicContact CE2-CD1 4.08Å; Y137-I188 HydrophobicContact CG-CG2 4.13Å; Y137-A190 WeakPolarHBondContact CD1-O 3.48Å; Y137-N192 WeakPolarHBondContact CE1-OD1 3.22Å; Y137-N192 WeakPolarHBondContact CE2-OD1 3.12Å; Y137-N192 PolarHBondContact OH-OD1 3.24Å; Y137-R215 CarbonylContact O-C 3.33Å; Y137-R215 VanDerWaalsContact O-CA 3.31Å; Y137-R215 WeakPolarHBondContact O-CA 3.4Å; Y137-L216 PolarHBondContact N-O 3Å; Y137-L216 PolarHBondContact O-N 2.91Å; Y137-I218 HydrophobicContact CD1-CD1 4.42Å; Y137-I218 HydrophobicContact CD2-CB 3.79Å; Y137-I218 HydrophobicContact CD2-CD1 3.51Å; Y137-I218 HydrophobicContact CD2-CG1 3.67Å; Y137-I218 HydrophobicContact CE2-CB 4.04Å; Y137-I218 HydrophobicContact CE2-CD1 4.17Å; Y137-I218 HydrophobicContact CE2-CG1 4.37Å; Y137-I218 HydrophobicContact CG-CD1 3.65Å; Y137-I218 HydrophobicContact CG-CG1 4.22Å
138	V	94.5	Very high	83.3	Confident	46 Å²	46	65.2 Å²	65.2	28%	0.279	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	137.1	170.3	-178.8	0	0	0	0	109.5	A190 P191 A193	V138-A190 WeakPolarHBondContact O-CB 3.5Å; V138-P191 HydrophobicContact CB-CG 4.4Å; V138-P191 HydrophobicContact CG2-CG 4.27Å; V138-P191 PolarHBondContact N-O 3.01Å; V138-P191 VanDerWaalsContact N-O 3.12Å; V138-A193 HydrophobicContact CG2-CB 4.03Å
139	D	91.9	Very high	84.8	Confident	4 Å²	4	64.1 Å²	64.1	2%	0.021	32%	0.323	C	S	.	.			trans	-125.1	144.5	169.3	-159.4	38.5	0	0	0	111.8	R144 A145 N214 L216	D139-R144 VanDerWaalsContact OD1-CA 3.23Å; D139-R144 WeakPolarHBondContact OD1-CA 3.47Å; D139-R144 WeakPolarHBondContact OD2-CD 3.26Å; D139-R144 IonicContact OD2-CZ 2.69Å; D139-R144 IonicContact OD2-NE 2.75Å; D139-R144 IonicContact OD2-NH1 3.74Å; D139-R144 PolarHBondContact OD2-NH1 3.29Å; D139-A145 PolarHBondContact OD1-N 2.87Å; D139-N214 PolarHBondContact N-O 2.91Å; D139-N214 WeakPolarHBondContact O-CB 3.46Å; D139-L216 HydrophobicContact CB-CD1 3.68Å; D139-L216 HydrophobicContact CB-CG 3.85Å; D139-L216 VanDerWaalsContact CG-CD1 3.44Å
140	D	88.5	Confident	86.4	Confident	68 Å²	68	65.5 Å²	65.5	36%	0.364	32%	0.324	S	S	.	.			trans	-137	131.1	179.5	-179.3	-12.8	0	0	0	109.3	L142 K143 R144	D140-L142 PolarHBondContact O-N 3.12Å; D140-L142 VanDerWaalsContact O-N 3.1Å; D140-L142 PolarHBondContact OD1-N 3.36Å; D140-K143 HydrophobicContact CB-CB 4.39Å; D140-K143 CarbonylContact O-C 3.45Å; D140-K143 PolarHBondContact O-N 2.88Å; D140-R144 WeakPolarHBondContact O-CA 3.48Å; D140-R144 WeakPolarHBondContact O-CD 3.44Å; D140-R144 PolarHBondContact O-N 2.88Å
141	T	82.8	Confident	87.3	Confident	101 Å²	101	62.2 Å²	62.2	62%	0.62	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.2	-33	172.3	56.4	0	0	0	0	115
142	L	81.1	Confident	88	Confident	154 Å²	154	67.7 Å²	67.7	81%	0.806	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-20.7	178.2	-62.7	177.6	0	0	0	113.2	D140	D140-L142 PolarHBondContact O-N 3.12Å; D140-L142 VanDerWaalsContact O-N 3.1Å; D140-L142 PolarHBondContact OD1-N 3.36Å
143	K	82.6	Confident	87.9	Confident	155 Å²	155	62.5 Å²	62.5	67%	0.674	31%	0.313	S	S	*	.	S	Bend	trans	-143.5	66	-176.1	-69.3	-174.2	-179.5	178.2	0	110.3	D140 A145	D140-K143 HydrophobicContact CB-CB 4.39Å; D140-K143 CarbonylContact O-C 3.45Å; D140-K143 PolarHBondContact O-N 2.88Å; K143-A145 PolarHBondContact O-N 3.31Å
144	R	87.5	Confident	87.9	Confident	69 Å²	69	65.4 Å²	65.4	26%	0.26	32%	0.324	S	S	.	.			trans	-58.2	134.1	-177.9	-67.9	-70.2	-169.5	168.8	2.8	111.5	D139 D140 L146 R147 E177	D139-R144 VanDerWaalsContact OD1-CA 3.23Å; D139-R144 WeakPolarHBondContact OD1-CA 3.47Å; D139-R144 WeakPolarHBondContact OD2-CD 3.26Å; D139-R144 IonicContact OD2-CZ 2.69Å; D139-R144 IonicContact OD2-NE 2.75Å; D139-R144 IonicContact OD2-NH1 3.74Å; D139-R144 PolarHBondContact OD2-NH1 3.29Å; D140-R144 WeakPolarHBondContact O-CA 3.48Å; D140-R144 WeakPolarHBondContact O-CD 3.44Å; D140-R144 PolarHBondContact O-N 2.88Å; R144-L146 VanDerWaalsContact C-N 3.29Å; R144-L146 PolarHBondContact O-N 3.48Å; R144-R147 HydrophobicContact CB-CG 4.48Å; R144-E177 IonicContact NH1-OE2 3.65Å; R144-E177 PolarHBondContact NH1-OE2 3.23Å
145	A	89.4	Confident	87.3	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	35%	0.345	C	S	.	.	S	Bend	trans	-65.7	-33.6	178	0	0	0	0	0	112.2	D139 K143 Q189 A190 L216	D139-A145 PolarHBondContact OD1-N 2.87Å; K143-A145 PolarHBondContact O-N 3.31Å; A145-Q189 PolarHBondContact O-N 3.42Å; A145-A190 HydrophobicContact CB-CB 3.41Å; A145-A190 VanDerWaalsContact CB-CB 3.41Å; A145-L216 HydrophobicContact CB-CD1 3.84Å
146	L	88.9	Confident	86.9	Confident	2 Å²	2	77.3 Å²	77.3	1%	0.01	37%	0.373	C	S	.	.			trans	-122.5	122.9	173.4	-62.2	-179.9	0	0	0	108.5	R144 F183 I188 I218	R144-L146 VanDerWaalsContact C-N 3.29Å; R144-L146 PolarHBondContact O-N 3.48Å; L146-F183 HydrophobicContact CB-CB 4.28Å; L146-F183 HydrophobicContact CD1-CB 4.47Å; L146-F183 WeakPolarHBondContact CD1-O 3.34Å; L146-I188 HydrophobicContact CD2-CG1 4.22Å; L146-I218 HydrophobicContact CD1-CD1 4.19Å; L146-I218 HydrophobicContact CD1-CG1 4.43Å; L146-I218 HydrophobicContact CD2-CD1 4.3Å; L146-I218 HydrophobicContact CG-CD1 4.11Å
147	R	85.5	Confident	86.4	Confident	165 Å²	165	77.2 Å²	77.2	62%	0.623	37%	0.373	S	S	*	.			trans	-108.3	16.3	-171.5	-59.9	-169.9	-175.1	175.3	5.6	114.9	R144	R144-R147 HydrophobicContact CB-CG 4.48Å
148	G	79.3	Confident	86	Confident	28 Å²	28	77 Å²	77	29%	0.289	37%	0.374	S	S	.	.	S	Bend	trans	-84.5	-157.4	171.5	0	0	0	0	0	111.9	C184	G148-C184 CarbonylContact C-O 3.55Å; G148-C184 WeakPolarHBondContact CA-O 3.5Å; G148-C184 PolarHBondContact N-O 3.19Å
149	V	77.8	Confident	85.5	Confident	59 Å²	59	75.4 Å²	75.4	36%	0.358	36%	0.364	S	S	.	.			trans	-63.5	153.2	176.8	-57	0	0	0	0	112.4	Y171 C184	V149-Y171 HydrophobicContact CB-CE2 4.5Å; V149-Y171 HydrophobicContact CG1-CE2 4.29Å; V149-Y171 HydrophobicContact CG2-CD2 4.42Å; V149-Y171 HydrophobicContact CG2-CE2 3.76Å; V149-Y171 PolarHBondContact N-OH 3.17Å; V149-C184 HydrophobicContact CG2-CB 4.04Å; V149-C184 PolarHBondContact O-N 3.39Å
150	S	87	Confident	85.1	Confident	75 Å²	75	79 Å²	79	52%	0.524	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	154.3	170	63.7	0	0	0	0	112.1	C182	S150-C182 CarbonylContact C-O 3.57Å; S150-C182 WeakPolarHBondContact CA-O 3.31Å; S150-C182 VanDerWaalsContact CB-O 3.25Å; S150-C182 WeakPolarHBondContact CB-O 3.32Å
151	F	86.1	Confident	84.7	Confident	46 Å²	46	80.7 Å²	80.7	20%	0.202	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	161.4	176.2	68.4	-82.6	0	0	0	111.4	M157 N165 C182	F151-M157 HydrophobicContact CD2-CE 3.93Å; F151-M157 HydrophobicContact CE2-CE 3.62Å; F151-M157 HydrophobicContact CE2-SD 4.31Å; F151-M157 HydrophobicContact CZ-CE 4.3Å; F151-N165 HydrophobicContact CE1-CB 3.51Å; F151-N165 WeakPolarHBondContact CE1-OD1 3.28Å; F151-N165 HydrophobicContact CZ-CB 3.48Å; F151-N165 VanDerWaalsContact CZ-CB 3.48Å; F151-C182 HydrophobicContact CD1-CB 4.05Å; F151-C182 HydrophobicContact CE1-CB 3.66Å; F151-C182 WeakPolarHBondContact CE1-SG 3.42Å; F151-C182 HydrophobicContact CE2-CB 4.19Å; F151-C182 HydrophobicContact CG-CB 4.47Å; F151-C182 HydrophobicContact CZ-CB 3.74Å; F151-C182 PolarHBondContact N-O 2.76Å; F151-C182 PolarHBondContact O-N 3.43Å
152	F	89.4	Confident	84.9	Confident	135 Å²	135	75.9 Å²	75.9	59%	0.592	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.7	148.4	-177.5	56.1	-93.3	0	0	0	112.5	Y154 A180 E181	F152-Y154 HydrophobicContact CD2-CD2 4.03Å; F152-Y154 AromaticContact CD2-CE2 3.42Å; F152-Y154 HydrophobicContact CD2-CE2 3.42Å; F152-Y154 VanDerWaalsContact CD2-CE2 3.42Å; F152-Y154 AromaticContact CD2-CZ 3.85Å; F152-Y154 HydrophobicContact CE2-CD2 4.5Å; F152-Y154 AromaticContact CE2-CE2 3.77Å; F152-Y154 HydrophobicContact CE2-CE2 3.77Å; F152-Y154 HydrophobicContact CG-CE2 4.33Å; F152-A180 CarbonylContact C-O 3.58Å; F152-A180 VanDerWaalsContact CA-O 3.32Å; F152-A180 WeakPolarHBondContact CA-O 3.3Å; F152-E181 HydrophobicContact CB-CB 4.49Å; F152-E181 HydrophobicContact CB-CG 4.03Å
153	D	85	Confident	85.1	Confident	33 Å²	33	69.8 Å²	69.8	18%	0.176	32%	0.319	C	S	.	.			trans	-148.2	88.2	177.4	-168	-32.4	0	0	0	110.8	K155 K156 M157 R161 A180	D153-K155 PolarHBondContact O-N 2.55Å; D153-K155 PolarHBondContact OD1-N 3.34Å; D153-K156 PolarHBondContact O-N 3.11Å; D153-K156 PolarHBondContact OD1-N 3.4Å; D153-M157 HydrophobicContact CB-CB 4.26Å; D153-M157 HydrophobicContact CB-CE 4.25Å; D153-M157 VanDerWaalsContact O-CB 3.31Å; D153-M157 WeakPolarHBondContact O-CB 3.38Å; D153-M157 PolarHBondContact O-N 3.03Å; D153-M157 VanDerWaalsContact O-N 3.12Å; D153-R161 IonicContact OD2-CZ 3.15Å; D153-R161 IonicContact OD2-NE 2.7Å; D153-R161 PolarHBondContact OD2-NE 2.78Å; D153-R161 VanDerWaalsContact OD2-NE 3.16Å; D153-R161 IonicContact OD2-NH2 2.75Å; D153-R161 PolarHBondContact OD2-NH2 3.15Å; D153-A180 PolarHBondContact N-O 3.49Å
154	Y	88.8	Confident	84.7	Confident	136 Å²	136	64.4 Å²	64.4	53%	0.533	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	0.3	-176.9	-58.7	-64.7	0	0	0	115.8	F152 A180	F152-Y154 HydrophobicContact CD2-CD2 4.03Å; F152-Y154 AromaticContact CD2-CE2 3.42Å; F152-Y154 HydrophobicContact CD2-CE2 3.42Å; F152-Y154 VanDerWaalsContact CD2-CE2 3.42Å; F152-Y154 AromaticContact CD2-CZ 3.85Å; F152-Y154 HydrophobicContact CE2-CD2 4.5Å; F152-Y154 AromaticContact CE2-CE2 3.77Å; F152-Y154 HydrophobicContact CE2-CE2 3.77Å; F152-Y154 HydrophobicContact CG-CE2 4.33Å; Y154-A180 HydrophobicContact CD1-CB 3.56Å; Y154-A180 HydrophobicContact CE1-CB 3.96Å
155	K	81.3	Confident	84.3	Confident	174 Å²	174	62.6 Å²	62.6	76%	0.757	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.4	-25.8	179.7	-67.2	-174.9	-180	179.6	0	114.6	D153	D153-K155 PolarHBondContact O-N 2.55Å; D153-K155 PolarHBondContact OD1-N 3.34Å
156	K	83.9	Confident	83.9	Confident	143 Å²	143	62.6 Å²	62.6	62%	0.622	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.6	8.1	-171.6	-53.5	177.5	-179.3	175.4	0	113.9	D153 T158 R161	D153-K156 PolarHBondContact O-N 3.11Å; D153-K156 PolarHBondContact OD1-N 3.4Å; K156-T158 PolarHBondContact O-N 3.43Å; K156-R161 WeakPolarHBondContact O-CD 3.23Å
157	M	86.9	Confident	83.3	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	30%	0.3	C	S	.	.			trans	-62.7	128.4	174.9	-170.5	60	79.1	0	0	111	F151 D153 C162 L176 A180 C182 G204	F151-M157 HydrophobicContact CD2-CE 3.93Å; F151-M157 HydrophobicContact CE2-CE 3.62Å; F151-M157 HydrophobicContact CE2-SD 4.31Å; F151-M157 HydrophobicContact CZ-CE 4.3Å; D153-M157 HydrophobicContact CB-CB 4.26Å; D153-M157 HydrophobicContact CB-CE 4.25Å; D153-M157 VanDerWaalsContact O-CB 3.31Å; D153-M157 WeakPolarHBondContact O-CB 3.38Å; D153-M157 PolarHBondContact O-N 3.03Å; D153-M157 VanDerWaalsContact O-N 3.12Å; M157-C162 HydrophobicContact SD-CB 4.22Å; M157-L176 HydrophobicContact CG-CD2 4.27Å; M157-L176 HydrophobicContact SD-CD2 4.44Å; M157-A180 WeakPolarHBondContact CE-O 3.33Å; M157-C182 HydrophobicContact CE-CB 3.59Å; M157-C182 HydrophobicContact SD-CB 4.09Å; M157-G204 VanDerWaalsContact O-CA 3.3Å; M157-G204 WeakPolarHBondContact O-CA 3.45Å; M157-G204 PolarHBondContact O-N 2.9Å
158	T	87.4	Confident	82.4	Confident	24 Å²	24	59.8 Å²	59.8	15%	0.147	29%	0.29	C	S	.	.			trans	-136.7	159	173	69.3	0	0	0	0	108.5	K156 F160 R161 C162 E205	K156-T158 PolarHBondContact O-N 3.43Å; T158-F160 VanDerWaalsContact C-N 3.27Å; T158-F160 PolarHBondContact O-N 3.44Å; T158-R161 PolarHBondContact O-N 3.3Å; T158-R161 WeakPolarHBondContact OG1-CB 3.23Å; T158-R161 PolarHBondContact OG1-N 3.38Å; T158-R161 VanDerWaalsContact OG1-N 3.09Å; T158-C162 PolarHBondContact O-N 3.29Å; T158-C162 VanDerWaalsContact O-N 3.15Å; T158-E205 HydrophobicContact CG2-CB 3.57Å
159	V	85.1	Confident	81.8	Confident	12 Å²	12	62.4 Å²	62.4	7%	0.073	29%	0.291	C	S	.	.	H	α-helix	trans	-50.1	-51.7	173.6	173.7	0	0	0	0	110.4	R161 C162 Q163 L176 N208 T209 Y219	V159-R161 VanDerWaalsContact C-N 3.35Å; V159-R161 PolarHBondContact O-N 3.37Å; V159-C162 PolarHBondContact O-N 3.44Å; V159-Q163 HydrophobicContact CG1-CG 4.27Å; V159-Q163 VanDerWaalsContact O-CG 3.31Å; V159-Q163 WeakPolarHBondContact O-CG 3.35Å; V159-Q163 PolarHBondContact O-N 3.25Å; V159-L176 HydrophobicContact CG2-CD2 4.47Å; V159-N208 HydrophobicContact CG2-CB 4.03Å; V159-T209 VanDerWaalsContact CG2-O 3.25Å; V159-T209 WeakPolarHBondContact CG2-O 3.35Å; V159-Y219 HydrophobicContact CG1-CD1 4.44Å; V159-Y219 HydrophobicContact CG1-CD2 4.47Å; V159-Y219 HydrophobicContact CG1-CE1 3.85Å; V159-Y219 HydrophobicContact CG1-CE2 3.92Å
160	F	81.8	Confident	81.5	Confident	79 Å²	79	59.7 Å²	59.7	35%	0.346	28%	0.275	S	S	.	.	H	α-helix	trans	-54.8	-44.8	176.6	178.7	-100.2	0	0	0	113.1	T158 C162 Q163 D164	T158-F160 VanDerWaalsContact C-N 3.27Å; T158-F160 PolarHBondContact O-N 3.44Å; F160-C162 VanDerWaalsContact C-N 3.31Å; F160-C162 PolarHBondContact O-N 2.88Å; F160-Q163 PolarHBondContact O-N 2.95Å; F160-D164 HydrophobicContact CE1-CB 4.33Å; F160-D164 HydrophobicContact CZ-CB 4.26Å; F160-D164 WeakPolarHBondContact O-CB 3.39Å; F160-D164 PolarHBondContact O-N 3.36Å
161	R	81.9	Confident	80.9	Confident	104 Å²	104	57.1 Å²	57.1	39%	0.392	25%	0.254	S	S	.	.	H	α-helix	trans	-65.9	-32.1	-178	179.7	171.4	174.2	62.4	-6.7	113	D153 K156 T158 V159 N165	D153-R161 IonicContact OD2-CZ 3.15Å; D153-R161 IonicContact OD2-NE 2.7Å; D153-R161 PolarHBondContact OD2-NE 2.78Å; D153-R161 VanDerWaalsContact OD2-NE 3.16Å; D153-R161 IonicContact OD2-NH2 2.75Å; D153-R161 PolarHBondContact OD2-NH2 3.15Å; K156-R161 WeakPolarHBondContact O-CD 3.23Å; T158-R161 PolarHBondContact O-N 3.3Å; T158-R161 WeakPolarHBondContact OG1-CB 3.23Å; T158-R161 PolarHBondContact OG1-N 3.38Å; T158-R161 VanDerWaalsContact OG1-N 3.09Å; V159-R161 VanDerWaalsContact C-N 3.35Å; V159-R161 PolarHBondContact O-N 3.37Å; R161-N165 WeakPolarHBondContact O-CB 3.33Å; R161-N165 PolarHBondContact O-N 3.11Å
162	C	86.1	Confident	80.6	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-75.8	-49.8	174.9	-178.3	0	0	0	0	111.4	M157 T158 V159 F160 D164 N165 C166 L176 C182	M157-C162 HydrophobicContact SD-CB 4.22Å; T158-C162 PolarHBondContact O-N 3.29Å; T158-C162 VanDerWaalsContact O-N 3.15Å; V159-C162 PolarHBondContact O-N 3.44Å; F160-C162 VanDerWaalsContact C-N 3.31Å; F160-C162 PolarHBondContact O-N 2.88Å; C162-D164 VanDerWaalsContact C-N 3.35Å; C162-D164 PolarHBondContact O-N 3.28Å; C162-N165 PolarHBondContact O-N 2.91Å; C162-C166 PolarHBondContact O-N 3.14Å; C162-C166 PolarHBondContact O-SG 3.39Å; C162-C166 VanDerWaalsContact O-SG 3.36Å; C162-L176 HydrophobicContact CB-CD1 3.84Å; C162-L176 HydrophobicContact CB-CD2 3.57Å; C162-L176 HydrophobicContact CB-CG 3.64Å; C162-C182 WeakPolarHBondContact CA-SG 3.43Å; C162-C182 HydrophobicContact CB-CB 3.67Å; C162-C182 WeakPolarHBondContact CB-SG 3.23Å; C162-C182 WeakPolarHBondContact SG-CB 3.41Å; C162-C182 CovalentContact SG-SG 2.02Å; C162-C182 PolarHBondContact SG-SG 3.44Å
163	Q	85.8	Confident	80.5	Confident	27 Å²	27	55 Å²	55	13%	0.126	25%	0.247	C	C	.	.	H	α-helix	trans	-53.3	-50.9	175.6	-69.9	169.6	-19.4	0	0	111.4	A131 V159 F160 N165 C166 A167 A174 Y219 L221	A131-Q163 HydrophobicContact CB-CG 4.02Å; V159-Q163 HydrophobicContact CG1-CG 4.27Å; V159-Q163 VanDerWaalsContact O-CG 3.31Å; V159-Q163 WeakPolarHBondContact O-CG 3.35Å; V159-Q163 PolarHBondContact O-N 3.25Å; F160-Q163 PolarHBondContact O-N 2.95Å; Q163-N165 PolarHBondContact O-N 3.01Å; Q163-C166 PolarHBondContact O-N 2.92Å; Q163-A167 WeakPolarHBondContact O-CB 3.36Å; Q163-A167 PolarHBondContact O-N 2.66Å; Q163-A174 HydrophobicContact CG-CB 4.43Å; Q163-Y219 HydrophobicContact CG-CG 4.43Å; Q163-Y219 VanDerWaalsContact NE2-CG 3.34Å; Q163-L221 HydrophobicContact CB-CD2 3.84Å; Q163-L221 HydrophobicContact CG-CD2 3.8Å
164	D	74.4	Confident	80.9	Confident	42 Å²	42	53.5 Å²	53.5	23%	0.225	24%	0.238	C	C	.	.	H	α-helix	trans	-59.1	-44	179.2	-174.9	56.9	0	0	0	112.4	F160 C162 A167 E168 L526	F160-D164 HydrophobicContact CE1-CB 4.33Å; F160-D164 HydrophobicContact CZ-CB 4.26Å; F160-D164 WeakPolarHBondContact O-CB 3.39Å; F160-D164 PolarHBondContact O-N 3.36Å; C162-D164 VanDerWaalsContact C-N 3.35Å; C162-D164 PolarHBondContact O-N 3.28Å; D164-A167 PolarHBondContact O-N 2.85Å; D164-E168 WeakPolarHBondContact O-CB 3.48Å; D164-E168 PolarHBondContact O-N 3.48Å; D164-L526 WeakPolarHBondContact OD1-CD1 3.32Å; D164-L526 VanDerWaalsContact OD1-CD2 3.29Å; D164-L526 WeakPolarHBondContact OD1-CD2 2.78Å; D164-L526 WeakPolarHBondContact OD2-CD1 3.23Å
165	N	79.3	Confident	81.2	Confident	30 Å²	30	47 Å²	47	16%	0.16	21%	0.213	C	C	.	.	H	α-helix	trans	-67.8	-42.1	-179.3	-166.7	-83	0	0	0	112.7	F151 R161 C162 Q163 R169	F151-N165 HydrophobicContact CE1-CB 3.51Å; F151-N165 WeakPolarHBondContact CE1-OD1 3.28Å; F151-N165 HydrophobicContact CZ-CB 3.48Å; F151-N165 VanDerWaalsContact CZ-CB 3.48Å; R161-N165 WeakPolarHBondContact O-CB 3.33Å; R161-N165 PolarHBondContact O-N 3.11Å; C162-N165 PolarHBondContact O-N 2.91Å; Q163-N165 PolarHBondContact O-N 3.01Å; N165-R169 VanDerWaalsContact CG-NH1 3.28Å; N165-R169 PolarHBondContact ND2-NH1 2.91Å; N165-R169 VanDerWaalsContact O-CD 3.29Å; N165-R169 WeakPolarHBondContact O-CD 3.46Å; N165-R169 WeakPolarHBondContact O-CG 3.29Å; N165-R169 PolarHBondContact O-N 2.83Å; N165-R169 PolarHBondContact O-NH1 2.82Å; N165-R169 VanDerWaalsContact OD1-CZ 3.25Å; N165-R169 PolarHBondContact OD1-NE 2.81Å; N165-R169 PolarHBondContact OD1-NH1 3.14Å
166	C	80.3	Confident	81.9	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-69.9	-41.3	176.3	-63.6	0	0	0	0	111.7	C162 Q163 R169 G170 Y171 A174 C184 L221	C162-C166 PolarHBondContact O-N 3.14Å; C162-C166 PolarHBondContact O-SG 3.39Å; C162-C166 VanDerWaalsContact O-SG 3.36Å; Q163-C166 PolarHBondContact O-N 2.92Å; C166-R169 CarbonylContact O-C 3.49Å; C166-R169 WeakPolarHBondContact O-CA 3.17Å; C166-R169 PolarHBondContact O-N 2.86Å; C166-R169 VanDerWaalsContact O-N 3.15Å; C166-G170 PolarHBondContact O-N 3.47Å; C166-Y171 PolarHBondContact O-N 3.37Å; C166-A174 HydrophobicContact CB-CB 3.83Å; C166-C184 WeakPolarHBondContact CA-SG 3.36Å; C166-C184 HydrophobicContact CB-CB 3.7Å; C166-C184 WeakPolarHBondContact CB-SG 3.27Å; C166-C184 VanDerWaalsContact SG-CA 3.5Å; C166-C184 WeakPolarHBondContact SG-CB 3.35Å; C166-C184 CovalentContact SG-SG 2.03Å; C166-C184 PolarHBondContact SG-SG 3.28Å; C166-L221 HydrophobicContact CB-CD1 3.51Å
167	A	75.4	Confident	82.5	Confident	18 Å²	18	32.4 Å²	32.4	15%	0.149	15%	0.15	C	C	.	.	H	α-helix	trans	-68	-42.9	178.1	0	0	0	0	0	111.4	Q163 D164 R169 G170 L221 L223 S227	Q163-A167 WeakPolarHBondContact O-CB 3.36Å; Q163-A167 PolarHBondContact O-N 2.66Å; D164-A167 PolarHBondContact O-N 2.85Å; A167-R169 PolarHBondContact O-N 2.82Å; A167-R169 VanDerWaalsContact O-N 3.15Å; A167-G170 PolarHBondContact O-N 2.84Å; A167-L221 HydrophobicContact CB-CB 4.28Å; A167-L221 HydrophobicContact CB-CD1 3.8Å; A167-L223 HydrophobicContact CB-CD2 4.01Å; A167-S227 WeakPolarHBondContact O-CB 3.42Å; A167-S227 PolarHBondContact O-OG 2.91Å
168	E	67.1	Low	82.8	Confident	91 Å²	91	37.1 Å²	37.1	43%	0.425	17%	0.17	S	C	.	.	H	α-helix	trans	-56	-30.2	171.7	-177.1	-174	-134	0	0	111.6	D164 R230	D164-E168 WeakPolarHBondContact O-CB 3.48Å; D164-E168 PolarHBondContact O-N 3.48Å; E168-R230 PolarHBondContact O-NE 3.13Å; E168-R230 PolarHBondContact O-NH1 3.09Å; E168-R230 PolarHBondContact O-NH2 2.97Å
169	R	67.9	Low	83	Confident	82 Å²	82	36 Å²	36	31%	0.309	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-3.3	177.2	-73.6	160	-173.6	59.1	9.7	114.4	N165 C166 A167 Y171	N165-R169 VanDerWaalsContact CG-NH1 3.28Å; N165-R169 PolarHBondContact ND2-NH1 2.91Å; N165-R169 VanDerWaalsContact O-CD 3.29Å; N165-R169 WeakPolarHBondContact O-CD 3.46Å; N165-R169 WeakPolarHBondContact O-CG 3.29Å; N165-R169 PolarHBondContact O-N 2.83Å; N165-R169 PolarHBondContact O-NH1 2.82Å; N165-R169 VanDerWaalsContact OD1-CZ 3.25Å; N165-R169 PolarHBondContact OD1-NE 2.81Å; N165-R169 PolarHBondContact OD1-NH1 3.14Å; C166-R169 CarbonylContact O-C 3.49Å; C166-R169 WeakPolarHBondContact O-CA 3.17Å; C166-R169 PolarHBondContact O-N 2.86Å; C166-R169 VanDerWaalsContact O-N 3.15Å; A167-R169 PolarHBondContact O-N 2.82Å; A167-R169 VanDerWaalsContact O-N 3.15Å; R169-Y171 HydrophobicContact CB-CD2 3.67Å; R169-Y171 HydrophobicContact CB-CE2 3.8Å
170	G	69.7	Low	83.3	Confident	2 Å²	2	35.4 Å²	35.4	2%	0.021	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	81	13	177.2	0	0	0	0	0	115.8	C166 A167 H186 L223 S227	C166-G170 PolarHBondContact O-N 3.47Å; A167-G170 PolarHBondContact O-N 2.84Å; G170-H186 PolarHBondContact O-CE1 3.12Å; G170-H186 VanDerWaalsContact O-CE1 3.29Å; G170-L223 WeakPolarHBondContact O-CD1 3.4Å; G170-S227 WeakPolarHBondContact CA-O 3.35Å
171	Y	75.3	Confident	83.9	Confident	21 Å²	21	33.7 Å²	33.7	8%	0.082	15%	0.153	C	C	.	.			trans	-74.5	129.9	174.8	-71.4	-73.8	0	0	0	111	V149 C166 R169 Y173 C184 H186 L221 L223	V149-Y171 HydrophobicContact CB-CE2 4.5Å; V149-Y171 HydrophobicContact CG1-CE2 4.29Å; V149-Y171 HydrophobicContact CG2-CD2 4.42Å; V149-Y171 HydrophobicContact CG2-CE2 3.76Å; V149-Y171 PolarHBondContact N-OH 3.17Å; C166-Y171 PolarHBondContact O-N 3.37Å; R169-Y171 HydrophobicContact CB-CD2 3.67Å; R169-Y171 HydrophobicContact CB-CE2 3.8Å; Y171-Y173 PolarHBondContact O-N 3.13Å; Y171-C184 HydrophobicContact CD1-CB 4.1Å; Y171-C184 HydrophobicContact CD2-CB 3.32Å; Y171-C184 HydrophobicContact CE2-CB 3.88Å; Y171-C184 HydrophobicContact CG-CB 3.45Å; Y171-C184 VanDerWaalsContact CG-CB 3.45Å; Y171-H186 AromaticContact CD1-CD2 3.49Å; Y171-H186 VanDerWaalsContact CD1-CD2 3.49Å; Y171-H186 WeakPolarHBondContact CD1-CD2 3.38Å; Y171-H186 AromaticContact CD1-CE1 3.8Å; Y171-H186 AromaticContact CD1-NE2 3.29Å; Y171-H186 VanDerWaalsContact CD1-NE2 3.29Å; Y171-H186 WeakPolarHBondContact CD1-NE2 3.29Å; Y171-H186 AromaticContact CE1-CD2 3.58Å; Y171-H186 AromaticContact CE1-NE2 3.32Å; Y171-H186 VanDerWaalsContact CE1-NE2 3.32Å; Y171-H186 WeakPolarHBondContact CE1-NE2 3.45Å; Y171-L221 WeakPolarHBondContact O-CD1 3.28Å; Y171-L223 WeakPolarHBondContact O-CD2 3.14Å
172	M	80.6	Confident	84.5	Confident	95 Å²	95	28.7 Å²	28.7	47%	0.468	13%	0.134	S	C	.	.	S	Bend	trans	-66.5	-19.9	-179.9	-65.4	-170.7	-178.9	0	0	113.8	G185 R220 L221 L223	M172-G185 PolarHBondContact N-O 2.87Å; M172-R220 WeakPolarHBondContact O-CA 3.35Å; M172-L221 PolarHBondContact O-N 2.83Å; M172-L223 HydrophobicContact CG-CD1 4.29Å
173	Y	86.9	Confident	84.9	Confident	43 Å²	43	29.3 Å²	29.3	17%	0.169	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	142.2	-177.7	-57.7	-82.5	0	0	0	112	I134 Y171 C184 G185 H186 I188 I218 Y219 R220	I134-Y173 HydrophobicContact CG1-CE1 4.48Å; Y171-Y173 PolarHBondContact O-N 3.13Å; Y173-C184 WeakPolarHBondContact O-CA 3.43Å; Y173-G185 WeakPolarHBondContact CB-O 3.42Å; Y173-G185 PolarHBondContact N-O 3.36Å; Y173-G185 PolarHBondContact O-N 3.25Å; Y173-H186 WeakPolarHBondContact CE2-O 3.4Å; Y173-I188 HydrophobicContact CD1-CD1 3.85Å; Y173-I188 HydrophobicContact CD1-CG1 3.97Å; Y173-I188 HydrophobicContact CD2-CG1 4.21Å; Y173-I188 HydrophobicContact CE1-CD1 3.73Å; Y173-I188 HydrophobicContact CE1-CG1 4.06Å; Y173-I188 HydrophobicContact CE2-CG1 4.32Å; Y173-I188 HydrophobicContact CG-CD1 4.43Å; Y173-I188 HydrophobicContact CG-CG1 4.04Å; Y173-I218 HydrophobicContact CD1-CG2 3.97Å; Y173-I218 HydrophobicContact CG-CG2 4.46Å; Y173-Y219 VanDerWaalsContact CA-O 3.28Å; Y173-Y219 WeakPolarHBondContact CA-O 3.38Å; Y173-R220 HydrophobicContact CD1-CB 4.08Å; Y173-R220 HydrophobicContact CD1-CG 4.48Å; Y173-R220 HydrophobicContact CE1-CB 3.89Å; Y173-R220 HydrophobicContact CE1-CG 4.05Å
174	A	92.9	Very high	85.1	Confident	0 Å²	0	28 Å²	28	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	136.6	165.3	0	0	0	0	0	109.2	Q163 C166 F183 I218 Y219 L221	Q163-A174 HydrophobicContact CG-CB 4.43Å; C166-A174 HydrophobicContact CB-CB 3.83Å; A174-F183 CarbonylContact C-O 3.35Å; A174-F183 WeakPolarHBondContact CA-O 3.35Å; A174-I218 CarbonylContact O-C 3.54Å; A174-I218 WeakPolarHBondContact O-CA 3.25Å; A174-Y219 PolarHBondContact N-O 3.2Å; A174-Y219 PolarHBondContact O-N 3.38Å; A174-L221 HydrophobicContact CB-CD1 3.97Å; A174-L221 HydrophobicContact CB-CD2 3.84Å; A174-L221 HydrophobicContact CB-CG 4.28Å
175	G	95.6	Very high	85.5	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	134.9	175.9	0	0	0	0	0	110.3	C182 F183 S217	G175-C182 CarbonylContact O-C 3.44Å; G175-C182 WeakPolarHBondContact O-CA 3.48Å; G175-F183 PolarHBondContact N-O 3.03Å; G175-F183 PolarHBondContact O-N 3.09Å; G175-S217 WeakPolarHBondContact CA-O 3.23Å
176	L	96.1	Very high	85.6	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	134.8	176.4	-65.9	96.8	0	0	0	110.8	M157 V159 C162 E181 C210 G211 L216 S217 Y219	M157-L176 HydrophobicContact CG-CD2 4.27Å; M157-L176 HydrophobicContact SD-CD2 4.44Å; V159-L176 HydrophobicContact CG2-CD2 4.47Å; C162-L176 HydrophobicContact CB-CD1 3.84Å; C162-L176 HydrophobicContact CB-CD2 3.57Å; C162-L176 HydrophobicContact CB-CG 3.64Å; L176-E181 WeakPolarHBondContact CA-O 3.49Å; L176-C210 HydrophobicContact CB-CB 4.07Å; L176-C210 HydrophobicContact CD2-CB 4.17Å; L176-C210 WeakPolarHBondContact CD2-SG 3.37Å; L176-G211 WeakPolarHBondContact O-CA 3.37Å; L176-G211 PolarHBondContact O-N 2.92Å; L176-L216 WeakPolarHBondContact O-CA 3.49Å; L176-S217 PolarHBondContact N-O 3.06Å; L176-S217 VanDerWaalsContact N-O 3.08Å; L176-S217 PolarHBondContact O-N 2.76Å; L176-Y219 HydrophobicContact CD1-CD2 3.86Å; L176-Y219 HydrophobicContact CD1-CE2 3.65Å
177	E	95.6	Very high	85.7	Confident	11 Å²	11	34.2 Å²	34.2	5%	0.051	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	149.6	179.9	-151.7	-170	166.6	0	0	110.9	R144 G179 A180 E181 F183 C210 G212 N214 L216	R144-E177 IonicContact NH1-OE2 3.65Å; R144-E177 PolarHBondContact NH1-OE2 3.23Å; E177-G179 PolarHBondContact O-N 2.92Å; E177-A180 PolarHBondContact O-N 3.24Å; E177-A180 VanDerWaalsContact O-N 3.11Å; E177-E181 HydrophobicContact CB-CB 4.25Å; E177-E181 PolarHBondContact N-O 3.05Å; E177-E181 PolarHBondContact O-N 3.16Å; E177-F183 HydrophobicContact CB-CD2 4.27Å; E177-F183 HydrophobicContact CB-CE2 3.77Å; E177-F183 WeakPolarHBondContact OE2-CE2 3.32Å; E177-C210 CarbonylContact C-O 3.6Å; E177-G212 WeakPolarHBondContact CG-O 3.18Å; E177-N214 WeakPolarHBondContact OE1-CA 3.33Å; E177-N214 PolarHBondContact OE1-N 2.63Å; E177-L216 HydrophobicContact CB-CD2 3.81Å; E177-L216 HydrophobicContact CG-CD2 4.4Å
178	F	94.2	Very high	86.3	Confident	98 Å²	98	35.4 Å²	35.4	43%	0.43	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	20.7	168.2	-154.3	-113	0	0	0	116.3	A180 M200 G212 A213	F178-A180 PolarHBondContact O-N 2.87Å; F178-M200 HydrophobicContact CD2-CE 3.63Å; F178-M200 HydrophobicContact CD2-SD 3.71Å; F178-M200 HydrophobicContact CE2-CE 3.81Å; F178-M200 HydrophobicContact CE2-SD 4.17Å; F178-M200 HydrophobicContact CG-CE 4.01Å; F178-M200 HydrophobicContact CG-SD 4.39Å; F178-M200 HydrophobicContact CZ-CE 4.33Å; F178-M200 WeakPolarHBondContact O-CE 3.47Å; F178-G212 PolarHBondContact N-O 3.44Å; F178-A213 HydrophobicContact CD2-CB 4.24Å; F178-A213 HydrophobicContact CE2-CB 4.42Å
179	G	91.2	Very high	87.2	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	-8	-175.9	0	0	0	0	0	115.8	E177 E201 C202 K203 C210	E177-G179 PolarHBondContact O-N 2.92Å; G179-E201 WeakPolarHBondContact CA-O 3.43Å; G179-C202 WeakPolarHBondContact O-CA 3.38Å; G179-K203 WeakPolarHBondContact O-CG 3.31Å; G179-K203 PolarHBondContact O-N 2.99Å; G179-C210 WeakPolarHBondContact CA-O 3.33Å; G179-C210 PolarHBondContact N-O 3.35Å
180	A	91.8	Very high	88.3	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.7	-12.2	-165.1	0	0	0	0	0	114.9	F152 D153 Y154 M157 E177 F178 K203	F152-A180 CarbonylContact C-O 3.58Å; F152-A180 VanDerWaalsContact CA-O 3.32Å; F152-A180 WeakPolarHBondContact CA-O 3.3Å; D153-A180 PolarHBondContact N-O 3.49Å; Y154-A180 HydrophobicContact CD1-CB 3.56Å; Y154-A180 HydrophobicContact CE1-CB 3.96Å; M157-A180 WeakPolarHBondContact CE-O 3.33Å; E177-A180 PolarHBondContact O-N 3.24Å; E177-A180 VanDerWaalsContact O-N 3.11Å; F178-A180 PolarHBondContact O-N 2.87Å; A180-K203 HydrophobicContact CB-CG 3.93Å
181	E	93.9	Very high	89.3	Confident	43 Å²	43	37.2 Å²	37.2	20%	0.201	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	146.7	-170.3	-48.7	-167.1	170.7	0	0	110	F152 L176 E177 F183	F152-E181 HydrophobicContact CB-CB 4.49Å; F152-E181 HydrophobicContact CB-CG 4.03Å; L176-E181 WeakPolarHBondContact CA-O 3.49Å; E177-E181 HydrophobicContact CB-CB 4.25Å; E177-E181 PolarHBondContact N-O 3.05Å; E177-E181 PolarHBondContact O-N 3.16Å; E181-F183 HydrophobicContact CB-CE2 3.79Å; E181-F183 HydrophobicContact CB-CZ 4.41Å
182	C	94.8	Very high	90.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	135.5	-176.3	175.1	0	0	0	0	109.7	S150 F151 M157 C162 G175	S150-C182 CarbonylContact C-O 3.57Å; S150-C182 WeakPolarHBondContact CA-O 3.31Å; S150-C182 VanDerWaalsContact CB-O 3.25Å; S150-C182 WeakPolarHBondContact CB-O 3.32Å; F151-C182 HydrophobicContact CD1-CB 4.05Å; F151-C182 HydrophobicContact CE1-CB 3.66Å; F151-C182 WeakPolarHBondContact CE1-SG 3.42Å; F151-C182 HydrophobicContact CE2-CB 4.19Å; F151-C182 HydrophobicContact CG-CB 4.47Å; F151-C182 HydrophobicContact CZ-CB 3.74Å; F151-C182 PolarHBondContact N-O 2.76Å; F151-C182 PolarHBondContact O-N 3.43Å; M157-C182 HydrophobicContact CE-CB 3.59Å; M157-C182 HydrophobicContact SD-CB 4.09Å; C162-C182 WeakPolarHBondContact CA-SG 3.43Å; C162-C182 HydrophobicContact CB-CB 3.67Å; C162-C182 WeakPolarHBondContact CB-SG 3.23Å; C162-C182 WeakPolarHBondContact SG-CB 3.41Å; C162-C182 CovalentContact SG-SG 2.02Å; C162-C182 PolarHBondContact SG-SG 3.44Å; G175-C182 CarbonylContact O-C 3.44Å; G175-C182 WeakPolarHBondContact O-CA 3.48Å
183	F	94.1	Very high	90.8	Very high	12 Å²	12	37.9 Å²	37.9	5%	0.053	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	134.3	-178.5	-62.2	-96.2	0	0	0	109.1	L146 A174 G175 E177 E181 L216	L146-F183 HydrophobicContact CB-CB 4.28Å; L146-F183 HydrophobicContact CD1-CB 4.47Å; L146-F183 WeakPolarHBondContact CD1-O 3.34Å; A174-F183 CarbonylContact C-O 3.35Å; A174-F183 WeakPolarHBondContact CA-O 3.35Å; G175-F183 PolarHBondContact N-O 3.03Å; G175-F183 PolarHBondContact O-N 3.09Å; E177-F183 HydrophobicContact CB-CD2 4.27Å; E177-F183 HydrophobicContact CB-CE2 3.77Å; E177-F183 WeakPolarHBondContact OE2-CE2 3.32Å; E181-F183 HydrophobicContact CB-CE2 3.79Å; E181-F183 HydrophobicContact CB-CZ 4.41Å; F183-L216 HydrophobicContact CB-CD2 4.29Å; F183-L216 HydrophobicContact CD2-CD2 3.57Å; F183-L216 HydrophobicContact CE2-CD2 4.28Å; F183-L216 HydrophobicContact CG-CD2 4.19Å
184	C	89.5	Confident	91	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	154.8	179.3	-49.5	0	0	0	0	110.9	G148 V149 C166 Y171 Y173	G148-C184 CarbonylContact C-O 3.55Å; G148-C184 WeakPolarHBondContact CA-O 3.5Å; G148-C184 PolarHBondContact N-O 3.19Å; V149-C184 HydrophobicContact CG2-CB 4.04Å; V149-C184 PolarHBondContact O-N 3.39Å; C166-C184 WeakPolarHBondContact CA-SG 3.36Å; C166-C184 HydrophobicContact CB-CB 3.7Å; C166-C184 WeakPolarHBondContact CB-SG 3.27Å; C166-C184 VanDerWaalsContact SG-CA 3.5Å; C166-C184 WeakPolarHBondContact SG-CB 3.35Å; C166-C184 CovalentContact SG-SG 2.03Å; C166-C184 PolarHBondContact SG-SG 3.28Å; Y171-C184 HydrophobicContact CD1-CB 4.1Å; Y171-C184 HydrophobicContact CD2-CB 3.32Å; Y171-C184 HydrophobicContact CE2-CB 3.88Å; Y171-C184 HydrophobicContact CG-CB 3.45Å; Y171-C184 VanDerWaalsContact CG-CB 3.45Å; Y173-C184 WeakPolarHBondContact O-CA 3.43Å
185	G	84.2	Confident	90.9	Very high	2 Å²	2	42.3 Å²	42.3	2%	0.021	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.6	162.3	173.3	0	0	0	0	0	114.5	M172 Y173	M172-G185 PolarHBondContact N-O 2.87Å; Y173-G185 WeakPolarHBondContact CB-O 3.42Å; Y173-G185 PolarHBondContact N-O 3.36Å; Y173-G185 PolarHBondContact O-N 3.25Å
186	H	79.8	Confident	90.7	Very high	59 Å²	59	46.2 Å²	46.2	27%	0.273	25%	0.248	S	C	.	.	S	Bend	trans	-95	-18.5	176.2	-62.1	-81.9	0	0	0	113.5	G170 Y171 Y173	G170-H186 PolarHBondContact O-CE1 3.12Å; G170-H186 VanDerWaalsContact O-CE1 3.29Å; Y171-H186 AromaticContact CD1-CD2 3.49Å; Y171-H186 VanDerWaalsContact CD1-CD2 3.49Å; Y171-H186 WeakPolarHBondContact CD1-CD2 3.38Å; Y171-H186 AromaticContact CD1-CE1 3.8Å; Y171-H186 AromaticContact CD1-NE2 3.29Å; Y171-H186 VanDerWaalsContact CD1-NE2 3.29Å; Y171-H186 WeakPolarHBondContact CD1-NE2 3.29Å; Y171-H186 AromaticContact CE1-CD2 3.58Å; Y171-H186 AromaticContact CE1-NE2 3.32Å; Y171-H186 VanDerWaalsContact CE1-NE2 3.32Å; Y171-H186 WeakPolarHBondContact CE1-NE2 3.45Å; Y173-H186 WeakPolarHBondContact CE2-O 3.4Å
187	K	82.9	Confident	90.5	Very high	142 Å²	142	49.5 Å²	49.5	62%	0.617	26%	0.264	S	S	*	.	S	Bend	trans	-142.7	143.3	178.8	-59.9	179	-176.4	171.4	0	108.7
188	I	87.8	Confident	90.4	Very high	42 Å²	42	49.4 Å²	49.4	22%	0.215	26%	0.264	C	S	.	.			trans	-88.4	123.8	173.2	-50.9	170.6	0	0	0	108.4	I134 Y137 L146 Y173 I218	I134-I188 HydrophobicContact CG2-CD1 4.2Å; Y137-I188 HydrophobicContact CD1-CG2 3.55Å; Y137-I188 HydrophobicContact CE1-CB 4.5Å; Y137-I188 HydrophobicContact CE1-CD1 4.33Å; Y137-I188 HydrophobicContact CE1-CG2 3.5Å; Y137-I188 HydrophobicContact CE2-CD1 4.08Å; Y137-I188 HydrophobicContact CG-CG2 4.13Å; L146-I188 HydrophobicContact CD2-CG1 4.22Å; Y173-I188 HydrophobicContact CD1-CD1 3.85Å; Y173-I188 HydrophobicContact CD1-CG1 3.97Å; Y173-I188 HydrophobicContact CD2-CG1 4.21Å; Y173-I188 HydrophobicContact CE1-CD1 3.73Å; Y173-I188 HydrophobicContact CE1-CG1 4.06Å; Y173-I188 HydrophobicContact CE2-CG1 4.32Å; Y173-I188 HydrophobicContact CG-CD1 4.43Å; Y173-I188 HydrophobicContact CG-CG1 4.04Å; I188-I218 HydrophobicContact CD1-CD1 4.35Å; I188-I218 HydrophobicContact CD1-CG2 3.82Å; I188-I218 HydrophobicContact CG1-CD1 4.25Å; I188-I218 HydrophobicContact CG1-CG2 4.26Å; I188-I218 HydrophobicContact CG2-CD1 3.8Å
189	Q	86.8	Confident	90.4	Very high	97 Å²	97	50.1 Å²	50.1	45%	0.453	27%	0.272	S	S	.	.			trans	-116.7	26	-171.5	-66.7	177.1	59.5	0	0	113.4	A145	A145-Q189 PolarHBondContact O-N 3.42Å
190	A	90.9	Very high	90.4	Very high	24 Å²	24	52.1 Å²	52.1	20%	0.198	28%	0.282	C	S	.	.	S	Bend	trans	-140	159	-178	0	0	0	0	0	111.7	Y137 V138 A145	Y137-A190 WeakPolarHBondContact CD1-O 3.48Å; V138-A190 WeakPolarHBondContact O-CB 3.5Å; A145-A190 HydrophobicContact CB-CB 3.41Å; A145-A190 VanDerWaalsContact CB-CB 3.41Å
191	P	91.3	Very high	90.5	Very high	92 Å²	92	57.4 Å²	57.4	60%	0.597	31%	0.307	S	S	*	.			trans	-73.7	155.9	174.9	31.3	-35.8	0	0	0	112.6	V138	V138-P191 HydrophobicContact CB-CG 4.4Å; V138-P191 HydrophobicContact CG2-CG 4.27Å; V138-P191 PolarHBondContact N-O 3.01Å; V138-P191 VanDerWaalsContact N-O 3.12Å
192	N	93	Very high	90.4	Very high	110 Å²	110	55.4 Å²	55.4	59%	0.588	30%	0.298	S	S	*	.	B	Isolated β-bridge	trans	-59.8	146.5	168	-78.6	-18.5	0	0	0	111.2	C136 Y137	C136-N192 WeakPolarHBondContact O-CA 3.34Å; Y137-N192 WeakPolarHBondContact CE1-OD1 3.22Å; Y137-N192 WeakPolarHBondContact CE2-OD1 3.12Å; Y137-N192 PolarHBondContact OH-OD1 3.24Å
193	A	93.3	Very high	90.1	Very high	21 Å²	21	60.2 Å²	60.2	17%	0.174	32%	0.318	C	S	.	.			trans	-113.4	174.9	168.2	0	0	0	0	0	110.1	C136 V138	C136-A193 HydrophobicContact CB-CB 4.49Å; C136-A193 PolarHBondContact O-N 3.07Å; V138-A193 HydrophobicContact CG2-CB 4.03Å
194	S	92.5	Very high	89.5	Confident	57 Å²	57	61.4 Å²	61.4	40%	0.399	33%	0.334	S	S	.	.			trans	-69.7	138.3	172.7	-179.6	0	0	0	0	110.9	C136 S196 E197	C136-S194 PolarHBondContact SG-O 3.28Å; S194-S196 PolarHBondContact O-N 3.27Å; S194-S196 PolarHBondContact OG-N 2.92Å; S194-S196 PolarHBondContact OG-OG 2.98Å; S194-E197 WeakPolarHBondContact CB-OE1 3.47Å; S194-E197 PolarHBondContact N-OE1 3.46Å; S194-E197 WeakPolarHBondContact O-CB 3.49Å; S194-E197 PolarHBondContact O-N 3.38Å
195	E	90.6	Very high	89.2	Confident	79 Å²	79	64.8 Å²	64.8	37%	0.369	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-26.3	171.6	-71.3	-62.2	129.3	0	0	113.1	Y133 G135 C136 E197 C198	Y133-E195 WeakPolarHBondContact CE1-OE2 3.48Å; Y133-E195 PolarHBondContact OH-OE1 3.5Å; Y133-E195 PolarHBondContact OH-OE2 3.39Å; G135-E195 VanDerWaalsContact CA-OE1 3.23Å; G135-E195 WeakPolarHBondContact CA-OE1 3.31Å; C136-E195 PolarHBondContact N-OE1 3.23Å; E195-E197 PolarHBondContact O-N 3.3Å; E195-C198 PolarHBondContact O-N 3.36Å
196	S	91.1	Very high	89.1	Confident	82 Å²	82	74.3 Å²	74.3	57%	0.573	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-15.5	176.1	60.8	0	0	0	0	114.4	S194 N199	S194-S196 PolarHBondContact O-N 3.27Å; S194-S196 PolarHBondContact OG-N 2.92Å; S194-S196 PolarHBondContact OG-OG 2.98Å; S196-N199 PolarHBondContact O-ND2 3.46Å
197	E	91.3	Very high	89.1	Confident	69 Å²	69	76.2 Å²	76.2	32%	0.322	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-23.3	179.7	-59.6	172.6	-110.9	0	0	112.1	S194 E195 N199 R215	S194-E197 WeakPolarHBondContact CB-OE1 3.47Å; S194-E197 PolarHBondContact N-OE1 3.46Å; S194-E197 WeakPolarHBondContact O-CB 3.49Å; S194-E197 PolarHBondContact O-N 3.38Å; E195-E197 PolarHBondContact O-N 3.3Å; E197-N199 PolarHBondContact O-N 2.84Å; E197-R215 HydrophobicContact CB-CG 4.02Å; E197-R215 IonicContact OE2-CZ 3.26Å; E197-R215 IonicContact OE2-NE 3.48Å; E197-R215 PolarHBondContact OE2-NE 2.91Å; E197-R215 IonicContact OE2-NH2 3.44Å; E197-R215 PolarHBondContact OE2-NH2 3.44Å
198	C	94.1	Very high	89.2	Confident	8 Å²	8	72.6 Å²	72.6	5%	0.054	39%	0.393	C	S	.	.			trans	-88.5	80.1	166.9	-73.3	0	0	0	0	109.4	C136 E195 T209 G211 S217	C136-C198 WeakPolarHBondContact CA-SG 3.24Å; C136-C198 HydrophobicContact CB-CB 3.73Å; C136-C198 WeakPolarHBondContact CB-SG 3.34Å; C136-C198 WeakPolarHBondContact SG-CB 3.13Å; C136-C198 PolarHBondContact SG-N 2.96Å; C136-C198 VanDerWaalsContact SG-N 3.37Å; C136-C198 CovalentContact SG-SG 2.04Å; C136-C198 PolarHBondContact SG-SG 3.48Å; E195-C198 PolarHBondContact O-N 3.36Å; C198-T209 VanDerWaalsContact O-CG2 3.22Å; C198-T209 WeakPolarHBondContact O-CG2 3.4Å; C198-G211 CarbonylContact C-O 3.51Å; C198-G211 WeakPolarHBondContact CA-O 3.24Å; C198-S217 WeakPolarHBondContact CB-OG 3.49Å
199	N	93.2	Very high	89.3	Confident	113 Å²	113	73.5 Å²	73.5	60%	0.604	40%	0.401	S	S	*	.			trans	-128.8	9.4	-170.9	65.1	18.4	0	0	0	115.1	S196 E197 G211	S196-N199 PolarHBondContact O-ND2 3.46Å; E197-N199 PolarHBondContact O-N 2.84Å; N199-G211 PolarHBondContact N-O 2.94Å
200	M	93	Very high	89.5	Confident	43 Å²	43	68.9 Å²	68.9	21%	0.212	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-89.2	129.9	-178.6	-67.8	-176	67.9	0	0	112.3	F178 C210 G211	F178-M200 HydrophobicContact CD2-CE 3.63Å; F178-M200 HydrophobicContact CD2-SD 3.71Å; F178-M200 HydrophobicContact CE2-CE 3.81Å; F178-M200 HydrophobicContact CE2-SD 4.17Å; F178-M200 HydrophobicContact CG-CE 4.01Å; F178-M200 HydrophobicContact CG-SD 4.39Å; F178-M200 HydrophobicContact CZ-CE 4.33Å; F178-M200 WeakPolarHBondContact O-CE 3.47Å; M200-C210 PolarHBondContact O-N 3Å; M200-G211 WeakPolarHBondContact CB-O 3.5Å; M200-G211 PolarHBondContact N-O 3.47Å
201	E	92.3	Very high	89.7	Confident	111 Å²	111	67.8 Å²	67.8	52%	0.519	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	142.9	173.6	-65.6	178.3	-170.8	0	0	112.9	G179 R206	G179-E201 WeakPolarHBondContact CA-O 3.43Å; E201-R206 WeakPolarHBondContact OE2-CB 3.49Å; E201-R206 WeakPolarHBondContact OE2-CG 3.12Å
202	C	91.9	Very high	89.8	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.007	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	133.3	171.6	-54.1	0	0	0	0	112.2	G179 G204 E205 N208 T209 C210	G179-C202 WeakPolarHBondContact O-CA 3.38Å; C202-G204 VanDerWaalsContact C-N 3.28Å; C202-G204 PolarHBondContact O-N 3.14Å; C202-E205 WeakPolarHBondContact CB-O 3.32Å; C202-E205 CarbonylContact O-C 3.5Å; C202-E205 PolarHBondContact O-N 3.11Å; C202-E205 VanDerWaalsContact O-N 3.17Å; C202-N208 PolarHBondContact N-O 2.95Å; C202-N208 VanDerWaalsContact SG-C 3.58Å; C202-N208 PolarHBondContact SG-O 3.36Å; C202-T209 VanDerWaalsContact SG-C 3.58Å; C202-C210 VanDerWaalsContact CA-SG 3.51Å; C202-C210 HydrophobicContact CB-CB 3.88Å; C202-C210 WeakPolarHBondContact CB-SG 3.27Å; C202-C210 WeakPolarHBondContact SG-CB 3.06Å; C202-C210 CovalentContact SG-SG 2.01Å; C202-C210 PolarHBondContact SG-SG 3.34Å
203	K	88.7	Confident	89.8	Confident	100 Å²	100	61 Å²	61	44%	0.435	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-28.8	-177.8	-61.7	-42.1	176.7	-156.4	0	114.2	G179 A180	G179-K203 WeakPolarHBondContact O-CG 3.31Å; G179-K203 PolarHBondContact O-N 2.99Å; A180-K203 HydrophobicContact CB-CG 3.93Å
204	G	81.1	Confident	89.7	Confident	38 Å²	38	64.3 Å²	64.3	39%	0.392	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-14.4	176.3	0	0	0	0	0	115	M157 C202	M157-G204 VanDerWaalsContact O-CA 3.3Å; M157-G204 WeakPolarHBondContact O-CA 3.45Å; M157-G204 PolarHBondContact O-N 2.9Å; C202-G204 VanDerWaalsContact C-N 3.28Å; C202-G204 PolarHBondContact O-N 3.14Å
205	E	83.3	Confident	89.9	Confident	71 Å²	71	64.2 Å²	64.2	33%	0.332	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	95.5	-171.7	-178.1	170.7	-130.2	0	0	111.7	T158 C202 S207 N208	T158-E205 HydrophobicContact CG2-CB 3.57Å; C202-E205 WeakPolarHBondContact CB-O 3.32Å; C202-E205 CarbonylContact O-C 3.5Å; C202-E205 PolarHBondContact O-N 3.11Å; C202-E205 VanDerWaalsContact O-N 3.17Å; E205-S207 WeakPolarHBondContact CG-OG 3.44Å; E205-S207 PolarHBondContact O-N 3.13Å; E205-S207 VanDerWaalsContact O-N 3.14Å; E205-N208 HydrophobicContact CG-CB 4.42Å; E205-N208 PolarHBondContact O-N 2.95Å; E205-N208 PolarHBondContact OE2-ND2 2.9Å
206	R	81.6	Confident	90.2	Very high	201 Å²	201	60.5 Å²	60.5	76%	0.758	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.4	-11.4	-172.7	-61.3	-172.3	-170.6	173.8	-0.2	115.4	E201 N208	E201-R206 WeakPolarHBondContact OE2-CB 3.49Å; E201-R206 WeakPolarHBondContact OE2-CG 3.12Å; R206-N208 VanDerWaalsContact C-N 3.27Å
207	S	81.6	Confident	90.4	Very high	99 Å²	99	56.7 Å²	56.7	69%	0.692	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78	-11.4	176	45.9	0	0	0	0	113.6	E205	E205-S207 WeakPolarHBondContact CG-OG 3.44Å; E205-S207 PolarHBondContact O-N 3.13Å; E205-S207 VanDerWaalsContact O-N 3.14Å
208	N	83.8	Confident	90.6	Very high	66 Å²	66	53.4 Å²	53.4	35%	0.353	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	150.3	-175.2	-75.7	-30.8	0	0	0	112.1	V159 C202 E205 R206	V159-N208 HydrophobicContact CG2-CB 4.03Å; C202-N208 PolarHBondContact N-O 2.95Å; C202-N208 VanDerWaalsContact SG-C 3.58Å; C202-N208 PolarHBondContact SG-O 3.36Å; E205-N208 HydrophobicContact CG-CB 4.42Å; E205-N208 PolarHBondContact O-N 2.95Å; E205-N208 PolarHBondContact OE2-ND2 2.9Å; R206-N208 VanDerWaalsContact C-N 3.27Å
209	T	90	Very high	90.6	Very high	62 Å²	62	54.5 Å²	54.5	38%	0.38	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	137.6	179	-49.5	0	0	0	0	111	V159 C198 C202	V159-T209 VanDerWaalsContact CG2-O 3.25Å; V159-T209 WeakPolarHBondContact CG2-O 3.35Å; C198-T209 VanDerWaalsContact O-CG2 3.22Å; C198-T209 WeakPolarHBondContact O-CG2 3.4Å; C202-T209 VanDerWaalsContact SG-C 3.58Å
210	C	92	Very high	90.3	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.282	C	S	.	.			trans	-132.3	62.7	-175.2	-85.5	0	0	0	0	110.2	L176 E177 G179 M200 C202	L176-C210 HydrophobicContact CB-CB 4.07Å; L176-C210 HydrophobicContact CD2-CB 4.17Å; L176-C210 WeakPolarHBondContact CD2-SG 3.37Å; E177-C210 CarbonylContact C-O 3.6Å; G179-C210 WeakPolarHBondContact CA-O 3.33Å; G179-C210 PolarHBondContact N-O 3.35Å; M200-C210 PolarHBondContact O-N 3Å; C202-C210 VanDerWaalsContact CA-SG 3.51Å; C202-C210 HydrophobicContact CB-CB 3.88Å; C202-C210 WeakPolarHBondContact CB-SG 3.27Å; C202-C210 WeakPolarHBondContact SG-CB 3.06Å; C202-C210 CovalentContact SG-SG 2.01Å; C202-C210 PolarHBondContact SG-SG 3.34Å
211	G	94.2	Very high	89.9	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.275	C	S	.	.			trans	73.3	-153.8	176.9	0	0	0	0	0	115.1	L176 C198 N199 M200 R215 S217	L176-G211 WeakPolarHBondContact O-CA 3.37Å; L176-G211 PolarHBondContact O-N 2.92Å; C198-G211 CarbonylContact C-O 3.51Å; C198-G211 WeakPolarHBondContact CA-O 3.24Å; N199-G211 PolarHBondContact N-O 2.94Å; M200-G211 WeakPolarHBondContact CB-O 3.5Å; M200-G211 PolarHBondContact N-O 3.47Å; G211-R215 WeakPolarHBondContact CA-O 3.39Å; G211-S217 VanDerWaalsContact CA-OG 3.31Å; G211-S217 WeakPolarHBondContact CA-OG 3.28Å; G211-S217 PolarHBondContact N-OG 3.27Å
212	G	92.9	Very high	89	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-145.8	-161.6	174.3	0	0	0	0	0	110.5	E177 F178 R215	E177-G212 WeakPolarHBondContact CG-O 3.18Å; F178-G212 PolarHBondContact N-O 3.44Å; G212-R215 PolarHBondContact N-O 2.93Å
213	A	92.9	Very high	87.7	Confident	60 Å²	60	56.7 Å²	56.7	50%	0.496	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	123	170.5	0	0	0	0	0	109.9	F178 R215	F178-A213 HydrophobicContact CD2-CB 4.24Å; F178-A213 HydrophobicContact CE2-CB 4.42Å; A213-R215 PolarHBondContact O-N 3Å
214	N	92.8	Very high	86.2	Confident	91 Å²	91	54.5 Å²	54.5	49%	0.487	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	31	-171.4	-55.9	-31	0	0	0	112.3	D139 E177	D139-N214 PolarHBondContact N-O 2.91Å; D139-N214 WeakPolarHBondContact O-CB 3.46Å; E177-N214 WeakPolarHBondContact OE1-CA 3.33Å; E177-N214 PolarHBondContact OE1-N 2.63Å
215	R	96.2	Very high	84.9	Confident	55 Å²	55	59.9 Å²	59.9	21%	0.208	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	119.2	-174.4	-66.5	-65.3	179.9	-82.6	-3.3	111.3	Y137 E197 G211 G212 A213	Y137-R215 CarbonylContact O-C 3.33Å; Y137-R215 VanDerWaalsContact O-CA 3.31Å; Y137-R215 WeakPolarHBondContact O-CA 3.4Å; E197-R215 HydrophobicContact CB-CG 4.02Å; E197-R215 IonicContact OE2-CZ 3.26Å; E197-R215 IonicContact OE2-NE 3.48Å; E197-R215 PolarHBondContact OE2-NE 2.91Å; E197-R215 IonicContact OE2-NH2 3.44Å; E197-R215 PolarHBondContact OE2-NH2 3.44Å; G211-R215 WeakPolarHBondContact CA-O 3.39Å; G212-R215 PolarHBondContact N-O 2.93Å; A213-R215 PolarHBondContact O-N 3Å
216	L	96.3	Very high	83.4	Confident	1 Å²	1	63.8 Å²	63.8	1%	0.005	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	123.2	179.1	-72.8	165.6	0	0	0	110.9	C136 Y137 D139 A145 L176 E177 F183 I218	C136-L216 WeakPolarHBondContact CA-O 3.47Å; Y137-L216 PolarHBondContact N-O 3Å; Y137-L216 PolarHBondContact O-N 2.91Å; D139-L216 HydrophobicContact CB-CD1 3.68Å; D139-L216 HydrophobicContact CB-CG 3.85Å; D139-L216 VanDerWaalsContact CG-CD1 3.44Å; A145-L216 HydrophobicContact CB-CD1 3.84Å; L176-L216 WeakPolarHBondContact O-CA 3.49Å; E177-L216 HydrophobicContact CB-CD2 3.81Å; E177-L216 HydrophobicContact CG-CD2 4.4Å; F183-L216 HydrophobicContact CB-CD2 4.29Å; F183-L216 HydrophobicContact CD2-CD2 3.57Å; F183-L216 HydrophobicContact CE2-CD2 4.28Å; F183-L216 HydrophobicContact CG-CD2 4.19Å; L216-I218 HydrophobicContact CB-CD1 4.27Å; L216-I218 HydrophobicContact CB-CG1 3.81Å; L216-I218 PolarHBondContact O-N 3.43Å
217	S	96	Very high	82.2	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.007	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	104.1	159.8	-73.7	0	0	0	0	108	G175 L176 C198 G211 Y219	G175-S217 WeakPolarHBondContact CA-O 3.23Å; L176-S217 PolarHBondContact N-O 3.06Å; L176-S217 VanDerWaalsContact N-O 3.08Å; L176-S217 PolarHBondContact O-N 2.76Å; C198-S217 WeakPolarHBondContact CB-OG 3.49Å; G211-S217 VanDerWaalsContact CA-OG 3.31Å; G211-S217 WeakPolarHBondContact CA-OG 3.28Å; G211-S217 PolarHBondContact N-OG 3.27Å; S217-Y219 WeakPolarHBondContact O-CD2 3.24Å; S217-Y219 WeakPolarHBondContact O-CE2 3.36Å
218	I	95.8	Very high	80.9	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	134	-175.6	-59.7	-170.3	0	0	0	111.7	Y133 I134 G135 Y137 L146 Y173 A174 I188 L216	Y133-I218 VanDerWaalsContact CD2-O 3.3Å; Y133-I218 WeakPolarHBondContact CD2-O 3.49Å; I134-I218 PolarHBondContact N-O 3.5Å; G135-I218 PolarHBondContact N-O 2.85Å; G135-I218 PolarHBondContact O-N 2.91Å; Y137-I218 HydrophobicContact CD1-CD1 4.42Å; Y137-I218 HydrophobicContact CD2-CB 3.79Å; Y137-I218 HydrophobicContact CD2-CD1 3.51Å; Y137-I218 HydrophobicContact CD2-CG1 3.67Å; Y137-I218 HydrophobicContact CE2-CB 4.04Å; Y137-I218 HydrophobicContact CE2-CD1 4.17Å; Y137-I218 HydrophobicContact CE2-CG1 4.37Å; Y137-I218 HydrophobicContact CG-CD1 3.65Å; Y137-I218 HydrophobicContact CG-CG1 4.22Å; L146-I218 HydrophobicContact CD1-CD1 4.19Å; L146-I218 HydrophobicContact CD1-CG1 4.43Å; L146-I218 HydrophobicContact CD2-CD1 4.3Å; L146-I218 HydrophobicContact CG-CD1 4.11Å; Y173-I218 HydrophobicContact CD1-CG2 3.97Å; Y173-I218 HydrophobicContact CG-CG2 4.46Å; A174-I218 CarbonylContact O-C 3.54Å; A174-I218 WeakPolarHBondContact O-CA 3.25Å; I188-I218 HydrophobicContact CD1-CD1 4.35Å; I188-I218 HydrophobicContact CD1-CG2 3.82Å; I188-I218 HydrophobicContact CG1-CD1 4.25Å; I188-I218 HydrophobicContact CG1-CG2 4.26Å; I188-I218 HydrophobicContact CG2-CD1 3.8Å; L216-I218 HydrophobicContact CB-CD1 4.27Å; L216-I218 HydrophobicContact CB-CG1 3.81Å; L216-I218 PolarHBondContact O-N 3.43Å
219	Y	92.9	Very high	80.1	Confident	31 Å²	31	54.6 Å²	54.6	12%	0.122	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	134.3	175	-57.7	-98.8	0	0	0	109.4	K132 Y133 V159 Q163 Y173 A174 L176 S217	K132-Y219 CarbonylContact O-C 3.58Å; K132-Y219 WeakPolarHBondContact O-CA 3.34Å; Y133-Y219 AromaticContact CD2-CD1 3.85Å; Y133-Y219 HydrophobicContact CD2-CD1 3.85Å; Y133-Y219 HydrophobicContact CD2-CD2 4.37Å; Y133-Y219 AromaticContact CD2-CE1 3.52Å; Y133-Y219 HydrophobicContact CD2-CE1 3.52Å; Y133-Y219 HydrophobicContact CD2-CE2 4.06Å; Y133-Y219 HydrophobicContact CD2-CG 4.26Å; Y133-Y219 AromaticContact CD2-CZ 3.62Å; Y133-Y219 HydrophobicContact CE2-CE2 4.43Å; Y133-Y219 HydrophobicContact CG-CD1 4.34Å; Y133-Y219 HydrophobicContact CG-CE1 4.06Å; V159-Y219 HydrophobicContact CG1-CD1 4.44Å; V159-Y219 HydrophobicContact CG1-CD2 4.47Å; V159-Y219 HydrophobicContact CG1-CE1 3.85Å; V159-Y219 HydrophobicContact CG1-CE2 3.92Å; Q163-Y219 HydrophobicContact CG-CG 4.43Å; Q163-Y219 VanDerWaalsContact NE2-CG 3.34Å; Y173-Y219 VanDerWaalsContact CA-O 3.28Å; Y173-Y219 WeakPolarHBondContact CA-O 3.38Å; A174-Y219 PolarHBondContact N-O 3.2Å; A174-Y219 PolarHBondContact O-N 3.38Å; L176-Y219 HydrophobicContact CD1-CD2 3.86Å; L176-Y219 HydrophobicContact CD1-CE2 3.65Å; S217-Y219 WeakPolarHBondContact O-CD2 3.24Å; S217-Y219 WeakPolarHBondContact O-CE2 3.36Å
220	R	87.2	Confident	79.1	Confident	139 Å²	139	55.2 Å²	55.2	53%	0.525	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	127.3	166.2	-178	178.6	-175.6	171.1	1.9	108.3	A131 K132 I134 M172 Y173	A131-R220 CarbonylContact C-O 3.58Å; A131-R220 VanDerWaalsContact CA-O 3.24Å; A131-R220 WeakPolarHBondContact CA-O 3.4Å; K132-R220 PolarHBondContact N-O 2.85Å; K132-R220 PolarHBondContact O-N 2.98Å; I134-R220 HydrophobicContact CD1-CB 3.62Å; I134-R220 HydrophobicContact CG1-CB 3.67Å; M172-R220 WeakPolarHBondContact O-CA 3.35Å; Y173-R220 HydrophobicContact CD1-CB 4.08Å; Y173-R220 HydrophobicContact CD1-CG 4.48Å; Y173-R220 HydrophobicContact CE1-CB 3.89Å; Y173-R220 HydrophobicContact CE1-CG 4.05Å
221	L	84.1	Confident	78	Confident	11 Å²	11	58.7 Å²	58.7	6%	0.058	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	138.9	-174	-50.7	-177.4	0	0	0	110.5	A131 Q163 C166 A167 Y171 M172 A174 L223	A131-L221 HydrophobicContact CB-CD2 3.75Å; Q163-L221 HydrophobicContact CB-CD2 3.84Å; Q163-L221 HydrophobicContact CG-CD2 3.8Å; C166-L221 HydrophobicContact CB-CD1 3.51Å; A167-L221 HydrophobicContact CB-CB 4.28Å; A167-L221 HydrophobicContact CB-CD1 3.8Å; Y171-L221 WeakPolarHBondContact O-CD1 3.28Å; M172-L221 PolarHBondContact O-N 2.83Å; A174-L221 HydrophobicContact CB-CD1 3.97Å; A174-L221 HydrophobicContact CB-CD2 3.84Å; A174-L221 HydrophobicContact CB-CG 4.28Å; L221-L223 HydrophobicContact CB-CD2 4.11Å; L221-L223 PolarHBondContact O-N 3.37Å
222	E	74.5	Confident	77	Confident	123 Å²	123	59.9 Å²	59.9	58%	0.575	30%	0.299	S	S	*	.			trans	-85.4	95.6	164.8	-60.1	-168	159.9	0	0	107.3	G129 R130	G129-E222 VanDerWaalsContact C-OE2 3.3Å; R130-E222 WeakPolarHBondContact O-CB 3.24Å; R130-E222 PolarHBondContact O-N 2.91Å
223	L	63.4	Low	76	Confident	41 Å²	41	63 Å²	63	22%	0.215	32%	0.321	C	S	.	.			trans	-67.9	137.2	-178.8	-62.1	179.7	0	0	0	109.9	A167 G170 Y171 M172 L221 A228	A167-L223 HydrophobicContact CB-CD2 4.01Å; G170-L223 WeakPolarHBondContact O-CD1 3.4Å; Y171-L223 WeakPolarHBondContact O-CD2 3.14Å; M172-L223 HydrophobicContact CG-CD1 4.29Å; L221-L223 HydrophobicContact CB-CD2 4.11Å; L221-L223 PolarHBondContact O-N 3.37Å; L223-A228 HydrophobicContact CB-CB 3.98Å; L223-A228 HydrophobicContact CD1-CB 4.33Å
224	S	56.9	Low	75.6	Confident	55 Å²	55	60.2 Å²	60.2	39%	0.385	30%	0.298	S	S	.	.			trans	-60	155.4	162.9	73.8	0	0	0	0	109.3	E226 S227 A228	S224-E226 PolarHBondContact O-N 3.07Å; S224-S227 CarbonylContact O-C 3.6Å; S224-S227 WeakPolarHBondContact O-CA 3.5Å; S224-S227 WeakPolarHBondContact O-CB 3.28Å; S224-S227 PolarHBondContact O-N 3.03Å; S224-S227 WeakPolarHBondContact OG-CB 3.33Å; S224-S227 PolarHBondContact OG-N 3.27Å; S224-S227 PolarHBondContact OG-OG 2.89Å; S224-A228 PolarHBondContact O-N 3.03Å
225	Q	54.5	Low	75.2	Confident	150 Å²	150	58.7 Å²	58.7	70%	0.701	29%	0.289	S	S	*	.	H	α-helix	trans	-56.4	-27.5	178	-163.3	174.7	14.9	0	0	112.8
226	E	52.8	Low	74.7	Confident	154 Å²	154	57.8 Å²	57.8	72%	0.72	29%	0.287	S	S	*	.	H	α-helix	trans	-79.1	-23.6	176.3	-58.9	163.1	143.5	0	0	113	S224	S224-E226 PolarHBondContact O-N 3.07Å
227	S	54.5	Low	74.3	Confident	8 Å²	8	61.5 Å²	61.5	6%	0.056	30%	0.303	C	S	.	.	H	α-helix	trans	-92.8	-36.2	177.4	-78.8	0	0	0	0	113	A167 G170 S224 R229 R230	A167-S227 WeakPolarHBondContact O-CB 3.42Å; A167-S227 PolarHBondContact O-OG 2.91Å; G170-S227 WeakPolarHBondContact CA-O 3.35Å; S224-S227 CarbonylContact O-C 3.6Å; S224-S227 WeakPolarHBondContact O-CA 3.5Å; S224-S227 WeakPolarHBondContact O-CB 3.28Å; S224-S227 PolarHBondContact O-N 3.03Å; S224-S227 WeakPolarHBondContact OG-CB 3.33Å; S224-S227 PolarHBondContact OG-N 3.27Å; S224-S227 PolarHBondContact OG-OG 2.89Å; S227-R229 PolarHBondContact O-N 3.47Å; S227-R229 VanDerWaalsContact O-N 3.16Å; S227-R230 PolarHBondContact O-N 2.76Å
228	A	55.9	Low	73.9	Confident	63 Å²	63	61.5 Å²	61.5	52%	0.521	30%	0.303	S	S	.	.	H	α-helix	trans	-59.3	-24.7	174.4	0	0	0	0	0	112.4	L223 S224 R230	L223-A228 HydrophobicContact CB-CB 3.98Å; L223-A228 HydrophobicContact CD1-CB 4.33Å; S224-A228 PolarHBondContact O-N 3.03Å; A228-R230 VanDerWaalsContact C-N 3.33Å; A228-R230 PolarHBondContact O-N 2.84Å
229	R	66.3	Low	73.7	Confident	102 Å²	102	61.6 Å²	61.6	39%	0.385	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	28.5	176.3	-76.4	178.7	166.7	170.3	-0.3	113.7	S227 F236 E300	S227-R229 PolarHBondContact O-N 3.47Å; S227-R229 VanDerWaalsContact O-N 3.16Å; R229-F236 HydrophobicContact CB-CB 4.09Å; R229-F236 HydrophobicContact CB-CD1 4.21Å; R229-F236 HydrophobicContact CG-CD1 3.86Å; R229-F236 VanDerWaalsContact O-CB 3.24Å; R229-F236 WeakPolarHBondContact O-CB 3.48Å; R229-F236 PolarHBondContact O-N 2.75Å; R229-E300 IonicContact CZ-OE1 3.75Å; R229-E300 IonicContact NE-OE1 3.39Å; R229-E300 IonicContact NH2-OE1 2.78Å; R229-E300 PolarHBondContact NH2-OE1 2.83Å
230	R	69.6	Low	73.8	Confident	75 Å²	75	60.4 Å²	60.4	28%	0.283	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	139.6	173.6	-58.3	-164.5	-172.9	-173.7	11.7	112.4	E168 S227 A228 A234 I235	E168-R230 PolarHBondContact O-NE 3.13Å; E168-R230 PolarHBondContact O-NH1 3.09Å; E168-R230 PolarHBondContact O-NH2 2.97Å; S227-R230 PolarHBondContact O-N 2.76Å; A228-R230 VanDerWaalsContact C-N 3.33Å; A228-R230 PolarHBondContact O-N 2.84Å; R230-A234 VanDerWaalsContact CA-O 3.29Å; R230-A234 WeakPolarHBondContact CA-O 3.08Å; R230-A234 WeakPolarHBondContact CB-O 3.48Å; R230-I235 HydrophobicContact CG-CG1 4.12Å
231	Y	68	Low	74.2	Confident	73 Å²	73	58.4 Å²	58.4	29%	0.286	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	112.5	175.8	-152.6	-102.4	0	0	0	108.6	S233 A234 V261 D262 E313	Y231-S233 PolarHBondContact O-N 3.26Å; Y231-A234 PolarHBondContact N-O 3.3Å; Y231-A234 PolarHBondContact O-N 3.2Å; Y231-V261 HydrophobicContact CD1-CB 3.78Å; Y231-V261 HydrophobicContact CD1-CG1 3.49Å; Y231-V261 VanDerWaalsContact CD1-CG1 3.49Å; Y231-V261 HydrophobicContact CE1-CB 3.96Å; Y231-V261 HydrophobicContact CE1-CG1 4.2Å; Y231-V261 HydrophobicContact CG-CB 4.44Å; Y231-V261 HydrophobicContact CG-CG1 3.92Å; Y231-D262 VanDerWaalsContact CD1-OD1 3.26Å; Y231-D262 WeakPolarHBondContact CD1-OD1 3.47Å; Y231-D262 WeakPolarHBondContact CE1-OD1 3.36Å; Y231-E313 WeakPolarHBondContact CE1-OE1 3.43Å; Y231-E313 PolarHBondContact OH-OE1 3.28Å
232	G	73.9	Confident	74.6	Confident	25 Å²	25	61.9 Å²	61.9	26%	0.258	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	-109.9	-171.5	0	0	0	0	0	112.1
233	S	72.3	Confident	75.4	Confident	66 Å²	66	56.9 Å²	56.9	46%	0.462	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-7.5	175.2	70.8	0	0	0	0	114.6	Y231 Q327	Y231-S233 PolarHBondContact O-N 3.26Å; S233-Q327 PolarHBondContact OG-NE2 3.18Å; S233-Q327 PolarHBondContact OG-OE1 3.12Å
234	A	83.8	Confident	76.7	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	156.3	-179.1	0	0	0	0	0	113	R230 Y231 V265 Y324 Q325	R230-A234 VanDerWaalsContact CA-O 3.29Å; R230-A234 WeakPolarHBondContact CA-O 3.08Å; R230-A234 WeakPolarHBondContact CB-O 3.48Å; Y231-A234 PolarHBondContact N-O 3.3Å; Y231-A234 PolarHBondContact O-N 3.2Å; A234-V265 HydrophobicContact CB-CB 4.41Å; A234-V265 HydrophobicContact CB-CG1 3.73Å; A234-V265 HydrophobicContact CB-CG2 3.72Å; A234-Y324 HydrophobicContact CB-CD1 4.41Å; A234-Q325 CarbonylContact C-O 3.58Å; A234-Q325 WeakPolarHBondContact CA-O 3.45Å; A234-Q325 WeakPolarHBondContact CB-O 3.5Å
235	I	84.3	Confident	78.3	Confident	59 Å²	59	64.6 Å²	64.6	30%	0.303	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	114.2	-178.9	-55	168.6	0	0	0	108.5	R230 K237 Q325	R230-I235 HydrophobicContact CG-CG1 4.12Å; I235-K237 PolarHBondContact O-N 3.36Å; I235-Q325 HydrophobicContact CB-CB 4.34Å; I235-Q325 PolarHBondContact N-O 3Å; I235-Q325 PolarHBondContact O-N 3.39Å
236	F	86.2	Confident	80.1	Confident	36 Å²	36	58.1 Å²	58.1	16%	0.158	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	130.8	172	175.3	-96.2	0	0	0	110	R229 E300 V322 Y324	R229-F236 HydrophobicContact CB-CB 4.09Å; R229-F236 HydrophobicContact CB-CD1 4.21Å; R229-F236 HydrophobicContact CG-CD1 3.86Å; R229-F236 VanDerWaalsContact O-CB 3.24Å; R229-F236 WeakPolarHBondContact O-CB 3.48Å; R229-F236 PolarHBondContact O-N 2.75Å; F236-E300 HydrophobicContact CE1-CG 4.48Å; F236-E300 HydrophobicContact CZ-CG 4.28Å; F236-V322 HydrophobicContact CD2-CG1 4.13Å; F236-V322 HydrophobicContact CE2-CG1 3.81Å; F236-Y324 HydrophobicContact CB-CD1 3.9Å; F236-Y324 HydrophobicContact CB-CE1 3.64Å; F236-Y324 AromaticContact CD2-CE1 3.9Å; F236-Y324 HydrophobicContact CD2-CE1 3.9Å; F236-Y324 HydrophobicContact CD2-CE2 4.25Å; F236-Y324 AromaticContact CD2-CZ 3.74Å; F236-Y324 HydrophobicContact CG-CE1 4.27Å
237	K	87.3	Confident	81.9	Confident	79 Å²	79	55.7 Å²	55.7	34%	0.343	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-33.5	-179.5	-68.7	-65.6	-174.5	168.7	0	112.6	I235 F240 L294 V323 Q325	I235-K237 PolarHBondContact O-N 3.36Å; K237-F240 HydrophobicContact CB-CE2 3.86Å; K237-F240 HydrophobicContact CB-CZ 4.14Å; K237-L294 HydrophobicContact CG-CD1 4.44Å; K237-V323 HydrophobicContact CB-CB 4.31Å; K237-V323 HydrophobicContact CB-CG1 4.2Å; K237-V323 HydrophobicContact CG-CG1 4.41Å; K237-V323 PolarHBondContact N-O 3.3Å; K237-Q325 HydrophobicContact CD-CB 4.32Å; K237-Q325 VanDerWaalsContact CE-OE1 3.29Å; K237-Q325 HydrophobicContact CG-CB 4.1Å
238	G	88.5	Confident	83.6	Confident	2 Å²	2	57.8 Å²	57.8	2%	0.021	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	141.6	-173.1	-178.1	0	0	0	0	0	113	F240 V323	G238-F240 WeakPolarHBondContact O-CD2 3.23Å; G238-F240 WeakPolarHBondContact O-CE2 3.32Å; G238-V323 PolarHBondContact O-N 2.78Å; G238-V323 VanDerWaalsContact O-N 3.1Å
239	C	91.7	Very high	85.2	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.007	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	141.9	164.6	-171.5	0	0	0	0	110	E298 D299 C303	C239-E298 HydrophobicContact CB-CB 4.18Å; C239-E298 PolarHBondContact O-N 3.42Å; C239-D299 WeakPolarHBondContact CB-O 3.43Å; C239-D299 PolarHBondContact SG-O 3.45Å; C239-D299 VanDerWaalsContact SG-O 3.42Å; C239-C303 WeakPolarHBondContact CA-SG 3.43Å; C239-C303 HydrophobicContact CB-CB 3.65Å; C239-C303 WeakPolarHBondContact CB-SG 3.29Å; C239-C303 WeakPolarHBondContact SG-CB 3.44Å; C239-C303 CovalentContact SG-SG 2.03Å; C239-C303 PolarHBondContact SG-SG 3.32Å
240	F	94.6	Very high	86.6	Confident	6 Å²	6	50 Å²	50	3%	0.026	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	141.4	-179.5	-63.3	-87.4	0	0	0	110.3	K237 G238 F292 L294 E296 L297 F320 F321 V323	K237-F240 HydrophobicContact CB-CE2 3.86Å; K237-F240 HydrophobicContact CB-CZ 4.14Å; G238-F240 WeakPolarHBondContact O-CD2 3.23Å; G238-F240 WeakPolarHBondContact O-CE2 3.32Å; F240-F292 HydrophobicContact CB-CE2 3.75Å; F240-F292 HydrophobicContact CB-CZ 3.78Å; F240-F292 HydrophobicContact CG-CE2 4.45Å; F240-F292 HydrophobicContact CG-CZ 4.22Å; F240-L294 HydrophobicContact CD1-CB 4.47Å; F240-L294 HydrophobicContact CD1-CD2 4Å; F240-L294 HydrophobicContact CD2-CD2 4.09Å; F240-L294 VanDerWaalsContact CE1-CA 3.45Å; F240-L294 HydrophobicContact CE1-CB 3.76Å; F240-L294 HydrophobicContact CE1-CD2 3.96Å; F240-L294 HydrophobicContact CE1-CG 4.48Å; F240-L294 WeakPolarHBondContact CE1-O 3.37Å; F240-L294 HydrophobicContact CE2-CD2 4Å; F240-L294 HydrophobicContact CG-CD2 4.08Å; F240-L294 HydrophobicContact CZ-CB 3.9Å; F240-L294 HydrophobicContact CZ-CD2 3.94Å; F240-L294 HydrophobicContact CZ-CG 4.45Å; F240-E296 WeakPolarHBondContact CD1-O 3.05Å; F240-L297 HydrophobicContact CE1-CD2 3.67Å; F240-L297 HydrophobicContact CE1-CG 3.92Å; F240-L297 HydrophobicContact CE2-CD2 4.06Å; F240-L297 HydrophobicContact CZ-CD2 3.39Å; F240-L297 HydrophobicContact CZ-CG 4.09Å; F240-F320 CarbonylContact O-C 3.52Å; F240-F320 WeakPolarHBondContact O-CA 3.4Å; F240-F321 PolarHBondContact N-O 3.18Å; F240-F321 PolarHBondContact O-N 3.39Å; F240-V323 HydrophobicContact CB-CG2 4.42Å; F240-V323 HydrophobicContact CD2-CB 3.69Å; F240-V323 HydrophobicContact CD2-CG2 3.41Å; F240-V323 VanDerWaalsContact CD2-CG2 3.41Å; F240-V323 HydrophobicContact CE2-CB 3.8Å; F240-V323 HydrophobicContact CE2-CG2 4.04Å; F240-V323 HydrophobicContact CG-CG2 4.19Å
241	H	94.1	Very high	87.6	Confident	97 Å²	97	50 Å²	50	45%	0.449	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	140.2	171.6	-168.2	-82.8	0	0	0	110.6	E298 F320	H241-E298 HydrophobicContact CB-CG 4.26Å; H241-F320 HydrophobicContact CB-CD1 4.43Å; H241-F320 HydrophobicContact CB-CE1 4.35Å; H241-F320 AromaticContact CD2-CE1 3.75Å
242	R	92.6	Very high	88.8	Confident	85 Å²	85	50.3 Å²	50.3	32%	0.321	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-69.4	130.2	177.8	-176.8	173.8	106.8	-176.3	7.9	110	V246 D318 N319 F321	R242-V246 HydrophobicContact CG-CG2 3.55Å; R242-D318 VanDerWaalsContact CD-O 3.31Å; R242-D318 WeakPolarHBondContact CD-O 3.32Å; R242-D318 VanDerWaalsContact CZ-O 3.28Å; R242-D318 PolarHBondContact NE-O 3.42Å; R242-D318 PolarHBondContact NH1-O 3.39Å; R242-N319 WeakPolarHBondContact CB-O 3.32Å; R242-N319 PolarHBondContact N-O 2.86Å; R242-F321 HydrophobicContact CB-CD1 4.41Å; R242-F321 HydrophobicContact CB-CE1 4.26Å; R242-F321 HydrophobicContact CB-CZ 4.34Å; R242-F321 HydrophobicContact CG-CD1 4.36Å; R242-F321 HydrophobicContact CG-CE1 3.73Å; R242-F321 HydrophobicContact CG-CE2 3.95Å; R242-F321 HydrophobicContact CG-CZ 3.53Å
243	P	92.9	Very high	89.8	Confident	17 Å²	17	52 Å²	52	11%	0.11	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-70.9	145.5	175.9	29	-34.4	0	0	0	111.3	N245 V246 A249 L291 F292	P243-N245 VanDerWaalsContact C-N 3.27Å; P243-N245 PolarHBondContact O-N 3.45Å; P243-V246 WeakPolarHBondContact O-CG2 3.48Å; P243-V246 PolarHBondContact O-N 3.08Å; P243-A249 HydrophobicContact CB-CB 4.32Å; P243-A249 HydrophobicContact CG-CB 3.72Å; P243-L291 WeakPolarHBondContact CB-O 3.33Å; P243-F292 HydrophobicContact CG-CB 4.49Å; P243-F292 HydrophobicContact CG-CD2 4.06Å; P243-F292 HydrophobicContact CG-CG 4.48Å
244	D	89.9	Confident	90.9	Very high	164 Å²	164	50.3 Å²	50.3	88%	0.877	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-43.9	-179.4	-62.8	-41.8	0	0	0	112.3
245	N	91.3	Very high	91.4	Very high	95 Å²	95	54.5 Å²	54.5	51%	0.508	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	72.2	177.7	-166.2	-16.3	0	0	0	111.3	P243 T247 A248 A249	P243-N245 VanDerWaalsContact C-N 3.27Å; P243-N245 PolarHBondContact O-N 3.45Å; N245-T247 VanDerWaalsContact C-N 3.28Å; N245-T247 PolarHBondContact O-N 3.48Å; N245-A248 HydrophobicContact CB-CB 4.18Å; N245-A248 VanDerWaalsContact CG-CB 3.47Å; N245-A248 PolarHBondContact O-N 2.82Å; N245-A248 VanDerWaalsContact O-N 3.12Å; N245-A248 WeakPolarHBondContact OD1-CB 3.02Å; N245-A248 PolarHBondContact OD1-N 2.86Å; N245-A249 PolarHBondContact O-N 3.45Å; N245-A249 VanDerWaalsContact O-N 3.14Å
246	V	91.6	Very high	91.8	Very high	14 Å²	14	53 Å²	53	9%	0.085	29%	0.293	C	S	.	.	H	α-helix	trans	-52.3	-43.6	-179.9	-174.9	0	0	0	0	112.4	R242 P243 A248 A249 L250 Y284 F321	R242-V246 HydrophobicContact CG-CG2 3.55Å; P243-V246 WeakPolarHBondContact O-CG2 3.48Å; P243-V246 PolarHBondContact O-N 3.08Å; V246-A248 VanDerWaalsContact C-N 3.3Å; V246-A248 PolarHBondContact O-N 3.39Å; V246-A249 PolarHBondContact O-N 3.09Å; V246-L250 PolarHBondContact O-N 3.34Å; V246-Y284 HydrophobicContact CG1-CD1 3.44Å; V246-Y284 VanDerWaalsContact CG1-CD1 3.44Å; V246-Y284 HydrophobicContact CG1-CE1 3.4Å; V246-Y284 HydrophobicContact CG1-CG 4.17Å; V246-F321 HydrophobicContact CG1-CE2 4.28Å; V246-F321 HydrophobicContact CG1-CZ 3.8Å; V246-F321 HydrophobicContact CG2-CZ 4.28Å
247	T	90.4	Very high	91.9	Very high	102 Å²	102	59.5 Å²	59.5	63%	0.626	32%	0.324	S	S	*	.	H	α-helix	trans	-67.8	-28.3	-177.3	-46.3	0	0	0	0	112.8	N245 P251	N245-T247 VanDerWaalsContact C-N 3.28Å; N245-T247 PolarHBondContact O-N 3.48Å; T247-P251 VanDerWaalsContact O-CA 3.28Å; T247-P251 WeakPolarHBondContact O-CA 3.46Å
248	A	89.8	Confident	92	Very high	52 Å²	52	60.9 Å²	60.9	43%	0.43	34%	0.335	S	S	.	.	H	α-helix	trans	-76.9	-35.5	172.6	0	0	0	0	0	112.4	N245 V246 L291	N245-A248 HydrophobicContact CB-CB 4.18Å; N245-A248 VanDerWaalsContact CG-CB 3.47Å; N245-A248 PolarHBondContact O-N 2.82Å; N245-A248 VanDerWaalsContact O-N 3.12Å; N245-A248 WeakPolarHBondContact OD1-CB 3.02Å; N245-A248 PolarHBondContact OD1-N 2.86Å; V246-A248 VanDerWaalsContact C-N 3.3Å; V246-A248 PolarHBondContact O-N 3.39Å; A248-L291 HydrophobicContact CB-CD1 3.61Å
249	A	90.8	Very high	91.9	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-76.2	-44.2	179.4	0	0	0	0	0	113.2	P243 N245 V246 L291 F292	P243-A249 HydrophobicContact CB-CB 4.32Å; P243-A249 HydrophobicContact CG-CB 3.72Å; N245-A249 PolarHBondContact O-N 3.45Å; N245-A249 VanDerWaalsContact O-N 3.14Å; V246-A249 PolarHBondContact O-N 3.09Å; A249-L291 HydrophobicContact CB-CB 3.92Å; A249-F292 HydrophobicContact CB-CB 3.98Å
250	L	94.2	Very high	91.8	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.005	34%	0.338	C	S	.	.	S	Bend	trans	-132.9	86.4	-175.2	-61	177.3	0	0	0	109	V246 F252 A277 F292 F321	V246-L250 PolarHBondContact O-N 3.34Å; L250-F252 VanDerWaalsContact C-N 3.25Å; L250-F252 PolarHBondContact O-N 3.5Å; L250-F252 VanDerWaalsContact O-N 3.17Å; L250-A277 HydrophobicContact CD1-CB 3.7Å; L250-F292 HydrophobicContact CD1-CD1 4.33Å; L250-F292 HydrophobicContact CD1-CE1 4.26Å; L250-F292 HydrophobicContact CD2-CD1 4.27Å; L250-F292 HydrophobicContact CG-CD1 4.45Å; L250-F321 HydrophobicContact CD1-CD2 4.21Å; L250-F321 HydrophobicContact CD1-CE2 3.73Å
251	P	91.3	Very high	91.5	Very high	75 Å²	75	61 Å²	61	49%	0.487	34%	0.337	S	S	.	.			trans	-73.1	-9.5	-164.7	26.5	-34.7	0	0	0	115.5	T247	T247-P251 VanDerWaalsContact O-CA 3.28Å; T247-P251 WeakPolarHBondContact O-CA 3.46Å
252	F	94	Very high	91.1	Very high	80 Å²	80	59.6 Å²	59.6	35%	0.351	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	131.4	176.7	-62.9	-84.2	0	0	0	109.6	L250 K273 Y284 C285	L250-F252 VanDerWaalsContact C-N 3.25Å; L250-F252 PolarHBondContact O-N 3.5Å; L250-F252 VanDerWaalsContact O-N 3.17Å; F252-K273 HydrophobicContact CD2-CD 4.08Å; F252-K273 HydrophobicContact CD2-CG 4.35Å; F252-K273 HydrophobicContact CE2-CD 4.3Å; F252-Y284 CarbonylContact O-C 3.53Å; F252-Y284 WeakPolarHBondContact O-CA 3.18Å; F252-C285 HydrophobicContact CB-CB 4.11Å; F252-C285 PolarHBondContact N-O 2.68Å; F252-C285 PolarHBondContact O-N 2.88Å
253	S	95.1	Very high	91.1	Very high	61 Å²	61	59.7 Å²	59.7	43%	0.427	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	156.6	172.8	61.4	0	0	0	0	112.1	C283	S253-C283 CarbonylContact C-O 3.57Å; S253-C283 WeakPolarHBondContact CA-O 3.31Å
254	A	95.3	Very high	91.1	Very high	30 Å²	30	58.9 Å²	58.9	25%	0.248	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	153.9	171.2	0	0	0	0	0	110.8	M267 R282 C283	A254-M267 HydrophobicContact CB-CE 3.98Å; A254-M267 HydrophobicContact CB-SD 3.5Å; A254-M267 WeakPolarHBondContact CB-SD 3.34Å; A254-R282 WeakPolarHBondContact O-CA 3.45Å; A254-C283 PolarHBondContact N-O 3.4Å; A254-C283 PolarHBondContact O-N 3.46Å
255	V	94.2	Very high	91.2	Very high	89 Å²	89	51.2 Å²	51.2	54%	0.539	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	130.3	164.7	-179.2	0	0	0	0	107.6	E281 R282	V255-E281 WeakPolarHBondContact CA-O 3.08Å; V255-E281 HydrophobicContact CG1-CB 4.33Å; V255-R282 HydrophobicContact CG2-CG 3.96Å
256	I	92	Very high	91.2	Very high	26 Å²	26	50.7 Å²	50.7	13%	0.133	29%	0.286	C	S	.	.			trans	-118.4	118.5	-179.6	-56	-177.1	0	0	0	109.3	M259 K263 M267 E281 C283	I256-M259 HydrophobicContact CB-CE 3.59Å; I256-M259 HydrophobicContact CB-SD 3.83Å; I256-M259 HydrophobicContact CD1-CE 3.95Å; I256-M259 HydrophobicContact CD1-SD 3.87Å; I256-M259 HydrophobicContact CG1-CE 3.81Å; I256-M259 HydrophobicContact CG1-SD 4.2Å; I256-M259 HydrophobicContact CG2-SD 4.3Å; I256-M259 PolarHBondContact O-N 3.34Å; I256-K263 HydrophobicContact CD1-CB 4.37Å; I256-K263 HydrophobicContact CG2-CB 4.04Å; I256-K263 HydrophobicContact CG2-CD 3.74Å; I256-M267 HydrophobicContact CD1-SD 4.11Å; I256-E281 PolarHBondContact N-O 3.17Å; I256-C283 HydrophobicContact CD1-CB 3.75Å; I256-C283 HydrophobicContact CG1-CB 4.38Å
257	Q	89.2	Confident	91.3	Very high	174 Å²	174	51.2 Å²	51.2	81%	0.813	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	133.5	174.8	-68.9	-178.6	-8.6	0	0	110.9	K263	Q257-K263 PolarHBondContact O-NZ 2.77Å
258	N	87.9	Confident	91.6	Very high	107 Å²	107	46.4 Å²	46.4	57%	0.572	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	57.3	-171	-60.3	-0.8	0	0	0	110.1	S260 K263 G309	N258-S260 PolarHBondContact O-N 3.46Å; N258-K263 PolarHBondContact O-NZ 3.31Å; N258-G309 WeakPolarHBondContact O-CA 3.5Å
259	M	87.6	Confident	91.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.248	C	C	.	.			trans	-50	138.1	-177.5	179	67.7	79.5	0	0	111.5	I256 C264 L278 G280 E281 R282 C283 C307 G309 C315	I256-M259 HydrophobicContact CB-CE 3.59Å; I256-M259 HydrophobicContact CB-SD 3.83Å; I256-M259 HydrophobicContact CD1-CE 3.95Å; I256-M259 HydrophobicContact CD1-SD 3.87Å; I256-M259 HydrophobicContact CG1-CE 3.81Å; I256-M259 HydrophobicContact CG1-SD 4.2Å; I256-M259 HydrophobicContact CG2-SD 4.3Å; I256-M259 PolarHBondContact O-N 3.34Å; M259-C264 HydrophobicContact SD-CB 4.04Å; M259-L278 HydrophobicContact CG-CD2 4.17Å; M259-L278 HydrophobicContact SD-CD2 4.18Å; M259-G280 WeakPolarHBondContact CG-O 3.43Å; M259-E281 WeakPolarHBondContact CE-O 3.42Å; M259-R282 VanDerWaalsContact CE-C 3.42Å; M259-C283 HydrophobicContact CE-CB 3.68Å; M259-C283 HydrophobicContact SD-CB 4.29Å; M259-C307 WeakPolarHBondContact O-CB 3.27Å; M259-G309 WeakPolarHBondContact O-CA 3.44Å; M259-G309 PolarHBondContact O-N 3.26Å; M259-C315 WeakPolarHBondContact CG-SG 3.48Å
260	S	89.1	Confident	91.8	Very high	13 Å²	13	53.4 Å²	53.4	9%	0.091	28%	0.284	C	S	.	.			trans	-143.3	161.9	168.2	65.8	0	0	0	0	109.4	N258 D262 K263 C264 E313	N258-S260 PolarHBondContact O-N 3.46Å; S260-D262 PolarHBondContact O-N 2.92Å; S260-K263 PolarHBondContact O-N 2.67Å; S260-K263 WeakPolarHBondContact OG-CG 3.3Å; S260-C264 PolarHBondContact O-N 3.31Å; S260-E313 WeakPolarHBondContact CA-OE2 3.44Å; S260-E313 WeakPolarHBondContact CB-OE2 3.34Å
261	V	87.4	Confident	91.8	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-55.9	-49.5	178.4	174.5	0	0	0	0	110.7	Y231 K263 C264 V265 L278 E313 Y324	Y231-V261 HydrophobicContact CD1-CB 3.78Å; Y231-V261 HydrophobicContact CD1-CG1 3.49Å; Y231-V261 VanDerWaalsContact CD1-CG1 3.49Å; Y231-V261 HydrophobicContact CE1-CB 3.96Å; Y231-V261 HydrophobicContact CE1-CG1 4.2Å; Y231-V261 HydrophobicContact CG-CB 4.44Å; Y231-V261 HydrophobicContact CG-CG1 3.92Å; V261-K263 PolarHBondContact O-N 3.06Å; V261-C264 PolarHBondContact O-N 3.3Å; V261-V265 HydrophobicContact CG1-CG2 4.16Å; V261-V265 WeakPolarHBondContact O-CB 3.33Å; V261-V265 WeakPolarHBondContact O-CG2 3.37Å; V261-V265 PolarHBondContact O-N 2.99Å; V261-L278 HydrophobicContact CG2-CD2 4.32Å; V261-E313 HydrophobicContact CG2-CB 4.19Å; V261-E313 HydrophobicContact CG2-CG 4.27Å; V261-E313 WeakPolarHBondContact CG2-OE2 3.32Å; V261-E313 PolarHBondContact N-OE2 2.8Å; V261-Y324 HydrophobicContact CB-CE2 4.26Å; V261-Y324 HydrophobicContact CG1-CD1 4.04Å; V261-Y324 HydrophobicContact CG1-CD2 3.88Å; V261-Y324 HydrophobicContact CG1-CE1 3.71Å; V261-Y324 HydrophobicContact CG1-CE2 3.52Å; V261-Y324 HydrophobicContact CG1-CG 4.14Å; V261-Y324 VanDerWaalsContact CG1-CZ 3.44Å; V261-Y324 HydrophobicContact CG2-CE2 3.71Å
262	D	87.6	Confident	91.9	Very high	66 Å²	66	62.1 Å²	62.1	35%	0.353	31%	0.314	S	S	.	.	H	α-helix	trans	-57	-47.6	179.3	-79.5	-24.3	0	0	0	111.7	Y231 S260 C264 V265 D266	Y231-D262 VanDerWaalsContact CD1-OD1 3.26Å; Y231-D262 WeakPolarHBondContact CD1-OD1 3.47Å; Y231-D262 WeakPolarHBondContact CE1-OD1 3.36Å; S260-D262 PolarHBondContact O-N 2.92Å; D262-C264 VanDerWaalsContact C-N 3.31Å; D262-C264 PolarHBondContact O-N 3.45Å; D262-V265 PolarHBondContact O-N 2.87Å; D262-D266 WeakPolarHBondContact O-CB 3.41Å; D262-D266 PolarHBondContact O-N 3.11Å
263	K	91	Very high	91.9	Very high	88 Å²	88	59.7 Å²	59.7	38%	0.383	30%	0.303	S	S	.	.	H	α-helix	trans	-60.3	-39.4	179.6	-71.6	175	178.8	176.6	0	112.7	I256 Q257 N258 S260 V261 M267	I256-K263 HydrophobicContact CD1-CB 4.37Å; I256-K263 HydrophobicContact CG2-CB 4.04Å; I256-K263 HydrophobicContact CG2-CD 3.74Å; Q257-K263 PolarHBondContact O-NZ 2.77Å; N258-K263 PolarHBondContact O-NZ 3.31Å; S260-K263 PolarHBondContact O-N 2.67Å; S260-K263 WeakPolarHBondContact OG-CG 3.3Å; V261-K263 PolarHBondContact O-N 3.06Å; K263-M267 WeakPolarHBondContact O-CB 3.48Å; K263-M267 PolarHBondContact O-N 3.32Å; K263-M267 VanDerWaalsContact O-N 3.13Å
264	C	93.1	Very high	91.8	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-70.5	-44.8	177.4	-179.3	0	0	0	0	111.6	M259 S260 V261 D262 M267 C268 L278 C283	M259-C264 HydrophobicContact SD-CB 4.04Å; S260-C264 PolarHBondContact O-N 3.31Å; V261-C264 PolarHBondContact O-N 3.3Å; D262-C264 VanDerWaalsContact C-N 3.31Å; D262-C264 PolarHBondContact O-N 3.45Å; C264-M267 PolarHBondContact O-N 3.11Å; C264-C268 WeakPolarHBondContact O-CB 3.13Å; C264-C268 PolarHBondContact O-N 3.31Å; C264-C268 PolarHBondContact O-SG 2.69Å; C264-L278 HydrophobicContact CB-CD1 4.16Å; C264-L278 HydrophobicContact CB-CD2 3.94Å; C264-L278 HydrophobicContact CB-CG 3.91Å; C264-C283 WeakPolarHBondContact CA-SG 3.28Å; C264-C283 HydrophobicContact CB-CB 3.68Å; C264-C283 WeakPolarHBondContact CB-SG 3.48Å; C264-C283 PolarHBondContact O-SG 2.99Å; C264-C283 WeakPolarHBondContact SG-CB 3.43Å; C264-C283 CovalentContact SG-SG 2.03Å; C264-C283 PolarHBondContact SG-SG 3.04Å
265	V	92.4	Very high	91.7	Very high	3 Å²	3	55.3 Å²	55.3	2%	0.018	27%	0.271	C	S	.	.	H	α-helix	trans	-60.3	-45.8	176.9	164.8	0	0	0	0	111.6	A234 V261 D262 C268 T269 A276 Y324 T326	A234-V265 HydrophobicContact CB-CB 4.41Å; A234-V265 HydrophobicContact CB-CG1 3.73Å; A234-V265 HydrophobicContact CB-CG2 3.72Å; V261-V265 HydrophobicContact CG1-CG2 4.16Å; V261-V265 WeakPolarHBondContact O-CB 3.33Å; V261-V265 WeakPolarHBondContact O-CG2 3.37Å; V261-V265 PolarHBondContact O-N 2.99Å; D262-V265 PolarHBondContact O-N 2.87Å; V265-C268 PolarHBondContact O-N 2.64Å; V265-T269 WeakPolarHBondContact O-CB 3.43Å; V265-T269 PolarHBondContact O-N 2.96Å; V265-T269 PolarHBondContact O-OG1 3.47Å; V265-A276 HydrophobicContact CG2-CB 4.22Å; V265-Y324 HydrophobicContact CG2-CG 4.42Å; V265-T326 HydrophobicContact CG1-CG2 4.49Å
266	D	91.6	Very high	91.8	Very high	84 Å²	84	51.1 Å²	51.1	45%	0.449	25%	0.245	S	C	.	.	H	α-helix	trans	-64	-48.1	178.7	-75.6	-19.6	0	0	0	110.8	D262 C268 T269 E270	D262-D266 WeakPolarHBondContact O-CB 3.41Å; D262-D266 PolarHBondContact O-N 3.11Å; D266-C268 VanDerWaalsContact C-N 3.32Å; D266-C268 PolarHBondContact O-N 2.73Å; D266-T269 CarbonylContact O-C 3.44Å; D266-T269 WeakPolarHBondContact O-CA 3.33Å; D266-T269 WeakPolarHBondContact O-CB 3.32Å; D266-T269 PolarHBondContact O-N 3.16Å; D266-E270 WeakPolarHBondContact O-CG 3.47Å; D266-E270 PolarHBondContact O-N 3.07Å
267	M	94.3	Very high	92	Very high	25 Å²	25	49.9 Å²	49.9	12%	0.123	24%	0.239	C	C	.	.	H	α-helix	trans	-59	-41.1	176.4	-173.5	-168	75.4	0	0	112.5	A254 I256 K263 C264 T269 R271 C283 C285	A254-M267 HydrophobicContact CB-CE 3.98Å; A254-M267 HydrophobicContact CB-SD 3.5Å; A254-M267 WeakPolarHBondContact CB-SD 3.34Å; I256-M267 HydrophobicContact CD1-SD 4.11Å; K263-M267 WeakPolarHBondContact O-CB 3.48Å; K263-M267 PolarHBondContact O-N 3.32Å; K263-M267 VanDerWaalsContact O-N 3.13Å; C264-M267 PolarHBondContact O-N 3.11Å; M267-T269 VanDerWaalsContact C-N 3.33Å; M267-R271 WeakPolarHBondContact O-CG 3.19Å; M267-R271 PolarHBondContact O-N 3.2Å; M267-C283 HydrophobicContact CE-CB 3.84Å; M267-C283 WeakPolarHBondContact CE-SG 3.26Å; M267-C285 WeakPolarHBondContact CE-SG 3.48Å
268	C	95.3	Very high	92.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-70.3	-31.8	176.5	-63.5	0	0	0	0	112.3	C264 V265 D266 R271 E272 K273 A276 C285 T326	C264-C268 WeakPolarHBondContact O-CB 3.13Å; C264-C268 PolarHBondContact O-N 3.31Å; C264-C268 PolarHBondContact O-SG 2.69Å; V265-C268 PolarHBondContact O-N 2.64Å; D266-C268 VanDerWaalsContact C-N 3.32Å; D266-C268 PolarHBondContact O-N 2.73Å; C268-R271 PolarHBondContact O-N 3.04Å; C268-E272 PolarHBondContact O-N 3.33Å; C268-K273 HydrophobicContact CB-CB 4.44Å; C268-K273 WeakPolarHBondContact O-CB 3.44Å; C268-K273 PolarHBondContact O-N 2.93Å; C268-A276 HydrophobicContact CB-CB 3.88Å; C268-A276 VanDerWaalsContact SG-CA 3.56Å; C268-A276 WeakPolarHBondContact SG-CB 3.47Å; C268-C285 WeakPolarHBondContact CA-SG 3.39Å; C268-C285 HydrophobicContact CB-CB 3.66Å; C268-C285 WeakPolarHBondContact CB-SG 3.49Å; C268-C285 VanDerWaalsContact SG-CA 3.55Å; C268-C285 WeakPolarHBondContact SG-CB 3.39Å; C268-C285 CovalentContact SG-SG 2.03Å; C268-C285 PolarHBondContact SG-SG 2.94Å; C268-T326 HydrophobicContact CB-CG2 4.07Å
269	T	92.6	Very high	92.5	Very high	34 Å²	34	36.9 Å²	36.9	21%	0.209	18%	0.176	C	C	.	.	H	α-helix	trans	-65.9	-48.9	173.2	-60	0	0	0	0	111.4	V265 D266 M267 R271 E272 Q327 V328	V265-T269 WeakPolarHBondContact O-CB 3.43Å; V265-T269 PolarHBondContact O-N 2.96Å; V265-T269 PolarHBondContact O-OG1 3.47Å; D266-T269 CarbonylContact O-C 3.44Å; D266-T269 WeakPolarHBondContact O-CA 3.33Å; D266-T269 WeakPolarHBondContact O-CB 3.32Å; D266-T269 PolarHBondContact O-N 3.16Å; M267-T269 VanDerWaalsContact C-N 3.33Å; T269-R271 PolarHBondContact O-N 2.91Å; T269-E272 WeakPolarHBondContact O-CA 3.25Å; T269-E272 PolarHBondContact O-N 3.49Å; T269-Q327 HydrophobicContact CG2-CG 4.23Å; T269-Q327 VanDerWaalsContact CG2-NE2 3.28Å; T269-Q327 PolarHBondContact OG1-NE2 3.46Å; T269-Q327 PolarHBondContact OG1-OE1 3.3Å; T269-V328 HydrophobicContact CG2-CG2 4Å
270	E	93.3	Very high	92.6	Very high	165 Å²	165	37.3 Å²	37.3	77%	0.771	18%	0.181	S	C	*	.	H	α-helix	trans	-58	-31.9	176.3	-72.1	-179.1	168.3	0	0	112.4	D266 E272	D266-E270 WeakPolarHBondContact O-CG 3.47Å; D266-E270 PolarHBondContact O-N 3.07Å; E270-E272 VanDerWaalsContact C-N 3.27Å; E270-E272 PolarHBondContact O-N 3.4Å
271	R	93.9	Very high	92.7	Very high	115 Å²	115	42 Å²	42	43%	0.434	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	5.9	175.4	-68.8	-179.9	178.4	-81.1	-0.7	114	M267 C268 T269 K273	M267-R271 WeakPolarHBondContact O-CG 3.19Å; M267-R271 PolarHBondContact O-N 3.2Å; C268-R271 PolarHBondContact O-N 3.04Å; T269-R271 PolarHBondContact O-N 2.91Å; R271-K273 HydrophobicContact CB-CG 4.1Å; R271-K273 PolarHBondContact O-N 2.97Å; R271-K273 PolarHBondContact O-NZ 2.96Å
272	E	93.1	Very high	92.9	Very high	144 Å²	144	48.2 Å²	48.2	67%	0.673	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	51.4	-175.5	-56.2	-174.7	155.6	0	0	112.3	C268 T269 E270 F287 V328	C268-E272 PolarHBondContact O-N 3.33Å; T269-E272 WeakPolarHBondContact O-CA 3.25Å; T269-E272 PolarHBondContact O-N 3.49Å; E270-E272 VanDerWaalsContact C-N 3.27Å; E270-E272 PolarHBondContact O-N 3.4Å; E272-F287 WeakPolarHBondContact O-CZ 3.24Å; E272-V328 HydrophobicContact CB-CG1 4.45Å
273	K	94	Very high	93.3	Very high	29 Å²	29	45.1 Å²	45.1	13%	0.126	21%	0.208	C	C	.	.			trans	-119.4	134.5	178.9	-60.3	-64.4	154.7	-78.8	0	110.7	F252 C268 R271 C285 G286 F287 T326	F252-K273 HydrophobicContact CD2-CD 4.08Å; F252-K273 HydrophobicContact CD2-CG 4.35Å; F252-K273 HydrophobicContact CE2-CD 4.3Å; C268-K273 HydrophobicContact CB-CB 4.44Å; C268-K273 WeakPolarHBondContact O-CB 3.44Å; C268-K273 PolarHBondContact O-N 2.93Å; R271-K273 HydrophobicContact CB-CG 4.1Å; R271-K273 PolarHBondContact O-N 2.97Å; R271-K273 PolarHBondContact O-NZ 2.96Å; K273-C285 HydrophobicContact CB-CB 3.82Å; K273-C285 HydrophobicContact CG-CB 3.85Å; K273-G286 WeakPolarHBondContact CB-O 3.41Å; K273-F287 HydrophobicContact CD-CD2 4.19Å; K273-F287 HydrophobicContact CD-CE2 3.61Å; K273-F287 HydrophobicContact CD-CZ 3.97Å; K273-T326 PolarHBondContact O-OG1 3.28Å
274	S	92.5	Very high	93.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	19%	0.194	C	C	.	.	S	Bend	trans	-81.1	-20.3	-173.9	79.2	0	0	0	0	113	G286 F287 Q325 T326 V328	S274-G286 PolarHBondContact N-O 2.89Å; S274-G286 VanDerWaalsContact N-O 3.11Å; S274-F287 WeakPolarHBondContact OG-CD1 3.47Å; S274-Q325 CarbonylContact O-C 3.57Å; S274-Q325 WeakPolarHBondContact O-CA 3.17Å; S274-Q325 PolarHBondContact O-NE2 3.2Å; S274-T326 WeakPolarHBondContact CA-OG1 3.48Å; S274-T326 PolarHBondContact O-N 3.46Å; S274-T326 PolarHBondContact O-OG1 3.47Å; S274-V328 WeakPolarHBondContact CB-O 3.38Å
275	L	94.5	Very high	93.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	140.9	175.2	-60.7	-174.6	0	0	0	111.4	C285 G286 P288 F292 L294 V323	L275-C285 WeakPolarHBondContact O-CA 3.35Å; L275-G286 PolarHBondContact N-O 3.25Å; L275-G286 PolarHBondContact O-N 2.77Å; L275-P288 HydrophobicContact CD1-CB 4.33Å; L275-P288 HydrophobicContact CD1-CG 3.92Å; L275-P288 HydrophobicContact CD2-CG 4.33Å; L275-P288 HydrophobicContact CG-CG 4.23Å; L275-F292 HydrophobicContact CD1-CD1 4.46Å; L275-L294 HydrophobicContact CD1-CD1 3.89Å; L275-L294 HydrophobicContact CD1-CG 4.39Å; L275-L294 HydrophobicContact CD2-CD1 3.74Å; L275-L294 HydrophobicContact CG-CD1 4.49Å; L275-V323 HydrophobicContact CD2-CG1 4.31Å
276	A	95.4	Very high	93.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	123	165	0	0	0	0	0	108.1	V265 C268 Y324 T326	V265-A276 HydrophobicContact CG2-CB 4.22Å; C268-A276 HydrophobicContact CB-CB 3.88Å; C268-A276 VanDerWaalsContact SG-CA 3.56Å; C268-A276 WeakPolarHBondContact SG-CB 3.47Å; A276-Y324 PolarHBondContact N-O 3.29Å; A276-Y324 PolarHBondContact O-N 3.27Å; A276-T326 HydrophobicContact CB-CG2 4.13Å
277	A	95.7	Very high	93.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	125.6	-180	0	0	0	0	0	109.7	L250 Y284 F321 V322 V323	L250-A277 HydrophobicContact CD1-CB 3.7Å; A277-Y284 PolarHBondContact N-O 3.05Å; A277-Y284 PolarHBondContact O-N 3.25Å; A277-F321 HydrophobicContact CB-CB 4.26Å; A277-F321 HydrophobicContact CB-CD2 3.97Å; A277-F321 HydrophobicContact CB-CE2 4.46Å; A277-F321 HydrophobicContact CB-CG 4.15Å; A277-V322 CarbonylContact C-O 3.56Å; A277-V322 WeakPolarHBondContact CA-O 3.4Å; A277-V323 HydrophobicContact CB-CG2 4Å
278	L	94.6	Very high	93.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	136.9	-176.8	-63.4	87.6	0	0	0	110.3	M259 V261 C264 C315 F321 V322 Y324	M259-L278 HydrophobicContact CG-CD2 4.17Å; M259-L278 HydrophobicContact SD-CD2 4.18Å; V261-L278 HydrophobicContact CG2-CD2 4.32Å; C264-L278 HydrophobicContact CB-CD1 4.16Å; C264-L278 HydrophobicContact CB-CD2 3.94Å; C264-L278 HydrophobicContact CB-CG 3.91Å; L278-C315 CarbonylContact C-O 2.95Å; L278-C315 HydrophobicContact CB-CB 4.4Å; L278-C315 VanDerWaalsContact CB-O 3.27Å; L278-C315 WeakPolarHBondContact CB-O 3.44Å; L278-C315 HydrophobicContact CD2-CB 4.32Å; L278-C315 VanDerWaalsContact CD2-SG 3.52Å; L278-C315 VanDerWaalsContact O-O 3.09Å; L278-F321 WeakPolarHBondContact O-CA 3.43Å; L278-V322 HydrophobicContact CB-CB 4.49Å; L278-V322 PolarHBondContact N-O 3.31Å; L278-V322 PolarHBondContact O-N 3.33Å; L278-V322 VanDerWaalsContact O-N 3.12Å; L278-Y324 HydrophobicContact CD1-CD2 3.67Å; L278-Y324 HydrophobicContact CD1-CE2 3.98Å
279	A	93.3	Very high	93.6	Very high	8 Å²	8	40.4 Å²	40.4	7%	0.066	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	97.9	167.3	0	0	0	0	0	109.6	E281 R282 Y284 C315 N317 F321	A279-E281 PolarHBondContact O-N 2.05Å; A279-E281 VanDerWaalsContact O-N 3.12Å; A279-R282 PolarHBondContact N-O 3.29Å; A279-R282 PolarHBondContact O-N 3.24Å; A279-Y284 HydrophobicContact CB-CE2 4.14Å; A279-C315 CarbonylContact C-O 3.06Å; A279-C315 WeakPolarHBondContact CA-O 3.31Å; A279-C315 PolarHBondContact N-O 2.82Å; A279-C315 VanDerWaalsContact N-O 3.09Å; A279-N317 VanDerWaalsContact CB-O 3.29Å; A279-N317 WeakPolarHBondContact CB-O 3.49Å; A279-F321 HydrophobicContact CB-CD1 3.67Å; A279-F321 HydrophobicContact CB-CE1 3.57Å
280	G	89.9	Confident	93.5	Very high	10 Å²	10	42.2 Å²	42.2	10%	0.103	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	-112.9	-177	0	0	0	0	0	111.8	M259 C315 G316	M259-G280 WeakPolarHBondContact CG-O 3.43Å; G280-C315 PolarHBondContact N-O 3.47Å; G280-G316 PolarHBondContact N-O 2.87Å
281	E	90.5	Very high	93.3	Very high	111 Å²	111	39.1 Å²	39.1	52%	0.519	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-0.1	178.9	-59.6	-170.3	155.2	0	0	114.3	V255 I256 M259 A279 P308	V255-E281 WeakPolarHBondContact CA-O 3.08Å; V255-E281 HydrophobicContact CG1-CB 4.33Å; I256-E281 PolarHBondContact N-O 3.17Å; M259-E281 WeakPolarHBondContact CE-O 3.42Å; A279-E281 PolarHBondContact O-N 2.05Å; A279-E281 VanDerWaalsContact O-N 3.12Å; E281-P308 HydrophobicContact CG-CG 4.28Å
282	R	93.3	Very high	93.3	Very high	131 Å²	131	34.1 Å²	34.1	49%	0.494	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	132.2	179.9	-69.1	-177	-174.6	-141.5	2.7	111.8	A254 V255 M259 A279 Y284	A254-R282 WeakPolarHBondContact O-CA 3.45Å; V255-R282 HydrophobicContact CG2-CG 3.96Å; M259-R282 VanDerWaalsContact CE-C 3.42Å; A279-R282 PolarHBondContact N-O 3.29Å; A279-R282 PolarHBondContact O-N 3.24Å; R282-Y284 HydrophobicContact CB-CD2 4.4Å; R282-Y284 HydrophobicContact CB-CE2 3.6Å; R282-Y284 VanDerWaalsContact CD-OH 3.31Å; R282-Y284 WeakPolarHBondContact CD-OH 3.47Å
283	C	95.3	Very high	92.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	132.9	170.7	175.3	0	0	0	0	108.9	S253 A254 I256 M259 C264 M267	S253-C283 CarbonylContact C-O 3.57Å; S253-C283 WeakPolarHBondContact CA-O 3.31Å; A254-C283 PolarHBondContact N-O 3.4Å; A254-C283 PolarHBondContact O-N 3.46Å; I256-C283 HydrophobicContact CD1-CB 3.75Å; I256-C283 HydrophobicContact CG1-CB 4.38Å; M259-C283 HydrophobicContact CE-CB 3.68Å; M259-C283 HydrophobicContact SD-CB 4.29Å; C264-C283 WeakPolarHBondContact CA-SG 3.28Å; C264-C283 HydrophobicContact CB-CB 3.68Å; C264-C283 WeakPolarHBondContact CB-SG 3.48Å; C264-C283 PolarHBondContact O-SG 2.99Å; C264-C283 WeakPolarHBondContact SG-CB 3.43Å; C264-C283 CovalentContact SG-SG 2.03Å; C264-C283 PolarHBondContact SG-SG 3.04Å; M267-C283 HydrophobicContact CE-CB 3.84Å; M267-C283 WeakPolarHBondContact CE-SG 3.26Å
284	Y	96.7	Very high	92.6	Very high	20 Å²	20	28.8 Å²	28.8	8%	0.078	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	136.7	178.2	-61.7	-93.6	0	0	0	109.7	V246 F252 A277 A279 R282 F321	V246-Y284 HydrophobicContact CG1-CD1 3.44Å; V246-Y284 VanDerWaalsContact CG1-CD1 3.44Å; V246-Y284 HydrophobicContact CG1-CE1 3.4Å; V246-Y284 HydrophobicContact CG1-CG 4.17Å; F252-Y284 CarbonylContact O-C 3.53Å; F252-Y284 WeakPolarHBondContact O-CA 3.18Å; A277-Y284 PolarHBondContact N-O 3.05Å; A277-Y284 PolarHBondContact O-N 3.25Å; A279-Y284 HydrophobicContact CB-CE2 4.14Å; R282-Y284 HydrophobicContact CB-CD2 4.4Å; R282-Y284 HydrophobicContact CB-CE2 3.6Å; R282-Y284 VanDerWaalsContact CD-OH 3.31Å; R282-Y284 WeakPolarHBondContact CD-OH 3.47Å; Y284-F321 AromaticContact CD2-CE1 3.92Å; Y284-F321 HydrophobicContact CD2-CE1 3.92Å; Y284-F321 AromaticContact CD2-CZ 3.85Å; Y284-F321 HydrophobicContact CD2-CZ 3.85Å; Y284-F321 AromaticContact CE2-CE1 3.91Å; Y284-F321 HydrophobicContact CE2-CE1 3.91Å; Y284-F321 HydrophobicContact CE2-CZ 4.03Å; Y284-F321 HydrophobicContact CG-CZ 4.22Å
285	C	96.2	Very high	92.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	137.7	-176.5	-48.9	0	0	0	0	111.4	F252 M267 C268 K273 L275	F252-C285 HydrophobicContact CB-CB 4.11Å; F252-C285 PolarHBondContact N-O 2.68Å; F252-C285 PolarHBondContact O-N 2.88Å; M267-C285 WeakPolarHBondContact CE-SG 3.48Å; C268-C285 WeakPolarHBondContact CA-SG 3.39Å; C268-C285 HydrophobicContact CB-CB 3.66Å; C268-C285 WeakPolarHBondContact CB-SG 3.49Å; C268-C285 VanDerWaalsContact SG-CA 3.55Å; C268-C285 WeakPolarHBondContact SG-CB 3.39Å; C268-C285 CovalentContact SG-SG 2.03Å; C268-C285 PolarHBondContact SG-SG 2.94Å; K273-C285 HydrophobicContact CB-CB 3.82Å; K273-C285 HydrophobicContact CG-CB 3.85Å; L275-C285 WeakPolarHBondContact O-CA 3.35Å
286	G	94.6	Very high	91.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.9	-154	-178	0	0	0	0	0	114.2	K273 S274 L275	K273-G286 WeakPolarHBondContact CB-O 3.41Å; S274-G286 PolarHBondContact N-O 2.89Å; S274-G286 VanDerWaalsContact N-O 3.11Å; L275-G286 PolarHBondContact N-O 3.25Å; L275-G286 PolarHBondContact O-N 2.77Å
287	F	93	Very high	91.5	Very high	46 Å²	46	45.8 Å²	45.8	20%	0.202	23%	0.23	C	C	.	.			trans	-129.2	163.6	169.7	-58.1	-82.1	0	0	0	107.4	E272 K273 S274 T289 D330	E272-F287 WeakPolarHBondContact O-CZ 3.24Å; K273-F287 HydrophobicContact CD-CD2 4.19Å; K273-F287 HydrophobicContact CD-CE2 3.61Å; K273-F287 HydrophobicContact CD-CZ 3.97Å; S274-F287 WeakPolarHBondContact OG-CD1 3.47Å; F287-T289 PolarHBondContact O-N 2.89Å; F287-D330 HydrophobicContact CD1-CB 4.03Å; F287-D330 HydrophobicContact CE1-CB 4.36Å
288	P	91.9	Very high	91.3	Very high	13 Å²	13	49.5 Å²	49.5	8%	0.084	25%	0.247	C	C	.	.			trans	-62.8	129.6	171.6	-14.5	27	0	0	0	109.9	L275 L294 R332 L511	L275-P288 HydrophobicContact CD1-CB 4.33Å; L275-P288 HydrophobicContact CD1-CG 3.92Å; L275-P288 HydrophobicContact CD2-CG 4.33Å; L275-P288 HydrophobicContact CG-CG 4.23Å; P288-L294 HydrophobicContact CG-CD1 4.48Å; P288-R332 PolarHBondContact O-NH1 3.11Å; P288-R332 PolarHBondContact O-NH2 2.87Å; P288-L511 HydrophobicContact CB-CB 4.22Å
289	T	91.5	Very high	90.8	Very high	23 Å²	23	54.5 Å²	54.5	14%	0.141	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-127.3	165.8	-178.1	58.9	0	0	0	0	110.4	F287 L291 F292 S293 L511	F287-T289 PolarHBondContact O-N 2.89Å; T289-L291 PolarHBondContact O-N 2.97Å; T289-L291 VanDerWaalsContact O-N 3.14Å; T289-F292 PolarHBondContact N-O 2.93Å; T289-F292 VanDerWaalsContact N-O 3.11Å; T289-F292 CarbonylContact O-C 3.58Å; T289-F292 WeakPolarHBondContact O-CA 3.49Å; T289-F292 PolarHBondContact O-N 3.17Å; T289-F292 VanDerWaalsContact O-O 3.13Å; T289-F292 PolarHBondContact OG1-N 2.88Å; T289-S293 WeakPolarHBondContact O-CA 3.48Å; T289-S293 PolarHBondContact O-N 3.34Å; T289-S293 VanDerWaalsContact O-N 3.07Å; T289-L511 WeakPolarHBondContact O-CD1 3.35Å
290	P	89.6	Confident	90.3	Very high	71 Å²	71	57.9 Å²	57.9	46%	0.461	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-21.9	174.4	-26.6	36.7	0	0	0	114	E507 D508 L511	P290-E507 HydrophobicContact CG-CB 4.07Å; P290-D508 WeakPolarHBondContact CD-OD1 3.32Å; P290-L511 HydrophobicContact CG-CD1 4.3Å
291	L	90.9	Very high	90	Very high	100 Å²	100	62.9 Å²	62.9	52%	0.524	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-13	172.7	-61	177.2	0	0	0	113.3	P243 A248 A249 T289	P243-L291 WeakPolarHBondContact CB-O 3.33Å; A248-L291 HydrophobicContact CB-CD1 3.61Å; A249-L291 HydrophobicContact CB-CB 3.92Å; T289-L291 PolarHBondContact O-N 2.97Å; T289-L291 VanDerWaalsContact O-N 3.14Å
292	F	91.9	Very high	89.8	Confident	10 Å²	10	62.1 Å²	62.1	4%	0.044	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-157.3	75.1	-178.3	-163.1	-118.8	0	0	0	109.8	F240 P243 A249 L250 L275 T289 L294 F321 V323	F240-F292 HydrophobicContact CB-CE2 3.75Å; F240-F292 HydrophobicContact CB-CZ 3.78Å; F240-F292 HydrophobicContact CG-CE2 4.45Å; F240-F292 HydrophobicContact CG-CZ 4.22Å; P243-F292 HydrophobicContact CG-CB 4.49Å; P243-F292 HydrophobicContact CG-CD2 4.06Å; P243-F292 HydrophobicContact CG-CG 4.48Å; A249-F292 HydrophobicContact CB-CB 3.98Å; L250-F292 HydrophobicContact CD1-CD1 4.33Å; L250-F292 HydrophobicContact CD1-CE1 4.26Å; L250-F292 HydrophobicContact CD2-CD1 4.27Å; L250-F292 HydrophobicContact CG-CD1 4.45Å; L275-F292 HydrophobicContact CD1-CD1 4.46Å; T289-F292 PolarHBondContact N-O 2.93Å; T289-F292 VanDerWaalsContact N-O 3.11Å; T289-F292 CarbonylContact O-C 3.58Å; T289-F292 WeakPolarHBondContact O-CA 3.49Å; T289-F292 PolarHBondContact O-N 3.17Å; T289-F292 VanDerWaalsContact O-O 3.13Å; T289-F292 PolarHBondContact OG1-N 2.88Å; F292-L294 HydrophobicContact CD1-CD2 3.83Å; F292-L294 HydrophobicContact CE1-CD2 3.42Å; F292-L294 VanDerWaalsContact CE1-CD2 3.42Å; F292-L294 HydrophobicContact CE2-CD2 4.49Å; F292-L294 HydrophobicContact CZ-CD2 3.79Å; F292-F321 HydrophobicContact CE1-CD2 4.35Å; F292-F321 HydrophobicContact CE2-CD2 4.02Å; F292-F321 HydrophobicContact CZ-CB 4.36Å; F292-F321 AromaticContact CZ-CD2 3.71Å; F292-F321 HydrophobicContact CZ-CD2 3.71Å; F292-V323 HydrophobicContact CE1-CG2 3.81Å; F292-V323 HydrophobicContact CZ-CG2 3.62Å
293	S	85.5	Confident	89.5	Confident	32 Å²	32	56.1 Å²	56.1	22%	0.224	29%	0.288	C	S	.	.			trans	-80.9	-16.2	-170.1	61.8	0	0	0	0	114.2	T289 H295	T289-S293 WeakPolarHBondContact O-CA 3.48Å; T289-S293 PolarHBondContact O-N 3.34Å; T289-S293 VanDerWaalsContact O-N 3.07Å; S293-H295 PolarHBondContact O-N 3.12Å; S293-H295 PolarHBondContact OG-N 2.81Å; S293-H295 PolarHBondContact OG-ND1 2.97Å
294	L	87.9	Confident	88.8	Confident	29 Å²	29	61.3 Å²	61.3	15%	0.152	32%	0.315	C	S	.	.	S	Bend	trans	62.7	22.6	-169.7	-47.8	179.4	0	0	0	114.5	K237 F240 L275 P288 F292 V323	K237-L294 HydrophobicContact CG-CD1 4.44Å; F240-L294 HydrophobicContact CD1-CB 4.47Å; F240-L294 HydrophobicContact CD1-CD2 4Å; F240-L294 HydrophobicContact CD2-CD2 4.09Å; F240-L294 VanDerWaalsContact CE1-CA 3.45Å; F240-L294 HydrophobicContact CE1-CB 3.76Å; F240-L294 HydrophobicContact CE1-CD2 3.96Å; F240-L294 HydrophobicContact CE1-CG 4.48Å; F240-L294 WeakPolarHBondContact CE1-O 3.37Å; F240-L294 HydrophobicContact CE2-CD2 4Å; F240-L294 HydrophobicContact CG-CD2 4.08Å; F240-L294 HydrophobicContact CZ-CB 3.9Å; F240-L294 HydrophobicContact CZ-CD2 3.94Å; F240-L294 HydrophobicContact CZ-CG 4.45Å; L275-L294 HydrophobicContact CD1-CD1 3.89Å; L275-L294 HydrophobicContact CD1-CG 4.39Å; L275-L294 HydrophobicContact CD2-CD1 3.74Å; L275-L294 HydrophobicContact CG-CD1 4.49Å; P288-L294 HydrophobicContact CG-CD1 4.48Å; F292-L294 HydrophobicContact CD1-CD2 3.83Å; F292-L294 HydrophobicContact CE1-CD2 3.42Å; F292-L294 VanDerWaalsContact CE1-CD2 3.42Å; F292-L294 HydrophobicContact CE2-CD2 4.49Å; F292-L294 HydrophobicContact CZ-CD2 3.79Å; L294-V323 HydrophobicContact CD1-CG1 4.26Å; L294-V323 HydrophobicContact CD2-CB 4.48Å; L294-V323 HydrophobicContact CD2-CG1 4.03Å; L294-V323 HydrophobicContact CD2-CG2 4.24Å
295	H	85.8	Confident	88.1	Confident	86 Å²	86	65.8 Å²	65.8	40%	0.398	33%	0.333	S	S	.	.			trans	-86.9	-34	175.8	-60.7	161.1	0	0	0	113.1	S293 L297 F491 E514	S293-H295 PolarHBondContact O-N 3.12Å; S293-H295 PolarHBondContact OG-N 2.81Å; S293-H295 PolarHBondContact OG-ND1 2.97Å; H295-L297 PolarHBondContact O-N 3.2Å; H295-F491 AromaticContact CE1-CD2 3.81Å; H295-F491 AromaticContact CE1-CG 3.83Å; H295-E514 IonicContact CD2-OE2 3.03Å; H295-E514 IonicContact CE1-OE2 2.66Å; H295-E514 IonicContact NE2-OE1 3.89Å; H295-E514 IonicContact NE2-OE2 2.63Å; H295-E514 PolarHBondContact NE2-OE2 3.08Å
296	E	86	Confident	87.6	Confident	163 Å²	163	75.1 Å²	75.1	76%	0.762	37%	0.368	S	S	*	.	S	Bend	trans	-94.2	94.9	-178.6	-67.8	173.2	178.9	0	0	109	F240	F240-E296 WeakPolarHBondContact CD1-O 3.05Å
297	L	87.9	Confident	87	Confident	109 Å²	109	75.3 Å²	75.3	57%	0.571	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-83.3	129.8	176.9	-80.6	156	0	0	0	110.2	F240 H295	F240-L297 HydrophobicContact CE1-CD2 3.67Å; F240-L297 HydrophobicContact CE1-CG 3.92Å; F240-L297 HydrophobicContact CE2-CD2 4.06Å; F240-L297 HydrophobicContact CZ-CD2 3.39Å; F240-L297 HydrophobicContact CZ-CG 4.09Å; H295-L297 PolarHBondContact O-N 3.2Å
298	E	90.4	Very high	86.5	Confident	78 Å²	78	75.9 Å²	75.9	36%	0.364	38%	0.378	S	S	.	.	B	Isolated β-bridge	trans	-91.2	165.2	169.7	-65.3	-67.2	175.6	0	0	110.7	C239 H241 F320	C239-E298 HydrophobicContact CB-CB 4.18Å; C239-E298 PolarHBondContact O-N 3.42Å; H241-E298 HydrophobicContact CB-CG 4.26Å; E298-F320 HydrophobicContact CB-CD1 4.3Å; E298-F320 HydrophobicContact CB-CE1 4.36Å; E298-F320 HydrophobicContact CG-CD1 4Å; E298-F320 HydrophobicContact CG-CE1 3.86Å
299	D	85.3	Confident	85.8	Confident	104 Å²	104	76.8 Å²	76.8	56%	0.556	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-61.4	137.5	173.3	-157.9	-42.8	0	0	0	110.5	C239 D301 M302	C239-D299 WeakPolarHBondContact CB-O 3.43Å; C239-D299 PolarHBondContact SG-O 3.45Å; C239-D299 VanDerWaalsContact SG-O 3.42Å; D299-D301 PolarHBondContact O-N 2.88Å; D299-D301 PolarHBondContact OD1-N 3.36Å; D299-M302 HydrophobicContact CB-CG 4.12Å; D299-M302 WeakPolarHBondContact O-CB 3.46Å; D299-M302 PolarHBondContact O-N 3.41Å; D299-M302 VanDerWaalsContact O-N 3.12Å
300	E	82.6	Confident	85	Confident	80 Å²	80	80 Å²	80	37%	0.374	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-60.6	-31	179.8	-67.8	-176.2	-170	0	0	111.1	R229 F236 M302 C303	R229-E300 IonicContact CZ-OE1 3.75Å; R229-E300 IonicContact NE-OE1 3.39Å; R229-E300 IonicContact NH2-OE1 2.78Å; R229-E300 PolarHBondContact NH2-OE1 2.83Å; F236-E300 HydrophobicContact CE1-CG 4.48Å; F236-E300 HydrophobicContact CZ-CG 4.28Å; E300-M302 VanDerWaalsContact C-N 3.27Å; E300-M302 PolarHBondContact O-N 3.4Å; E300-C303 PolarHBondContact O-N 3.45Å; E300-C303 VanDerWaalsContact O-N 3.11Å
301	D	83.6	Confident	83.9	Confident	115 Å²	115	83.8 Å²	83.8	62%	0.615	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-61	-32.1	177.4	-79	-3.9	0	0	0	113	D299 C303 L304	D299-D301 PolarHBondContact O-N 2.88Å; D299-D301 PolarHBondContact OD1-N 3.36Å; D301-C303 PolarHBondContact O-N 3.18Å; D301-L304 HydrophobicContact CB-CD1 4.31Å; D301-L304 WeakPolarHBondContact O-CB 3.45Å; D301-L304 PolarHBondContact O-N 2.79Å; D301-L304 WeakPolarHBondContact OD1-CD1 3.34Å
302	M	86.3	Confident	82.8	Confident	95 Å²	95	87.8 Å²	87.8	47%	0.468	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-68.8	-17.9	178.9	-60.7	-67.1	-77	0	0	112.8	D299 E300 N317 F320	D299-M302 HydrophobicContact CB-CG 4.12Å; D299-M302 WeakPolarHBondContact O-CB 3.46Å; D299-M302 PolarHBondContact O-N 3.41Å; D299-M302 VanDerWaalsContact O-N 3.12Å; E300-M302 VanDerWaalsContact C-N 3.27Å; E300-M302 PolarHBondContact O-N 3.4Å; M302-N317 PolarHBondContact O-ND2 2.86Å; M302-F320 HydrophobicContact CB-CD1 4.29Å; M302-F320 HydrophobicContact CB-CD2 4.26Å; M302-F320 HydrophobicContact CB-CE1 4.31Å; M302-F320 HydrophobicContact CB-CE2 4.29Å; M302-F320 HydrophobicContact CB-CG 4.27Å; M302-F320 HydrophobicContact CB-CZ 4.32Å; M302-F320 HydrophobicContact CE-CE1 4.37Å; M302-F320 HydrophobicContact CE-CE2 3.68Å; M302-F320 HydrophobicContact CE-CZ 3.5Å; M302-F320 VanDerWaalsContact CE-CZ 3.5Å
303	C	86.4	Confident	82	Confident	4 Å²	4	88 Å²	88	3%	0.027	43%	0.429	C	S	.	.	G	3₁₀ helix	trans	-100.9	0.5	178.2	-85	0	0	0	0	114.3	C239 E300 D301 Y305 F321 V322	C239-C303 WeakPolarHBondContact CA-SG 3.43Å; C239-C303 HydrophobicContact CB-CB 3.65Å; C239-C303 WeakPolarHBondContact CB-SG 3.29Å; C239-C303 WeakPolarHBondContact SG-CB 3.44Å; C239-C303 CovalentContact SG-SG 2.03Å; C239-C303 PolarHBondContact SG-SG 3.32Å; E300-C303 PolarHBondContact O-N 3.45Å; E300-C303 VanDerWaalsContact O-N 3.11Å; D301-C303 PolarHBondContact O-N 3.18Å; C303-Y305 VanDerWaalsContact C-N 3.25Å; C303-Y305 PolarHBondContact O-N 3.13Å; C303-F321 VanDerWaalsContact SG-C 3.57Å; C303-F321 PolarHBondContact SG-O 3.18Å; C303-F321 VanDerWaalsContact SG-O 3.34Å; C303-V322 HydrophobicContact CB-CG2 3.57Å
304	L	80.4	Confident	81.9	Confident	110 Å²	110	88 Å²	88	58%	0.576	43%	0.429	S	S	*	.			trans	-71.9	74.5	-176.4	-70.4	179.3	0	0	0	112.9	D301	D301-L304 HydrophobicContact CB-CD1 4.31Å; D301-L304 WeakPolarHBondContact O-CB 3.45Å; D301-L304 PolarHBondContact O-N 2.79Å; D301-L304 WeakPolarHBondContact OD1-CD1 3.34Å
305	Y	83	Confident	81.8	Confident	114 Å²	114	86.6 Å²	86.6	45%	0.447	42%	0.422	S	S	.	.			trans	-118.6	122.3	169.7	-176.8	-89.2	0	0	0	109.1	C303 S314 C315 G316	C303-Y305 VanDerWaalsContact C-N 3.25Å; C303-Y305 PolarHBondContact O-N 3.13Å; Y305-S314 CarbonylContact O-C 3.57Å; Y305-S314 WeakPolarHBondContact O-CA 3.34Å; Y305-C315 PolarHBondContact O-N 2.97Å; Y305-G316 VanDerWaalsContact CB-O 3.23Å; Y305-G316 WeakPolarHBondContact CB-O 3.21Å; Y305-G316 VanDerWaalsContact CD1-O 3.32Å; Y305-G316 WeakPolarHBondContact CD1-O 3.44Å
306	R	84.4	Confident	82	Confident	195 Å²	195	82.5 Å²	82.5	74%	0.736	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.1	136.2	-173.2	-67.3	-177.8	-176.3	126.2	6.3	111.8	P308 E311 E313	R306-P308 WeakPolarHBondContact O-CD 3.41Å; R306-E311 WeakPolarHBondContact CD-O 3.29Å; R306-E313 WeakPolarHBondContact CA-O 3.41Å
307	C	82.7	Confident	82.2	Confident	4 Å²	4	76.7 Å²	76.7	3%	0.027	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	127.7	174	-68	0	0	0	0	111.5	M259 G309 E310 E313 C315	M259-C307 WeakPolarHBondContact O-CB 3.27Å; C307-G309 PolarHBondContact O-N 2.86Å; C307-G309 VanDerWaalsContact O-N 3.1Å; C307-E310 CarbonylContact O-C 3.53Å; C307-E310 PolarHBondContact O-N 2.94Å; C307-E313 HydrophobicContact CB-CB 3.82Å; C307-E313 PolarHBondContact N-O 3.2Å; C307-E313 VanDerWaalsContact SG-C 3.58Å; C307-E313 WeakPolarHBondContact SG-CB 3.29Å; C307-C315 WeakPolarHBondContact CA-SG 3.45Å; C307-C315 HydrophobicContact CB-CB 4.04Å; C307-C315 WeakPolarHBondContact CB-SG 3.19Å; C307-C315 VanDerWaalsContact SG-CA 3.58Å; C307-C315 WeakPolarHBondContact SG-CB 3.21Å; C307-C315 PolarHBondContact SG-N 3Å; C307-C315 VanDerWaalsContact SG-N 3.38Å; C307-C315 CovalentContact SG-SG 2.03Å; C307-C315 PolarHBondContact SG-SG 3.07Å
308	P	82	Confident	82.2	Confident	59 Å²	59	77.4 Å²	77.4	38%	0.383	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-17.8	177.6	-28.5	36.4	0	0	0	115.7	E281 R306	E281-P308 HydrophobicContact CG-CG 4.28Å; R306-P308 WeakPolarHBondContact O-CD 3.41Å
309	G	76.8	Confident	82.3	Confident	32 Å²	32	78.4 Å²	78.4	33%	0.33	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-22	176.6	0	0	0	0	0	115.7	N258 M259 C307	N258-G309 WeakPolarHBondContact O-CA 3.5Å; M259-G309 WeakPolarHBondContact O-CA 3.44Å; M259-G309 PolarHBondContact O-N 3.26Å; C307-G309 PolarHBondContact O-N 2.86Å; C307-G309 VanDerWaalsContact O-N 3.1Å
310	E	76.5	Confident	82.7	Confident	90 Å²	90	74.5 Å²	74.5	42%	0.421	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	110.7	-175.5	-82.4	-68.2	174.1	0	0	109.7	C307 F312 E313	C307-E310 CarbonylContact O-C 3.53Å; C307-E310 PolarHBondContact O-N 2.94Å; E310-F312 PolarHBondContact O-N 3.02Å; E310-E313 HydrophobicContact CB-CB 4.24Å; E310-E313 HydrophobicContact CB-CG 3.81Å; E310-E313 PolarHBondContact O-N 3.32Å; E310-E313 VanDerWaalsContact O-N 3.11Å
311	E	65.1	Low	83.3	Confident	150 Å²	150	70.7 Å²	70.7	70%	0.701	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.1	-17.7	-169	-61.7	-173.7	156.8	0	0	115.2	R306	R306-E311 WeakPolarHBondContact CD-O 3.29Å
312	F	67.6	Low	83.8	Confident	184 Å²	184	65.4 Å²	65.4	81%	0.807	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.5	-4.4	-177.4	-57.1	-78.4	0	0	0	113.6	E310	E310-F312 PolarHBondContact O-N 3.02Å
313	E	76.2	Confident	84.1	Confident	14 Å²	14	60.9 Å²	60.9	7%	0.065	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	151.3	177.3	-66.5	179	-176	0	0	111.3	Y231 S260 V261 R306 C307 E310	Y231-E313 WeakPolarHBondContact CE1-OE1 3.43Å; Y231-E313 PolarHBondContact OH-OE1 3.28Å; S260-E313 WeakPolarHBondContact CA-OE2 3.44Å; S260-E313 WeakPolarHBondContact CB-OE2 3.34Å; V261-E313 HydrophobicContact CG2-CB 4.19Å; V261-E313 HydrophobicContact CG2-CG 4.27Å; V261-E313 WeakPolarHBondContact CG2-OE2 3.32Å; V261-E313 PolarHBondContact N-OE2 2.8Å; R306-E313 WeakPolarHBondContact CA-O 3.41Å; C307-E313 HydrophobicContact CB-CB 3.82Å; C307-E313 PolarHBondContact N-O 3.2Å; C307-E313 VanDerWaalsContact SG-C 3.58Å; C307-E313 WeakPolarHBondContact SG-CB 3.29Å; E310-E313 HydrophobicContact CB-CB 4.24Å; E310-E313 HydrophobicContact CB-CG 3.81Å; E310-E313 PolarHBondContact O-N 3.32Å; E310-E313 VanDerWaalsContact O-N 3.11Å
314	S	83.1	Confident	84.4	Confident	33 Å²	33	61.8 Å²	61.8	23%	0.231	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	125.3	174.9	-64.2	0	0	0	0	110.9	Y305	Y305-S314 CarbonylContact O-C 3.57Å; Y305-S314 WeakPolarHBondContact O-CA 3.34Å
315	C	86.6	Confident	84.9	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.281	C	S	.	.			trans	-110.7	8.7	-173.1	-87.4	0	0	0	0	113.7	M259 L278 A279 G280 Y305 C307	M259-C315 WeakPolarHBondContact CG-SG 3.48Å; L278-C315 CarbonylContact C-O 2.95Å; L278-C315 HydrophobicContact CB-CB 4.4Å; L278-C315 VanDerWaalsContact CB-O 3.27Å; L278-C315 WeakPolarHBondContact CB-O 3.44Å; L278-C315 HydrophobicContact CD2-CB 4.32Å; L278-C315 VanDerWaalsContact CD2-SG 3.52Å; L278-C315 VanDerWaalsContact O-O 3.09Å; A279-C315 CarbonylContact C-O 3.06Å; A279-C315 WeakPolarHBondContact CA-O 3.31Å; A279-C315 PolarHBondContact N-O 2.82Å; A279-C315 VanDerWaalsContact N-O 3.09Å; G280-C315 PolarHBondContact N-O 3.47Å; Y305-C315 PolarHBondContact O-N 2.97Å; C307-C315 WeakPolarHBondContact CA-SG 3.45Å; C307-C315 HydrophobicContact CB-CB 4.04Å; C307-C315 WeakPolarHBondContact CB-SG 3.19Å; C307-C315 VanDerWaalsContact SG-CA 3.58Å; C307-C315 WeakPolarHBondContact SG-CB 3.21Å; C307-C315 PolarHBondContact SG-N 3Å; C307-C315 VanDerWaalsContact SG-N 3.38Å; C307-C315 CovalentContact SG-SG 2.03Å; C307-C315 PolarHBondContact SG-SG 3.07Å
316	G	88.4	Confident	85.3	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.262	C	S	.	.			trans	64.7	179.5	-175.8	0	0	0	0	0	113	G280 Y305 F320	G280-G316 PolarHBondContact N-O 2.87Å; Y305-G316 VanDerWaalsContact CB-O 3.23Å; Y305-G316 WeakPolarHBondContact CB-O 3.21Å; Y305-G316 VanDerWaalsContact CD1-O 3.32Å; Y305-G316 WeakPolarHBondContact CD1-O 3.44Å; G316-F320 CarbonylContact C-O 3.6Å; G316-F320 WeakPolarHBondContact CA-O 3.31Å
317	N	90.1	Very high	85.3	Confident	41 Å²	41	47.9 Å²	47.9	22%	0.219	25%	0.247	C	C	.	.			trans	-134.7	-170.2	-175.1	60	54.8	0	0	0	111.1	A279 M302 N319 F320	A279-N317 VanDerWaalsContact CB-O 3.29Å; A279-N317 WeakPolarHBondContact CB-O 3.49Å; M302-N317 PolarHBondContact O-ND2 2.86Å; N317-N319 PolarHBondContact O-N 3.08Å; N317-N319 PolarHBondContact OD1-N 3.47Å; N317-F320 PolarHBondContact N-O 3.2Å; N317-F320 VanDerWaalsContact O-O 3.14Å; N317-F320 PolarHBondContact OD1-N 3.33Å
318	D	88.8	Confident	85.6	Confident	123 Å²	123	49.2 Å²	49.2	66%	0.658	26%	0.255	S	S	*	.	S	Bend	trans	-62.6	-26.1	-176.8	-72	-49.2	0	0	0	114	R242	R242-D318 VanDerWaalsContact CD-O 3.31Å; R242-D318 WeakPolarHBondContact CD-O 3.32Å; R242-D318 VanDerWaalsContact CZ-O 3.28Å; R242-D318 PolarHBondContact NE-O 3.42Å; R242-D318 PolarHBondContact NH1-O 3.39Å
319	N	91.9	Very high	85.7	Confident	99 Å²	99	52 Å²	52	53%	0.529	26%	0.263	S	S	.	.	S	Bend	trans	-103.7	-24.5	-177.1	-63.6	-22	0	0	0	113.3	R242 N317	R242-N319 WeakPolarHBondContact CB-O 3.32Å; R242-N319 PolarHBondContact N-O 2.86Å; N317-N319 PolarHBondContact O-N 3.08Å; N317-N319 PolarHBondContact OD1-N 3.47Å
320	F	93.9	Very high	86.3	Confident	23 Å²	23	50.9 Å²	50.9	10%	0.101	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	133	-172.5	-61.5	-83.9	0	0	0	112.7	F240 H241 E298 M302 G316 N317	F240-F320 CarbonylContact O-C 3.52Å; F240-F320 WeakPolarHBondContact O-CA 3.4Å; H241-F320 HydrophobicContact CB-CD1 4.43Å; H241-F320 HydrophobicContact CB-CE1 4.35Å; H241-F320 AromaticContact CD2-CE1 3.75Å; E298-F320 HydrophobicContact CB-CD1 4.3Å; E298-F320 HydrophobicContact CB-CE1 4.36Å; E298-F320 HydrophobicContact CG-CD1 4Å; E298-F320 HydrophobicContact CG-CE1 3.86Å; M302-F320 HydrophobicContact CB-CD1 4.29Å; M302-F320 HydrophobicContact CB-CD2 4.26Å; M302-F320 HydrophobicContact CB-CE1 4.31Å; M302-F320 HydrophobicContact CB-CE2 4.29Å; M302-F320 HydrophobicContact CB-CG 4.27Å; M302-F320 HydrophobicContact CB-CZ 4.32Å; M302-F320 HydrophobicContact CE-CE1 4.37Å; M302-F320 HydrophobicContact CE-CE2 3.68Å; M302-F320 HydrophobicContact CE-CZ 3.5Å; M302-F320 VanDerWaalsContact CE-CZ 3.5Å; G316-F320 CarbonylContact C-O 3.6Å; G316-F320 WeakPolarHBondContact CA-O 3.31Å; N317-F320 PolarHBondContact N-O 3.2Å; N317-F320 VanDerWaalsContact O-O 3.14Å; N317-F320 PolarHBondContact OD1-N 3.33Å
321	F	95	Very high	86.9	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	131.4	177.2	-71.8	-18	0	0	0	112.2	F240 R242 V246 L250 A277 L278 A279 Y284 F292 C303 V323	F240-F321 PolarHBondContact N-O 3.18Å; F240-F321 PolarHBondContact O-N 3.39Å; R242-F321 HydrophobicContact CB-CD1 4.41Å; R242-F321 HydrophobicContact CB-CE1 4.26Å; R242-F321 HydrophobicContact CB-CZ 4.34Å; R242-F321 HydrophobicContact CG-CD1 4.36Å; R242-F321 HydrophobicContact CG-CE1 3.73Å; R242-F321 HydrophobicContact CG-CE2 3.95Å; R242-F321 HydrophobicContact CG-CZ 3.53Å; V246-F321 HydrophobicContact CG1-CE2 4.28Å; V246-F321 HydrophobicContact CG1-CZ 3.8Å; V246-F321 HydrophobicContact CG2-CZ 4.28Å; L250-F321 HydrophobicContact CD1-CD2 4.21Å; L250-F321 HydrophobicContact CD1-CE2 3.73Å; A277-F321 HydrophobicContact CB-CB 4.26Å; A277-F321 HydrophobicContact CB-CD2 3.97Å; A277-F321 HydrophobicContact CB-CE2 4.46Å; A277-F321 HydrophobicContact CB-CG 4.15Å; L278-F321 WeakPolarHBondContact O-CA 3.43Å; A279-F321 HydrophobicContact CB-CD1 3.67Å; A279-F321 HydrophobicContact CB-CE1 3.57Å; Y284-F321 AromaticContact CD2-CE1 3.92Å; Y284-F321 HydrophobicContact CD2-CE1 3.92Å; Y284-F321 AromaticContact CD2-CZ 3.85Å; Y284-F321 HydrophobicContact CD2-CZ 3.85Å; Y284-F321 AromaticContact CE2-CE1 3.91Å; Y284-F321 HydrophobicContact CE2-CE1 3.91Å; Y284-F321 HydrophobicContact CE2-CZ 4.03Å; Y284-F321 HydrophobicContact CG-CZ 4.22Å; F292-F321 HydrophobicContact CE1-CD2 4.35Å; F292-F321 HydrophobicContact CE2-CD2 4.02Å; F292-F321 HydrophobicContact CZ-CB 4.36Å; F292-F321 AromaticContact CZ-CD2 3.71Å; F292-F321 HydrophobicContact CZ-CD2 3.71Å; C303-F321 VanDerWaalsContact SG-C 3.57Å; C303-F321 PolarHBondContact SG-O 3.18Å; C303-F321 VanDerWaalsContact SG-O 3.34Å; F321-V323 HydrophobicContact CB-CG2 4.07Å
322	V	93.6	Very high	88.1	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.024	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	120.5	159.3	173.5	0	0	0	0	108.3	F236 A277 L278 C303 Y324	F236-V322 HydrophobicContact CD2-CG1 4.13Å; F236-V322 HydrophobicContact CE2-CG1 3.81Å; A277-V322 CarbonylContact C-O 3.56Å; A277-V322 WeakPolarHBondContact CA-O 3.4Å; L278-V322 HydrophobicContact CB-CB 4.49Å; L278-V322 PolarHBondContact N-O 3.31Å; L278-V322 PolarHBondContact O-N 3.33Å; L278-V322 VanDerWaalsContact O-N 3.12Å; C303-V322 HydrophobicContact CB-CG2 3.57Å; V322-Y324 HydrophobicContact CG1-CD2 4.06Å; V322-Y324 HydrophobicContact CG1-CE2 3.41Å; V322-Y324 VanDerWaalsContact CG1-CE2 3.41Å
323	V	93.9	Very high	89.3	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	131.3	-175.2	-178.6	0	0	0	0	112.4	K237 G238 F240 L275 A277 F292 L294 F321	K237-V323 HydrophobicContact CB-CB 4.31Å; K237-V323 HydrophobicContact CB-CG1 4.2Å; K237-V323 HydrophobicContact CG-CG1 4.41Å; K237-V323 PolarHBondContact N-O 3.3Å; G238-V323 PolarHBondContact O-N 2.78Å; G238-V323 VanDerWaalsContact O-N 3.1Å; F240-V323 HydrophobicContact CB-CG2 4.42Å; F240-V323 HydrophobicContact CD2-CB 3.69Å; F240-V323 HydrophobicContact CD2-CG2 3.41Å; F240-V323 VanDerWaalsContact CD2-CG2 3.41Å; F240-V323 HydrophobicContact CE2-CB 3.8Å; F240-V323 HydrophobicContact CE2-CG2 4.04Å; F240-V323 HydrophobicContact CG-CG2 4.19Å; L275-V323 HydrophobicContact CD2-CG1 4.31Å; A277-V323 HydrophobicContact CB-CG2 4Å; F292-V323 HydrophobicContact CE1-CG2 3.81Å; F292-V323 HydrophobicContact CZ-CG2 3.62Å; L294-V323 HydrophobicContact CD1-CG1 4.26Å; L294-V323 HydrophobicContact CD2-CB 4.48Å; L294-V323 HydrophobicContact CD2-CG1 4.03Å; L294-V323 HydrophobicContact CD2-CG2 4.24Å; F321-V323 HydrophobicContact CB-CG2 4.07Å
324	Y	91.9	Very high	90	Very high	22 Å²	22	40.6 Å²	40.6	9%	0.086	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	141.1	169.9	-67.7	-94	0	0	0	110.7	A234 F236 V261 V265 A276 L278 V322	A234-Y324 HydrophobicContact CB-CD1 4.41Å; F236-Y324 HydrophobicContact CB-CD1 3.9Å; F236-Y324 HydrophobicContact CB-CE1 3.64Å; F236-Y324 AromaticContact CD2-CE1 3.9Å; F236-Y324 HydrophobicContact CD2-CE1 3.9Å; F236-Y324 HydrophobicContact CD2-CE2 4.25Å; F236-Y324 AromaticContact CD2-CZ 3.74Å; F236-Y324 HydrophobicContact CG-CE1 4.27Å; V261-Y324 HydrophobicContact CB-CE2 4.26Å; V261-Y324 HydrophobicContact CG1-CD1 4.04Å; V261-Y324 HydrophobicContact CG1-CD2 3.88Å; V261-Y324 HydrophobicContact CG1-CE1 3.71Å; V261-Y324 HydrophobicContact CG1-CE2 3.52Å; V261-Y324 HydrophobicContact CG1-CG 4.14Å; V261-Y324 VanDerWaalsContact CG1-CZ 3.44Å; V261-Y324 HydrophobicContact CG2-CE2 3.71Å; V265-Y324 HydrophobicContact CG2-CG 4.42Å; A276-Y324 PolarHBondContact N-O 3.29Å; A276-Y324 PolarHBondContact O-N 3.27Å; L278-Y324 HydrophobicContact CD1-CD2 3.67Å; L278-Y324 HydrophobicContact CD1-CE2 3.98Å; V322-Y324 HydrophobicContact CG1-CD2 4.06Å; V322-Y324 HydrophobicContact CG1-CE2 3.41Å; V322-Y324 VanDerWaalsContact CG1-CE2 3.41Å
325	Q	90.9	Very high	90.4	Very high	28 Å²	28	43.8 Å²	43.8	13%	0.131	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	121.3	168.4	177.1	87.9	60.4	0	0	108.8	A234 I235 K237 S274	A234-Q325 CarbonylContact C-O 3.58Å; A234-Q325 WeakPolarHBondContact CA-O 3.45Å; A234-Q325 WeakPolarHBondContact CB-O 3.5Å; I235-Q325 HydrophobicContact CB-CB 4.34Å; I235-Q325 PolarHBondContact N-O 3Å; I235-Q325 PolarHBondContact O-N 3.39Å; K237-Q325 HydrophobicContact CD-CB 4.32Å; K237-Q325 VanDerWaalsContact CE-OE1 3.29Å; K237-Q325 HydrophobicContact CG-CB 4.1Å; S274-Q325 CarbonylContact O-C 3.57Å; S274-Q325 WeakPolarHBondContact O-CA 3.17Å; S274-Q325 PolarHBondContact O-NE2 3.2Å
326	T	91.1	Very high	90.8	Very high	8 Å²	8	47 Å²	47	5%	0.049	23%	0.231	C	C	.	.			trans	-76.7	169.9	175.3	76.3	0	0	0	0	111	V265 C268 K273 S274 A276 V328	V265-T326 HydrophobicContact CG1-CG2 4.49Å; C268-T326 HydrophobicContact CB-CG2 4.07Å; K273-T326 PolarHBondContact O-OG1 3.28Å; S274-T326 WeakPolarHBondContact CA-OG1 3.48Å; S274-T326 PolarHBondContact O-N 3.46Å; S274-T326 PolarHBondContact O-OG1 3.47Å; A276-T326 HydrophobicContact CB-CG2 4.13Å; T326-V328 PolarHBondContact O-N 3.36Å; T326-V328 WeakPolarHBondContact OG1-CB 3.31Å; T326-V328 PolarHBondContact OG1-N 3.17Å; T326-V328 VanDerWaalsContact OG1-N 3.16Å
327	Q	84.7	Confident	91.1	Very high	92 Å²	92	55 Å²	55	43%	0.43	26%	0.262	S	S	.	.	S	Bend	trans	-66.8	-8.8	170.4	65.6	-84.3	33.6	0	0	114.2	S233 T269 Q329	S233-Q327 PolarHBondContact OG-NE2 3.18Å; S233-Q327 PolarHBondContact OG-OE1 3.12Å; T269-Q327 HydrophobicContact CG2-CG 4.23Å; T269-Q327 VanDerWaalsContact CG2-NE2 3.28Å; T269-Q327 PolarHBondContact OG1-NE2 3.46Å; T269-Q327 PolarHBondContact OG1-OE1 3.3Å; Q327-Q329 PolarHBondContact O-N 3.4Å
328	V	89.2	Confident	91.4	Very high	31 Å²	31	55.5 Å²	55.5	19%	0.188	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-72.9	125.4	179.1	-176.7	0	0	0	0	110.4	T269 E272 S274 T326	T269-V328 HydrophobicContact CG2-CG2 4Å; E272-V328 HydrophobicContact CB-CG1 4.45Å; S274-V328 WeakPolarHBondContact CB-O 3.38Å; T326-V328 PolarHBondContact O-N 3.36Å; T326-V328 WeakPolarHBondContact OG1-CB 3.31Å; T326-V328 PolarHBondContact OG1-N 3.17Å; T326-V328 VanDerWaalsContact OG1-N 3.16Å
329	Q	85.1	Confident	91.7	Very high	119 Å²	119	51 Å²	51	56%	0.556	24%	0.238	S	C	*	.	P	Polyproline II helix	trans	-74.3	127.5	175.1	-72.4	-173.6	10.4	0	0	111.1	Q327 N331	Q327-Q329 PolarHBondContact O-N 3.4Å; Q329-N331 PolarHBondContact O-N 3.41Å
330	D	88.6	Confident	91.6	Very high	8 Å²	8	52.6 Å²	52.6	4%	0.043	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-69.2	118.8	167.9	-172.4	-14.6	0	0	0	109.2	F287 R332 C512 Q516	F287-D330 HydrophobicContact CD1-CB 4.03Å; F287-D330 HydrophobicContact CE1-CB 4.36Å; D330-R332 VanDerWaalsContact OD1-CB 3.32Å; D330-R332 WeakPolarHBondContact OD1-CB 3.49Å; D330-R332 VanDerWaalsContact OD1-CG 3.23Å; D330-R332 WeakPolarHBondContact OD1-CG 3.42Å; D330-R332 PolarHBondContact OD1-N 3.14Å; D330-R332 IonicContact OD1-NE 3.28Å; D330-R332 PolarHBondContact OD1-NE 3.18Å; D330-R332 VanDerWaalsContact OD1-NE 3.16Å; D330-R332 IonicContact OD2-CZ 2.96Å; D330-R332 VanDerWaalsContact OD2-CZ 3.24Å; D330-R332 IonicContact OD2-NE 3.78Å; D330-R332 PolarHBondContact OD2-NE 3.33Å; D330-R332 IonicContact OD2-NH2 3.95Å; D330-R332 PolarHBondContact OD2-NH2 2.78Å; D330-C512 PolarHBondContact OD1-SG 3.19Å; D330-C512 WeakPolarHBondContact OD2-CB 3.03Å; D330-Q516 PolarHBondContact O-NE2 2.95Å
331	N	88.6	Confident	91.4	Very high	100 Å²	100	54.9 Å²	54.9	54%	0.535	28%	0.28	S	S	.	.			trans	-96.2	-7.1	-176.4	-72.3	-42.6	0	0	0	113.6	Q329 C333 M334	Q329-N331 PolarHBondContact O-N 3.41Å; N331-C333 PolarHBondContact O-N 3.07Å; N331-M334 WeakPolarHBondContact O-CB 3.46Å; N331-M334 PolarHBondContact O-N 3.39Å
332	R	90.4	Very high	91.2	Very high	65 Å²	65	64 Å²	64	25%	0.245	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-20	-173.6	-67	179.3	-62.9	162.2	0.1	114.9	P288 D330 D508 R509 C512	P288-R332 PolarHBondContact O-NH1 3.11Å; P288-R332 PolarHBondContact O-NH2 2.87Å; D330-R332 VanDerWaalsContact OD1-CB 3.32Å; D330-R332 WeakPolarHBondContact OD1-CB 3.49Å; D330-R332 VanDerWaalsContact OD1-CG 3.23Å; D330-R332 WeakPolarHBondContact OD1-CG 3.42Å; D330-R332 PolarHBondContact OD1-N 3.14Å; D330-R332 IonicContact OD1-NE 3.28Å; D330-R332 PolarHBondContact OD1-NE 3.18Å; D330-R332 VanDerWaalsContact OD1-NE 3.16Å; D330-R332 IonicContact OD2-CZ 2.96Å; D330-R332 VanDerWaalsContact OD2-CZ 3.24Å; D330-R332 IonicContact OD2-NE 3.78Å; D330-R332 PolarHBondContact OD2-NE 3.33Å; D330-R332 IonicContact OD2-NH2 3.95Å; D330-R332 PolarHBondContact OD2-NH2 2.78Å; R332-D508 IonicContact NH1-OD1 3.59Å; R332-D508 PolarHBondContact NH1-OD1 2.95Å; R332-R509 PolarHBondContact O-NH1 3.21Å; R332-R509 VanDerWaalsContact O-NH1 3.14Å; R332-C512 HydrophobicContact CB-CB 4.19Å
333	C	92.9	Very high	90.8	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114	2.7	-178.7	58	0	0	0	0	114.2	N331 L366 R509 C512 V513	N331-C333 PolarHBondContact O-N 3.07Å; C333-L366 HydrophobicContact CB-CB 4.27Å; C333-L366 WeakPolarHBondContact O-CD2 3.41Å; C333-R509 HydrophobicContact CB-CB 4.46Å; C333-R509 PolarHBondContact O-NH2 2.91Å; C333-C512 HydrophobicContact CB-CB 3.65Å; C333-C512 WeakPolarHBondContact CB-SG 3.42Å; C333-C512 PolarHBondContact N-SG 3.46Å; C333-C512 WeakPolarHBondContact SG-CB 3.45Å; C333-C512 CovalentContact SG-SG 2.05Å; C333-C512 PolarHBondContact SG-SG 3.04Å; C333-V513 HydrophobicContact CB-CG2 4.32Å
334	M	90.5	Very high	90.4	Very high	57 Å²	57	75.8 Å²	75.8	28%	0.281	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-33	-168.2	-66.8	-65.8	-85.1	0	0	113.7	N331 R336 L366 Q516	N331-M334 WeakPolarHBondContact O-CB 3.46Å; N331-M334 PolarHBondContact O-N 3.39Å; M334-R336 PolarHBondContact O-NE 3.48Å; M334-L366 HydrophobicContact SD-CD2 3.8Å; M334-Q516 HydrophobicContact SD-CG 4.3Å
335	D	92.3	Very high	90.3	Very high	99 Å²	99	81 Å²	81	53%	0.529	40%	0.395	S	S	.	.			trans	-63.1	129.7	171.6	41.4	-77.8	0	0	0	111.6	R509	D335-R509 PolarHBondContact O-NH2 3.18Å; D335-R509 IonicContact OD2-CZ 3.28Å; D335-R509 IonicContact OD2-NH1 3.58Å; D335-R509 PolarHBondContact OD2-NH1 3.23Å
336	R	94.4	Very high	90.6	Very high	68 Å²	68	80.7 Å²	80.7	26%	0.257	39%	0.394	S	S	.	.			trans	-145.5	143.8	-173.1	-72	165.6	-72.9	162.3	-7.8	110.1	M334 E365 G369 Y371	M334-R336 PolarHBondContact O-NE 3.48Å; R336-E365 HydrophobicContact CG-CB 4.28Å; R336-E365 IonicContact CZ-OE2 3.36Å; R336-E365 IonicContact NH1-OE2 4Å; R336-E365 PolarHBondContact NH1-OE2 3.45Å; R336-G369 CarbonylContact C-O 3.57Å; R336-G369 VanDerWaalsContact CA-O 3.3Å; R336-G369 WeakPolarHBondContact CA-O 3.38Å; R336-Y371 HydrophobicContact CB-CD1 4.06Å; R336-Y371 HydrophobicContact CB-CE1 3.59Å; R336-Y371 PolarHBondContact O-OH 3.44Å
337	R	95.7	Very high	90.9	Very high	169 Å²	169	81 Å²	81	64%	0.638	40%	0.396	S	S	*	.	B	Isolated β-bridge	trans	-141.4	170	-178.9	57	-176.7	174.9	-161.7	-1.6	112	G369 F370 Y371	R337-G369 PolarHBondContact N-O 2.72Å; R337-F370 HydrophobicContact CG-CD1 4.02Å; R337-F370 HydrophobicContact CG-CE1 3.97Å; R337-F370 CarbonylContact O-C 3.54Å; R337-F370 VanDerWaalsContact O-CA 3.26Å; R337-F370 WeakPolarHBondContact O-CA 3.3Å; R337-Y371 VanDerWaalsContact C-CD2 3.4Å; R337-Y371 WeakPolarHBondContact O-CD2 3.18Å; R337-Y371 PolarHBondContact O-N 2.89Å
338	F	96.6	Very high	91.5	Very high	51 Å²	51	76.7 Å²	76.7	22%	0.224	38%	0.375	C	S	.	.			trans	-75.4	159	163.6	-70.6	-82.6	0	0	0	110	S340 Y371 K387 D391 R397 T398	F338-S340 PolarHBondContact O-N 3.11Å; F338-Y371 HydrophobicContact CD1-CD2 4.28Å; F338-Y371 AromaticContact CD2-CD2 3.79Å; F338-Y371 HydrophobicContact CD2-CD2 3.79Å; F338-Y371 HydrophobicContact CD2-CE2 4.2Å; F338-Y371 HydrophobicContact CE1-CD2 4.27Å; F338-Y371 AromaticContact CE2-CD2 3.77Å; F338-Y371 HydrophobicContact CE2-CD2 3.77Å; F338-Y371 HydrophobicContact CE2-CE2 4.1Å; F338-Y371 HydrophobicContact CG-CD2 4.06Å; F338-Y371 HydrophobicContact CZ-CD2 4.03Å; F338-K387 HydrophobicContact CE2-CB 4.3Å; F338-K387 HydrophobicContact CZ-CB 4.12Å; F338-D391 HydrophobicContact CE1-CB 4.22Å; F338-R397 HydrophobicContact CB-CB 4.32Å; F338-R397 HydrophobicContact CD1-CB 3.85Å; F338-R397 HydrophobicContact CG-CB 4.44Å; F338-T398 HydrophobicContact CD1-CG2 4.13Å; F338-T398 HydrophobicContact CE1-CG2 3.99Å
339	L	94.4	Very high	91.9	Very high	29 Å²	29	75.2 Å²	75.2	15%	0.152	37%	0.367	C	S	.	.			trans	-57.1	136.8	167.6	-65.4	170.2	0	0	0	109.6	A341 T343 F370 R397 I399	L339-A341 WeakPolarHBondContact CB-O 3.45Å; L339-T343 HydrophobicContact CD1-CG2 4.02Å; L339-F370 HydrophobicContact CD2-CD1 3.73Å; L339-F370 HydrophobicContact CD2-CD2 4.1Å; L339-F370 HydrophobicContact CD2-CE1 3.86Å; L339-F370 HydrophobicContact CD2-CE2 4.21Å; L339-F370 HydrophobicContact CD2-CG 3.86Å; L339-F370 HydrophobicContact CD2-CZ 4.09Å; L339-F370 HydrophobicContact CG-CD1 4.31Å; L339-R397 WeakPolarHBondContact CB-O 3.41Å; L339-R397 PolarHBondContact N-O 3.05Å; L339-I399 HydrophobicContact CD2-CD1 4.32Å
340	S	89.4	Confident	92.5	Very high	131 Å²	131	69.6 Å²	69.6	92%	0.916	34%	0.34	S	S	*	.	S	Bend	trans	-69.3	-41.6	-179.7	47.8	0	0	0	0	111.9	F338	F338-S340 PolarHBondContact O-N 3.11Å
341	A	90.3	Very high	92.9	Very high	71 Å²	71	69.2 Å²	69.2	59%	0.587	34%	0.338	S	S	*	.	S	Bend	trans	-101.9	145.9	170	0	0	0	0	0	110.3	L339 T343	L339-A341 WeakPolarHBondContact CB-O 3.45Å; A341-T343 PolarHBondContact O-N 2.98Å
342	R	89.8	Confident	93.3	Very high	191 Å²	191	64.6 Å²	64.6	72%	0.721	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-75.1	116.5	173.7	-65.1	-177.9	-173.2	-167.5	5.1	109.3	S395 G396 R397	R342-S395 WeakPolarHBondContact CD-O 3.25Å; R342-S395 WeakPolarHBondContact CG-O 3.26Å; R342-G396 CarbonylContact C-O 3.52Å; R342-G396 VanDerWaalsContact CA-O 3.31Å; R342-G396 WeakPolarHBondContact CA-O 3.29Å; R342-R397 HydrophobicContact CG-CG 4.08Å
343	T	86.8	Confident	93.5	Very high	53 Å²	53	61.7 Å²	61.7	33%	0.325	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-68	143.5	171.4	-176.9	0	0	0	0	110.7	L339 A341 Q345 G396	L339-T343 HydrophobicContact CD1-CG2 4.02Å; A341-T343 PolarHBondContact O-N 2.98Å; T343-Q345 VanDerWaalsContact CG2-O 3.24Å; T343-Q345 WeakPolarHBondContact CG2-O 3.49Å; T343-Q345 PolarHBondContact OG1-N 3.29Å; T343-Q345 PolarHBondContact OG1-O 2.73Å; T343-G396 WeakPolarHBondContact CG2-O 3.16Å; T343-G396 PolarHBondContact N-O 3.33Å; T343-G396 VanDerWaalsContact O-CA 3.31Å; T343-G396 WeakPolarHBondContact O-CA 3.19Å
344	K	83.9	Confident	93.5	Very high	200 Å²	200	62.4 Å²	62.4	87%	0.87	31%	0.311	S	S	*	.	S	Bend	trans	-87.6	-21.6	166.8	-67.6	-176.4	179.7	178.7	0	112.3
345	Q	91.6	Very high	93.7	Very high	132 Å²	132	59.8 Å²	59.8	62%	0.617	30%	0.298	S	S	*	.	S	Bend	trans	-82.2	126.5	178.6	-63	-178.7	16.6	0	0	109.8	T343 D415	T343-Q345 VanDerWaalsContact CG2-O 3.24Å; T343-Q345 WeakPolarHBondContact CG2-O 3.49Å; T343-Q345 PolarHBondContact OG1-N 3.29Å; T343-Q345 PolarHBondContact OG1-O 2.73Å; Q345-D415 WeakPolarHBondContact CA-OD2 3.49Å
346	L	95.4	Very high	93.6	Very high	21 Å²	21	55.7 Å²	55.7	11%	0.11	28%	0.279	C	S	.	.			trans	-102.5	110	178.6	-62.4	-179.3	0	0	0	110.3	W393 R394 I401 F414 D415	L346-W393 HydrophobicContact CD1-CZ3 4.23Å; L346-R394 HydrophobicContact CD1-CG 4.23Å; L346-I401 HydrophobicContact CD2-CD1 4.2Å; L346-F414 HydrophobicContact CB-CD1 3.89Å; L346-D415 PolarHBondContact N-OD2 2.61Å; L346-D415 PolarHBondContact O-N 2.7Å
347	V	97.4	Very high	93.4	Very high	15 Å²	15	53 Å²	53	9%	0.091	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	120	175.1	-167.3	0	0	0	0	110.3	S400 I401 S416 F500 L501	V347-S400 CarbonylContact O-C 3.56Å; V347-S400 WeakPolarHBondContact O-CA 3.45Å; V347-I401 WeakPolarHBondContact O-CD1 3.41Å; V347-I401 PolarHBondContact O-N 3.47Å; V347-S416 WeakPolarHBondContact CA-O 3.09Å; V347-F500 HydrophobicContact CG1-CE1 4.27Å; V347-L501 HydrophobicContact CB-CD2 4.15Å; V347-L501 HydrophobicContact CG1-CD2 3.8Å; V347-L501 HydrophobicContact CG2-CD2 4.25Å
348	A	98	Very high	93.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	141.5	171.6	0	0	0	0	0	111.7	I401 T403 F414 S416 S417 I418 W471	A348-I401 CarbonylContact C-O 3.45Å; A348-I401 WeakPolarHBondContact CA-O 3.39Å; A348-T403 HydrophobicContact CB-CG2 4.14Å; A348-F414 HydrophobicContact CB-CB 4.23Å; A348-F414 HydrophobicContact CB-CD1 3.7Å; A348-F414 HydrophobicContact CB-CD2 4.13Å; A348-F414 HydrophobicContact CB-CE1 4.05Å; A348-F414 HydrophobicContact CB-CE2 4.43Å; A348-F414 HydrophobicContact CB-CG 3.74Å; A348-F414 HydrophobicContact CB-CZ 4.4Å; A348-S416 PolarHBondContact N-O 3.37Å; A348-S417 CarbonylContact O-C 3.56Å; A348-S417 VanDerWaalsContact O-CA 3.32Å; A348-S417 WeakPolarHBondContact O-CA 3.3Å; A348-I418 PolarHBondContact O-N 2.69Å; A348-W471 HydrophobicContact CB-CH2 3.47Å; A348-W471 VanDerWaalsContact CB-CH2 3.47Å; A348-W471 HydrophobicContact CB-CZ2 4.35Å; A348-W471 HydrophobicContact CB-CZ3 3.83Å
349	L	98.1	Very high	93	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	91.7	153.5	177.8	66	0	0	0	106.6	A360 R361 I364 I401 K402 T403 I418	L349-A360 HydrophobicContact CD1-CB 4.45Å; L349-A360 HydrophobicContact CD2-CB 4.16Å; L349-R361 HydrophobicContact CD2-CG 3.51Å; L349-I364 HydrophobicContact CD1-CD1 4.3Å; L349-I364 HydrophobicContact CD2-CD1 4.13Å; L349-I401 PolarHBondContact N-O 3.11Å; L349-K402 WeakPolarHBondContact O-CA 3.34Å; L349-T403 PolarHBondContact O-N 3.23Å; L349-I418 HydrophobicContact CD1-CB 4.04Å; L349-I418 HydrophobicContact CD1-CG2 3.93Å
350	A	97.9	Very high	93	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	130.7	-175.2	0	0	0	0	0	110.3	T403 I418 L419 M420 W471	A350-T403 HydrophobicContact CB-CG2 4.25Å; A350-I418 PolarHBondContact N-O 3.26Å; A350-L419 HydrophobicContact CB-CD1 4.16Å; A350-M420 PolarHBondContact O-N 3.48Å; A350-W471 HydrophobicContact CB-CD2 3.48Å; A350-W471 VanDerWaalsContact CB-CD2 3.48Å; A350-W471 HydrophobicContact CB-CE3 3.91Å; A350-W471 HydrophobicContact CB-CG 3.97Å; A350-W471 HydrophobicContact CB-CH2 4.07Å; A350-W471 HydrophobicContact CB-CZ2 3.68Å; A350-W471 HydrophobicContact CB-CZ3 4.18Å
351	S	97.3	Very high	93.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	156.2	168.8	109.7	0	0	0	0	112.5	N357 T403 H404 M420 H467	S351-N357 VanDerWaalsContact OG-CG 3.24Å; S351-N357 PolarHBondContact OG-ND2 2.85Å; S351-N357 PolarHBondContact OG-OD1 3.22Å; S351-T403 PolarHBondContact N-O 2.87Å; S351-H404 PolarHBondContact O-ND1 2.81Å; S351-M420 WeakPolarHBondContact CB-O 3.36Å; S351-H467 WeakPolarHBondContact CA-NE2 3.19Å; S351-H467 PolarHBondContact N-NE2 2.92Å; S351-H467 PolarHBondContact O-NE2 2.58Å
352	F	97	Very high	93.5	Very high	3 Å²	3	36 Å²	36	1%	0.013	17%	0.172	C	C	.	.			trans	-61.5	145.2	163.4	179.5	-100.9	0	0	0	111.2	A355 N357 A427 L428 Y460 W463 W464 H467	F352-A355 WeakPolarHBondContact O-CB 3.49Å; F352-A355 PolarHBondContact O-N 3.46Å; F352-N357 PolarHBondContact O-ND2 3.39Å; F352-A427 HydrophobicContact CD1-CB 4.09Å; F352-A427 HydrophobicContact CE1-CB 4.25Å; F352-L428 HydrophobicContact CE1-CD2 4.26Å; F352-L428 HydrophobicContact CZ-CD2 3.99Å; F352-Y460 HydrophobicContact CE2-CD1 4.4Å; F352-Y460 WeakPolarHBondContact CE2-O 3.37Å; F352-Y460 AromaticContact CZ-CD1 3.97Å; F352-Y460 HydrophobicContact CZ-CD1 3.97Å; F352-W463 HydrophobicContact CD2-CD2 4.07Å; F352-W463 HydrophobicContact CD2-CE3 4.15Å; F352-W463 HydrophobicContact CD2-CG 4.34Å; F352-W463 HydrophobicContact CE2-CB 4.17Å; F352-W463 AromaticContact CE2-CD2 3.78Å; F352-W463 HydrophobicContact CE2-CD2 3.78Å; F352-W463 AromaticContact CE2-CE3 3.52Å; F352-W463 HydrophobicContact CE2-CE3 3.52Å; F352-W463 HydrophobicContact CE2-CG 4.08Å; F352-W463 HydrophobicContact CE2-CZ3 4.18Å; F352-W463 HydrophobicContact CZ-CE3 4.41Å; F352-W464 HydrophobicContact CD1-CB 4.12Å; F352-W464 AromaticContact CD1-CD1 3.73Å; F352-W464 HydrophobicContact CD1-CG 4.35Å; F352-W464 VanDerWaalsContact CD2-CA 3.41Å; F352-W464 HydrophobicContact CD2-CB 3.82Å; F352-W464 HydrophobicContact CE1-CB 4.2Å; F352-W464 HydrophobicContact CE2-CB 3.88Å; F352-W464 HydrophobicContact CG-CB 3.94Å; F352-W464 AromaticContact CG-CD1 3.89Å; F352-W464 HydrophobicContact CG-CG 4.31Å; F352-W464 HydrophobicContact CZ-CB 4.07Å; F352-H467 PolarHBondContact N-CD2 3.01Å; F352-H467 PolarHBondContact N-NE2 2.83Å
353	P	94.6	Very high	93.8	Very high	4 Å²	4	26.9 Å²	26.9	3%	0.026	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	148.3	175	-25.8	34.7	0	0	0	113.3	A355 H404 E431 W463	P353-A355 PolarHBondContact O-N 3.06Å; P353-A355 VanDerWaalsContact O-N 3.12Å; P353-H404 HydrophobicContact CG-CB 4.48Å; P353-E431 HydrophobicContact CB-CB 4.41Å; P353-E431 HydrophobicContact CB-CG 3.78Å; P353-E431 VanDerWaalsContact CB-OE2 3.28Å; P353-E431 WeakPolarHBondContact CB-OE2 3.4Å; P353-W463 HydrophobicContact CG-CH2 3.45Å; P353-W463 VanDerWaalsContact CG-CH2 3.45Å; P353-W463 HydrophobicContact CG-CZ2 4.29Å; P353-W463 HydrophobicContact CG-CZ3 3.74Å
354	G	92.1	Very high	94.3	Very high	16 Å²	16	24.4 Å²	24.4	17%	0.165	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	-8.9	-174.1	0	0	0	0	0	116.1	G356 R422 E431	G354-G356 PolarHBondContact O-N 3.4Å; G354-R422 PolarHBondContact O-NH1 3.3Å; G354-E431 PolarHBondContact N-OE2 3.16Å
355	A	94.5	Very high	94.9	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.008	8%	0.081	C	C	.	.	S	Bend	trans	-78	12.3	178.9	0	0	0	0	0	115.7	F352 P353 M420 R422 F483	F352-A355 WeakPolarHBondContact O-CB 3.49Å; F352-A355 PolarHBondContact O-N 3.46Å; P353-A355 PolarHBondContact O-N 3.06Å; P353-A355 VanDerWaalsContact O-N 3.12Å; A355-M420 WeakPolarHBondContact O-CG 3.29Å; A355-R422 HydrophobicContact CB-CB 3.58Å; A355-F483 WeakPolarHBondContact O-CD2 3.43Å
356	G	90.1	Very high	95	Very high	14 Å²	14	8.6 Å²	8.6	14%	0.144	5%	0.052	C	C	.	.	S	Bend	trans	103.9	1.6	173	0	0	0	0	0	117.1	G354 T358 W359 A360	G354-G356 PolarHBondContact O-N 3.4Å; G356-T358 PolarHBondContact O-N 3.07Å; G356-T358 VanDerWaalsContact O-N 3.09Å; G356-W359 WeakPolarHBondContact O-CA 3.08Å; G356-W359 VanDerWaalsContact O-CB 3.3Å; G356-W359 WeakPolarHBondContact O-CB 3.28Å; G356-W359 PolarHBondContact O-N 3Å; G356-A360 PolarHBondContact O-N 2.96Å
357	N	90.1	Very high	95.1	Very high	12 Å²	12	8 Å²	8	6%	0.064	5%	0.049	C	C	.	.	H	α-helix	trans	-24.9	-64.1	176.8	-66.6	-100	0	0	0	117	S351 F352 W359 A360 R361 K402 H404	S351-N357 VanDerWaalsContact OG-CG 3.24Å; S351-N357 PolarHBondContact OG-ND2 2.85Å; S351-N357 PolarHBondContact OG-OD1 3.22Å; F352-N357 PolarHBondContact O-ND2 3.39Å; N357-W359 VanDerWaalsContact C-N 3.27Å; N357-W359 PolarHBondContact O-N 2.83Å; N357-A360 PolarHBondContact O-N 2.78Å; N357-R361 WeakPolarHBondContact O-CG 3.37Å; N357-R361 PolarHBondContact O-N 3.46Å; N357-K402 HydrophobicContact CB-CG 4.34Å; N357-K402 VanDerWaalsContact OD1-CE 3.24Å; N357-K402 WeakPolarHBondContact OD1-CE 3.5Å; N357-H404 PolarHBondContact ND2-CE1 3.05Å; N357-H404 PolarHBondContact OD1-CE1 3.38Å; N357-H404 VanDerWaalsContact OD1-CE1 3.26Å
358	T	90.9	Very high	95	Very high	34 Å²	34	8.1 Å²	8.1	21%	0.209	5%	0.05	C	C	.	.	H	α-helix	trans	-65	-33	-174.6	-50.3	0	0	0	0	112	G356 H362 L381 F386 F521	G356-T358 PolarHBondContact O-N 3.07Å; G356-T358 VanDerWaalsContact O-N 3.09Å; T358-H362 WeakPolarHBondContact O-CB 3.37Å; T358-H362 PolarHBondContact O-N 3.29Å; T358-L381 HydrophobicContact CG2-CD2 3.64Å; T358-F386 HydrophobicContact CG2-CE2 3.57Å; T358-F386 HydrophobicContact CG2-CZ 3.86Å; T358-F386 WeakPolarHBondContact O-CZ 3.31Å; T358-F521 HydrophobicContact CG2-CB 4.03Å; T358-F521 HydrophobicContact CG2-CD1 3.44Å; T358-F521 VanDerWaalsContact CG2-CD1 3.44Å; T358-F521 HydrophobicContact CG2-CD2 4.41Å; T358-F521 HydrophobicContact CG2-CE1 3.98Å; T358-F521 HydrophobicContact CG2-CG 3.69Å
359	W	93.1	Very high	94.9	Very high	36 Å²	36	8.5 Å²	8.5	14%	0.136	5%	0.054	C	C	.	.	H	α-helix	trans	-71.3	-49.1	174.3	-176.8	61.1	0	0	0	110.9	G356 N357 R361 H362 L363 F483 L486 K487 K517	G356-W359 WeakPolarHBondContact O-CA 3.08Å; G356-W359 VanDerWaalsContact O-CB 3.3Å; G356-W359 WeakPolarHBondContact O-CB 3.28Å; G356-W359 PolarHBondContact O-N 3Å; N357-W359 VanDerWaalsContact C-N 3.27Å; N357-W359 PolarHBondContact O-N 2.83Å; W359-R361 VanDerWaalsContact C-N 3.27Å; W359-R361 PolarHBondContact O-N 3.28Å; W359-H362 WeakPolarHBondContact O-CB 3.49Å; W359-H362 PolarHBondContact O-N 2.94Å; W359-H362 VanDerWaalsContact O-N 3.07Å; W359-L363 HydrophobicContact CD2-CD1 3.8Å; W359-L363 HydrophobicContact CD2-CG 4.44Å; W359-L363 HydrophobicContact CE3-CD1 4.01Å; W359-L363 HydrophobicContact CG-CD1 4.42Å; W359-L363 HydrophobicContact CH2-CD1 3.96Å; W359-L363 HydrophobicContact CZ2-CD1 3.73Å; W359-L363 HydrophobicContact CZ3-CD1 4.1Å; W359-L363 WeakPolarHBondContact O-CG 3.48Å; W359-L363 PolarHBondContact O-N 3.28Å; W359-F483 HydrophobicContact CD2-CE2 4.31Å; W359-F483 AromaticContact CE3-CD2 3.91Å; W359-F483 HydrophobicContact CE3-CD2 3.91Å; W359-F483 AromaticContact CE3-CE2 3.37Å; W359-F483 HydrophobicContact CE3-CE2 3.37Å; W359-F483 HydrophobicContact CE3-CZ 4.05Å; W359-F483 AromaticContact CZ3-CD2 3.99Å; W359-F483 HydrophobicContact CZ3-CD2 3.99Å; W359-F483 AromaticContact CZ3-CE2 3.68Å; W359-F483 HydrophobicContact CZ3-CE2 3.68Å; W359-F483 HydrophobicContact CZ3-CZ 4.13Å; W359-L486 HydrophobicContact CE3-CD2 4.4Å; W359-L486 HydrophobicContact CH2-CD2 4.4Å; W359-L486 HydrophobicContact CH2-CG 4.04Å; W359-L486 HydrophobicContact CZ3-CB 4.42Å; W359-L486 HydrophobicContact CZ3-CD2 3.85Å; W359-L486 HydrophobicContact CZ3-CG 3.92Å; W359-K487 HydrophobicContact CH2-CB 4.19Å; W359-K517 PolarHBondContact NE1-O 3.06Å
360	A	95.1	Very high	94.8	Very high	1 Å²	1	9.9 Å²	9.9	1%	0.008	6%	0.06	C	C	.	.	H	α-helix	trans	-56.7	-39.9	175.6	0	0	0	0	0	112.4	L349 G356 N357 I364 M420	L349-A360 HydrophobicContact CD1-CB 4.45Å; L349-A360 HydrophobicContact CD2-CB 4.16Å; G356-A360 PolarHBondContact O-N 2.96Å; N357-A360 PolarHBondContact O-N 2.78Å; A360-I364 WeakPolarHBondContact O-CD1 3.02Å; A360-I364 VanDerWaalsContact O-CG1 3.24Å; A360-I364 WeakPolarHBondContact O-CG1 3.34Å; A360-I364 PolarHBondContact O-N 3.38Å; A360-M420 HydrophobicContact CB-CE 4.09Å
361	R	95.8	Very high	94.8	Very high	2 Å²	2	11.6 Å²	11.6	1%	0.008	7%	0.067	C	C	.	.	H	α-helix	trans	-63.6	-49	172.2	-70.5	174.6	72.3	-176.7	4.3	112.5	L349 N357 W359 L363 I364 E365 T372 F386 E389 K402	L349-R361 HydrophobicContact CD2-CG 3.51Å; N357-R361 WeakPolarHBondContact O-CG 3.37Å; N357-R361 PolarHBondContact O-N 3.46Å; W359-R361 VanDerWaalsContact C-N 3.27Å; W359-R361 PolarHBondContact O-N 3.28Å; R361-L363 VanDerWaalsContact C-N 3.28Å; R361-L363 PolarHBondContact O-N 2.97Å; R361-I364 PolarHBondContact O-N 3.11Å; R361-E365 WeakPolarHBondContact O-CG 3.38Å; R361-E365 PolarHBondContact O-N 3.11Å; R361-T372 HydrophobicContact CB-CG2 4.37Å; R361-T372 HydrophobicContact CG-CG2 4.4Å; R361-T372 PolarHBondContact NE-OG1 2.77Å; R361-T372 PolarHBondContact NH2-O 2.98Å; R361-F386 HydrophobicContact CB-CD1 4.35Å; R361-F386 HydrophobicContact CB-CE1 3.57Å; R361-F386 HydrophobicContact CB-CZ 4.16Å; R361-E389 IonicContact CZ-OE1 3.68Å; R361-E389 IonicContact NH1-OE1 3.98Å; R361-E389 PolarHBondContact NH1-OE1 2.97Å; R361-E389 IonicContact NH2-OE1 2.88Å; R361-E389 PolarHBondContact NH2-OE1 3.03Å; R361-K402 HydrophobicContact CG-CB 4.34Å
362	H	94.9	Very high	94.8	Very high	19 Å²	19	11.6 Å²	11.6	9%	0.088	7%	0.067	C	C	.	.	H	α-helix	trans	-53.2	-47.5	176.6	177.1	74.1	0	0	0	111.1	T358 W359 E365 L366 F386 Q516 F521	T358-H362 WeakPolarHBondContact O-CB 3.37Å; T358-H362 PolarHBondContact O-N 3.29Å; W359-H362 WeakPolarHBondContact O-CB 3.49Å; W359-H362 PolarHBondContact O-N 2.94Å; W359-H362 VanDerWaalsContact O-N 3.07Å; H362-E365 PolarHBondContact O-N 2.78Å; H362-L366 VanDerWaalsContact NE2-CD1 3.34Å; H362-L366 WeakPolarHBondContact NE2-CD1 3.21Å; H362-L366 WeakPolarHBondContact O-CG 3.35Å; H362-L366 PolarHBondContact O-N 2.71Å; H362-F386 HydrophobicContact CB-CZ 4.14Å; H362-Q516 PolarHBondContact NE2-O 3.35Å; H362-F521 HydrophobicContact CB-CD2 4.27Å; H362-F521 HydrophobicContact CB-CE2 4.32Å; H362-F521 AromaticContact ND1-CE2 3.71Å
363	L	95.8	Very high	94.8	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-61.3	-47.4	176.2	-64	174.6	0	0	0	112.8	W359 R361 E365 L366 A367 L486 L490 L494 V513 K517	W359-L363 HydrophobicContact CD2-CD1 3.8Å; W359-L363 HydrophobicContact CD2-CG 4.44Å; W359-L363 HydrophobicContact CE3-CD1 4.01Å; W359-L363 HydrophobicContact CG-CD1 4.42Å; W359-L363 HydrophobicContact CH2-CD1 3.96Å; W359-L363 HydrophobicContact CZ2-CD1 3.73Å; W359-L363 HydrophobicContact CZ3-CD1 4.1Å; W359-L363 WeakPolarHBondContact O-CG 3.48Å; W359-L363 PolarHBondContact O-N 3.28Å; R361-L363 VanDerWaalsContact C-N 3.28Å; R361-L363 PolarHBondContact O-N 2.97Å; L363-E365 PolarHBondContact O-N 3.15Å; L363-L366 PolarHBondContact O-N 3.02Å; L363-A367 VanDerWaalsContact O-CB 3.28Å; L363-A367 WeakPolarHBondContact O-CB 3.41Å; L363-A367 PolarHBondContact O-N 2.89Å; L363-L486 HydrophobicContact CD1-CD1 4.48Å; L363-L486 HydrophobicContact CD1-CD2 3.98Å; L363-L486 HydrophobicContact CD1-CG 4.28Å; L363-L490 HydrophobicContact CD1-CD1 3.6Å; L363-L490 HydrophobicContact CD2-CD1 3.95Å; L363-L490 HydrophobicContact CD2-CD2 4.1Å; L363-L490 HydrophobicContact CG-CD1 4.34Å; L363-L494 HydrophobicContact CB-CD1 3.96Å; L363-L494 HydrophobicContact CB-CD2 4.03Å; L363-V513 HydrophobicContact CD2-CG1 3.45Å; L363-V513 VanDerWaalsContact CD2-CG1 3.45Å; L363-K517 HydrophobicContact CD2-CB 4.04Å
364	I	96.7	Very high	94.8	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.005	7%	0.068	C	C	.	.	H	α-helix	trans	-60.9	-44.9	176.9	-69.3	163.6	0	0	0	110.8	L349 A360 R361 A367 T368 T372 I399 I418 M497 L501	L349-I364 HydrophobicContact CD1-CD1 4.3Å; L349-I364 HydrophobicContact CD2-CD1 4.13Å; A360-I364 WeakPolarHBondContact O-CD1 3.02Å; A360-I364 VanDerWaalsContact O-CG1 3.24Å; A360-I364 WeakPolarHBondContact O-CG1 3.34Å; A360-I364 PolarHBondContact O-N 3.38Å; R361-I364 PolarHBondContact O-N 3.11Å; I364-A367 PolarHBondContact O-N 2.87Å; I364-T368 HydrophobicContact CG2-CG2 4.13Å; I364-T368 VanDerWaalsContact O-CB 3.32Å; I364-T368 WeakPolarHBondContact O-CB 3.44Å; I364-T368 VanDerWaalsContact O-CG2 3.31Å; I364-T368 WeakPolarHBondContact O-CG2 3.35Å; I364-T368 PolarHBondContact O-N 3.21Å; I364-T368 PolarHBondContact O-OG1 3.42Å; I364-T372 HydrophobicContact CB-CG2 4.2Å; I364-T372 HydrophobicContact CG2-CG2 3.83Å; I364-I399 HydrophobicContact CG2-CG2 3.9Å; I364-I418 HydrophobicContact CD1-CD1 4.48Å; I364-M497 HydrophobicContact CD1-CE 3.63Å; I364-M497 HydrophobicContact CG1-CE 3.66Å; I364-L501 HydrophobicContact CG2-CD1 3.88Å
365	E	96.3	Very high	94.8	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-64.4	-42.5	-179.7	-67.2	-163.8	173.1	0	0	112	R336 R361 H362 L363 G369 F370 T372 F386	R336-E365 HydrophobicContact CG-CB 4.28Å; R336-E365 IonicContact CZ-OE2 3.36Å; R336-E365 IonicContact NH1-OE2 4Å; R336-E365 PolarHBondContact NH1-OE2 3.45Å; R361-E365 WeakPolarHBondContact O-CG 3.38Å; R361-E365 PolarHBondContact O-N 3.11Å; H362-E365 PolarHBondContact O-N 2.78Å; L363-E365 PolarHBondContact O-N 3.15Å; E365-G369 WeakPolarHBondContact O-CA 3.23Å; E365-G369 PolarHBondContact O-N 2.97Å; E365-F370 WeakPolarHBondContact CA-O 3.44Å; E365-F370 WeakPolarHBondContact CG-O 3.43Å; E365-T372 HydrophobicContact CG-CG2 3.76Å; E365-T372 PolarHBondContact OE1-N 3.36Å; E365-T372 PolarHBondContact OE1-OG1 2.87Å; E365-F386 WeakPolarHBondContact OE1-CD1 3.36Å
366	L	95.1	Very high	94.6	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	9%	0.088	C	C	.	.	H	α-helix	trans	-65.5	-46	176.1	-68.8	-177.5	0	0	0	111.5	C333 M334 H362 L363 R509 V513 Q516	C333-L366 HydrophobicContact CB-CB 4.27Å; C333-L366 WeakPolarHBondContact O-CD2 3.41Å; M334-L366 HydrophobicContact SD-CD2 3.8Å; H362-L366 VanDerWaalsContact NE2-CD1 3.34Å; H362-L366 WeakPolarHBondContact NE2-CD1 3.21Å; H362-L366 WeakPolarHBondContact O-CG 3.35Å; H362-L366 PolarHBondContact O-N 2.71Å; L363-L366 PolarHBondContact O-N 3.02Å; L366-R509 VanDerWaalsContact O-CZ 3.31Å; L366-R509 PolarHBondContact O-NE 2.81Å; L366-R509 PolarHBondContact O-NH2 2.8Å; L366-V513 HydrophobicContact CB-CB 4.35Å; L366-V513 HydrophobicContact CB-CG1 4.15Å; L366-V513 HydrophobicContact CB-CG2 3.51Å; L366-V513 HydrophobicContact CD1-CG1 4.14Å; L366-Q516 HydrophobicContact CD1-CB 3.77Å
367	A	96.3	Very high	94.6	Very high	7 Å²	7	23.9 Å²	23.9	6%	0.058	11%	0.109	C	C	.	.	H	α-helix	trans	-67.4	-40.5	-177.8	0	0	0	0	0	113	L363 I364 L494 V498 L510 V513	L363-A367 VanDerWaalsContact O-CB 3.28Å; L363-A367 WeakPolarHBondContact O-CB 3.41Å; L363-A367 PolarHBondContact O-N 2.89Å; I364-A367 PolarHBondContact O-N 2.87Å; A367-L494 HydrophobicContact CB-CD1 4.21Å; A367-L494 HydrophobicContact CB-CD2 3.86Å; A367-L494 HydrophobicContact CB-CG 3.92Å; A367-V498 HydrophobicContact CB-CG2 3.8Å; A367-L510 HydrophobicContact CB-CD2 3.83Å; A367-V513 HydrophobicContact CB-CG2 4.12Å
368	T	96.3	Very high	94.4	Very high	18 Å²	18	25.1 Å²	25.1	11%	0.11	12%	0.116	C	C	.	.	H	α-helix	trans	-92.7	-23	-174.6	64.4	0	0	0	0	114.3	I364 F370 V498 L501 L503	I364-T368 HydrophobicContact CG2-CG2 4.13Å; I364-T368 VanDerWaalsContact O-CB 3.32Å; I364-T368 WeakPolarHBondContact O-CB 3.44Å; I364-T368 VanDerWaalsContact O-CG2 3.31Å; I364-T368 WeakPolarHBondContact O-CG2 3.35Å; I364-T368 PolarHBondContact O-N 3.21Å; I364-T368 PolarHBondContact O-OG1 3.42Å; T368-F370 VanDerWaalsContact O-CD2 3.31Å; T368-F370 WeakPolarHBondContact O-CD2 3.39Å; T368-F370 PolarHBondContact O-N 3.32Å; T368-F370 PolarHBondContact OG1-N 3.07Å; T368-F370 VanDerWaalsContact OG1-N 3.14Å; T368-V498 HydrophobicContact CG2-CG1 4.48Å; T368-V498 HydrophobicContact CG2-CG2 3.95Å; T368-L501 HydrophobicContact CG2-CD1 4.31Å; T368-L503 HydrophobicContact CG2-CD1 3.62Å
369	G	95.6	Very high	94.3	Very high	8 Å²	8	24.8 Å²	24.8	8%	0.082	12%	0.119	C	C	.	.	S	Bend	trans	69.7	12.9	-168.2	0	0	0	0	0	114	R336 R337 E365	R336-G369 CarbonylContact C-O 3.57Å; R336-G369 VanDerWaalsContact CA-O 3.3Å; R336-G369 WeakPolarHBondContact CA-O 3.38Å; R337-G369 PolarHBondContact N-O 2.72Å; E365-G369 WeakPolarHBondContact O-CA 3.23Å; E365-G369 PolarHBondContact O-N 2.97Å
370	F	96.6	Very high	93.9	Very high	30 Å²	30	25.6 Å²	25.6	13%	0.132	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	-118.1	137.7	179.6	-67	-66.2	0	0	0	112.6	R337 L339 E365 T368 I399 L503	R337-F370 HydrophobicContact CG-CD1 4.02Å; R337-F370 HydrophobicContact CG-CE1 3.97Å; R337-F370 CarbonylContact O-C 3.54Å; R337-F370 VanDerWaalsContact O-CA 3.26Å; R337-F370 WeakPolarHBondContact O-CA 3.3Å; L339-F370 HydrophobicContact CD2-CD1 3.73Å; L339-F370 HydrophobicContact CD2-CD2 4.1Å; L339-F370 HydrophobicContact CD2-CE1 3.86Å; L339-F370 HydrophobicContact CD2-CE2 4.21Å; L339-F370 HydrophobicContact CD2-CG 3.86Å; L339-F370 HydrophobicContact CD2-CZ 4.09Å; L339-F370 HydrophobicContact CG-CD1 4.31Å; E365-F370 WeakPolarHBondContact CA-O 3.44Å; E365-F370 WeakPolarHBondContact CG-O 3.43Å; T368-F370 VanDerWaalsContact O-CD2 3.31Å; T368-F370 WeakPolarHBondContact O-CD2 3.39Å; T368-F370 PolarHBondContact O-N 3.32Å; T368-F370 PolarHBondContact OG1-N 3.07Å; T368-F370 VanDerWaalsContact OG1-N 3.14Å; F370-I399 HydrophobicContact CB-CB 3.85Å; F370-I399 HydrophobicContact CB-CG2 3.95Å; F370-L503 HydrophobicContact CD2-CD1 3.89Å; F370-L503 HydrophobicContact CE2-CD1 4.22Å; F370-L503 HydrophobicContact CE2-CD2 4.23Å
371	Y	97.1	Very high	93.5	Very high	36 Å²	36	26.2 Å²	26.2	14%	0.141	13%	0.134	C	C	.	.			trans	-65.5	143.7	177.7	-70	-54.9	0	0	0	112.7	R336 R337 F338 K387 T398 I399	R336-Y371 HydrophobicContact CB-CD1 4.06Å; R336-Y371 HydrophobicContact CB-CE1 3.59Å; R336-Y371 PolarHBondContact O-OH 3.44Å; R337-Y371 VanDerWaalsContact C-CD2 3.4Å; R337-Y371 WeakPolarHBondContact O-CD2 3.18Å; R337-Y371 PolarHBondContact O-N 2.89Å; F338-Y371 HydrophobicContact CD1-CD2 4.28Å; F338-Y371 AromaticContact CD2-CD2 3.79Å; F338-Y371 HydrophobicContact CD2-CD2 3.79Å; F338-Y371 HydrophobicContact CD2-CE2 4.2Å; F338-Y371 HydrophobicContact CE1-CD2 4.27Å; F338-Y371 AromaticContact CE2-CD2 3.77Å; F338-Y371 HydrophobicContact CE2-CD2 3.77Å; F338-Y371 HydrophobicContact CE2-CE2 4.1Å; F338-Y371 HydrophobicContact CG-CD2 4.06Å; F338-Y371 HydrophobicContact CZ-CD2 4.03Å; Y371-K387 HydrophobicContact CD1-CB 4.21Å; Y371-K387 HydrophobicContact CD2-CB 4.05Å; Y371-K387 HydrophobicContact CE1-CB 4.02Å; Y371-K387 HydrophobicContact CE1-CG 3.93Å; Y371-K387 HydrophobicContact CE2-CB 3.84Å; Y371-K387 HydrophobicContact CE2-CG 4.07Å; Y371-K387 HydrophobicContact CG-CB 4.25Å; Y371-T398 CarbonylContact O-C 3.6Å; Y371-T398 VanDerWaalsContact O-CA 3.23Å; Y371-T398 WeakPolarHBondContact O-CA 3.31Å; Y371-T398 VanDerWaalsContact O-CB 3.23Å; Y371-T398 WeakPolarHBondContact O-CB 3.32Å; Y371-I399 PolarHBondContact O-N 2.97Å
372	T	97.1	Very high	93.2	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.144	C	C	.	.			trans	-97	133.9	172.8	58.1	0	0	0	0	110.9	R361 I364 E365 G388 I399	R361-T372 HydrophobicContact CB-CG2 4.37Å; R361-T372 HydrophobicContact CG-CG2 4.4Å; R361-T372 PolarHBondContact NE-OG1 2.77Å; R361-T372 PolarHBondContact NH2-O 2.98Å; I364-T372 HydrophobicContact CB-CG2 4.2Å; I364-T372 HydrophobicContact CG2-CG2 3.83Å; E365-T372 HydrophobicContact CG-CG2 3.76Å; E365-T372 PolarHBondContact OE1-N 3.36Å; E365-T372 PolarHBondContact OE1-OG1 2.87Å; T372-G388 WeakPolarHBondContact O-CA 3.3Å; T372-I399 HydrophobicContact CG2-CG2 4.14Å
373	G	96.2	Very high	92.9	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	176.8	174.2	0	0	0	0	0	111.8	T398 S400 K402	G373-T398 VanDerWaalsContact N-CB 3.33Å; G373-S400 PolarHBondContact N-O 3.22Å; G373-K402 PolarHBondContact O-N 3.33Å
374	S	95.4	Very high	92.4	Very high	7 Å²	7	38 Å²	38	5%	0.049	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	145.3	171.2	172	0	0	0	0	109.2	Y376 E389 K402	S374-Y376 WeakPolarHBondContact CB-O 3.28Å; S374-Y376 PolarHBondContact O-N 3.07Å; S374-Y376 PolarHBondContact OG-N 3.34Å; S374-Y376 VanDerWaalsContact OG-N 3.15Å; S374-Y376 PolarHBondContact OG-O 2.89Å; S374-E389 VanDerWaalsContact CB-OE1 3.29Å; S374-E389 WeakPolarHBondContact CB-OE1 3.34Å; S374-K402 WeakPolarHBondContact CA-O 3.14Å
375	Y	92.7	Very high	92	Very high	77 Å²	77	38.6 Å²	38.6	30%	0.302	20%	0.196	S	C	.	.	S	Bend	trans	-64.7	-20.1	171.3	-167.7	-91.4	0	0	0	112.1	W393 K402 E405	Y375-W393 AromaticContact CD2-CD2 3.75Å; Y375-W393 HydrophobicContact CD2-CD2 3.75Å; Y375-W393 AromaticContact CD2-CE2 3.66Å; Y375-W393 HydrophobicContact CD2-CE3 4.13Å; Y375-W393 HydrophobicContact CD2-CG 4.12Å; Y375-W393 HydrophobicContact CD2-CH2 4.22Å; Y375-W393 AromaticContact CD2-CZ2 3.94Å; Y375-W393 HydrophobicContact CD2-CZ2 3.94Å; Y375-W393 HydrophobicContact CD2-CZ3 4.34Å; Y375-W393 AromaticContact CD2-NE1 3.99Å; Y375-W393 HydrophobicContact CE2-CD2 4.07Å; Y375-W393 AromaticContact CE2-CE2 3.49Å; Y375-W393 VanDerWaalsContact CE2-CE2 3.49Å; Y375-W393 HydrophobicContact CE2-CE3 4.48Å; Y375-W393 AromaticContact CE2-CH2 3.79Å; Y375-W393 HydrophobicContact CE2-CH2 3.79Å; Y375-W393 AromaticContact CE2-CZ2 3.36Å; Y375-W393 HydrophobicContact CE2-CZ2 3.36Å; Y375-W393 HydrophobicContact CE2-CZ3 4.35Å; Y375-W393 AromaticContact CE2-NE1 3.88Å; Y375-K402 PolarHBondContact N-O 3.15Å; Y375-E405 HydrophobicContact CD1-CG 3.95Å; Y375-E405 HydrophobicContact CE1-CG 3.73Å; Y375-E405 HydrophobicContact CG-CG 4.45Å
376	Y	90.1	Very high	91.9	Very high	76 Å²	76	38.7 Å²	38.7	30%	0.298	20%	0.196	S	C	.	.	S	Bend	trans	-117	157.5	179.1	-37.4	-83.5	0	0	0	110.3	S374 K402 H404 E405	S374-Y376 WeakPolarHBondContact CB-O 3.28Å; S374-Y376 PolarHBondContact O-N 3.07Å; S374-Y376 PolarHBondContact OG-N 3.34Å; S374-Y376 VanDerWaalsContact OG-N 3.15Å; S374-Y376 PolarHBondContact OG-O 2.89Å; Y376-K402 HydrophobicContact CD2-CD 4.5Å; Y376-K402 VanDerWaalsContact CD2-NZ 3.33Å; Y376-K402 VanDerWaalsContact CE2-NZ 3.34Å; Y376-H404 HydrophobicContact CE2-CB 4.31Å; Y376-H404 WeakPolarHBondContact OH-CA 3.31Å; Y376-H404 WeakPolarHBondContact OH-CB 3.42Å; Y376-H404 PolarHBondContact OH-N 2.75Å; Y376-E405 WeakPolarHBondContact CE1-OE1 3.18Å; Y376-E405 VanDerWaalsContact CZ-OE1 3.25Å; Y376-E405 PolarHBondContact OH-N 3.39Å; Y376-E405 PolarHBondContact OH-OE1 2.95Å
377	F	90.5	Very high	91.8	Very high	135 Å²	135	41.9 Å²	41.9	59%	0.592	21%	0.21	S	C	*	.			trans	-102.5	124.2	172	170.6	-118	0	0	0	112	E389 R390	F377-E389 HydrophobicContact CD2-CB 4.19Å; F377-E389 WeakPolarHBondContact CD2-O 3.39Å; F377-E389 HydrophobicContact CE2-CB 4.48Å; F377-R390 HydrophobicContact CD2-CG 4.23Å; F377-R390 HydrophobicContact CE2-CG 3.62Å; F377-R390 HydrophobicContact CZ-CG 4.4Å
378	D	86	Confident	91.8	Very high	39 Å²	39	41.6 Å²	41.6	21%	0.209	21%	0.207	C	C	.	.			trans	-124.5	105.3	171.3	-174.5	-23.7	0	0	0	110.8	S380 L381 Y382 E389 H439	D378-S380 PolarHBondContact O-N 2.84Å; D378-S380 WeakPolarHBondContact OD1-CA 3.4Å; D378-S380 WeakPolarHBondContact OD1-CB 3.25Å; D378-S380 PolarHBondContact OD1-N 3.34Å; D378-L381 HydrophobicContact CB-CB 4.16Å; D378-L381 HydrophobicContact CB-CD1 4.07Å; D378-L381 HydrophobicContact CB-CG 4.08Å; D378-L381 PolarHBondContact O-N 2.94Å; D378-L381 PolarHBondContact OD1-N 3.12Å; D378-Y382 PolarHBondContact O-N 3.35Å; D378-E389 WeakPolarHBondContact CB-OE2 3.42Å; D378-E389 PolarHBondContact N-OE2 3.27Å; D378-H439 IonicContact OD2-CE1 3.05Å; D378-H439 PolarHBondContact OD2-CE1 3.14Å; D378-H439 IonicContact OD2-ND1 3.03Å; D378-H439 IonicContact OD2-NE2 2.7Å; D378-H439 PolarHBondContact OD2-NE2 3.29Å
379	G	87.6	Confident	91.7	Very high	26 Å²	26	41 Å²	41	27%	0.268	20%	0.203	S	C	.	.	H	α-helix	trans	-62.3	-25.2	178.4	0	0	0	0	0	114.4	N383	G379-N383 WeakPolarHBondContact O-CB 3.3Å; G379-N383 PolarHBondContact O-N 3.15Å; G379-N383 VanDerWaalsContact O-N 3.09Å; G379-N383 PolarHBondContact O-ND2 3.3Å
380	S	85.3	Confident	91.5	Very high	54 Å²	54	49 Å²	49	38%	0.378	23%	0.231	S	C	.	.	H	α-helix	trans	-69.1	-44.2	175.1	-172.2	0	0	0	0	110.6	D378 N383 K384	D378-S380 PolarHBondContact O-N 2.84Å; D378-S380 WeakPolarHBondContact OD1-CA 3.4Å; D378-S380 WeakPolarHBondContact OD1-CB 3.25Å; D378-S380 PolarHBondContact OD1-N 3.34Å; S380-N383 PolarHBondContact O-N 2.86Å; S380-K384 WeakPolarHBondContact O-CG 3.33Å; S380-K384 PolarHBondContact O-N 2.9Å
381	L	87.1	Confident	91.3	Very high	14 Å²	14	49.2 Å²	49.2	7%	0.073	23%	0.234	C	C	.	.	H	α-helix	trans	-67	-39.8	175.6	-65.9	-176.6	0	0	0	112	T358 D378 N383 K384 G385 F386 E389 F521	T358-L381 HydrophobicContact CG2-CD2 3.64Å; D378-L381 HydrophobicContact CB-CB 4.16Å; D378-L381 HydrophobicContact CB-CD1 4.07Å; D378-L381 HydrophobicContact CB-CG 4.08Å; D378-L381 PolarHBondContact O-N 2.94Å; D378-L381 PolarHBondContact OD1-N 3.12Å; L381-N383 VanDerWaalsContact C-N 3.34Å; L381-N383 PolarHBondContact O-N 3.1Å; L381-K384 CarbonylContact O-C 3.6Å; L381-K384 PolarHBondContact O-N 2.82Å; L381-K384 VanDerWaalsContact O-N 3.16Å; L381-G385 PolarHBondContact O-N 2.93Å; L381-G385 VanDerWaalsContact O-N 3.17Å; L381-F386 HydrophobicContact CB-CB 4.31Å; L381-F386 HydrophobicContact CB-CD2 3.85Å; L381-F386 HydrophobicContact CB-CG 4.44Å; L381-F386 HydrophobicContact CD2-CD2 4.1Å; L381-F386 HydrophobicContact CD2-CE2 4.16Å; L381-F386 HydrophobicContact CG-CD2 4.45Å; L381-F386 WeakPolarHBondContact O-CB 3.11Å; L381-F386 PolarHBondContact O-N 2.9Å; L381-E389 HydrophobicContact CB-CG 4Å; L381-F521 HydrophobicContact CD2-CD1 4.47Å; L381-F521 HydrophobicContact CD2-CE1 4.28Å
382	Y	89.7	Confident	91.1	Very high	59 Å²	59	53 Å²	53	23%	0.231	25%	0.253	C	S	.	.	H	α-helix	trans	-58.4	-44.6	174.6	177.7	-99	0	0	0	112.8	D378 K384 G385 K387 E389 R390	D378-Y382 PolarHBondContact O-N 3.35Å; Y382-K384 VanDerWaalsContact C-N 3.31Å; Y382-K384 PolarHBondContact O-N 2.92Å; Y382-G385 PolarHBondContact O-N 3.04Å; Y382-G385 VanDerWaalsContact O-N 3.13Å; Y382-K387 HydrophobicContact CD2-CD 4.13Å; Y382-K387 HydrophobicContact CE2-CD 3.67Å; Y382-K387 PolarHBondContact O-NZ 3.13Å; Y382-E389 HydrophobicContact CD2-CB 4.34Å; Y382-R390 HydrophobicContact CD1-CG 4.48Å; Y382-R390 HydrophobicContact CD2-CB 4.18Å; Y382-R390 HydrophobicContact CD2-CG 3.58Å; Y382-R390 HydrophobicContact CE2-CB 4.09Å; Y382-R390 VanDerWaalsContact CE2-CD 3.46Å; Y382-R390 HydrophobicContact CE2-CG 3.71Å; Y382-R390 HydrophobicContact CG-CG 3.98Å; Y382-R390 VanDerWaalsContact CZ-CD 3.47Å
383	N	87.2	Confident	90.9	Very high	127 Å²	127	54.8 Å²	54.8	68%	0.679	26%	0.259	S	S	*	.	H	α-helix	trans	-67.2	-32.4	177.4	-71.5	-15.4	0	0	0	111.8	G379 S380 L381 G385	G379-N383 WeakPolarHBondContact O-CB 3.3Å; G379-N383 PolarHBondContact O-N 3.15Å; G379-N383 VanDerWaalsContact O-N 3.09Å; G379-N383 PolarHBondContact O-ND2 3.3Å; S380-N383 PolarHBondContact O-N 2.86Å; L381-N383 VanDerWaalsContact C-N 3.34Å; L381-N383 PolarHBondContact O-N 3.1Å; N383-G385 PolarHBondContact O-N 3.43Å
384	K	85.6	Confident	90.8	Very high	83 Å²	83	61.6 Å²	61.6	36%	0.361	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	2.7	172	-70.8	-173.5	174	-164.9	0	115	S380 L381 Y382 N520 F521	S380-K384 WeakPolarHBondContact O-CG 3.33Å; S380-K384 PolarHBondContact O-N 2.9Å; L381-K384 CarbonylContact O-C 3.6Å; L381-K384 PolarHBondContact O-N 2.82Å; L381-K384 VanDerWaalsContact O-N 3.16Å; Y382-K384 VanDerWaalsContact C-N 3.31Å; Y382-K384 PolarHBondContact O-N 2.92Å; K384-N520 PolarHBondContact NZ-O 3.48Å; K384-F521 HydrophobicContact CB-CE1 3.78Å; K384-F521 HydrophobicContact CB-CZ 4.02Å; K384-F521 HydrophobicContact CD-CD1 4.14Å; K384-F521 HydrophobicContact CD-CE1 3.52Å; K384-F521 HydrophobicContact CD-CZ 4.4Å; K384-F521 HydrophobicContact CG-CE1 4.3Å
385	G	88.9	Confident	90.7	Very high	13 Å²	13	62.1 Å²	62.1	13%	0.134	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	113.9	-6.6	169.4	0	0	0	0	0	116.3	L381 Y382 N383 K387	L381-G385 PolarHBondContact O-N 2.93Å; L381-G385 VanDerWaalsContact O-N 3.17Å; Y382-G385 PolarHBondContact O-N 3.04Å; Y382-G385 VanDerWaalsContact O-N 3.13Å; N383-G385 PolarHBondContact O-N 3.43Å; G385-K387 VanDerWaalsContact C-N 3.29Å; G385-K387 PolarHBondContact O-N 3.16Å
386	F	92.8	Very high	90.7	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.009	28%	0.276	C	S	.	.			trans	-73.8	79.7	175.5	-69.3	-74.5	0	0	0	110.7	T358 R361 H362 E365 L381 G388 E389 F521	T358-F386 HydrophobicContact CG2-CE2 3.57Å; T358-F386 HydrophobicContact CG2-CZ 3.86Å; T358-F386 WeakPolarHBondContact O-CZ 3.31Å; R361-F386 HydrophobicContact CB-CD1 4.35Å; R361-F386 HydrophobicContact CB-CE1 3.57Å; R361-F386 HydrophobicContact CB-CZ 4.16Å; H362-F386 HydrophobicContact CB-CZ 4.14Å; E365-F386 WeakPolarHBondContact OE1-CD1 3.36Å; L381-F386 HydrophobicContact CB-CB 4.31Å; L381-F386 HydrophobicContact CB-CD2 3.85Å; L381-F386 HydrophobicContact CB-CG 4.44Å; L381-F386 HydrophobicContact CD2-CD2 4.1Å; L381-F386 HydrophobicContact CD2-CE2 4.16Å; L381-F386 HydrophobicContact CG-CD2 4.45Å; L381-F386 WeakPolarHBondContact O-CB 3.11Å; L381-F386 PolarHBondContact O-N 2.9Å; F386-G388 PolarHBondContact O-N 3.49Å; F386-E389 HydrophobicContact CB-CG 3.86Å; F386-E389 WeakPolarHBondContact O-CB 3.49Å; F386-E389 VanDerWaalsContact O-CG 3.28Å; F386-E389 WeakPolarHBondContact O-CG 3.39Å; F386-E389 PolarHBondContact O-N 3.47Å; F386-E389 VanDerWaalsContact O-N 3.12Å; F386-F521 HydrophobicContact CD2-CE1 4.31Å; F386-F521 HydrophobicContact CD2-CZ 4.22Å; F386-F521 HydrophobicContact CE2-CD1 4.27Å; F386-F521 AromaticContact CE2-CE1 3.55Å; F386-F521 HydrophobicContact CE2-CE1 3.55Å; F386-F521 AromaticContact CE2-CE2 3.98Å; F386-F521 HydrophobicContact CE2-CE2 3.98Å; F386-F521 AromaticContact CE2-CZ 3.4Å; F386-F521 HydrophobicContact CE2-CZ 3.4Å; F386-F521 HydrophobicContact CZ-CE1 4.47Å; F386-F521 HydrophobicContact CZ-CE2 4.18Å; F386-F521 HydrophobicContact CZ-CZ 4.06Å
387	K	94.8	Very high	91	Very high	68 Å²	68	59.3 Å²	59.3	30%	0.296	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-66.1	-23.5	-173.6	-59.4	-50.3	179.6	-168.1	0	113.6	F338 Y371 Y382 G385 E389	F338-K387 HydrophobicContact CE2-CB 4.3Å; F338-K387 HydrophobicContact CZ-CB 4.12Å; Y371-K387 HydrophobicContact CD1-CB 4.21Å; Y371-K387 HydrophobicContact CD2-CB 4.05Å; Y371-K387 HydrophobicContact CE1-CB 4.02Å; Y371-K387 HydrophobicContact CE1-CG 3.93Å; Y371-K387 HydrophobicContact CE2-CB 3.84Å; Y371-K387 HydrophobicContact CE2-CG 4.07Å; Y371-K387 HydrophobicContact CG-CB 4.25Å; Y382-K387 HydrophobicContact CD2-CD 4.13Å; Y382-K387 HydrophobicContact CE2-CD 3.67Å; Y382-K387 PolarHBondContact O-NZ 3.13Å; G385-K387 VanDerWaalsContact C-N 3.29Å; G385-K387 PolarHBondContact O-N 3.16Å; K387-E389 PolarHBondContact O-N 3.37Å
388	G	94.5	Very high	91.3	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-65.4	-11.7	172.7	0	0	0	0	0	115.4	T372 F386 R390 D391	T372-G388 WeakPolarHBondContact O-CA 3.3Å; F386-G388 PolarHBondContact O-N 3.49Å; G388-R390 VanDerWaalsContact C-N 3.29Å; G388-R390 PolarHBondContact O-N 2.84Å; G388-D391 PolarHBondContact O-N 3.43Å
389	E	94.1	Very high	91.8	Very high	5 Å²	5	52 Å²	52	2%	0.023	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-59.6	-35.1	174.6	-74.8	-61.6	124	0	0	113.9	R361 S374 F377 D378 L381 Y382 F386 K387	R361-E389 IonicContact CZ-OE1 3.68Å; R361-E389 IonicContact NH1-OE1 3.98Å; R361-E389 PolarHBondContact NH1-OE1 2.97Å; R361-E389 IonicContact NH2-OE1 2.88Å; R361-E389 PolarHBondContact NH2-OE1 3.03Å; S374-E389 VanDerWaalsContact CB-OE1 3.29Å; S374-E389 WeakPolarHBondContact CB-OE1 3.34Å; F377-E389 HydrophobicContact CD2-CB 4.19Å; F377-E389 WeakPolarHBondContact CD2-O 3.39Å; F377-E389 HydrophobicContact CE2-CB 4.48Å; D378-E389 WeakPolarHBondContact CB-OE2 3.42Å; D378-E389 PolarHBondContact N-OE2 3.27Å; L381-E389 HydrophobicContact CB-CG 4Å; Y382-E389 HydrophobicContact CD2-CB 4.34Å; F386-E389 HydrophobicContact CB-CG 3.86Å; F386-E389 WeakPolarHBondContact O-CB 3.49Å; F386-E389 VanDerWaalsContact O-CG 3.28Å; F386-E389 WeakPolarHBondContact O-CG 3.39Å; F386-E389 PolarHBondContact O-N 3.47Å; F386-E389 VanDerWaalsContact O-N 3.12Å; K387-E389 PolarHBondContact O-N 3.37Å
390	R	92.1	Very high	92.2	Very high	176 Å²	176	50.8 Å²	50.8	66%	0.664	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-90.4	-7	-177.9	-73.8	-170.9	73.9	-161	2.8	113.7	F377 Y382 G388	F377-R390 HydrophobicContact CD2-CG 4.23Å; F377-R390 HydrophobicContact CE2-CG 3.62Å; F377-R390 HydrophobicContact CZ-CG 4.4Å; Y382-R390 HydrophobicContact CD1-CG 4.48Å; Y382-R390 HydrophobicContact CD2-CB 4.18Å; Y382-R390 HydrophobicContact CD2-CG 3.58Å; Y382-R390 HydrophobicContact CE2-CB 4.09Å; Y382-R390 VanDerWaalsContact CE2-CD 3.46Å; Y382-R390 HydrophobicContact CE2-CG 3.71Å; Y382-R390 HydrophobicContact CG-CG 3.98Å; Y382-R390 VanDerWaalsContact CZ-CD 3.47Å; G388-R390 VanDerWaalsContact C-N 3.29Å; G388-R390 PolarHBondContact O-N 2.84Å
391	D	92.1	Very high	92.8	Very high	35 Å²	35	48.4 Å²	48.4	19%	0.187	22%	0.215	C	C	.	.	S	Bend	trans	-87.9	148.1	179	-162.1	22.7	0	0	0	110	F338 G388 W393 S395 R397	F338-D391 HydrophobicContact CE1-CB 4.22Å; G388-D391 PolarHBondContact O-N 3.43Å; D391-W393 PolarHBondContact O-N 3.14Å; D391-S395 VanDerWaalsContact CG-OG 3.32Å; D391-S395 WeakPolarHBondContact OD2-CB 3.19Å; D391-S395 PolarHBondContact OD2-OG 3.24Å; D391-R397 WeakPolarHBondContact OD2-CB 3.39Å; D391-R397 WeakPolarHBondContact OD2-CD 3.47Å
392	H	93.6	Very high	93.2	Very high	117 Å²	117	48.7 Å²	48.7	54%	0.542	22%	0.216	S	C	.	.			trans	-67.2	132.7	179	-174.5	-96.3	0	0	0	109.3	R394 S395	H392-R394 PolarHBondContact ND1-N 2.99Å; H392-R394 PolarHBondContact O-N 2.78Å; H392-S395 WeakPolarHBondContact O-CB 3.32Å; H392-S395 PolarHBondContact O-N 2.87Å; H392-S395 PolarHBondContact O-OG 2.81Å
393	W	92.9	Very high	93.6	Very high	36 Å²	36	45.9 Å²	45.9	14%	0.136	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-21.8	-172.8	70.5	-91.4	0	0	0	114.6	L346 Y375 D391 I401 A413 F414	L346-W393 HydrophobicContact CD1-CZ3 4.23Å; Y375-W393 AromaticContact CD2-CD2 3.75Å; Y375-W393 HydrophobicContact CD2-CD2 3.75Å; Y375-W393 AromaticContact CD2-CE2 3.66Å; Y375-W393 HydrophobicContact CD2-CE3 4.13Å; Y375-W393 HydrophobicContact CD2-CG 4.12Å; Y375-W393 HydrophobicContact CD2-CH2 4.22Å; Y375-W393 AromaticContact CD2-CZ2 3.94Å; Y375-W393 HydrophobicContact CD2-CZ2 3.94Å; Y375-W393 HydrophobicContact CD2-CZ3 4.34Å; Y375-W393 AromaticContact CD2-NE1 3.99Å; Y375-W393 HydrophobicContact CE2-CD2 4.07Å; Y375-W393 AromaticContact CE2-CE2 3.49Å; Y375-W393 VanDerWaalsContact CE2-CE2 3.49Å; Y375-W393 HydrophobicContact CE2-CE3 4.48Å; Y375-W393 AromaticContact CE2-CH2 3.79Å; Y375-W393 HydrophobicContact CE2-CH2 3.79Å; Y375-W393 AromaticContact CE2-CZ2 3.36Å; Y375-W393 HydrophobicContact CE2-CZ2 3.36Å; Y375-W393 HydrophobicContact CE2-CZ3 4.35Å; Y375-W393 AromaticContact CE2-NE1 3.88Å; D391-W393 PolarHBondContact O-N 3.14Å; W393-I401 HydrophobicContact CB-CG2 3.92Å; W393-I401 HydrophobicContact CE3-CG2 4.45Å; W393-I401 WeakPolarHBondContact O-CG1 3.43Å; W393-A413 HydrophobicContact CH2-CB 4.44Å; W393-F414 HydrophobicContact CE3-CE1 4.2Å; W393-F414 HydrophobicContact CE3-CZ 4.08Å; W393-F414 HydrophobicContact CH2-CZ 4.49Å; W393-F414 AromaticContact CZ3-CE1 3.94Å; W393-F414 HydrophobicContact CZ3-CE1 3.94Å; W393-F414 HydrophobicContact CZ3-CE2 4.35Å; W393-F414 AromaticContact CZ3-CZ 3.69Å; W393-F414 HydrophobicContact CZ3-CZ 3.69Å
394	R	94.1	Very high	94	Very high	145 Å²	145	41.5 Å²	41.5	55%	0.547	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	17.3	170.2	-57.6	-170.8	172.9	-158.4	-5.8	114.8	L346 H392 G396	L346-R394 HydrophobicContact CD1-CG 4.23Å; H392-R394 PolarHBondContact ND1-N 2.99Å; H392-R394 PolarHBondContact O-N 2.78Å; R394-G396 PolarHBondContact O-N 2.79Å
395	S	93.5	Very high	94.4	Very high	17 Å²	17	40.3 Å²	40.3	12%	0.119	18%	0.176	C	C	.	.	S	Bend	trans	-68.2	-23.3	-177.8	71.7	0	0	0	0	113.4	R342 D391 H392 R397	R342-S395 WeakPolarHBondContact CD-O 3.25Å; R342-S395 WeakPolarHBondContact CG-O 3.26Å; D391-S395 VanDerWaalsContact CG-OG 3.32Å; D391-S395 WeakPolarHBondContact OD2-CB 3.19Å; D391-S395 PolarHBondContact OD2-OG 3.24Å; H392-S395 WeakPolarHBondContact O-CB 3.32Å; H392-S395 PolarHBondContact O-N 2.87Å; H392-S395 PolarHBondContact O-OG 2.81Å; S395-R397 PolarHBondContact O-N 2.03Å; S395-R397 PolarHBondContact OG-N 3.46Å
396	G	93.4	Very high	94.6	Very high	4 Å²	4	41.2 Å²	41.2	4%	0.041	18%	0.18	C	C	.	.	S	Bend	trans	71.6	8.7	-171.2	0	0	0	0	0	114.2	R342 T343 R394	R342-G396 CarbonylContact C-O 3.52Å; R342-G396 VanDerWaalsContact CA-O 3.31Å; R342-G396 WeakPolarHBondContact CA-O 3.29Å; T343-G396 WeakPolarHBondContact CG2-O 3.16Å; T343-G396 PolarHBondContact N-O 3.33Å; T343-G396 VanDerWaalsContact O-CA 3.31Å; T343-G396 WeakPolarHBondContact O-CA 3.19Å; R394-G396 PolarHBondContact O-N 2.79Å
397	R	95.1	Very high	94.5	Very high	91 Å²	91	42.1 Å²	42.1	34%	0.343	19%	0.19	S	C	.	.			trans	-95.1	-10.4	-174.8	-56.9	177.1	65.9	-158.7	1.4	114.4	F338 L339 R342 D391 S395	F338-R397 HydrophobicContact CB-CB 4.32Å; F338-R397 HydrophobicContact CD1-CB 3.85Å; F338-R397 HydrophobicContact CG-CB 4.44Å; L339-R397 WeakPolarHBondContact CB-O 3.41Å; L339-R397 PolarHBondContact N-O 3.05Å; R342-R397 HydrophobicContact CG-CG 4.08Å; D391-R397 WeakPolarHBondContact OD2-CB 3.39Å; D391-R397 WeakPolarHBondContact OD2-CD 3.47Å; S395-R397 PolarHBondContact O-N 2.03Å; S395-R397 PolarHBondContact OG-N 3.46Å
398	T	96.4	Very high	94.6	Very high	4 Å²	4	44 Å²	44	3%	0.025	20%	0.198	C	C	.	.	S	Bend	trans	-110.3	145.7	-178.9	55	0	0	0	0	110.9	F338 Y371 G373 S400	F338-T398 HydrophobicContact CD1-CG2 4.13Å; F338-T398 HydrophobicContact CE1-CG2 3.99Å; Y371-T398 CarbonylContact O-C 3.6Å; Y371-T398 VanDerWaalsContact O-CA 3.23Å; Y371-T398 WeakPolarHBondContact O-CA 3.31Å; Y371-T398 VanDerWaalsContact O-CB 3.23Å; Y371-T398 WeakPolarHBondContact O-CB 3.32Å; G373-T398 VanDerWaalsContact N-CB 3.33Å; T398-S400 PolarHBondContact O-N 2.88Å
399	I	96.6	Very high	94.6	Very high	16 Å²	16	51.8 Å²	51.8	8%	0.082	23%	0.232	C	C	.	.	S	Bend	trans	-70.3	-31.1	-173.7	-170.3	58.4	0	0	0	113.7	L339 I364 F370 Y371 T372 L501 L503	L339-I399 HydrophobicContact CD2-CD1 4.32Å; I364-I399 HydrophobicContact CG2-CG2 3.9Å; F370-I399 HydrophobicContact CB-CB 3.85Å; F370-I399 HydrophobicContact CB-CG2 3.95Å; Y371-I399 PolarHBondContact O-N 2.97Å; T372-I399 HydrophobicContact CG2-CG2 4.14Å; I399-L501 HydrophobicContact CD1-CB 4.32Å; I399-L501 HydrophobicContact CG1-CB 4.27Å; I399-L501 HydrophobicContact CG1-CD1 4.08Å; I399-L501 HydrophobicContact CG1-CD2 4.26Å; I399-L501 HydrophobicContact CG1-CG 4.43Å; I399-L503 HydrophobicContact CD1-CD1 3.73Å; I399-L503 HydrophobicContact CD1-CD2 4.46Å; I399-L503 HydrophobicContact CD1-CG 4.15Å; I399-L503 HydrophobicContact CG1-CD1 3.96Å
400	S	96.9	Very high	94.6	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	24%	0.244	C	C	.	.			trans	-151.3	158.3	172.6	64.2	0	0	0	0	110.9	V347 G373 T398	V347-S400 CarbonylContact O-C 3.56Å; V347-S400 WeakPolarHBondContact O-CA 3.45Å; G373-S400 PolarHBondContact N-O 3.22Å; T398-S400 PolarHBondContact O-N 2.88Å
401	I	97.4	Very high	94.9	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	112.9	-175.6	-60.5	85.3	0	0	0	109.2	L346 V347 A348 L349 W393 F414	L346-I401 HydrophobicContact CD2-CD1 4.2Å; V347-I401 WeakPolarHBondContact O-CD1 3.41Å; V347-I401 PolarHBondContact O-N 3.47Å; A348-I401 CarbonylContact C-O 3.45Å; A348-I401 WeakPolarHBondContact CA-O 3.39Å; L349-I401 PolarHBondContact N-O 3.11Å; W393-I401 HydrophobicContact CB-CG2 3.92Å; W393-I401 HydrophobicContact CE3-CG2 4.45Å; W393-I401 WeakPolarHBondContact O-CG1 3.43Å; I401-F414 HydrophobicContact CB-CE1 3.97Å; I401-F414 HydrophobicContact CG1-CE1 4.47Å; I401-F414 HydrophobicContact CG2-CE1 4.15Å; I401-F414 HydrophobicContact CG2-CZ 4.37Å
402	K	96.7	Very high	95.1	Very high	21 Å²	21	48.6 Å²	48.6	9%	0.091	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	133	175.1	175.7	-92.7	158.7	-177	0	111.8	L349 N357 R361 G373 S374 Y375 Y376 H404	L349-K402 WeakPolarHBondContact O-CA 3.34Å; N357-K402 HydrophobicContact CB-CG 4.34Å; N357-K402 VanDerWaalsContact OD1-CE 3.24Å; N357-K402 WeakPolarHBondContact OD1-CE 3.5Å; R361-K402 HydrophobicContact CG-CB 4.34Å; G373-K402 PolarHBondContact O-N 3.33Å; S374-K402 WeakPolarHBondContact CA-O 3.14Å; Y375-K402 PolarHBondContact N-O 3.15Å; Y376-K402 HydrophobicContact CD2-CD 4.5Å; Y376-K402 VanDerWaalsContact CD2-NZ 3.33Å; Y376-K402 VanDerWaalsContact CE2-NZ 3.34Å; K402-H404 WeakPolarHBondContact CE-CE1 3.44Å; K402-H404 WeakPolarHBondContact CE-NE2 3.17Å; K402-H404 PolarHBondContact NZ-CD2 3.39Å; K402-H404 PolarHBondContact NZ-CE1 3.44Å; K402-H404 PolarHBondContact NZ-NE2 3.13Å
403	T	96.8	Very high	95.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	154	179.1	-173.3	0	0	0	0	112.7	A348 L349 A350 S351 E405 W471	A348-T403 HydrophobicContact CB-CG2 4.14Å; L349-T403 PolarHBondContact O-N 3.23Å; A350-T403 HydrophobicContact CB-CG2 4.25Å; S351-T403 PolarHBondContact N-O 2.87Å; T403-E405 WeakPolarHBondContact OG1-CG 3.37Å; T403-E405 PolarHBondContact OG1-N 3.46Å; T403-E405 VanDerWaalsContact OG1-N 3.07Å; T403-W471 HydrophobicContact CG2-CH2 4.09Å; T403-W471 HydrophobicContact CG2-CZ2 3.56Å
404	H	95.6	Very high	95.3	Very high	34 Å²	34	42.9 Å²	42.9	16%	0.157	20%	0.203	C	C	.	.			trans	-116.9	2.4	166.4	-59.9	-43	0	0	0	111.8	S351 P353 N357 Y376 K402 W463 H467	S351-H404 PolarHBondContact O-ND1 2.81Å; P353-H404 HydrophobicContact CG-CB 4.48Å; N357-H404 PolarHBondContact ND2-CE1 3.05Å; N357-H404 PolarHBondContact OD1-CE1 3.38Å; N357-H404 VanDerWaalsContact OD1-CE1 3.26Å; Y376-H404 HydrophobicContact CE2-CB 4.31Å; Y376-H404 WeakPolarHBondContact OH-CA 3.31Å; Y376-H404 WeakPolarHBondContact OH-CB 3.42Å; Y376-H404 PolarHBondContact OH-N 2.75Å; K402-H404 WeakPolarHBondContact CE-CE1 3.44Å; K402-H404 WeakPolarHBondContact CE-NE2 3.17Å; K402-H404 PolarHBondContact NZ-CD2 3.39Å; K402-H404 PolarHBondContact NZ-CE1 3.44Å; K402-H404 PolarHBondContact NZ-NE2 3.13Å; H404-W463 HydrophobicContact CB-CZ2 4.47Å; H404-H467 PolarHBondContact O-CE1 3.19Å; H404-H467 PolarHBondContact O-ND1 3.3Å
405	E	94.9	Very high	95.5	Very high	58 Å²	58	39.1 Å²	39.1	27%	0.271	19%	0.194	S	C	.	.			trans	-61.6	148.9	-178.2	-60.7	-51.8	132.4	0	0	111	Y375 Y376 T403 E410 H467 W471	Y375-E405 HydrophobicContact CD1-CG 3.95Å; Y375-E405 HydrophobicContact CE1-CG 3.73Å; Y375-E405 HydrophobicContact CG-CG 4.45Å; Y376-E405 WeakPolarHBondContact CE1-OE1 3.18Å; Y376-E405 VanDerWaalsContact CZ-OE1 3.25Å; Y376-E405 PolarHBondContact OH-N 3.39Å; Y376-E405 PolarHBondContact OH-OE1 2.95Å; T403-E405 WeakPolarHBondContact OG1-CG 3.37Å; T403-E405 PolarHBondContact OG1-N 3.46Å; T403-E405 VanDerWaalsContact OG1-N 3.07Å; E405-E410 HydrophobicContact CB-CB 3.91Å; E405-E410 HydrophobicContact CB-CG 4.26Å; E405-H467 PolarHBondContact O-CE1 2.86Å; E405-H467 VanDerWaalsContact O-CE1 3.27Å; E405-H467 PolarHBondContact O-ND1 3.43Å; E405-W471 PolarHBondContact O-NE1 2.92Å
406	S	92.1	Very high	95.7	Very high	32 Å²	32	38.9 Å²	38.9	22%	0.224	19%	0.192	C	C	.	.			trans	-129.8	165.3	178.7	-75.6	0	0	0	0	108	H467 D470	S406-H467 WeakPolarHBondContact OG-CA 3.05Å; S406-H467 WeakPolarHBondContact OG-CB 3.31Å; S406-H467 PolarHBondContact OG-ND1 2.89Å; S406-D470 WeakPolarHBondContact CB-OD2 3.39Å
407	G	92.2	Very high	95.9	Very high	21 Å²	21	38.7 Å²	38.7	22%	0.216	19%	0.19	C	C	.	.	S	Bend	trans	89.7	150.6	-176.8	0	0	0	0	0	114.7	K409 E410 I411 D470	G407-K409 PolarHBondContact O-N 2.86Å; G407-E410 PolarHBondContact O-N 2.95Å; G407-I411 WeakPolarHBondContact O-CD1 3.39Å; G407-I411 VanDerWaalsContact O-CG1 3.25Å; G407-I411 WeakPolarHBondContact O-CG1 3.04Å; G407-I411 PolarHBondContact O-N 2.75Å; G407-D470 PolarHBondContact N-OD2 3.05Å
408	K	95.5	Very high	96	Very high	109 Å²	109	34.4 Å²	34.4	47%	0.474	17%	0.174	S	C	.	.	H	α-helix	trans	-55.6	-49.5	-168.3	-179.9	175.3	-179.3	-179.6	0	114.1	E410 I411 E412 Y474	K408-E410 PolarHBondContact O-N 3.2Å; K408-I411 PolarHBondContact O-N 3.32Å; K408-E412 WeakPolarHBondContact CE-OE1 3.4Å; K408-E412 VanDerWaalsContact CE-OE2 3.23Å; K408-E412 WeakPolarHBondContact CE-OE2 3.33Å; K408-E412 HydrophobicContact CG-CG 4.13Å; K408-E412 WeakPolarHBondContact CG-OE2 3.5Å; K408-E412 IonicContact NZ-OE1 3.16Å; K408-E412 WeakPolarHBondContact O-CB 3.21Å; K408-E412 WeakPolarHBondContact O-CG 3.44Å; K408-E412 PolarHBondContact O-N 3.17Å; K408-Y474 HydrophobicContact CB-CD1 3.84Å; K408-Y474 HydrophobicContact CB-CD2 4.1Å; K408-Y474 HydrophobicContact CB-CE1 3.95Å; K408-Y474 HydrophobicContact CB-CE2 4.22Å; K408-Y474 HydrophobicContact CB-CG 3.91Å; K408-Y474 HydrophobicContact CD-CD1 3.93Å; K408-Y474 HydrophobicContact CD-CE1 3.95Å; K408-Y474 HydrophobicContact CG-CD1 3.66Å; K408-Y474 HydrophobicContact CG-CE1 4.04Å; K408-Y474 HydrophobicContact CG-CG 4.04Å
409	K	95.1	Very high	96.1	Very high	162 Å²	162	34.2 Å²	34.2	70%	0.704	17%	0.173	S	C	*	.	H	α-helix	trans	-64.9	-39.6	-172.2	176.7	-170.7	174.9	-166.2	0	112.4	G407	G407-K409 PolarHBondContact O-N 2.86Å
410	E	94.9	Very high	96.1	Very high	60 Å²	60	33.6 Å²	33.6	28%	0.28	17%	0.17	S	C	.	.	H	α-helix	trans	-73.3	-34.6	-179.6	-69.5	61.4	-139.8	0	0	111	E405 G407 K408 F414	E405-E410 HydrophobicContact CB-CB 3.91Å; E405-E410 HydrophobicContact CB-CG 4.26Å; G407-E410 PolarHBondContact O-N 2.95Å; K408-E410 PolarHBondContact O-N 3.2Å; E410-F414 WeakPolarHBondContact O-CD2 3.43Å; E410-F414 WeakPolarHBondContact O-CE2 3.45Å
411	I	96.9	Very high	96.2	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.01	17%	0.17	C	C	.	.	H	α-helix	trans	-75.5	-45.6	178	-66.6	168.1	0	0	0	111.8	G407 K408 A413 F414 D470 W471 Y474	G407-I411 WeakPolarHBondContact O-CD1 3.39Å; G407-I411 VanDerWaalsContact O-CG1 3.25Å; G407-I411 WeakPolarHBondContact O-CG1 3.04Å; G407-I411 PolarHBondContact O-N 2.75Å; K408-I411 PolarHBondContact O-N 3.32Å; I411-A413 PolarHBondContact O-N 3.05Å; I411-A413 VanDerWaalsContact O-N 3.1Å; I411-F414 PolarHBondContact O-N 2.91Å; I411-D470 HydrophobicContact CD1-CB 3.71Å; I411-W471 HydrophobicContact CB-CE3 4.49Å; I411-W471 HydrophobicContact CB-CH2 4.43Å; I411-W471 HydrophobicContact CB-CZ3 4.38Å; I411-W471 HydrophobicContact CD1-CD2 4.05Å; I411-W471 HydrophobicContact CD1-CG 4.05Å; I411-W471 HydrophobicContact CG1-CD2 3.85Å; I411-W471 HydrophobicContact CG1-CE3 4.16Å; I411-W471 HydrophobicContact CG1-CG 4.37Å; I411-W471 HydrophobicContact CG1-CH2 4.11Å; I411-W471 HydrophobicContact CG1-CZ2 3.77Å; I411-W471 HydrophobicContact CG1-CZ3 4.28Å; I411-W471 HydrophobicContact CG2-CD2 4.25Å; I411-W471 HydrophobicContact CG2-CE3 3.74Å; I411-W471 HydrophobicContact CG2-CH2 4.31Å; I411-W471 HydrophobicContact CG2-CZ3 3.78Å; I411-Y474 HydrophobicContact CD1-CD2 4.21Å
412	E	96.1	Very high	96.1	Very high	88 Å²	88	35.8 Å²	35.8	41%	0.411	18%	0.178	S	C	.	.	H	α-helix	trans	-64	-16.2	-179.9	-74.5	180	149.1	0	0	113.6	K408 F414 K476	K408-E412 WeakPolarHBondContact CE-OE1 3.4Å; K408-E412 VanDerWaalsContact CE-OE2 3.23Å; K408-E412 WeakPolarHBondContact CE-OE2 3.33Å; K408-E412 HydrophobicContact CG-CG 4.13Å; K408-E412 WeakPolarHBondContact CG-OE2 3.5Å; K408-E412 IonicContact NZ-OE1 3.16Å; K408-E412 WeakPolarHBondContact O-CB 3.21Å; K408-E412 WeakPolarHBondContact O-CG 3.44Å; K408-E412 PolarHBondContact O-N 3.17Å; E412-F414 PolarHBondContact O-N 3.16Å; E412-K476 PolarHBondContact O-NZ 2.84Å
413	A	95.2	Very high	96.1	Very high	27 Å²	27	35.1 Å²	35.1	22%	0.223	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-10.2	172.3	0	0	0	0	0	114.1	W393 I411	W393-A413 HydrophobicContact CH2-CB 4.44Å; I411-A413 PolarHBondContact O-N 3.05Å; I411-A413 VanDerWaalsContact O-N 3.1Å
414	F	97.1	Very high	96.1	Very high	6 Å²	6	35.2 Å²	35.2	3%	0.026	18%	0.176	C	C	.	.			trans	-106	151.6	173.2	-62.5	-85.1	0	0	0	110.8	L346 A348 W393 I401 E410 I411 E412 W471 K476	L346-F414 HydrophobicContact CB-CD1 3.89Å; A348-F414 HydrophobicContact CB-CB 4.23Å; A348-F414 HydrophobicContact CB-CD1 3.7Å; A348-F414 HydrophobicContact CB-CD2 4.13Å; A348-F414 HydrophobicContact CB-CE1 4.05Å; A348-F414 HydrophobicContact CB-CE2 4.43Å; A348-F414 HydrophobicContact CB-CG 3.74Å; A348-F414 HydrophobicContact CB-CZ 4.4Å; W393-F414 HydrophobicContact CE3-CE1 4.2Å; W393-F414 HydrophobicContact CE3-CZ 4.08Å; W393-F414 HydrophobicContact CH2-CZ 4.49Å; W393-F414 AromaticContact CZ3-CE1 3.94Å; W393-F414 HydrophobicContact CZ3-CE1 3.94Å; W393-F414 HydrophobicContact CZ3-CE2 4.35Å; W393-F414 AromaticContact CZ3-CZ 3.69Å; W393-F414 HydrophobicContact CZ3-CZ 3.69Å; I401-F414 HydrophobicContact CB-CE1 3.97Å; I401-F414 HydrophobicContact CG1-CE1 4.47Å; I401-F414 HydrophobicContact CG2-CE1 4.15Å; I401-F414 HydrophobicContact CG2-CZ 4.37Å; E410-F414 WeakPolarHBondContact O-CD2 3.43Å; E410-F414 WeakPolarHBondContact O-CE2 3.45Å; I411-F414 PolarHBondContact O-N 2.91Å; E412-F414 PolarHBondContact O-N 3.16Å; F414-W471 AromaticContact CD2-CH2 3.72Å; F414-W471 HydrophobicContact CD2-CH2 3.72Å; F414-W471 HydrophobicContact CE2-CH2 4.18Å; F414-W471 HydrophobicContact CG-CH2 4.31Å; F414-K476 WeakPolarHBondContact O-CE 3.43Å; F414-K476 PolarHBondContact O-NZ 3.14Å
415	D	96.8	Very high	96.1	Very high	65 Å²	65	34.9 Å²	34.9	35%	0.348	17%	0.173	S	C	.	.	S	Bend	trans	-92.9	-30.6	-179	-58.5	-56.2	0	0	0	111.9	Q345 L346 K476	Q345-D415 WeakPolarHBondContact CA-OD2 3.49Å; L346-D415 PolarHBondContact N-OD2 2.61Å; L346-D415 PolarHBondContact O-N 2.7Å; D415-K476 IonicContact OD1-NZ 2.85Å; D415-K476 PolarHBondContact OD1-NZ 2.63Å
416	S	97.4	Very high	96	Very high	12 Å²	12	35.8 Å²	35.8	8%	0.084	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	165.1	172.6	62.5	0	0	0	0	110.7	V347 A348 N477	V347-S416 WeakPolarHBondContact CA-O 3.09Å; A348-S416 PolarHBondContact N-O 3.37Å; S416-N477 CarbonylContact C-O 3.58Å; S416-N477 VanDerWaalsContact CA-O 3.23Å; S416-N477 WeakPolarHBondContact CA-O 3.19Å
417	S	97.6	Very high	96.1	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.007	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	143.4	176.7	63.5	0	0	0	0	113.1	A348 W471 N477 V478 H479 F500	A348-S417 CarbonylContact O-C 3.56Å; A348-S417 VanDerWaalsContact O-CA 3.32Å; A348-S417 WeakPolarHBondContact O-CA 3.3Å; S417-W471 VanDerWaalsContact CB-CZ3 3.5Å; S417-N477 PolarHBondContact N-O 3.29Å; S417-V478 WeakPolarHBondContact O-CA 3.18Å; S417-H479 PolarHBondContact O-N 3.14Å; S417-F500 WeakPolarHBondContact O-CE1 3.42Å; S417-F500 WeakPolarHBondContact O-CZ 3.37Å
418	I	98.3	Very high	96.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	113.6	157.5	-59.7	174.5	0	0	0	106.3	A348 L349 A350 I364 H479 V481 M497 F500 L501	A348-I418 PolarHBondContact O-N 2.69Å; L349-I418 HydrophobicContact CD1-CB 4.04Å; L349-I418 HydrophobicContact CD1-CG2 3.93Å; A350-I418 PolarHBondContact N-O 3.26Å; I364-I418 HydrophobicContact CD1-CD1 4.48Å; I418-H479 CarbonylContact C-O 3.48Å; I418-H479 WeakPolarHBondContact CA-O 3.48Å; I418-V481 HydrophobicContact CG2-CG2 3.87Å; I418-M497 HydrophobicContact CD1-CB 4.22Å; I418-M497 HydrophobicContact CD1-CE 4.32Å; I418-M497 HydrophobicContact CD1-CG 4.34Å; I418-M497 HydrophobicContact CG2-CE 4.31Å; I418-F500 HydrophobicContact CD1-CD1 4.19Å; I418-F500 HydrophobicContact CG1-CD1 3.6Å; I418-F500 HydrophobicContact CG1-CE1 3.82Å; I418-L501 HydrophobicContact CD1-CD1 4.36Å; I418-L501 HydrophobicContact CD1-CD2 4.23Å; I418-L501 HydrophobicContact CD1-CG 4.19Å
419	L	97.9	Very high	96.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	103.9	178.8	178.9	58.4	0	0	0	109.6	A350 I421 T468 W471 L472 V478 H479 V480 V481	A350-L419 HydrophobicContact CB-CD1 4.16Å; L419-I421 HydrophobicContact CD2-CD1 4.41Å; L419-I421 HydrophobicContact CG-CD1 4.45Å; L419-I421 HydrophobicContact CG-CG1 4.09Å; L419-T468 HydrophobicContact CD2-CG2 4.24Å; L419-W471 HydrophobicContact CD1-CB 3.75Å; L419-W471 HydrophobicContact CD1-CG 4.11Å; L419-W471 HydrophobicContact CD2-CB 3.86Å; L419-W471 HydrophobicContact CG-CB 4.37Å; L419-L472 HydrophobicContact CD2-CD2 4.06Å; L419-L472 HydrophobicContact CD2-CG 4.04Å; L419-V478 HydrophobicContact CB-CG1 3.72Å; L419-V478 HydrophobicContact CD2-CG1 4.09Å; L419-H479 PolarHBondContact N-O 3.41Å; L419-V480 HydrophobicContact CB-CG2 4.48Å; L419-V480 HydrophobicContact CD2-CG2 4.39Å; L419-V480 WeakPolarHBondContact O-CA 3.26Å; L419-V481 PolarHBondContact O-N 3.23Å
420	M	97.7	Very high	96	Very high	3 Å²	3	23.2 Å²	23.2	2%	0.015	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	113.7	-179.2	-179.5	62.8	57.8	0	0	110.6	A350 S351 A355 A360 V481 F483 L486	A350-M420 PolarHBondContact O-N 3.48Å; S351-M420 WeakPolarHBondContact CB-O 3.36Å; A355-M420 WeakPolarHBondContact O-CG 3.29Å; A360-M420 HydrophobicContact CB-CE 4.09Å; M420-V481 CarbonylContact C-O 3.55Å; M420-V481 WeakPolarHBondContact CA-O 3.39Å; M420-V481 HydrophobicContact CE-CB 3.76Å; M420-V481 HydrophobicContact CE-CG1 3.58Å; M420-V481 HydrophobicContact SD-CB 4.34Å; M420-V481 HydrophobicContact SD-CG1 4.19Å; M420-F483 HydrophobicContact SD-CB 3.97Å; M420-L486 HydrophobicContact CE-CD2 3.71Å
421	I	97.4	Very high	96	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.01	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	118.1	-178.9	-49.7	176.3	0	0	0	109.5	L419 W464 T468 V480 V481 H482 F483 L553 Y565	L419-I421 HydrophobicContact CD2-CD1 4.41Å; L419-I421 HydrophobicContact CG-CD1 4.45Å; L419-I421 HydrophobicContact CG-CG1 4.09Å; I421-W464 HydrophobicContact CG2-CZ2 3.95Å; I421-T468 HydrophobicContact CD1-CG2 3.53Å; I421-T468 HydrophobicContact CG1-CG2 3.99Å; I421-V480 HydrophobicContact CD1-CG1 3.56Å; I421-V480 HydrophobicContact CG1-CG1 4.18Å; I421-V481 PolarHBondContact N-O 3.2Å; I421-H482 VanDerWaalsContact O-CA 3.29Å; I421-H482 WeakPolarHBondContact O-CA 3.5Å; I421-F483 PolarHBondContact O-N 2.96Å; I421-L553 HydrophobicContact CD1-CD1 4.2Å; I421-L553 HydrophobicContact CD1-CD2 4.23Å; I421-Y565 HydrophobicContact CG2-CE2 4.11Å; I421-Y565 PolarHBondContact O-OH 3.32Å
422	R	96.7	Very high	95.8	Very high	48 Å²	48	20.6 Å²	20.6	18%	0.181	10%	0.102	C	C	.	.			trans	-107.3	149.4	173.4	-172.7	174.4	-170.9	-171.1	4.3	110.8	G354 A355 A427 W464 F483 E484	G354-R422 PolarHBondContact O-NH1 3.3Å; A355-R422 HydrophobicContact CB-CB 3.58Å; R422-A427 HydrophobicContact CB-CB 4.27Å; R422-A427 HydrophobicContact CG-CB 4.37Å; R422-W464 PolarHBondContact O-NE1 2.89Å; R422-F483 HydrophobicContact CB-CB 3.71Å; R422-F483 HydrophobicContact CB-CG 4.22Å; R422-F483 HydrophobicContact CG-CB 3.8Å; R422-F483 HydrophobicContact CG-CD1 3.87Å; R422-F483 HydrophobicContact CG-CG 3.87Å; R422-E484 VanDerWaalsContact CG-OE1 3.32Å; R422-E484 WeakPolarHBondContact CG-OE1 3.5Å; R422-E484 WeakPolarHBondContact CG-OE2 3.46Å; R422-E484 IonicContact NE-OE1 2.83Å; R422-E484 PolarHBondContact NE-OE1 3.25Å
423	N	96.1	Very high	95.5	Very high	8 Å²	8	17 Å²	17	4%	0.043	9%	0.086	C	C	.	.			trans	-44.9	124.4	169.9	177.8	-52.7	0	0	0	110.5	Y425 K426 A427 E484 E564 Y565	N423-Y425 VanDerWaalsContact C-N 3.34Å; N423-Y425 PolarHBondContact O-N 3.24Å; N423-Y425 WeakPolarHBondContact OD1-CB 3.06Å; N423-Y425 PolarHBondContact OD1-N 3.38Å; N423-K426 HydrophobicContact CB-CB 4.28Å; N423-K426 HydrophobicContact CB-CD 3.97Å; N423-K426 HydrophobicContact CB-CG 4.23Å; N423-K426 PolarHBondContact O-N 3.4Å; N423-K426 VanDerWaalsContact O-N 3.15Å; N423-K426 PolarHBondContact OD1-N 2.99Å; N423-A427 WeakPolarHBondContact O-CB 3.29Å; N423-A427 PolarHBondContact O-N 2.94Å; N423-E484 PolarHBondContact N-OE2 3.24Å; N423-E484 VanDerWaalsContact N-OE2 3.15Å; N423-E564 PolarHBondContact ND2-O 3.36Å; N423-Y565 HydrophobicContact CB-CD1 3.63Å; N423-Y565 HydrophobicContact CB-CD2 4.42Å; N423-Y565 HydrophobicContact CB-CE1 3.69Å; N423-Y565 HydrophobicContact CB-CE2 4.47Å; N423-Y565 HydrophobicContact CB-CG 4.05Å; N423-Y565 PolarHBondContact N-OH 3.22Å
424	P	96.4	Very high	95.2	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.006	9%	0.092	C	C	.	.	H	α-helix	trans	-63.7	-36.6	-171.2	20.6	-29.2	0	0	0	112.7	K426 A427 L428 W464 I542 I546	P424-K426 VanDerWaalsContact C-N 3.33Å; P424-K426 PolarHBondContact O-N 3.05Å; P424-A427 PolarHBondContact O-N 2.99Å; P424-L428 VanDerWaalsContact O-CB 3.3Å; P424-L428 WeakPolarHBondContact O-CB 3.43Å; P424-L428 WeakPolarHBondContact O-CG 3.11Å; P424-L428 PolarHBondContact O-N 2.76Å; P424-W464 HydrophobicContact CB-CD2 3.71Å; P424-W464 HydrophobicContact CB-CE3 4.04Å; P424-W464 HydrophobicContact CB-CG 4.05Å; P424-W464 HydrophobicContact CB-CZ2 4.19Å; P424-W464 HydrophobicContact CB-CZ3 4.44Å; P424-W464 HydrophobicContact CG-CD2 4.28Å; P424-W464 HydrophobicContact CG-CE3 4.31Å; P424-W464 HydrophobicContact CG-CH2 4.05Å; P424-W464 HydrophobicContact CG-CZ2 3.97Å; P424-W464 HydrophobicContact CG-CZ3 4.2Å; P424-I542 HydrophobicContact CB-CG2 3.99Å; P424-I542 HydrophobicContact CG-CG2 3.65Å; P424-I546 HydrophobicContact CG-CD1 3.67Å; P424-I546 HydrophobicContact CG-CG1 3.51Å
425	Y	94.9	Very high	94.8	Very high	27 Å²	27	24.4 Å²	24.4	11%	0.106	11%	0.111	C	C	.	.	H	α-helix	trans	-58.6	-46.3	175.8	-64.6	-78.7	0	0	0	111.3	N423 M429 Y534 R539 I542 D543 I546	N423-Y425 VanDerWaalsContact C-N 3.34Å; N423-Y425 PolarHBondContact O-N 3.24Å; N423-Y425 WeakPolarHBondContact OD1-CB 3.06Å; N423-Y425 PolarHBondContact OD1-N 3.38Å; Y425-M429 VanDerWaalsContact O-CG 3.3Å; Y425-M429 WeakPolarHBondContact O-CG 3.01Å; Y425-M429 PolarHBondContact O-N 3.35Å; Y425-Y534 VanDerWaalsContact CA-OH 3.31Å; Y425-Y534 WeakPolarHBondContact CA-OH 3.32Å; Y425-Y534 AromaticContact CD1-CD1 3.91Å; Y425-Y534 HydrophobicContact CD1-CD1 3.91Å; Y425-Y534 AromaticContact CD1-CD2 3.79Å; Y425-Y534 HydrophobicContact CD1-CD2 3.79Å; Y425-Y534 AromaticContact CD1-CE1 3.78Å; Y425-Y534 HydrophobicContact CD1-CE1 3.78Å; Y425-Y534 AromaticContact CD1-CE2 3.65Å; Y425-Y534 HydrophobicContact CD1-CE2 3.65Å; Y425-Y534 AromaticContact CD1-CG 3.92Å; Y425-Y534 HydrophobicContact CD1-CG 3.92Å; Y425-Y534 AromaticContact CD1-CZ 3.63Å; Y425-Y534 HydrophobicContact CE1-CD1 4.07Å; Y425-Y534 HydrophobicContact CE1-CD2 4.39Å; Y425-Y534 HydrophobicContact CE1-CE1 4.31Å; Y425-Y534 HydrophobicContact CE1-CG 4.11Å; Y425-Y534 HydrophobicContact CG-CE2 4.4Å; Y425-Y534 PolarHBondContact O-OH 2.78Å; Y425-R539 HydrophobicContact CE1-CG 4.07Å; Y425-R539 VanDerWaalsContact OH-CA 3.28Å; Y425-R539 WeakPolarHBondContact OH-CA 3.28Å; Y425-R539 WeakPolarHBondContact OH-CB 3.42Å; Y425-R539 PolarHBondContact OH-O 2.86Å; Y425-I542 HydrophobicContact CD1-CD1 3.92Å; Y425-I542 HydrophobicContact CD1-CG2 4.24Å; Y425-I542 HydrophobicContact CD2-CG2 4.03Å; Y425-I542 HydrophobicContact CE1-CB 4.06Å; Y425-I542 HydrophobicContact CE1-CD1 3.64Å; Y425-I542 HydrophobicContact CE1-CG1 4.47Å; Y425-I542 HydrophobicContact CE1-CG2 3.84Å; Y425-I542 HydrophobicContact CE2-CB 4.45Å; Y425-I542 HydrophobicContact CE2-CG2 3.6Å; Y425-I542 HydrophobicContact CG-CG2 4.34Å; Y425-D543 VanDerWaalsContact OH-CG 3.23Å; Y425-D543 PolarHBondContact OH-OD1 3.31Å; Y425-D543 PolarHBondContact OH-OD2 2.86Å; Y425-I546 HydrophobicContact CD2-CD1 4.44Å; Y425-I546 HydrophobicContact CE2-CD1 3.89Å
426	K	93.6	Very high	94.1	Very high	78 Å²	78	24.9 Å²	24.9	34%	0.339	11%	0.108	S	C	.	.	H	α-helix	trans	-69.6	-36.6	177.6	-62.6	173.6	-173.9	165.1	0	111.6	N423 P424 A430 E484 E564	N423-K426 HydrophobicContact CB-CB 4.28Å; N423-K426 HydrophobicContact CB-CD 3.97Å; N423-K426 HydrophobicContact CB-CG 4.23Å; N423-K426 PolarHBondContact O-N 3.4Å; N423-K426 VanDerWaalsContact O-N 3.15Å; N423-K426 PolarHBondContact OD1-N 2.99Å; P424-K426 VanDerWaalsContact C-N 3.33Å; P424-K426 PolarHBondContact O-N 3.05Å; K426-A430 WeakPolarHBondContact O-CB 3.39Å; K426-A430 PolarHBondContact O-N 3.37Å; K426-E484 HydrophobicContact CD-CG 4.42Å; K426-E484 WeakPolarHBondContact CD-OE1 3.29Å; K426-E484 IonicContact NZ-OE1 3.35Å; K426-E564 IonicContact NZ-OE1 2.84Å; K426-E564 PolarHBondContact NZ-OE1 2.79Å; K426-E564 IonicContact NZ-OE2 3.24Å; K426-E564 PolarHBondContact NZ-OE2 3.08Å
427	A	95.1	Very high	93.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-71.3	-45.8	-179.7	0	0	0	0	0	112.9	F352 R422 N423 P424 A430 E431	F352-A427 HydrophobicContact CD1-CB 4.09Å; F352-A427 HydrophobicContact CE1-CB 4.25Å; R422-A427 HydrophobicContact CB-CB 4.27Å; R422-A427 HydrophobicContact CG-CB 4.37Å; N423-A427 WeakPolarHBondContact O-CB 3.29Å; N423-A427 PolarHBondContact O-N 2.94Å; P424-A427 PolarHBondContact O-N 2.99Å; A427-A430 CarbonylContact O-C 2.98Å; A427-A430 WeakPolarHBondContact O-CB 3.33Å; A427-A430 PolarHBondContact O-N 3.31Å; A427-A430 VanDerWaalsContact O-N 3.15Å; A427-E431 PolarHBondContact O-N 2.87Å
428	L	96.1	Very high	92.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.6	-48.8	177.8	-70.1	167.7	0	0	0	111.4	F352 P424 A430 E431 F432 W453 F456 Y460 A461 Y534 I542	F352-L428 HydrophobicContact CE1-CD2 4.26Å; F352-L428 HydrophobicContact CZ-CD2 3.99Å; P424-L428 VanDerWaalsContact O-CB 3.3Å; P424-L428 WeakPolarHBondContact O-CB 3.43Å; P424-L428 WeakPolarHBondContact O-CG 3.11Å; P424-L428 PolarHBondContact O-N 2.76Å; L428-A430 VanDerWaalsContact C-N 3.26Å; L428-A430 PolarHBondContact O-N 3.18Å; L428-E431 PolarHBondContact O-N 2.85Å; L428-F432 WeakPolarHBondContact O-CB 3.31Å; L428-F432 PolarHBondContact O-N 2.8Å; L428-W453 HydrophobicContact CB-CH2 4.31Å; L428-F456 HydrophobicContact CB-CE1 4.35Å; L428-F456 HydrophobicContact CD2-CE1 4.07Å; L428-F456 WeakPolarHBondContact O-CE1 3.25Å; L428-Y460 VanDerWaalsContact CD2-CB 3.44Å; L428-A461 HydrophobicContact CD1-CB 3.95Å; L428-Y534 WeakPolarHBondContact CB-OH 3.17Å; L428-Y534 HydrophobicContact CD1-CE1 4.43Å; L428-I542 HydrophobicContact CD1-CD1 3.86Å; L428-I542 HydrophobicContact CD1-CG1 4.3Å
429	M	93.1	Very high	90.9	Very high	52 Å²	52	30.6 Å²	30.6	26%	0.256	15%	0.15	S	C	.	.	H	α-helix	trans	-60.1	-38.1	173.5	-68.6	173.1	81.6	0	0	111.7	Y425 N433 W448 W453 L529 P533 Y534	Y425-M429 VanDerWaalsContact O-CG 3.3Å; Y425-M429 WeakPolarHBondContact O-CG 3.01Å; Y425-M429 PolarHBondContact O-N 3.35Å; M429-N433 WeakPolarHBondContact O-CB 3.31Å; M429-N433 PolarHBondContact O-N 3.03Å; M429-N433 VanDerWaalsContact O-N 3.1Å; M429-N433 PolarHBondContact O-ND2 2.98Å; M429-W448 HydrophobicContact CB-CH2 4.09Å; M429-W448 HydrophobicContact CG-CH2 4.12Å; M429-W448 HydrophobicContact CG-CZ3 4.36Å; M429-W453 HydrophobicContact CG-CH2 3.81Å; M429-W453 HydrophobicContact CG-CZ2 4.38Å; M429-L529 HydrophobicContact CE-CD1 3.65Å; M429-P533 HydrophobicContact CE-CG 4.07Å; M429-P533 HydrophobicContact SD-CG 4.44Å; M429-Y534 HydrophobicContact CG-CE2 3.89Å; M429-Y534 WeakPolarHBondContact CG-OH 3.42Å; M429-Y534 HydrophobicContact SD-CE2 3.81Å
430	A	91.3	Very high	89.6	Confident	8 Å²	8	33.6 Å²	33.6	7%	0.066	17%	0.169	C	C	.	.	H	α-helix	trans	-68.5	-37.3	179.3	0	0	0	0	0	112.4	K426 A427 L428 R434 R523	K426-A430 WeakPolarHBondContact O-CB 3.39Å; K426-A430 PolarHBondContact O-N 3.37Å; A427-A430 CarbonylContact O-C 2.98Å; A427-A430 WeakPolarHBondContact O-CB 3.33Å; A427-A430 PolarHBondContact O-N 3.31Å; A427-A430 VanDerWaalsContact O-N 3.15Å; L428-A430 VanDerWaalsContact C-N 3.26Å; L428-A430 PolarHBondContact O-N 3.18Å; A430-R434 PolarHBondContact O-N 3.26Å; A430-R434 VanDerWaalsContact O-N 3.12Å; A430-R523 VanDerWaalsContact O-CZ 3.26Å; A430-R523 PolarHBondContact O-NH1 2.78Å; A430-R523 PolarHBondContact O-NH2 3.03Å
431	E	93.9	Very high	88.3	Confident	6 Å²	6	34.5 Å²	34.5	3%	0.028	18%	0.178	C	C	.	.	H	α-helix	trans	-76.2	-37.9	177.9	-179	58.3	-164.5	0	0	112.2	P353 G354 A427 L428 N433 R434 K435 F456 Y460	P353-E431 HydrophobicContact CB-CB 4.41Å; P353-E431 HydrophobicContact CB-CG 3.78Å; P353-E431 VanDerWaalsContact CB-OE2 3.28Å; P353-E431 WeakPolarHBondContact CB-OE2 3.4Å; G354-E431 PolarHBondContact N-OE2 3.16Å; A427-E431 PolarHBondContact O-N 2.87Å; L428-E431 PolarHBondContact O-N 2.85Å; E431-N433 PolarHBondContact O-N 3.16Å; E431-R434 VanDerWaalsContact CD-NE 3.3Å; E431-R434 WeakPolarHBondContact O-CA 3.38Å; E431-R434 WeakPolarHBondContact O-CB 3.41Å; E431-R434 PolarHBondContact O-N 2.77Å; E431-R434 VanDerWaalsContact O-N 3.08Å; E431-R434 IonicContact OE1-CZ 2.97Å; E431-R434 VanDerWaalsContact OE1-CZ 3.28Å; E431-R434 IonicContact OE1-NE 3.46Å; E431-R434 PolarHBondContact OE1-NE 3.02Å; E431-R434 IonicContact OE1-NH2 2.76Å; E431-R434 PolarHBondContact OE1-NH2 3.01Å; E431-R434 WeakPolarHBondContact OE2-CD 3.14Å; E431-R434 IonicContact OE2-CZ 3.97Å; E431-R434 IonicContact OE2-NE 2.63Å; E431-R434 PolarHBondContact OE2-NE 3.41Å; E431-R434 IonicContact OE2-NH2 3.14Å; E431-K435 WeakPolarHBondContact O-CB 3.29Å; E431-K435 PolarHBondContact O-N 3.48Å; E431-F456 HydrophobicContact CB-CZ 3.98Å; E431-F456 HydrophobicContact CG-CE2 4.33Å; E431-F456 HydrophobicContact CG-CZ 3.8Å; E431-Y460 HydrophobicContact CG-CD1 4.29Å; E431-Y460 HydrophobicContact CG-CE1 4.07Å
432	F	93.7	Very high	87.4	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-59.8	-46.5	173.3	-169.4	-99.6	0	0	0	111.6	L428 R434 K435 Y436 A443 H447 W448 E452 W453 F456	L428-F432 WeakPolarHBondContact O-CB 3.31Å; L428-F432 PolarHBondContact O-N 2.8Å; F432-R434 VanDerWaalsContact C-N 3.31Å; F432-R434 PolarHBondContact O-N 3.13Å; F432-K435 PolarHBondContact O-N 3.12Å; F432-Y436 HydrophobicContact CD1-CD2 4.19Å; F432-Y436 AromaticContact CD2-CD2 3.8Å; F432-Y436 HydrophobicContact CD2-CD2 3.8Å; F432-Y436 AromaticContact CD2-CE2 3.56Å; F432-Y436 HydrophobicContact CD2-CE2 3.56Å; F432-Y436 HydrophobicContact CE1-CD2 4.11Å; F432-Y436 AromaticContact CE2-CD2 3.73Å; F432-Y436 HydrophobicContact CE2-CD2 3.73Å; F432-Y436 AromaticContact CE2-CE2 3.32Å; F432-Y436 HydrophobicContact CE2-CE2 3.32Å; F432-Y436 HydrophobicContact CG-CD2 4.06Å; F432-Y436 HydrophobicContact CG-CE2 4.28Å; F432-Y436 AromaticContact CZ-CD2 3.89Å; F432-Y436 HydrophobicContact CZ-CD2 3.89Å; F432-Y436 AromaticContact CZ-CE2 3.86Å; F432-Y436 HydrophobicContact CZ-CE2 3.86Å; F432-Y436 WeakPolarHBondContact O-CD2 3.18Å; F432-Y436 PolarHBondContact O-N 2.83Å; F432-Y436 VanDerWaalsContact O-N 3.07Å; F432-A443 HydrophobicContact CD1-CB 3.7Å; F432-A443 HydrophobicContact CE1-CB 3.68Å; F432-H447 HydrophobicContact CE1-CB 3.9Å; F432-H447 HydrophobicContact CZ-CB 3.85Å; F432-W448 HydrophobicContact CB-CH2 4.28Å; F432-W448 HydrophobicContact CD1-CD2 4Å; F432-W448 AromaticContact CD1-CE2 3.82Å; F432-W448 AromaticContact CD1-CE3 3.98Å; F432-W448 HydrophobicContact CD1-CE3 3.98Å; F432-W448 AromaticContact CD1-CH2 3.63Å; F432-W448 HydrophobicContact CD1-CH2 3.63Å; F432-W448 AromaticContact CD1-CZ2 3.63Å; F432-W448 HydrophobicContact CD1-CZ2 3.63Å; F432-W448 AromaticContact CD1-CZ3 3.81Å; F432-W448 HydrophobicContact CD1-CZ3 3.81Å; F432-W448 AromaticContact CE1-CD2 3.79Å; F432-W448 HydrophobicContact CE1-CD2 3.79Å; F432-W448 AromaticContact CE1-CE2 3.97Å; F432-W448 AromaticContact CE1-CE3 3.92Å; F432-W448 HydrophobicContact CE1-CE3 3.92Å; F432-W448 HydrophobicContact CE1-CG 4.3Å; F432-W448 HydrophobicContact CE1-CH2 4.38Å; F432-W448 HydrophobicContact CE1-CZ2 4.26Å; F432-W448 HydrophobicContact CE1-CZ3 4.23Å; F432-W448 HydrophobicContact CG-CH2 4.3Å; F432-W448 HydrophobicContact CG-CZ3 4.46Å; F432-E452 HydrophobicContact CE2-CB 4.34Å; F432-E452 HydrophobicContact CZ-CB 4.34Å; F432-W453 HydrophobicContact CB-CE3 4.04Å; F432-W453 HydrophobicContact CB-CZ3 3.75Å; F432-W453 AromaticContact CD1-CE3 3.98Å; F432-W453 HydrophobicContact CD1-CE3 3.98Å; F432-W453 HydrophobicContact CD1-CZ3 4.41Å; F432-W453 AromaticContact CD2-CE3 3.64Å; F432-W453 HydrophobicContact CD2-CE3 3.64Å; F432-W453 HydrophobicContact CD2-CZ3 4.18Å; F432-W453 HydrophobicContact CE1-CB 4.49Å; F432-W453 HydrophobicContact CE1-CE3 4.28Å; F432-W453 HydrophobicContact CE2-CB 4.1Å; F432-W453 AromaticContact CE2-CE3 3.96Å; F432-W453 HydrophobicContact CE2-CE3 3.96Å; F432-W453 AromaticContact CG-CE3 3.63Å; F432-W453 HydrophobicContact CG-CE3 3.63Å; F432-W453 AromaticContact CG-CZ3 3.89Å; F432-W453 HydrophobicContact CG-CZ3 3.89Å; F432-W453 HydrophobicContact CZ-CB 3.86Å; F432-W453 HydrophobicContact CZ-CE3 4.26Å; F432-F456 HydrophobicContact CB-CD1 4.21Å; F432-F456 HydrophobicContact CB-CE1 3.95Å; F432-F456 HydrophobicContact CB-CZ 4.18Å; F432-F456 HydrophobicContact CD2-CB 3.87Å; F432-F456 AromaticContact CD2-CD1 3.81Å; F432-F456 HydrophobicContact CD2-CD1 3.81Å; F432-F456 AromaticContact CD2-CD2 3.93Å; F432-F456 HydrophobicContact CD2-CD2 3.93Å; F432-F456 HydrophobicContact CD2-CE1 4.33Å; F432-F456 HydrophobicContact CD2-CE2 4.41Å; F432-F456 AromaticContact CD2-CG 3.6Å; F432-F456 HydrophobicContact CD2-CG 3.6Å; F432-F456 HydrophobicContact CE2-CB 4.02Å; F432-F456 HydrophobicContact CE2-CG 4.24Å; F432-F456 HydrophobicContact CG-CD1 4.47Å
433	N	89.7	Confident	86.8	Confident	13 Å²	13	34.7 Å²	34.7	7%	0.07	18%	0.182	C	C	.	.	H	α-helix	trans	-58.1	-41	171.4	-81.4	-54.3	0	0	0	112.4	M429 E431 K435 G437 F442 A443	M429-N433 WeakPolarHBondContact O-CB 3.31Å; M429-N433 PolarHBondContact O-N 3.03Å; M429-N433 VanDerWaalsContact O-N 3.1Å; M429-N433 PolarHBondContact O-ND2 2.98Å; E431-N433 PolarHBondContact O-N 3.16Å; N433-K435 VanDerWaalsContact C-N 3.34Å; N433-K435 PolarHBondContact O-N 3.15Å; N433-G437 VanDerWaalsContact O-CA 3.24Å; N433-G437 WeakPolarHBondContact O-CA 3.5Å; N433-G437 PolarHBondContact O-N 3.41Å; N433-F442 VanDerWaalsContact OD1-CA 3.25Å; N433-F442 WeakPolarHBondContact OD1-CA 3.35Å; N433-A443 PolarHBondContact OD1-N 3.39Å
434	R	88.1	Confident	86.1	Confident	93 Å²	93	37.1 Å²	37.1	35%	0.351	20%	0.2	S	C	.	.	H	α-helix	trans	-61.9	-42.9	176.5	-162.8	-167.2	66.5	81.4	1.5	111.7	A430 E431 F432 G438	A430-R434 PolarHBondContact O-N 3.26Å; A430-R434 VanDerWaalsContact O-N 3.12Å; E431-R434 VanDerWaalsContact CD-NE 3.3Å; E431-R434 WeakPolarHBondContact O-CA 3.38Å; E431-R434 WeakPolarHBondContact O-CB 3.41Å; E431-R434 PolarHBondContact O-N 2.77Å; E431-R434 VanDerWaalsContact O-N 3.08Å; E431-R434 IonicContact OE1-CZ 2.97Å; E431-R434 VanDerWaalsContact OE1-CZ 3.28Å; E431-R434 IonicContact OE1-NE 3.46Å; E431-R434 PolarHBondContact OE1-NE 3.02Å; E431-R434 IonicContact OE1-NH2 2.76Å; E431-R434 PolarHBondContact OE1-NH2 3.01Å; E431-R434 WeakPolarHBondContact OE2-CD 3.14Å; E431-R434 IonicContact OE2-CZ 3.97Å; E431-R434 IonicContact OE2-NE 2.63Å; E431-R434 PolarHBondContact OE2-NE 3.41Å; E431-R434 IonicContact OE2-NH2 3.14Å; F432-R434 VanDerWaalsContact C-N 3.31Å; F432-R434 PolarHBondContact O-N 3.13Å; R434-G438 WeakPolarHBondContact CA-O 3.44Å; R434-G438 CarbonylContact O-C 3.41Å; R434-G438 WeakPolarHBondContact O-CA 3.48Å; R434-G438 PolarHBondContact O-N 3.25Å
435	K	87.9	Confident	85.5	Confident	96 Å²	96	41 Å²	41	42%	0.417	22%	0.218	S	C	.	.	H	α-helix	trans	-69.1	-41.9	-175	-175.7	177.9	176	-167.2	0	112.9	E431 F432 N433 F456	E431-K435 WeakPolarHBondContact O-CB 3.29Å; E431-K435 PolarHBondContact O-N 3.48Å; F432-K435 PolarHBondContact O-N 3.12Å; N433-K435 VanDerWaalsContact C-N 3.34Å; N433-K435 PolarHBondContact O-N 3.15Å; K435-F456 HydrophobicContact CD-CD2 4.29Å; K435-F456 HydrophobicContact CD-CE2 4.11Å
436	Y	83.6	Confident	84.8	Confident	75 Å²	75	43.3 Å²	43.3	29%	0.294	24%	0.242	S	C	.	.	H	α-helix	trans	-105.3	-11.4	-175.4	-61.6	-80.3	0	0	0	114.5	F432 H447	F432-Y436 HydrophobicContact CD1-CD2 4.19Å; F432-Y436 AromaticContact CD2-CD2 3.8Å; F432-Y436 HydrophobicContact CD2-CD2 3.8Å; F432-Y436 AromaticContact CD2-CE2 3.56Å; F432-Y436 HydrophobicContact CD2-CE2 3.56Å; F432-Y436 HydrophobicContact CE1-CD2 4.11Å; F432-Y436 AromaticContact CE2-CD2 3.73Å; F432-Y436 HydrophobicContact CE2-CD2 3.73Å; F432-Y436 AromaticContact CE2-CE2 3.32Å; F432-Y436 HydrophobicContact CE2-CE2 3.32Å; F432-Y436 HydrophobicContact CG-CD2 4.06Å; F432-Y436 HydrophobicContact CG-CE2 4.28Å; F432-Y436 AromaticContact CZ-CD2 3.89Å; F432-Y436 HydrophobicContact CZ-CD2 3.89Å; F432-Y436 AromaticContact CZ-CE2 3.86Å; F432-Y436 HydrophobicContact CZ-CE2 3.86Å; F432-Y436 WeakPolarHBondContact O-CD2 3.18Å; F432-Y436 PolarHBondContact O-N 2.83Å; F432-Y436 VanDerWaalsContact O-N 3.07Å; Y436-H447 AromaticContact CD1-CD2 3.43Å; Y436-H447 VanDerWaalsContact CD1-CD2 3.43Å; Y436-H447 WeakPolarHBondContact CD1-CD2 3.13Å; Y436-H447 AromaticContact CD1-NE2 3.42Å; Y436-H447 WeakPolarHBondContact CD1-NE2 3.49Å; Y436-H447 AromaticContact CE1-CD2 3.8Å; Y436-H447 AromaticContact CG-CD2 3.94Å
437	G	78.3	Confident	84.5	Confident	31 Å²	31	42 Å²	42	32%	0.32	24%	0.237	S	C	.	.	H	α-helix	trans	-122.5	-2.6	178.1	0	0	0	0	0	115.2	N433 G441 F442	N433-G437 VanDerWaalsContact O-CA 3.24Å; N433-G437 WeakPolarHBondContact O-CA 3.5Å; N433-G437 PolarHBondContact O-N 3.41Å; G437-G441 VanDerWaalsContact O-CA 3.25Å; G437-G441 WeakPolarHBondContact O-CA 3.28Å; G437-F442 WeakPolarHBondContact CA-O 3.45Å
438	G	77	Confident	84.1	Confident	32 Å²	32	42.6 Å²	42.6	33%	0.33	24%	0.239	S	C	.	.			trans	77.2	177.6	-174.2	0	0	0	0	0	113.3	R434 V440 G441	R434-G438 WeakPolarHBondContact CA-O 3.44Å; R434-G438 CarbonylContact O-C 3.41Å; R434-G438 WeakPolarHBondContact O-CA 3.48Å; R434-G438 PolarHBondContact O-N 3.25Å; G438-V440 VanDerWaalsContact C-N 3.34Å; G438-V440 PolarHBondContact O-N 3.36Å; G438-V440 VanDerWaalsContact O-N 3.13Å; G438-G441 PolarHBondContact O-N 3.37Å
439	H	70.8	Confident	83.7	Confident	69 Å²	69	49.9 Å²	49.9	32%	0.319	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.7	-49.1	-167.3	-68.4	-97.9	0	0	0	114.5	D378 R523	D378-H439 IonicContact OD2-CE1 3.05Å; D378-H439 PolarHBondContact OD2-CE1 3.14Å; D378-H439 IonicContact OD2-ND1 3.03Å; D378-H439 IonicContact OD2-NE2 2.7Å; D378-H439 PolarHBondContact OD2-NE2 3.29Å; H439-R523 PolarHBondContact O-NE 2.87Å; H439-R523 PolarHBondContact O-NH2 3.23Å
440	V	69.6	Low	83.5	Confident	64 Å²	64	48.6 Å²	48.6	39%	0.388	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-2.2	-177.7	-63.8	0	0	0	0	114.3	G438	G438-V440 VanDerWaalsContact C-N 3.34Å; G438-V440 PolarHBondContact O-N 3.36Å; G438-V440 VanDerWaalsContact O-N 3.13Å
441	G	71.9	Confident	83.6	Confident	21 Å²	21	56.9 Å²	56.9	22%	0.216	31%	0.305	C	S	.	.			trans	-95.9	-173.1	-175.8	0	0	0	0	0	114.2	G437 G438 R523	G437-G441 VanDerWaalsContact O-CA 3.25Å; G437-G441 WeakPolarHBondContact O-CA 3.28Å; G438-G441 PolarHBondContact O-N 3.37Å; G441-R523 VanDerWaalsContact O-CD 3.31Å; G441-R523 WeakPolarHBondContact O-CD 3.25Å
442	F	77.6	Confident	83.6	Confident	47 Å²	47	60.4 Å²	60.4	21%	0.206	32%	0.322	C	S	.	.			trans	-125.7	144	-173.2	-67.6	-92.2	0	0	0	111.3	N433 G437 R523 S524 R527	N433-F442 VanDerWaalsContact OD1-CA 3.25Å; N433-F442 WeakPolarHBondContact OD1-CA 3.35Å; G437-F442 WeakPolarHBondContact CA-O 3.45Å; F442-R523 HydrophobicContact CE2-CB 4.13Å; F442-R523 HydrophobicContact CZ-CB 3.78Å; F442-S524 VanDerWaalsContact CZ-O 3.3Å; F442-S524 WeakPolarHBondContact CZ-O 3.48Å; F442-R527 HydrophobicContact CD1-CB 3.92Å; F442-R527 HydrophobicContact CD2-CB 4.01Å; F442-R527 HydrophobicContact CE1-CB 3.8Å; F442-R527 WeakPolarHBondContact CE1-O 3.07Å; F442-R527 HydrophobicContact CE2-CB 3.89Å; F442-R527 HydrophobicContact CG-CB 4.03Å; F442-R527 HydrophobicContact CZ-CB 3.79Å
443	A	84.8	Confident	83.6	Confident	8 Å²	8	60.6 Å²	60.6	7%	0.066	32%	0.323	C	S	.	.			trans	-66.9	140.8	168.9	0	0	0	0	0	109.6	F432 N433 H447 W448	F432-A443 HydrophobicContact CD1-CB 3.7Å; F432-A443 HydrophobicContact CE1-CB 3.68Å; N433-A443 PolarHBondContact OD1-N 3.39Å; A443-H447 HydrophobicContact CB-CB 4.3Å; A443-W448 HydrophobicContact CB-CZ2 4.37Å; A443-W448 PolarHBondContact O-NE1 2.81Å; A443-W448 VanDerWaalsContact O-NE1 3.15Å
444	S	80.7	Confident	84	Confident	59 Å²	59	62.7 Å²	62.7	41%	0.413	34%	0.337	S	S	.	.			trans	-69.5	156.6	178.2	66.7	0	0	0	0	112.1	A446 H447 W448	S444-A446 PolarHBondContact O-N 3.07Å; S444-H447 WeakPolarHBondContact O-CB 3.37Å; S444-H447 PolarHBondContact O-N 2.92Å; S444-H447 PolarHBondContact OG-CE1 3.02Å; S444-H447 PolarHBondContact OG-ND1 3.41Å; S444-W448 PolarHBondContact O-N 2.94Å
445	Q	83.2	Confident	84.3	Confident	82 Å²	82	64.3 Å²	64.3	38%	0.383	35%	0.348	S	S	.	.	H	α-helix	trans	-55.4	-28.9	180	-161.9	72.5	-29.1	0	0	113.3	W448 K449	Q445-W448 PolarHBondContact O-N 3.5Å; Q445-K449 HydrophobicContact CG-CD 4.28Å; Q445-K449 PolarHBondContact O-N 2.91Å
446	A	80.1	Confident	84.7	Confident	75 Å²	75	60.1 Å²	60.1	62%	0.62	33%	0.33	S	S	*	.	H	α-helix	trans	-64	-39.3	174.2	0	0	0	0	0	112.9	S444 G450	S444-A446 PolarHBondContact O-N 3.07Å; A446-G450 WeakPolarHBondContact O-CA 3.4Å; A446-G450 PolarHBondContact O-N 2.96Å
447	H	87.7	Confident	85.4	Confident	51 Å²	51	56.6 Å²	56.6	24%	0.236	32%	0.316	C	S	.	.	H	α-helix	trans	-69.6	-35.8	176.3	-64.4	105.1	0	0	0	111.9	F432 Y436 A443 S444 G450	F432-H447 HydrophobicContact CE1-CB 3.9Å; F432-H447 HydrophobicContact CZ-CB 3.85Å; Y436-H447 AromaticContact CD1-CD2 3.43Å; Y436-H447 VanDerWaalsContact CD1-CD2 3.43Å; Y436-H447 WeakPolarHBondContact CD1-CD2 3.13Å; Y436-H447 AromaticContact CD1-NE2 3.42Å; Y436-H447 WeakPolarHBondContact CD1-NE2 3.49Å; Y436-H447 AromaticContact CE1-CD2 3.8Å; Y436-H447 AromaticContact CG-CD2 3.94Å; A443-H447 HydrophobicContact CB-CB 4.3Å; S444-H447 WeakPolarHBondContact O-CB 3.37Å; S444-H447 PolarHBondContact O-N 2.92Å; S444-H447 PolarHBondContact OG-CE1 3.02Å; S444-H447 PolarHBondContact OG-ND1 3.41Å; H447-G450 PolarHBondContact O-N 3.43Å
448	W	87.6	Confident	86.3	Confident	12 Å²	12	62.5 Å²	62.5	5%	0.045	33%	0.333	C	S	.	.	H	α-helix	trans	-73.1	-32.2	178.9	-69.3	111.5	0	0	0	113.9	M429 F432 A443 S444 Q445 W453 L529 Y531 P533	M429-W448 HydrophobicContact CB-CH2 4.09Å; M429-W448 HydrophobicContact CG-CH2 4.12Å; M429-W448 HydrophobicContact CG-CZ3 4.36Å; F432-W448 HydrophobicContact CB-CH2 4.28Å; F432-W448 HydrophobicContact CD1-CD2 4Å; F432-W448 AromaticContact CD1-CE2 3.82Å; F432-W448 AromaticContact CD1-CE3 3.98Å; F432-W448 HydrophobicContact CD1-CE3 3.98Å; F432-W448 AromaticContact CD1-CH2 3.63Å; F432-W448 HydrophobicContact CD1-CH2 3.63Å; F432-W448 AromaticContact CD1-CZ2 3.63Å; F432-W448 HydrophobicContact CD1-CZ2 3.63Å; F432-W448 AromaticContact CD1-CZ3 3.81Å; F432-W448 HydrophobicContact CD1-CZ3 3.81Å; F432-W448 AromaticContact CE1-CD2 3.79Å; F432-W448 HydrophobicContact CE1-CD2 3.79Å; F432-W448 AromaticContact CE1-CE2 3.97Å; F432-W448 AromaticContact CE1-CE3 3.92Å; F432-W448 HydrophobicContact CE1-CE3 3.92Å; F432-W448 HydrophobicContact CE1-CG 4.3Å; F432-W448 HydrophobicContact CE1-CH2 4.38Å; F432-W448 HydrophobicContact CE1-CZ2 4.26Å; F432-W448 HydrophobicContact CE1-CZ3 4.23Å; F432-W448 HydrophobicContact CG-CH2 4.3Å; F432-W448 HydrophobicContact CG-CZ3 4.46Å; A443-W448 HydrophobicContact CB-CZ2 4.37Å; A443-W448 PolarHBondContact O-NE1 2.81Å; A443-W448 VanDerWaalsContact O-NE1 3.15Å; S444-W448 PolarHBondContact O-N 2.94Å; Q445-W448 PolarHBondContact O-N 3.5Å; W448-W453 AromaticContact CE3-CD2 3.91Å; W448-W453 HydrophobicContact CE3-CD2 3.91Å; W448-W453 HydrophobicContact CE3-CE3 4.01Å; W448-W453 HydrophobicContact CE3-CG 4.2Å; W448-W453 HydrophobicContact CE3-CZ3 4.48Å; W448-W453 HydrophobicContact CH2-CE3 4.34Å; W448-W453 HydrophobicContact CH2-CH2 4.42Å; W448-W453 HydrophobicContact CH2-CZ3 4.1Å; W448-W453 AromaticContact CZ3-CD2 3.74Å; W448-W453 HydrophobicContact CZ3-CD2 3.74Å; W448-W453 AromaticContact CZ3-CE2 3.98Å; W448-W453 AromaticContact CZ3-CE3 3.5Å; W448-W453 HydrophobicContact CZ3-CE3 3.5Å; W448-W453 HydrophobicContact CZ3-CG 4.49Å; W448-W453 AromaticContact CZ3-CH2 3.79Å; W448-W453 HydrophobicContact CZ3-CH2 3.79Å; W448-W453 AromaticContact CZ3-CZ2 3.99Å; W448-W453 HydrophobicContact CZ3-CZ2 3.99Å; W448-W453 AromaticContact CZ3-CZ3 3.55Å; W448-W453 HydrophobicContact CZ3-CZ3 3.55Å; W448-L529 HydrophobicContact CB-CD2 4.23Å; W448-L529 HydrophobicContact CD2-CD1 3.76Å; W448-L529 HydrophobicContact CD2-CD2 4.11Å; W448-L529 HydrophobicContact CD2-CG 4.5Å; W448-L529 HydrophobicContact CE3-CD1 3.82Å; W448-L529 HydrophobicContact CG-CD1 4.39Å; W448-L529 HydrophobicContact CG-CD2 3.85Å; W448-L529 HydrophobicContact CH2-CD1 3.91Å; W448-L529 HydrophobicContact CZ2-CD1 3.84Å; W448-L529 HydrophobicContact CZ3-CD1 3.89Å; W448-Y531 WeakPolarHBondContact CB-OH 3.38Å; W448-Y531 PolarHBondContact O-OH 2.03Å; W448-P533 HydrophobicContact CE3-CB 3.99Å; W448-P533 HydrophobicContact CE3-CG 4.39Å; W448-P533 HydrophobicContact CZ3-CB 4.2Å; W448-P533 HydrophobicContact CZ3-CG 4.13Å
449	K	86.9	Confident	87.2	Confident	154 Å²	154	65.5 Å²	65.5	67%	0.67	34%	0.342	S	S	*	.	H	α-helix	trans	-90.6	-6.2	174.1	-64.4	-173.1	176.3	-171.1	0	113.2	Q445 Y531	Q445-K449 HydrophobicContact CG-CD 4.28Å; Q445-K449 PolarHBondContact O-N 2.91Å; K449-Y531 WeakPolarHBondContact CG-OH 3.46Å
450	G	89.7	Confident	88.4	Confident	24 Å²	24	64.9 Å²	64.9	25%	0.247	34%	0.337	C	S	.	.	S	Bend	trans	-83.3	-178.2	-179.4	0	0	0	0	0	113.7	A446 H447 E452 P454	A446-G450 WeakPolarHBondContact O-CA 3.4Å; A446-G450 PolarHBondContact O-N 2.96Å; H447-G450 PolarHBondContact O-N 3.43Å; G450-E452 VanDerWaalsContact C-N 3.25Å; G450-E452 VanDerWaalsContact CA-OE2 3.3Å; G450-E452 WeakPolarHBondContact CA-OE2 3.49Å; G450-P454 WeakPolarHBondContact O-CD 3.49Å
451	K	93	Very high	89.8	Confident	182 Å²	182	61.9 Å²	61.9	79%	0.791	32%	0.319	S	S	*	.	S	Bend	trans	-77.7	-16.6	177	-64.7	-176.4	179.3	-178.2	0	112.3	W453 P454 E455	K451-W453 VanDerWaalsContact C-N 3.34Å; K451-W453 PolarHBondContact O-N 3.23Å; K451-P454 WeakPolarHBondContact O-CD 2.97Å; K451-E455 WeakPolarHBondContact O-CB 3.38Å; K451-E455 PolarHBondContact O-N 3.19Å; K451-E455 VanDerWaalsContact O-N 3.13Å
452	E	93.4	Very high	91	Very high	81 Å²	81	63.4 Å²	63.4	38%	0.379	33%	0.325	S	S	.	.	H	α-helix	trans	-60.9	-38.8	-178.8	-66.3	81.5	172.4	0	0	112.3	F432 G450 F456	F432-E452 HydrophobicContact CE2-CB 4.34Å; F432-E452 HydrophobicContact CZ-CB 4.34Å; G450-E452 VanDerWaalsContact C-N 3.25Å; G450-E452 VanDerWaalsContact CA-OE2 3.3Å; G450-E452 WeakPolarHBondContact CA-OE2 3.49Å; E452-F456 WeakPolarHBondContact O-CB 3.48Å; E452-F456 PolarHBondContact O-N 2.86Å
453	W	94.8	Very high	92	Very high	4 Å²	4	64.7 Å²	64.7	2%	0.015	33%	0.329	C	S	.	.	H	α-helix	trans	-70.5	-51.8	179.6	170.7	-109.7	0	0	0	112.8	L428 M429 F432 W448 K451 E455 F456 V457 P533 Y534	L428-W453 HydrophobicContact CB-CH2 4.31Å; M429-W453 HydrophobicContact CG-CH2 3.81Å; M429-W453 HydrophobicContact CG-CZ2 4.38Å; F432-W453 HydrophobicContact CB-CE3 4.04Å; F432-W453 HydrophobicContact CB-CZ3 3.75Å; F432-W453 AromaticContact CD1-CE3 3.98Å; F432-W453 HydrophobicContact CD1-CE3 3.98Å; F432-W453 HydrophobicContact CD1-CZ3 4.41Å; F432-W453 AromaticContact CD2-CE3 3.64Å; F432-W453 HydrophobicContact CD2-CE3 3.64Å; F432-W453 HydrophobicContact CD2-CZ3 4.18Å; F432-W453 HydrophobicContact CE1-CB 4.49Å; F432-W453 HydrophobicContact CE1-CE3 4.28Å; F432-W453 HydrophobicContact CE2-CB 4.1Å; F432-W453 AromaticContact CE2-CE3 3.96Å; F432-W453 HydrophobicContact CE2-CE3 3.96Å; F432-W453 AromaticContact CG-CE3 3.63Å; F432-W453 HydrophobicContact CG-CE3 3.63Å; F432-W453 AromaticContact CG-CZ3 3.89Å; F432-W453 HydrophobicContact CG-CZ3 3.89Å; F432-W453 HydrophobicContact CZ-CB 3.86Å; F432-W453 HydrophobicContact CZ-CE3 4.26Å; W448-W453 AromaticContact CE3-CD2 3.91Å; W448-W453 HydrophobicContact CE3-CD2 3.91Å; W448-W453 HydrophobicContact CE3-CE3 4.01Å; W448-W453 HydrophobicContact CE3-CG 4.2Å; W448-W453 HydrophobicContact CE3-CZ3 4.48Å; W448-W453 HydrophobicContact CH2-CE3 4.34Å; W448-W453 HydrophobicContact CH2-CH2 4.42Å; W448-W453 HydrophobicContact CH2-CZ3 4.1Å; W448-W453 AromaticContact CZ3-CD2 3.74Å; W448-W453 HydrophobicContact CZ3-CD2 3.74Å; W448-W453 AromaticContact CZ3-CE2 3.98Å; W448-W453 AromaticContact CZ3-CE3 3.5Å; W448-W453 HydrophobicContact CZ3-CE3 3.5Å; W448-W453 HydrophobicContact CZ3-CG 4.49Å; W448-W453 AromaticContact CZ3-CH2 3.79Å; W448-W453 HydrophobicContact CZ3-CH2 3.79Å; W448-W453 AromaticContact CZ3-CZ2 3.99Å; W448-W453 HydrophobicContact CZ3-CZ2 3.99Å; W448-W453 AromaticContact CZ3-CZ3 3.55Å; W448-W453 HydrophobicContact CZ3-CZ3 3.55Å; K451-W453 VanDerWaalsContact C-N 3.34Å; K451-W453 PolarHBondContact O-N 3.23Å; W453-E455 VanDerWaalsContact C-N 3.34Å; W453-E455 PolarHBondContact O-N 3.31Å; W453-F456 HydrophobicContact CE3-CD1 4.15Å; W453-F456 AromaticContact CZ3-CD1 3.96Å; W453-F456 HydrophobicContact CZ3-CD1 3.96Å; W453-F456 HydrophobicContact CZ3-CE1 4.32Å; W453-F456 WeakPolarHBondContact O-CB 3.42Å; W453-F456 PolarHBondContact O-N 2.81Å; W453-F456 VanDerWaalsContact O-N 3.16Å; W453-V457 HydrophobicContact CD2-CG2 3.86Å; W453-V457 HydrophobicContact CE3-CG2 4.02Å; W453-V457 HydrophobicContact CH2-CG2 3.7Å; W453-V457 HydrophobicContact CZ2-CG2 3.51Å; W453-V457 HydrophobicContact CZ3-CG2 3.93Å; W453-V457 WeakPolarHBondContact O-CG2 3.3Å; W453-V457 PolarHBondContact O-N 2.81Å; W453-P533 HydrophobicContact CZ2-CB 4.19Å; W453-P533 HydrophobicContact CZ2-CG 3.93Å; W453-P533 PolarHBondContact NE1-O 2.91Å; W453-Y534 AromaticContact CH2-CE1 3.91Å; W453-Y534 HydrophobicContact CH2-CE1 3.91Å; W453-Y534 HydrophobicContact CH2-CE2 4.35Å; W453-Y534 AromaticContact CH2-CZ 3.64Å; W453-Y534 WeakPolarHBondContact CH2-OH 3.42Å; W453-Y534 AromaticContact CZ2-CD1 3.95Å; W453-Y534 HydrophobicContact CZ2-CD1 3.95Å; W453-Y534 HydrophobicContact CZ2-CD2 4.37Å; W453-Y534 AromaticContact CZ2-CE1 3.43Å; W453-Y534 HydrophobicContact CZ2-CE1 3.43Å; W453-Y534 VanDerWaalsContact CZ2-CE1 3.43Å; W453-Y534 AromaticContact CZ2-CE2 3.9Å; W453-Y534 HydrophobicContact CZ2-CE2 3.9Å; W453-Y534 HydrophobicContact CZ2-CG 4.39Å; W453-Y534 AromaticContact CZ2-CZ 3.41Å; W453-Y534 VanDerWaalsContact CZ2-CZ 3.41Å
454	P	96.5	Very high	92.6	Very high	56 Å²	56	64.4 Å²	64.4	36%	0.364	33%	0.326	S	S	.	.	H	α-helix	trans	-54.7	-44.4	172.1	-26.2	31.3	0	0	0	114.2	G450 K451 F456 V457 K458 M538	G450-P454 WeakPolarHBondContact O-CD 3.49Å; K451-P454 WeakPolarHBondContact O-CD 2.97Å; P454-F456 VanDerWaalsContact C-N 3.35Å; P454-V457 PolarHBondContact O-N 2.78Å; P454-K458 WeakPolarHBondContact O-CB 3.37Å; P454-K458 PolarHBondContact O-N 3.43Å; P454-M538 HydrophobicContact CB-CE 3.6Å; P454-M538 HydrophobicContact CG-CE 3.77Å
455	E	95.8	Very high	93.4	Very high	128 Å²	128	61.7 Å²	61.7	60%	0.598	31%	0.307	S	S	*	.	H	α-helix	trans	-66.7	-37.2	177.7	-173.8	178.4	-178.9	0	0	111.8	K451 W453 N459	K451-E455 WeakPolarHBondContact O-CB 3.38Å; K451-E455 PolarHBondContact O-N 3.19Å; K451-E455 VanDerWaalsContact O-N 3.13Å; W453-E455 VanDerWaalsContact C-N 3.34Å; W453-E455 PolarHBondContact O-N 3.31Å; E455-N459 PolarHBondContact O-N 2.88Å; E455-N459 PolarHBondContact O-ND2 3.22Å
456	F	96.7	Very high	94.1	Very high	7 Å²	7	60.1 Å²	60.1	3%	0.031	31%	0.305	C	S	.	.	H	α-helix	trans	-62.5	-52.7	174.5	179.8	-90.3	0	0	0	111.3	L428 E431 F432 K435 E452 W453 P454 K458 N459 Y460	L428-F456 HydrophobicContact CB-CE1 4.35Å; L428-F456 HydrophobicContact CD2-CE1 4.07Å; L428-F456 WeakPolarHBondContact O-CE1 3.25Å; E431-F456 HydrophobicContact CB-CZ 3.98Å; E431-F456 HydrophobicContact CG-CE2 4.33Å; E431-F456 HydrophobicContact CG-CZ 3.8Å; F432-F456 HydrophobicContact CB-CD1 4.21Å; F432-F456 HydrophobicContact CB-CE1 3.95Å; F432-F456 HydrophobicContact CB-CZ 4.18Å; F432-F456 HydrophobicContact CD2-CB 3.87Å; F432-F456 AromaticContact CD2-CD1 3.81Å; F432-F456 HydrophobicContact CD2-CD1 3.81Å; F432-F456 AromaticContact CD2-CD2 3.93Å; F432-F456 HydrophobicContact CD2-CD2 3.93Å; F432-F456 HydrophobicContact CD2-CE1 4.33Å; F432-F456 HydrophobicContact CD2-CE2 4.41Å; F432-F456 AromaticContact CD2-CG 3.6Å; F432-F456 HydrophobicContact CD2-CG 3.6Å; F432-F456 HydrophobicContact CE2-CB 4.02Å; F432-F456 HydrophobicContact CE2-CG 4.24Å; F432-F456 HydrophobicContact CG-CD1 4.47Å; K435-F456 HydrophobicContact CD-CD2 4.29Å; K435-F456 HydrophobicContact CD-CE2 4.11Å; E452-F456 WeakPolarHBondContact O-CB 3.48Å; E452-F456 PolarHBondContact O-N 2.86Å; W453-F456 HydrophobicContact CE3-CD1 4.15Å; W453-F456 AromaticContact CZ3-CD1 3.96Å; W453-F456 HydrophobicContact CZ3-CD1 3.96Å; W453-F456 HydrophobicContact CZ3-CE1 4.32Å; W453-F456 WeakPolarHBondContact O-CB 3.42Å; W453-F456 PolarHBondContact O-N 2.81Å; W453-F456 VanDerWaalsContact O-N 3.16Å; P454-F456 VanDerWaalsContact C-N 3.35Å; F456-K458 VanDerWaalsContact C-N 3.35Å; F456-K458 PolarHBondContact O-N 2.82Å; F456-N459 PolarHBondContact O-N 3.41Å; F456-Y460 HydrophobicContact CD1-CG 4.37Å; F456-Y460 HydrophobicContact CD2-CD1 4.3Å; F456-Y460 AromaticContact CD2-CD2 3.74Å; F456-Y460 HydrophobicContact CD2-CD2 3.74Å; F456-Y460 HydrophobicContact CD2-CE1 4.31Å; F456-Y460 AromaticContact CD2-CE2 3.79Å; F456-Y460 HydrophobicContact CD2-CE2 3.79Å; F456-Y460 HydrophobicContact CD2-CG 4.03Å; F456-Y460 HydrophobicContact CE1-CD1 4.12Å; F456-Y460 HydrophobicContact CE1-CG 4Å; F456-Y460 AromaticContact CE2-CD1 3.47Å; F456-Y460 HydrophobicContact CE2-CD1 3.47Å; F456-Y460 VanDerWaalsContact CE2-CD1 3.47Å; F456-Y460 AromaticContact CE2-CD2 3.74Å; F456-Y460 HydrophobicContact CE2-CD2 3.74Å; F456-Y460 AromaticContact CE2-CE1 3.41Å; F456-Y460 HydrophobicContact CE2-CE1 3.41Å; F456-Y460 VanDerWaalsContact CE2-CE1 3.41Å; F456-Y460 AromaticContact CE2-CE2 3.73Å; F456-Y460 HydrophobicContact CE2-CE2 3.73Å; F456-Y460 AromaticContact CE2-CG 3.65Å; F456-Y460 HydrophobicContact CE2-CG 3.65Å; F456-Y460 AromaticContact CE2-CZ 3.57Å; F456-Y460 HydrophobicContact CG-CD2 4.19Å; F456-Y460 HydrophobicContact CG-CG 4.37Å; F456-Y460 AromaticContact CZ-CD1 3.35Å; F456-Y460 HydrophobicContact CZ-CD1 3.35Å; F456-Y460 HydrophobicContact CZ-CD2 4.19Å; F456-Y460 AromaticContact CZ-CE1 3.72Å; F456-Y460 HydrophobicContact CZ-CE1 3.72Å; F456-Y460 AromaticContact CZ-CG 3.62Å; F456-Y460 HydrophobicContact CZ-CG 3.62Å; F456-Y460 VanDerWaalsContact O-CB 3.31Å; F456-Y460 WeakPolarHBondContact O-CB 3.43Å; F456-Y460 WeakPolarHBondContact O-CD2 3.43Å; F456-Y460 PolarHBondContact O-N 2.96Å
457	V	97.1	Very high	94.9	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.006	28%	0.276	C	S	.	.	H	α-helix	trans	-57.7	-46.8	180	173.4	0	0	0	0	111.1	W453 P454 N459 Y460 A461 Y534 M538 I542	W453-V457 HydrophobicContact CD2-CG2 3.86Å; W453-V457 HydrophobicContact CE3-CG2 4.02Å; W453-V457 HydrophobicContact CH2-CG2 3.7Å; W453-V457 HydrophobicContact CZ2-CG2 3.51Å; W453-V457 HydrophobicContact CZ3-CG2 3.93Å; W453-V457 WeakPolarHBondContact O-CG2 3.3Å; W453-V457 PolarHBondContact O-N 2.81Å; P454-V457 PolarHBondContact O-N 2.78Å; V457-N459 PolarHBondContact O-N 3.02Å; V457-Y460 PolarHBondContact O-N 3.43Å; V457-A461 HydrophobicContact CG1-CB 4.46Å; V457-A461 VanDerWaalsContact O-CB 3.29Å; V457-A461 WeakPolarHBondContact O-CB 3.44Å; V457-A461 PolarHBondContact O-N 3.03Å; V457-Y534 HydrophobicContact CG1-CE1 4.48Å; V457-Y534 HydrophobicContact CG2-CE1 4.06Å; V457-M538 HydrophobicContact CB-CG 4.48Å; V457-M538 HydrophobicContact CB-SD 4.08Å; V457-M538 HydrophobicContact CG1-CB 4.07Å; V457-M538 HydrophobicContact CG1-CG 3.92Å; V457-M538 HydrophobicContact CG1-SD 4.04Å; V457-M538 HydrophobicContact CG2-SD 4.09Å; V457-I542 HydrophobicContact CG1-CD1 3.95Å
458	K	96.9	Very high	95.4	Very high	156 Å²	156	54.3 Å²	54.3	68%	0.678	27%	0.265	S	S	*	.	H	α-helix	trans	-55	-36.2	179.1	-178.5	174.8	179.8	175.1	0	113.6	P454 F456 P462	P454-K458 WeakPolarHBondContact O-CB 3.37Å; P454-K458 PolarHBondContact O-N 3.43Å; F456-K458 VanDerWaalsContact C-N 3.35Å; F456-K458 PolarHBondContact O-N 2.82Å; K458-P462 VanDerWaalsContact O-CD 3.32Å; K458-P462 WeakPolarHBondContact O-CD 3.19Å; K458-P462 WeakPolarHBondContact O-CG 3.31Å
459	N	95.9	Very high	95.9	Very high	95 Å²	95	55.9 Å²	55.9	51%	0.508	27%	0.274	S	S	.	.	H	α-helix	trans	-91.5	-34.9	-178.4	-69.9	-60.9	0	0	0	113.1	E455 F456 V457	E455-N459 PolarHBondContact O-N 2.88Å; E455-N459 PolarHBondContact O-ND2 3.22Å; F456-N459 PolarHBondContact O-N 3.41Å; V457-N459 PolarHBondContact O-N 3.02Å
460	Y	97.5	Very high	96.4	Very high	55 Å²	55	50.3 Å²	50.3	22%	0.216	25%	0.252	C	S	.	.	H	α-helix	trans	-91.2	-27.7	-171.2	-82	-117.8	0	0	0	113.2	F352 L428 E431 F456 V457 W463 W464	F352-Y460 HydrophobicContact CE2-CD1 4.4Å; F352-Y460 WeakPolarHBondContact CE2-O 3.37Å; F352-Y460 AromaticContact CZ-CD1 3.97Å; F352-Y460 HydrophobicContact CZ-CD1 3.97Å; L428-Y460 VanDerWaalsContact CD2-CB 3.44Å; E431-Y460 HydrophobicContact CG-CD1 4.29Å; E431-Y460 HydrophobicContact CG-CE1 4.07Å; F456-Y460 HydrophobicContact CD1-CG 4.37Å; F456-Y460 HydrophobicContact CD2-CD1 4.3Å; F456-Y460 AromaticContact CD2-CD2 3.74Å; F456-Y460 HydrophobicContact CD2-CD2 3.74Å; F456-Y460 HydrophobicContact CD2-CE1 4.31Å; F456-Y460 AromaticContact CD2-CE2 3.79Å; F456-Y460 HydrophobicContact CD2-CE2 3.79Å; F456-Y460 HydrophobicContact CD2-CG 4.03Å; F456-Y460 HydrophobicContact CE1-CD1 4.12Å; F456-Y460 HydrophobicContact CE1-CG 4Å; F456-Y460 AromaticContact CE2-CD1 3.47Å; F456-Y460 HydrophobicContact CE2-CD1 3.47Å; F456-Y460 VanDerWaalsContact CE2-CD1 3.47Å; F456-Y460 AromaticContact CE2-CD2 3.74Å; F456-Y460 HydrophobicContact CE2-CD2 3.74Å; F456-Y460 AromaticContact CE2-CE1 3.41Å; F456-Y460 HydrophobicContact CE2-CE1 3.41Å; F456-Y460 VanDerWaalsContact CE2-CE1 3.41Å; F456-Y460 AromaticContact CE2-CE2 3.73Å; F456-Y460 HydrophobicContact CE2-CE2 3.73Å; F456-Y460 AromaticContact CE2-CG 3.65Å; F456-Y460 HydrophobicContact CE2-CG 3.65Å; F456-Y460 AromaticContact CE2-CZ 3.57Å; F456-Y460 HydrophobicContact CG-CD2 4.19Å; F456-Y460 HydrophobicContact CG-CG 4.37Å; F456-Y460 AromaticContact CZ-CD1 3.35Å; F456-Y460 HydrophobicContact CZ-CD1 3.35Å; F456-Y460 HydrophobicContact CZ-CD2 4.19Å; F456-Y460 AromaticContact CZ-CE1 3.72Å; F456-Y460 HydrophobicContact CZ-CE1 3.72Å; F456-Y460 AromaticContact CZ-CG 3.62Å; F456-Y460 HydrophobicContact CZ-CG 3.62Å; F456-Y460 VanDerWaalsContact O-CB 3.31Å; F456-Y460 WeakPolarHBondContact O-CB 3.43Å; F456-Y460 WeakPolarHBondContact O-CD2 3.43Å; F456-Y460 PolarHBondContact O-N 2.96Å; V457-Y460 PolarHBondContact O-N 3.43Å; Y460-W463 AromaticContact CD1-CE3 3.94Å; Y460-W463 HydrophobicContact CD1-CE3 3.94Å; Y460-W463 HydrophobicContact CD1-CZ3 4.08Å; Y460-W463 HydrophobicContact CE1-CE3 4.07Å; Y460-W463 AromaticContact CE1-CZ3 3.79Å; Y460-W463 HydrophobicContact CE1-CZ3 3.79Å; Y460-W463 HydrophobicContact CG-CE3 4.48Å; Y460-W463 PolarHBondContact O-N 3Å; Y460-W464 PolarHBondContact O-N 3.4Å
461	A	97.6	Very high	96.8	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.008	24%	0.24	C	C	.	.	H	α-helix	trans	-64.1	-47.7	176.5	0	0	0	0	0	112.2	L428 V457 W463 W464 A465 I542 L545	L428-A461 HydrophobicContact CD1-CB 3.95Å; V457-A461 HydrophobicContact CG1-CB 4.46Å; V457-A461 VanDerWaalsContact O-CB 3.29Å; V457-A461 WeakPolarHBondContact O-CB 3.44Å; V457-A461 PolarHBondContact O-N 3.03Å; A461-W463 PolarHBondContact O-N 3.25Å; A461-W464 WeakPolarHBondContact O-CB 3.29Å; A461-W464 PolarHBondContact O-N 3.13Å; A461-A465 PolarHBondContact O-N 2.86Å; A461-I542 HydrophobicContact CB-CG1 3.84Å; A461-L545 HydrophobicContact CB-CD1 3.93Å
462	P	97.9	Very high	97	Very high	53 Å²	53	40.7 Å²	40.7	34%	0.344	20%	0.203	S	C	.	.	H	α-helix	trans	-61.4	-33	174.4	-23.7	35.5	0	0	0	112.9	K458 A465 S466 L545	K458-P462 VanDerWaalsContact O-CD 3.32Å; K458-P462 WeakPolarHBondContact O-CD 3.19Å; K458-P462 WeakPolarHBondContact O-CG 3.31Å; P462-A465 PolarHBondContact O-N 2.03Å; P462-S466 WeakPolarHBondContact O-CB 3.18Å; P462-S466 PolarHBondContact O-N 3.15Å; P462-S466 PolarHBondContact O-OG 3.15Å; P462-L545 HydrophobicContact CG-CD1 4.41Å
463	W	97.4	Very high	97.2	Very high	75 Å²	75	40.7 Å²	40.7	28%	0.284	21%	0.209	S	C	.	.	H	α-helix	trans	-68.7	-36.2	176.9	-178.5	31.8	0	0	0	112.9	F352 P353 H404 Y460 A461 A465 S466 H467	F352-W463 HydrophobicContact CD2-CD2 4.07Å; F352-W463 HydrophobicContact CD2-CE3 4.15Å; F352-W463 HydrophobicContact CD2-CG 4.34Å; F352-W463 HydrophobicContact CE2-CB 4.17Å; F352-W463 AromaticContact CE2-CD2 3.78Å; F352-W463 HydrophobicContact CE2-CD2 3.78Å; F352-W463 AromaticContact CE2-CE3 3.52Å; F352-W463 HydrophobicContact CE2-CE3 3.52Å; F352-W463 HydrophobicContact CE2-CG 4.08Å; F352-W463 HydrophobicContact CE2-CZ3 4.18Å; F352-W463 HydrophobicContact CZ-CE3 4.41Å; P353-W463 HydrophobicContact CG-CH2 3.45Å; P353-W463 VanDerWaalsContact CG-CH2 3.45Å; P353-W463 HydrophobicContact CG-CZ2 4.29Å; P353-W463 HydrophobicContact CG-CZ3 3.74Å; H404-W463 HydrophobicContact CB-CZ2 4.47Å; Y460-W463 AromaticContact CD1-CE3 3.94Å; Y460-W463 HydrophobicContact CD1-CE3 3.94Å; Y460-W463 HydrophobicContact CD1-CZ3 4.08Å; Y460-W463 HydrophobicContact CE1-CE3 4.07Å; Y460-W463 AromaticContact CE1-CZ3 3.79Å; Y460-W463 HydrophobicContact CE1-CZ3 3.79Å; Y460-W463 HydrophobicContact CG-CE3 4.48Å; Y460-W463 PolarHBondContact O-N 3Å; A461-W463 PolarHBondContact O-N 3.25Å; W463-A465 VanDerWaalsContact C-N 3.29Å; W463-A465 PolarHBondContact O-N 3.33Å; W463-S466 PolarHBondContact O-OG 3.01Å; W463-H467 WeakPolarHBondContact O-CB 3.42Å; W463-H467 PolarHBondContact O-N 2.82Å
464	W	97.9	Very high	97.3	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.008	22%	0.224	C	C	.	.	H	α-helix	trans	-57.3	-43.7	172.3	169.7	95.6	0	0	0	111.6	F352 I421 R422 P424 Y460 A461 T468 I546 V549	F352-W464 HydrophobicContact CD1-CB 4.12Å; F352-W464 AromaticContact CD1-CD1 3.73Å; F352-W464 HydrophobicContact CD1-CG 4.35Å; F352-W464 VanDerWaalsContact CD2-CA 3.41Å; F352-W464 HydrophobicContact CD2-CB 3.82Å; F352-W464 HydrophobicContact CE1-CB 4.2Å; F352-W464 HydrophobicContact CE2-CB 3.88Å; F352-W464 HydrophobicContact CG-CB 3.94Å; F352-W464 AromaticContact CG-CD1 3.89Å; F352-W464 HydrophobicContact CG-CG 4.31Å; F352-W464 HydrophobicContact CZ-CB 4.07Å; I421-W464 HydrophobicContact CG2-CZ2 3.95Å; R422-W464 PolarHBondContact O-NE1 2.89Å; P424-W464 HydrophobicContact CB-CD2 3.71Å; P424-W464 HydrophobicContact CB-CE3 4.04Å; P424-W464 HydrophobicContact CB-CG 4.05Å; P424-W464 HydrophobicContact CB-CZ2 4.19Å; P424-W464 HydrophobicContact CB-CZ3 4.44Å; P424-W464 HydrophobicContact CG-CD2 4.28Å; P424-W464 HydrophobicContact CG-CE3 4.31Å; P424-W464 HydrophobicContact CG-CH2 4.05Å; P424-W464 HydrophobicContact CG-CZ2 3.97Å; P424-W464 HydrophobicContact CG-CZ3 4.2Å; Y460-W464 PolarHBondContact O-N 3.4Å; A461-W464 WeakPolarHBondContact O-CB 3.29Å; A461-W464 PolarHBondContact O-N 3.13Å; W464-T468 PolarHBondContact O-N 2.02Å; W464-T468 PolarHBondContact O-OG1 3.42Å; W464-I546 HydrophobicContact CH2-CG1 4.19Å; W464-I546 HydrophobicContact CZ3-CG1 4.36Å; W464-V549 HydrophobicContact CE3-CG2 4.4Å; W464-V549 HydrophobicContact CH2-CB 4Å; W464-V549 HydrophobicContact CH2-CG1 4.17Å; W464-V549 HydrophobicContact CH2-CG2 3.89Å; W464-V549 HydrophobicContact CZ3-CB 4.18Å; W464-V549 HydrophobicContact CZ3-CG2 3.63Å
465	A	97.6	Very high	97.3	Very high	2 Å²	2	42.4 Å²	42.4	2%	0.017	21%	0.213	C	C	.	.	H	α-helix	trans	-71.1	-52.4	177.8	0	0	0	0	0	111.6	A461 P462 W463 H467 T468 L469 L545 V549	A461-A465 PolarHBondContact O-N 2.86Å; P462-A465 PolarHBondContact O-N 2.03Å; W463-A465 VanDerWaalsContact C-N 3.29Å; W463-A465 PolarHBondContact O-N 3.33Å; A465-H467 VanDerWaalsContact C-N 3.32Å; A465-H467 PolarHBondContact O-N 3.39Å; A465-T468 PolarHBondContact O-N 3.23Å; A465-T468 VanDerWaalsContact O-N 3.09Å; A465-L469 WeakPolarHBondContact O-CB 3.48Å; A465-L469 VanDerWaalsContact O-CG 3.26Å; A465-L469 WeakPolarHBondContact O-CG 3.45Å; A465-L469 PolarHBondContact O-N 3.4Å; A465-L545 HydrophobicContact CB-CB 4.08Å; A465-L545 HydrophobicContact CB-CD2 3.78Å; A465-L545 HydrophobicContact CB-CG 4.41Å; A465-V549 HydrophobicContact CB-CG2 4.06Å
466	S	97.6	Very high	97.2	Very high	49 Å²	49	42.3 Å²	42.3	34%	0.343	21%	0.21	S	C	.	.	H	α-helix	trans	-62.1	-37.9	-176.6	69.2	0	0	0	0	112.5	P462 W463 T468 L469 D470	P462-S466 WeakPolarHBondContact O-CB 3.18Å; P462-S466 PolarHBondContact O-N 3.15Å; P462-S466 PolarHBondContact O-OG 3.15Å; W463-S466 PolarHBondContact O-OG 3.01Å; S466-T468 PolarHBondContact O-N 3.35Å; S466-L469 PolarHBondContact O-N 2.85Å; S466-D470 VanDerWaalsContact O-CB 3.28Å; S466-D470 WeakPolarHBondContact O-CB 3.27Å; S466-D470 VanDerWaalsContact O-CG 3.29Å; S466-D470 PolarHBondContact O-N 3.36Å
467	H	97.8	Very high	97.1	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-59.9	-47.2	173	179.2	86.9	0	0	0	111.7	S351 F352 H404 E405 S406 W463 A465 D470 W471	S351-H467 WeakPolarHBondContact CA-NE2 3.19Å; S351-H467 PolarHBondContact N-NE2 2.92Å; S351-H467 PolarHBondContact O-NE2 2.58Å; F352-H467 PolarHBondContact N-CD2 3.01Å; F352-H467 PolarHBondContact N-NE2 2.83Å; H404-H467 PolarHBondContact O-CE1 3.19Å; H404-H467 PolarHBondContact O-ND1 3.3Å; E405-H467 PolarHBondContact O-CE1 2.86Å; E405-H467 VanDerWaalsContact O-CE1 3.27Å; E405-H467 PolarHBondContact O-ND1 3.43Å; S406-H467 WeakPolarHBondContact OG-CA 3.05Å; S406-H467 WeakPolarHBondContact OG-CB 3.31Å; S406-H467 PolarHBondContact OG-ND1 2.89Å; W463-H467 WeakPolarHBondContact O-CB 3.42Å; W463-H467 PolarHBondContact O-N 2.82Å; A465-H467 VanDerWaalsContact C-N 3.32Å; A465-H467 PolarHBondContact O-N 3.39Å; H467-D470 PolarHBondContact O-N 2.7Å; H467-W471 AromaticContact CD2-CD1 3.93Å; H467-W471 AromaticContact CE1-CD1 3.42Å; H467-W471 VanDerWaalsContact CE1-CD1 3.42Å; H467-W471 AromaticContact CE1-NE1 3.24Å; H467-W471 PolarHBondContact CE1-NE1 2.84Å; H467-W471 AromaticContact ND1-CD1 3.78Å; H467-W471 AromaticContact ND1-NE1 3.81Å; H467-W471 AromaticContact NE2-CD1 3.53Å; H467-W471 AromaticContact NE2-NE1 3.72Å; H467-W471 VanDerWaalsContact O-CD1 3.29Å; H467-W471 PolarHBondContact O-N 3.03Å; H467-W471 VanDerWaalsContact O-N 3.08Å
468	T	97.5	Very high	97.1	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.018	24%	0.237	C	C	.	.	H	α-helix	trans	-63.6	-44.5	178.4	-53.9	0	0	0	0	111.4	L419 I421 W464 A465 S466 W471 L472 V549	L419-T468 HydrophobicContact CD2-CG2 4.24Å; I421-T468 HydrophobicContact CD1-CG2 3.53Å; I421-T468 HydrophobicContact CG1-CG2 3.99Å; W464-T468 PolarHBondContact O-N 2.02Å; W464-T468 PolarHBondContact O-OG1 3.42Å; A465-T468 PolarHBondContact O-N 3.23Å; A465-T468 VanDerWaalsContact O-N 3.09Å; S466-T468 PolarHBondContact O-N 3.35Å; T468-W471 PolarHBondContact O-N 3.45Å; T468-L472 HydrophobicContact CG2-CD1 4.37Å; T468-L472 VanDerWaalsContact O-CG 3.32Å; T468-L472 WeakPolarHBondContact O-CG 2.99Å; T468-L472 PolarHBondContact O-N 2.96Å; T468-V549 HydrophobicContact CG2-CG1 3.75Å; T468-V549 HydrophobicContact CG2-CG2 4.4Å
469	L	97.9	Very high	97.2	Very high	44 Å²	44	42.2 Å²	42.2	23%	0.23	22%	0.217	C	C	.	.	H	α-helix	trans	-66.3	-39.4	179.2	-66.3	170.2	0	0	0	112.5	A465 S466 T473 T548 V549 A552	A465-L469 WeakPolarHBondContact O-CB 3.48Å; A465-L469 VanDerWaalsContact O-CG 3.26Å; A465-L469 WeakPolarHBondContact O-CG 3.45Å; A465-L469 PolarHBondContact O-N 3.4Å; S466-L469 PolarHBondContact O-N 2.85Å; L469-T473 VanDerWaalsContact O-CB 3.24Å; L469-T473 WeakPolarHBondContact O-CB 3.43Å; L469-T473 PolarHBondContact O-N 3.38Å; L469-T473 PolarHBondContact O-OG1 3.2Å; L469-T548 HydrophobicContact CD1-CG2 4Å; L469-V549 HydrophobicContact CG-CG2 4.41Å; L469-A552 HydrophobicContact CD2-CB 3.36Å
470	D	98.1	Very high	97.2	Very high	37 Å²	37	39.1 Å²	39.1	20%	0.198	20%	0.201	C	C	.	.	H	α-helix	trans	-62.5	-48	175	-83.1	-9.8	0	0	0	111.2	S406 G407 I411 S466 H467 L472 T473 Y474	S406-D470 WeakPolarHBondContact CB-OD2 3.39Å; G407-D470 PolarHBondContact N-OD2 3.05Å; I411-D470 HydrophobicContact CD1-CB 3.71Å; S466-D470 VanDerWaalsContact O-CB 3.28Å; S466-D470 WeakPolarHBondContact O-CB 3.27Å; S466-D470 VanDerWaalsContact O-CG 3.29Å; S466-D470 PolarHBondContact O-N 3.36Å; H467-D470 PolarHBondContact O-N 2.7Å; D470-L472 VanDerWaalsContact C-N 3.34Å; D470-L472 PolarHBondContact O-N 2.96Å; D470-T473 PolarHBondContact O-N 3.15Å; D470-T473 VanDerWaalsContact O-N 3.13Å; D470-Y474 HydrophobicContact CB-CD2 4.18Å; D470-Y474 HydrophobicContact CB-CE2 4.32Å; D470-Y474 VanDerWaalsContact O-CD2 3.27Å; D470-Y474 WeakPolarHBondContact O-CD2 3.37Å; D470-Y474 PolarHBondContact O-N 3.07Å
471	W	97.9	Very high	97.2	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.008	19%	0.192	C	C	.	.	H	α-helix	trans	-66.9	-34.1	-179.6	-86.4	97	0	0	0	113	A348 A350 T403 E405 I411 F414 S417 L419 H467 T468 G475 V478	A348-W471 HydrophobicContact CB-CH2 3.47Å; A348-W471 VanDerWaalsContact CB-CH2 3.47Å; A348-W471 HydrophobicContact CB-CZ2 4.35Å; A348-W471 HydrophobicContact CB-CZ3 3.83Å; A350-W471 HydrophobicContact CB-CD2 3.48Å; A350-W471 VanDerWaalsContact CB-CD2 3.48Å; A350-W471 HydrophobicContact CB-CE3 3.91Å; A350-W471 HydrophobicContact CB-CG 3.97Å; A350-W471 HydrophobicContact CB-CH2 4.07Å; A350-W471 HydrophobicContact CB-CZ2 3.68Å; A350-W471 HydrophobicContact CB-CZ3 4.18Å; T403-W471 HydrophobicContact CG2-CH2 4.09Å; T403-W471 HydrophobicContact CG2-CZ2 3.56Å; E405-W471 PolarHBondContact O-NE1 2.92Å; I411-W471 HydrophobicContact CB-CE3 4.49Å; I411-W471 HydrophobicContact CB-CH2 4.43Å; I411-W471 HydrophobicContact CB-CZ3 4.38Å; I411-W471 HydrophobicContact CD1-CD2 4.05Å; I411-W471 HydrophobicContact CD1-CG 4.05Å; I411-W471 HydrophobicContact CG1-CD2 3.85Å; I411-W471 HydrophobicContact CG1-CE3 4.16Å; I411-W471 HydrophobicContact CG1-CG 4.37Å; I411-W471 HydrophobicContact CG1-CH2 4.11Å; I411-W471 HydrophobicContact CG1-CZ2 3.77Å; I411-W471 HydrophobicContact CG1-CZ3 4.28Å; I411-W471 HydrophobicContact CG2-CD2 4.25Å; I411-W471 HydrophobicContact CG2-CE3 3.74Å; I411-W471 HydrophobicContact CG2-CH2 4.31Å; I411-W471 HydrophobicContact CG2-CZ3 3.78Å; F414-W471 AromaticContact CD2-CH2 3.72Å; F414-W471 HydrophobicContact CD2-CH2 3.72Å; F414-W471 HydrophobicContact CE2-CH2 4.18Å; F414-W471 HydrophobicContact CG-CH2 4.31Å; S417-W471 VanDerWaalsContact CB-CZ3 3.5Å; L419-W471 HydrophobicContact CD1-CB 3.75Å; L419-W471 HydrophobicContact CD1-CG 4.11Å; L419-W471 HydrophobicContact CD2-CB 3.86Å; L419-W471 HydrophobicContact CG-CB 4.37Å; H467-W471 AromaticContact CD2-CD1 3.93Å; H467-W471 AromaticContact CE1-CD1 3.42Å; H467-W471 VanDerWaalsContact CE1-CD1 3.42Å; H467-W471 AromaticContact CE1-NE1 3.24Å; H467-W471 PolarHBondContact CE1-NE1 2.84Å; H467-W471 AromaticContact ND1-CD1 3.78Å; H467-W471 AromaticContact ND1-NE1 3.81Å; H467-W471 AromaticContact NE2-CD1 3.53Å; H467-W471 AromaticContact NE2-NE1 3.72Å; H467-W471 VanDerWaalsContact O-CD1 3.29Å; H467-W471 PolarHBondContact O-N 3.03Å; H467-W471 VanDerWaalsContact O-N 3.08Å; T468-W471 PolarHBondContact O-N 3.45Å; W471-G475 WeakPolarHBondContact O-CA 3.41Å; W471-G475 PolarHBondContact O-N 3.09Å; W471-G475 VanDerWaalsContact O-N 3.14Å; W471-V478 WeakPolarHBondContact O-CG2 3.03Å
472	L	97.1	Very high	97.2	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-62.9	-54.9	166	-67.5	171.1	0	0	0	109.7	L419 T468 D470 Y474 V480 A552 L553 R556 M558	L419-L472 HydrophobicContact CD2-CD2 4.06Å; L419-L472 HydrophobicContact CD2-CG 4.04Å; T468-L472 HydrophobicContact CG2-CD1 4.37Å; T468-L472 VanDerWaalsContact O-CG 3.32Å; T468-L472 WeakPolarHBondContact O-CG 2.99Å; T468-L472 PolarHBondContact O-N 2.96Å; D470-L472 VanDerWaalsContact C-N 3.34Å; D470-L472 PolarHBondContact O-N 2.96Å; L472-Y474 PolarHBondContact O-N 3.33Å; L472-V480 HydrophobicContact CD2-CG2 4.05Å; L472-A552 HydrophobicContact CD1-CB 4.17Å; L472-L553 HydrophobicContact CD1-CD2 3.88Å; L472-L553 HydrophobicContact CD1-CG 4.26Å; L472-L553 HydrophobicContact CD2-CD2 3.97Å; L472-R556 PolarHBondContact O-NH1 2.86Å; L472-R556 PolarHBondContact O-NH2 3.3Å; L472-M558 HydrophobicContact CD2-SD 4.36Å
473	T	96.6	Very high	97.1	Very high	81 Å²	81	35.6 Å²	35.6	50%	0.497	18%	0.182	S	C	.	.	H	α-helix	trans	-60.7	-48.5	-171.2	-58.5	0	0	0	0	113.7	L469 D470	L469-T473 VanDerWaalsContact O-CB 3.24Å; L469-T473 WeakPolarHBondContact O-CB 3.43Å; L469-T473 PolarHBondContact O-N 3.38Å; L469-T473 PolarHBondContact O-OG1 3.2Å; D470-T473 PolarHBondContact O-N 3.15Å; D470-T473 VanDerWaalsContact O-N 3.13Å
474	Y	97.3	Very high	96.9	Very high	83 Å²	83	32.6 Å²	32.6	33%	0.325	17%	0.171	S	C	.	.	H	α-helix	trans	-103.2	-9.4	-172	-51.4	-64.6	0	0	0	114	K408 I411 D470 L472 K476	K408-Y474 HydrophobicContact CB-CD1 3.84Å; K408-Y474 HydrophobicContact CB-CD2 4.1Å; K408-Y474 HydrophobicContact CB-CE1 3.95Å; K408-Y474 HydrophobicContact CB-CE2 4.22Å; K408-Y474 HydrophobicContact CB-CG 3.91Å; K408-Y474 HydrophobicContact CD-CD1 3.93Å; K408-Y474 HydrophobicContact CD-CE1 3.95Å; K408-Y474 HydrophobicContact CG-CD1 3.66Å; K408-Y474 HydrophobicContact CG-CE1 4.04Å; K408-Y474 HydrophobicContact CG-CG 4.04Å; I411-Y474 HydrophobicContact CD1-CD2 4.21Å; D470-Y474 HydrophobicContact CB-CD2 4.18Å; D470-Y474 HydrophobicContact CB-CE2 4.32Å; D470-Y474 VanDerWaalsContact O-CD2 3.27Å; D470-Y474 WeakPolarHBondContact O-CD2 3.37Å; D470-Y474 PolarHBondContact O-N 3.07Å; L472-Y474 PolarHBondContact O-N 3.33Å; Y474-K476 PolarHBondContact O-N 3.35Å
475	G	96.3	Very high	96.7	Very high	13 Å²	13	34.3 Å²	34.3	13%	0.134	18%	0.179	C	C	.	.			trans	-71.8	125.5	177.3	0	0	0	0	0	111.8	W471	W471-G475 WeakPolarHBondContact O-CA 3.41Å; W471-G475 PolarHBondContact O-N 3.09Å; W471-G475 VanDerWaalsContact O-N 3.14Å
476	K	93.9	Very high	96.6	Very high	126 Å²	126	34.2 Å²	34.2	55%	0.548	18%	0.178	S	C	.	.	S	Bend	trans	-66	-48.9	-178.7	-59.8	168.6	-170.5	145.5	0	112.4	E412 F414 D415 Y474	E412-K476 PolarHBondContact O-NZ 2.84Å; F414-K476 WeakPolarHBondContact O-CE 3.43Å; F414-K476 PolarHBondContact O-NZ 3.14Å; D415-K476 IonicContact OD1-NZ 2.85Å; D415-K476 PolarHBondContact OD1-NZ 2.63Å; Y474-K476 PolarHBondContact O-N 3.35Å
477	N	96.1	Very high	96.3	Very high	90 Å²	90	39.1 Å²	39.1	48%	0.481	19%	0.193	S	C	.	.	S	Bend	trans	-138.2	112.5	178.5	178	14.9	0	0	0	108.4	S416 S417	S416-N477 CarbonylContact C-O 3.58Å; S416-N477 VanDerWaalsContact CA-O 3.23Å; S416-N477 WeakPolarHBondContact CA-O 3.19Å; S417-N477 PolarHBondContact N-O 3.29Å
478	V	97	Very high	95.9	Very high	20 Å²	20	46.7 Å²	46.7	12%	0.121	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	113.9	-167.2	-173.6	0	0	0	0	110.5	S417 L419 W471 V480	S417-V478 WeakPolarHBondContact O-CA 3.18Å; L419-V478 HydrophobicContact CB-CG1 3.72Å; L419-V478 HydrophobicContact CD2-CG1 4.09Å; W471-V478 WeakPolarHBondContact O-CG2 3.03Å; V478-V480 HydrophobicContact CG1-CG2 4.14Å
479	H	97.3	Very high	95.6	Very high	53 Å²	53	49.4 Å²	49.4	25%	0.245	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	106.4	170.6	-176.3	73	0	0	0	109.4	S417 I418 L419 V481 F500	S417-H479 PolarHBondContact O-N 3.14Å; I418-H479 CarbonylContact C-O 3.48Å; I418-H479 WeakPolarHBondContact CA-O 3.48Å; L419-H479 PolarHBondContact N-O 3.41Å; H479-V481 VanDerWaalsContact CD2-CG2 3.5Å; H479-V481 WeakPolarHBondContact CD2-CG2 3.38Å; H479-F500 HydrophobicContact CB-CB 4.47Å; H479-F500 HydrophobicContact CB-CD1 3.79Å; H479-F500 HydrophobicContact CB-CD2 3.59Å; H479-F500 HydrophobicContact CB-CE1 3.78Å; H479-F500 HydrophobicContact CB-CE2 3.57Å; H479-F500 HydrophobicContact CB-CG 3.68Å; H479-F500 HydrophobicContact CB-CZ 3.64Å; H479-F500 AromaticContact CG-CG 3.95Å
480	V	97.3	Very high	95.3	Very high	30 Å²	30	47.6 Å²	47.6	18%	0.182	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	131.9	179.3	179.4	0	0	0	0	109.8	L419 I421 L472 V478 L553 M558	L419-V480 HydrophobicContact CB-CG2 4.48Å; L419-V480 HydrophobicContact CD2-CG2 4.39Å; L419-V480 WeakPolarHBondContact O-CA 3.26Å; I421-V480 HydrophobicContact CD1-CG1 3.56Å; I421-V480 HydrophobicContact CG1-CG1 4.18Å; L472-V480 HydrophobicContact CD2-CG2 4.05Å; V478-V480 HydrophobicContact CG1-CG2 4.14Å; V480-L553 HydrophobicContact CG1-CD2 4.18Å; V480-L553 HydrophobicContact CG2-CD2 4.08Å; V480-M558 HydrophobicContact CB-SD 4.35Å; V480-M558 HydrophobicContact CG2-CE 3.98Å; V480-M558 HydrophobicContact CG2-SD 3.66Å
481	V	97	Very high	95	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.024	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	126.1	174.8	-176.5	0	0	0	0	109	I418 L419 M420 I421 H479 L486 M497	I418-V481 HydrophobicContact CG2-CG2 3.87Å; L419-V481 PolarHBondContact O-N 3.23Å; M420-V481 CarbonylContact C-O 3.55Å; M420-V481 WeakPolarHBondContact CA-O 3.39Å; M420-V481 HydrophobicContact CE-CB 3.76Å; M420-V481 HydrophobicContact CE-CG1 3.58Å; M420-V481 HydrophobicContact SD-CB 4.34Å; M420-V481 HydrophobicContact SD-CG1 4.19Å; I421-V481 PolarHBondContact N-O 3.2Å; H479-V481 VanDerWaalsContact CD2-CG2 3.5Å; H479-V481 WeakPolarHBondContact CD2-CG2 3.38Å; V481-L486 HydrophobicContact CG1-CB 4.07Å; V481-L486 HydrophobicContact CG1-CD2 4.33Å; V481-M497 HydrophobicContact CG1-SD 4.16Å; V481-M497 HydrophobicContact CG2-CG 3.85Å; V481-M497 HydrophobicContact CG2-SD 4.1Å
482	H	97.1	Very high	94.7	Very high	9 Å²	9	50.2 Å²	50.2	4%	0.042	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	126.4	175	-67.5	-74	0	0	0	110.5	I421 E484 E485 L486 G560 P562 Y565	I421-H482 VanDerWaalsContact O-CA 3.29Å; I421-H482 WeakPolarHBondContact O-CA 3.5Å; H482-E484 VanDerWaalsContact C-N 3.28Å; H482-E484 PolarHBondContact O-N 2.79Å; H482-E485 HydrophobicContact CB-CB 4.12Å; H482-E485 HydrophobicContact CB-CG 3.71Å; H482-E485 IonicContact CD2-OE2 3.76Å; H482-E485 PolarHBondContact CD2-OE2 2.94Å; H482-E485 IonicContact CG-OE2 3.31Å; H482-E485 PolarHBondContact O-N 3.11Å; H482-L486 PolarHBondContact O-N 2.97Å; H482-G560 PolarHBondContact NE2-O 2.88Å; H482-P562 HydrophobicContact CB-CG 3.78Å; H482-P562 WeakPolarHBondContact ND1-CD 3.24Å; H482-Y565 AromaticContact ND1-CE2 3.94Å; H482-Y565 AromaticContact ND1-CZ 3.99Å
483	F	95.5	Very high	94.7	Very high	22 Å²	22	52.5 Å²	52.5	10%	0.096	26%	0.255	C	S	.	.	H	α-helix	trans	-57.4	-42.4	-175.4	172.9	-83.8	0	0	0	112.1	A355 W359 M420 I421 R422 E485 K487	A355-F483 WeakPolarHBondContact O-CD2 3.43Å; W359-F483 HydrophobicContact CD2-CE2 4.31Å; W359-F483 AromaticContact CE3-CD2 3.91Å; W359-F483 HydrophobicContact CE3-CD2 3.91Å; W359-F483 AromaticContact CE3-CE2 3.37Å; W359-F483 HydrophobicContact CE3-CE2 3.37Å; W359-F483 HydrophobicContact CE3-CZ 4.05Å; W359-F483 AromaticContact CZ3-CD2 3.99Å; W359-F483 HydrophobicContact CZ3-CD2 3.99Å; W359-F483 AromaticContact CZ3-CE2 3.68Å; W359-F483 HydrophobicContact CZ3-CE2 3.68Å; W359-F483 HydrophobicContact CZ3-CZ 4.13Å; M420-F483 HydrophobicContact SD-CB 3.97Å; I421-F483 PolarHBondContact O-N 2.96Å; R422-F483 HydrophobicContact CB-CB 3.71Å; R422-F483 HydrophobicContact CB-CG 4.22Å; R422-F483 HydrophobicContact CG-CB 3.8Å; R422-F483 HydrophobicContact CG-CD1 3.87Å; R422-F483 HydrophobicContact CG-CG 3.87Å; F483-E485 VanDerWaalsContact C-N 3.29Å; F483-E485 PolarHBondContact O-N 2.88Å; F483-K487 WeakPolarHBondContact O-CB 3.32Å; F483-K487 PolarHBondContact O-N 3.12Å
484	E	93.7	Very high	94.7	Very high	11 Å²	11	48.7 Å²	48.7	5%	0.051	23%	0.232	C	C	.	.	H	α-helix	trans	-71.6	-22.3	179.9	-77.8	80.3	-164	0	0	113.3	R422 N423 K426 H482 R488 E564 Y565	R422-E484 VanDerWaalsContact CG-OE1 3.32Å; R422-E484 WeakPolarHBondContact CG-OE1 3.5Å; R422-E484 WeakPolarHBondContact CG-OE2 3.46Å; R422-E484 IonicContact NE-OE1 2.83Å; R422-E484 PolarHBondContact NE-OE1 3.25Å; N423-E484 PolarHBondContact N-OE2 3.24Å; N423-E484 VanDerWaalsContact N-OE2 3.15Å; K426-E484 HydrophobicContact CD-CG 4.42Å; K426-E484 WeakPolarHBondContact CD-OE1 3.29Å; K426-E484 IonicContact NZ-OE1 3.35Å; H482-E484 VanDerWaalsContact C-N 3.28Å; H482-E484 PolarHBondContact O-N 2.79Å; E484-R488 WeakPolarHBondContact O-CB 3.05Å; E484-R488 PolarHBondContact O-N 2.95Å; E484-R488 VanDerWaalsContact O-N 3.16Å; E484-E564 WeakPolarHBondContact CG-OE1 3.36Å; E484-Y565 HydrophobicContact CB-CE1 4.3Å; E484-Y565 HydrophobicContact CG-CE1 4.48Å; E484-Y565 WeakPolarHBondContact OE2-CE1 3.49Å; E484-Y565 PolarHBondContact OE2-OH 3.02Å
485	E	94.4	Very high	94.6	Very high	38 Å²	38	47.7 Å²	47.7	18%	0.178	23%	0.229	C	C	.	.	H	α-helix	trans	-81.4	-43	173.7	-54.1	-160.4	111.6	0	0	111.5	H482 F483 K487 R488 D489 P562	H482-E485 HydrophobicContact CB-CB 4.12Å; H482-E485 HydrophobicContact CB-CG 3.71Å; H482-E485 IonicContact CD2-OE2 3.76Å; H482-E485 PolarHBondContact CD2-OE2 2.94Å; H482-E485 IonicContact CG-OE2 3.31Å; H482-E485 PolarHBondContact O-N 3.11Å; F483-E485 VanDerWaalsContact C-N 3.29Å; F483-E485 PolarHBondContact O-N 2.88Å; E485-K487 PolarHBondContact O-N 3.17Å; E485-R488 PolarHBondContact O-N 2.77Å; E485-R488 IonicContact OE1-CZ 2.67Å; E485-R488 IonicContact OE1-NH1 3.06Å; E485-R488 IonicContact OE1-NH2 2.8Å; E485-R488 PolarHBondContact OE1-NH2 3.23Å; E485-D489 PolarHBondContact O-N 2.97Å; E485-P562 HydrophobicContact CG-CG 3.88Å
486	L	94.4	Very high	94.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-59.1	-25.9	168.5	-179.2	64.8	0	0	0	112.5	W359 L363 M420 V481 H482 L490 H493 L494 M497	W359-L486 HydrophobicContact CE3-CD2 4.4Å; W359-L486 HydrophobicContact CH2-CD2 4.4Å; W359-L486 HydrophobicContact CH2-CG 4.04Å; W359-L486 HydrophobicContact CZ3-CB 4.42Å; W359-L486 HydrophobicContact CZ3-CD2 3.85Å; W359-L486 HydrophobicContact CZ3-CG 3.92Å; L363-L486 HydrophobicContact CD1-CD1 4.48Å; L363-L486 HydrophobicContact CD1-CD2 3.98Å; L363-L486 HydrophobicContact CD1-CG 4.28Å; M420-L486 HydrophobicContact CE-CD2 3.71Å; V481-L486 HydrophobicContact CG1-CB 4.07Å; V481-L486 HydrophobicContact CG1-CD2 4.33Å; H482-L486 PolarHBondContact O-N 2.97Å; L486-L490 HydrophobicContact CD1-CD1 3.65Å; L486-L490 HydrophobicContact CG-CD1 4.18Å; L486-L490 VanDerWaalsContact O-CA 3.29Å; L486-L490 WeakPolarHBondContact O-CA 3.42Å; L486-H493 HydrophobicContact CB-CB 4.35Å; L486-H493 HydrophobicContact CD1-CB 3.65Å; L486-L494 HydrophobicContact CD1-CB 4.36Å; L486-M497 HydrophobicContact CD1-SD 4.18Å; L486-M497 HydrophobicContact CD2-SD 4.21Å
487	K	91.1	Very high	94.8	Very high	152 Å²	152	41.9 Å²	41.9	66%	0.661	20%	0.204	S	C	*	.	H	α-helix	trans	-78.4	-33.6	172	-165.6	-155.9	167.4	-145.9	0	112.6	W359 F483 E485	W359-K487 HydrophobicContact CH2-CB 4.19Å; F483-K487 WeakPolarHBondContact O-CB 3.32Å; F483-K487 PolarHBondContact O-N 3.12Å; E485-K487 PolarHBondContact O-N 3.17Å
488	R	90.3	Very high	94.9	Very high	161 Å²	161	37.8 Å²	37.8	61%	0.608	18%	0.183	S	C	*	.	H	α-helix	trans	-78.6	-48.6	-176.9	-177.7	177	68	-124.5	0.7	111.6	E484 E485	E484-R488 WeakPolarHBondContact O-CB 3.05Å; E484-R488 PolarHBondContact O-N 2.95Å; E484-R488 VanDerWaalsContact O-N 3.16Å; E485-R488 PolarHBondContact O-N 2.77Å; E485-R488 IonicContact OE1-CZ 2.67Å; E485-R488 IonicContact OE1-NH1 3.06Å; E485-R488 IonicContact OE1-NH2 2.8Å; E485-R488 PolarHBondContact OE1-NH2 3.23Å
489	D	91.3	Very high	94.9	Very high	59 Å²	59	42.3 Å²	42.3	32%	0.316	20%	0.202	S	C	.	.	S	Bend	trans	-127.3	90.6	175.2	175	-1.6	0	0	0	107.8	E485 F491 S492 H493	E485-D489 PolarHBondContact O-N 2.97Å; D489-F491 PolarHBondContact OD1-N 3.31Å; D489-S492 VanDerWaalsContact CG-OG 3.27Å; D489-S492 WeakPolarHBondContact OD1-CB 3.43Å; D489-S492 PolarHBondContact OD1-N 3Å; D489-S492 PolarHBondContact OD1-OG 2.91Å; D489-S492 VanDerWaalsContact OD1-OG 3.11Å; D489-S492 WeakPolarHBondContact OD2-CB 3.47Å; D489-S492 PolarHBondContact OD2-OG 3.09Å; D489-H493 PolarHBondContact O-ND1 2.82Å
490	L	92.3	Very high	94.9	Very high	6 Å²	6	42 Å²	42	3%	0.031	20%	0.201	C	C	.	.	H	α-helix	trans	-70.7	-41.6	-179.1	176.8	56.4	0	0	0	111.3	L363 L486 L494 E514 K517	L363-L490 HydrophobicContact CD1-CD1 3.6Å; L363-L490 HydrophobicContact CD2-CD1 3.95Å; L363-L490 HydrophobicContact CD2-CD2 4.1Å; L363-L490 HydrophobicContact CG-CD1 4.34Å; L486-L490 HydrophobicContact CD1-CD1 3.65Å; L486-L490 HydrophobicContact CG-CD1 4.18Å; L486-L490 VanDerWaalsContact O-CA 3.29Å; L486-L490 WeakPolarHBondContact O-CA 3.42Å; L490-L494 HydrophobicContact CD1-CB 4.28Å; L490-L494 HydrophobicContact CD1-CD2 4.15Å; L490-L494 WeakPolarHBondContact O-CB 3.02Å; L490-L494 PolarHBondContact O-N 2.95Å; L490-E514 HydrophobicContact CD2-CG 4.11Å; L490-E514 HydrophobicContact CG-CG 4.45Å; L490-K517 HydrophobicContact CD2-CB 3.67Å; L490-K517 HydrophobicContact CD2-CD 3.6Å; L490-K517 HydrophobicContact CD2-CG 4.3Å
491	F	91.3	Very high	94.8	Very high	30 Å²	30	41.4 Å²	41.4	13%	0.132	20%	0.196	C	C	.	.	H	α-helix	trans	-62.8	-53	-172.8	-169.8	-89.3	0	0	0	111.7	H295 D489 K495 E507 L510 L511	H295-F491 AromaticContact CE1-CD2 3.81Å; H295-F491 AromaticContact CE1-CG 3.83Å; D489-F491 PolarHBondContact OD1-N 3.31Å; F491-K495 HydrophobicContact CE1-CD 4.15Å; F491-K495 WeakPolarHBondContact O-CB 3.44Å; F491-K495 PolarHBondContact O-N 2.79Å; F491-E507 HydrophobicContact CZ-CB 4.14Å; F491-E507 HydrophobicContact CZ-CG 4.15Å; F491-L510 HydrophobicContact CD2-CB 3.74Å; F491-L510 HydrophobicContact CD2-CD1 4.39Å; F491-L510 HydrophobicContact CE1-CD1 4.39Å; F491-L510 HydrophobicContact CE2-CB 3.43Å; F491-L510 VanDerWaalsContact CE2-CB 3.43Å; F491-L510 HydrophobicContact CE2-CD1 4Å; F491-L510 HydrophobicContact CE2-CG 4.39Å; F491-L510 HydrophobicContact CZ-CB 4.23Å; F491-L510 HydrophobicContact CZ-CD1 4Å; F491-L511 HydrophobicContact CD2-CD2 4.12Å; F491-L511 HydrophobicContact CE2-CD2 3.83Å; F491-L511 HydrophobicContact CE2-CG 3.93Å
492	S	92.4	Very high	94.7	Very high	64 Å²	64	44.5 Å²	44.5	45%	0.448	23%	0.229	S	C	.	.	H	α-helix	trans	-68.4	-43.3	-176.1	-50.3	0	0	0	0	112.6	D489 K495 G496	D489-S492 VanDerWaalsContact CG-OG 3.27Å; D489-S492 WeakPolarHBondContact OD1-CB 3.43Å; D489-S492 PolarHBondContact OD1-N 3Å; D489-S492 PolarHBondContact OD1-OG 2.91Å; D489-S492 VanDerWaalsContact OD1-OG 3.11Å; D489-S492 WeakPolarHBondContact OD2-CB 3.47Å; D489-S492 PolarHBondContact OD2-OG 3.09Å; S492-K495 WeakPolarHBondContact O-CB 3.09Å; S492-K495 PolarHBondContact O-N 3.34Å; S492-G496 PolarHBondContact O-N 2.03Å
493	H	95.5	Very high	94.6	Very high	51 Å²	51	46.3 Å²	46.3	24%	0.236	24%	0.239	C	C	.	.	H	α-helix	trans	-68.9	-40	-179.2	-68	86.3	0	0	0	111.5	L486 D489 G496 M497	L486-H493 HydrophobicContact CB-CB 4.35Å; L486-H493 HydrophobicContact CD1-CB 3.65Å; D489-H493 PolarHBondContact O-ND1 2.82Å; H493-G496 PolarHBondContact O-N 2.97Å; H493-M497 VanDerWaalsContact O-CG 3.31Å; H493-M497 WeakPolarHBondContact O-CG 3.42Å; H493-M497 PolarHBondContact O-N 3.45Å
494	L	96.4	Very high	94.6	Very high	1 Å²	1	55 Å²	55	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-69.9	-35.7	176.3	-170	57.1	0	0	0	111.7	L363 A367 L486 L490 M497 V498 L510 V513	L363-L494 HydrophobicContact CB-CD1 3.96Å; L363-L494 HydrophobicContact CB-CD2 4.03Å; A367-L494 HydrophobicContact CB-CD1 4.21Å; A367-L494 HydrophobicContact CB-CD2 3.86Å; A367-L494 HydrophobicContact CB-CG 3.92Å; L486-L494 HydrophobicContact CD1-CB 4.36Å; L490-L494 HydrophobicContact CD1-CB 4.28Å; L490-L494 HydrophobicContact CD1-CD2 4.15Å; L490-L494 WeakPolarHBondContact O-CB 3.02Å; L490-L494 PolarHBondContact O-N 2.95Å; L494-M497 HydrophobicContact CD1-CE 4.45Å; L494-M497 HydrophobicContact CD1-SD 4.31Å; L494-M497 PolarHBondContact O-N 3.12Å; L494-V498 VanDerWaalsContact O-CG2 3.32Å; L494-V498 WeakPolarHBondContact O-CG2 3.49Å; L494-V498 PolarHBondContact O-N 3.48Å; L494-L510 HydrophobicContact CB-CD2 4.1Å; L494-L510 HydrophobicContact CD2-CD2 3.85Å; L494-L510 HydrophobicContact CG-CD2 3.72Å; L494-V513 HydrophobicContact CD2-CB 4.29Å; L494-V513 HydrophobicContact CD2-CG1 3.8Å; L494-V513 HydrophobicContact CD2-CG2 4.43Å
495	K	96.1	Very high	94.5	Very high	62 Å²	62	56 Å²	56	27%	0.27	28%	0.283	S	S	.	.	H	α-helix	trans	-56.7	-48.2	169.5	-178.3	163.3	177.5	175	0	111.2	F491 S492 M497 V498 Q499 V505 E507 L510	F491-K495 HydrophobicContact CE1-CD 4.15Å; F491-K495 WeakPolarHBondContact O-CB 3.44Å; F491-K495 PolarHBondContact O-N 2.79Å; S492-K495 WeakPolarHBondContact O-CB 3.09Å; S492-K495 PolarHBondContact O-N 3.34Å; K495-M497 PolarHBondContact O-N 2.98Å; K495-V498 PolarHBondContact O-N 2.74Å; K495-Q499 WeakPolarHBondContact O-CG 3.22Å; K495-Q499 PolarHBondContact O-N 3.32Å; K495-V505 HydrophobicContact CD-CG1 4.31Å; K495-V505 HydrophobicContact CG-CG1 4.03Å; K495-V505 HydrophobicContact CG-CG2 4.04Å; K495-E507 IonicContact NZ-OE1 3.41Å; K495-E507 PolarHBondContact NZ-OE1 2.96Å; K495-L510 HydrophobicContact CB-CD1 3.78Å; K495-L510 HydrophobicContact CD-CD1 4.37Å; K495-L510 HydrophobicContact CG-CD1 4.25Å
496	G	97	Very high	94.5	Very high	16 Å²	16	56.3 Å²	56.3	17%	0.165	29%	0.289	C	S	.	.	H	α-helix	trans	-59.6	-43.6	174.3	0	0	0	0	0	113.5	S492 H493 V498 Q499 F500	S492-G496 PolarHBondContact O-N 2.03Å; H493-G496 PolarHBondContact O-N 2.97Å; G496-V498 PolarHBondContact O-N 3.46Å; G496-Q499 PolarHBondContact O-N 2.03Å; G496-F500 WeakPolarHBondContact O-CB 3.13Å; G496-F500 PolarHBondContact O-N 3.1Å
497	M	97.6	Very high	94.4	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-61.9	-41	175.4	-69.8	167.5	65.2	0	0	112.6	I364 I418 V481 L486 H493 L494 K495 F500 L501	I364-M497 HydrophobicContact CD1-CE 3.63Å; I364-M497 HydrophobicContact CG1-CE 3.66Å; I418-M497 HydrophobicContact CD1-CB 4.22Å; I418-M497 HydrophobicContact CD1-CE 4.32Å; I418-M497 HydrophobicContact CD1-CG 4.34Å; I418-M497 HydrophobicContact CG2-CE 4.31Å; V481-M497 HydrophobicContact CG1-SD 4.16Å; V481-M497 HydrophobicContact CG2-CG 3.85Å; V481-M497 HydrophobicContact CG2-SD 4.1Å; L486-M497 HydrophobicContact CD1-SD 4.18Å; L486-M497 HydrophobicContact CD2-SD 4.21Å; H493-M497 VanDerWaalsContact O-CG 3.31Å; H493-M497 WeakPolarHBondContact O-CG 3.42Å; H493-M497 PolarHBondContact O-N 3.45Å; L494-M497 HydrophobicContact CD1-CE 4.45Å; L494-M497 HydrophobicContact CD1-SD 4.31Å; L494-M497 PolarHBondContact O-N 3.12Å; K495-M497 PolarHBondContact O-N 2.98Å; M497-F500 PolarHBondContact O-N 2.71Å; M497-L501 VanDerWaalsContact O-CG 3.27Å; M497-L501 WeakPolarHBondContact O-CG 3.06Å; M497-L501 PolarHBondContact O-N 2.63Å; M497-L501 VanDerWaalsContact O-N 3.11Å
498	V	97.3	Very high	94.3	Very high	5 Å²	5	55.9 Å²	55.9	3%	0.03	29%	0.292	C	S	.	.	H	α-helix	trans	-66.7	-41.2	177.1	172.6	0	0	0	0	111.4	A367 T368 L494 K495 G496 L501 L503 V505	A367-V498 HydrophobicContact CB-CG2 3.8Å; T368-V498 HydrophobicContact CG2-CG1 4.48Å; T368-V498 HydrophobicContact CG2-CG2 3.95Å; L494-V498 VanDerWaalsContact O-CG2 3.32Å; L494-V498 WeakPolarHBondContact O-CG2 3.49Å; L494-V498 PolarHBondContact O-N 3.48Å; K495-V498 PolarHBondContact O-N 2.74Å; G496-V498 PolarHBondContact O-N 3.46Å; V498-L501 PolarHBondContact O-N 3.42Å; V498-L503 HydrophobicContact CG1-CB 4Å; V498-L503 PolarHBondContact O-N 3.01Å; V498-V505 HydrophobicContact CB-CG2 4.39Å; V498-V505 HydrophobicContact CG1-CG2 4.06Å
499	Q	97.3	Very high	94.4	Very high	114 Å²	114	50 Å²	50	53%	0.533	27%	0.27	S	S	.	.	H	α-helix	trans	-63.1	-42.7	174.8	-70.9	171.3	-39	0	0	111.7	K495 G496 L501 G502 V505	K495-Q499 WeakPolarHBondContact O-CG 3.22Å; K495-Q499 PolarHBondContact O-N 3.32Å; G496-Q499 PolarHBondContact O-N 2.03Å; Q499-L501 VanDerWaalsContact C-N 3.26Å; Q499-L501 PolarHBondContact O-N 3.18Å; Q499-G502 PolarHBondContact O-N 3.16Å; Q499-V505 HydrophobicContact CG-CG2 3.55Å
500	F	97.3	Very high	94.6	Very high	47 Å²	47	47.3 Å²	47.3	21%	0.206	26%	0.256	C	S	.	.	H	α-helix	trans	-62.9	-31.3	176.1	-177.9	-101.2	0	0	0	113.1	V347 S417 I418 H479 G496 M497 G502	V347-F500 HydrophobicContact CG1-CE1 4.27Å; S417-F500 WeakPolarHBondContact O-CE1 3.42Å; S417-F500 WeakPolarHBondContact O-CZ 3.37Å; I418-F500 HydrophobicContact CD1-CD1 4.19Å; I418-F500 HydrophobicContact CG1-CD1 3.6Å; I418-F500 HydrophobicContact CG1-CE1 3.82Å; H479-F500 HydrophobicContact CB-CB 4.47Å; H479-F500 HydrophobicContact CB-CD1 3.79Å; H479-F500 HydrophobicContact CB-CD2 3.59Å; H479-F500 HydrophobicContact CB-CE1 3.78Å; H479-F500 HydrophobicContact CB-CE2 3.57Å; H479-F500 HydrophobicContact CB-CG 3.68Å; H479-F500 HydrophobicContact CB-CZ 3.64Å; H479-F500 AromaticContact CG-CG 3.95Å; G496-F500 WeakPolarHBondContact O-CB 3.13Å; G496-F500 PolarHBondContact O-N 3.1Å; M497-F500 PolarHBondContact O-N 2.71Å; F500-G502 PolarHBondContact O-N 3.29Å
501	L	96.3	Very high	94.5	Very high	18 Å²	18	47.2 Å²	47.2	9%	0.094	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	3.2	172.3	-67.1	167.4	0	0	0	113.5	V347 I364 T368 I399 I418 M497 V498 Q499 L503	V347-L501 HydrophobicContact CB-CD2 4.15Å; V347-L501 HydrophobicContact CG1-CD2 3.8Å; V347-L501 HydrophobicContact CG2-CD2 4.25Å; I364-L501 HydrophobicContact CG2-CD1 3.88Å; T368-L501 HydrophobicContact CG2-CD1 4.31Å; I399-L501 HydrophobicContact CD1-CB 4.32Å; I399-L501 HydrophobicContact CG1-CB 4.27Å; I399-L501 HydrophobicContact CG1-CD1 4.08Å; I399-L501 HydrophobicContact CG1-CD2 4.26Å; I399-L501 HydrophobicContact CG1-CG 4.43Å; I418-L501 HydrophobicContact CD1-CD1 4.36Å; I418-L501 HydrophobicContact CD1-CD2 4.23Å; I418-L501 HydrophobicContact CD1-CG 4.19Å; M497-L501 VanDerWaalsContact O-CG 3.27Å; M497-L501 WeakPolarHBondContact O-CG 3.06Å; M497-L501 PolarHBondContact O-N 2.63Å; M497-L501 VanDerWaalsContact O-N 3.11Å; V498-L501 PolarHBondContact O-N 3.42Å; Q499-L501 VanDerWaalsContact C-N 3.26Å; Q499-L501 PolarHBondContact O-N 3.18Å; L501-L503 VanDerWaalsContact C-N 3.31Å; L501-L503 PolarHBondContact O-N 2.95Å
502	G	94.7	Very high	94.6	Very high	69 Å²	69	45.8 Å²	45.8	71%	0.711	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.1	19.3	177.4	0	0	0	0	0	114.3	Q499 F500	Q499-G502 PolarHBondContact O-N 3.16Å; F500-G502 PolarHBondContact O-N 3.29Å
503	L	94.4	Very high	94.6	Very high	47 Å²	47	42.8 Å²	42.8	25%	0.246	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-103.6	147.6	-177.5	-65.5	178.8	0	0	0	112.1	T368 F370 I399 V498 L501 V505	T368-L503 HydrophobicContact CG2-CD1 3.62Å; F370-L503 HydrophobicContact CD2-CD1 3.89Å; F370-L503 HydrophobicContact CE2-CD1 4.22Å; F370-L503 HydrophobicContact CE2-CD2 4.23Å; I399-L503 HydrophobicContact CD1-CD1 3.73Å; I399-L503 HydrophobicContact CD1-CD2 4.46Å; I399-L503 HydrophobicContact CD1-CG 4.15Å; I399-L503 HydrophobicContact CG1-CD1 3.96Å; V498-L503 HydrophobicContact CG1-CB 4Å; V498-L503 PolarHBondContact O-N 3.01Å; L501-L503 VanDerWaalsContact C-N 3.31Å; L501-L503 PolarHBondContact O-N 2.95Å; L503-V505 PolarHBondContact O-N 3.07Å
504	K	94.4	Very high	94.2	Very high	205 Å²	205	42.3 Å²	42.3	89%	0.891	23%	0.226	S	C	*	.	P	Polyproline II helix	trans	-66.2	126.1	169.4	-175.5	179.4	178.5	-178.4	0	109.2
505	V	92.9	Very high	93.5	Very high	30 Å²	30	44.6 Å²	44.6	18%	0.182	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-67.2	135.8	175	178.7	0	0	0	0	110.2	K495 V498 Q499 L503 E507 L510	K495-V505 HydrophobicContact CD-CG1 4.31Å; K495-V505 HydrophobicContact CG-CG1 4.03Å; K495-V505 HydrophobicContact CG-CG2 4.04Å; V498-V505 HydrophobicContact CB-CG2 4.39Å; V498-V505 HydrophobicContact CG1-CG2 4.06Å; Q499-V505 HydrophobicContact CG-CG2 3.55Å; L503-V505 PolarHBondContact O-N 3.07Å; V505-E507 HydrophobicContact CG1-CG 4.23Å; V505-L510 HydrophobicContact CG1-CD1 3.58Å; V505-L510 HydrophobicContact CG1-CG 4.42Å
506	S	94.1	Very high	93	Very high	45 Å²	45	43.2 Å²	43.2	32%	0.315	24%	0.244	S	C	.	.			trans	-113.3	113.3	165.3	168.9	0	0	0	0	108.3	R509 L510	S506-R509 PolarHBondContact O-N 2.84Å; S506-R509 PolarHBondContact OG-N 2.65Å; S506-L510 PolarHBondContact O-N 3.32Å; S506-L510 VanDerWaalsContact O-N 3.11Å
507	E	91.6	Very high	92.4	Very high	72 Å²	72	46.3 Å²	46.3	34%	0.336	25%	0.253	S	S	.	.	H	α-helix	trans	-70.5	-36	-177.9	-60.2	-166.3	151.8	0	0	111.3	P290 F491 K495 V505 R509 L510 L511	P290-E507 HydrophobicContact CG-CB 4.07Å; F491-E507 HydrophobicContact CZ-CB 4.14Å; F491-E507 HydrophobicContact CZ-CG 4.15Å; K495-E507 IonicContact NZ-OE1 3.41Å; K495-E507 PolarHBondContact NZ-OE1 2.96Å; V505-E507 HydrophobicContact CG1-CG 4.23Å; E507-R509 VanDerWaalsContact C-N 3.3Å; E507-R509 PolarHBondContact O-N 3.22Å; E507-L510 PolarHBondContact O-N 2.86Å; E507-L510 VanDerWaalsContact O-N 3.11Å; E507-L511 WeakPolarHBondContact O-CG 3.13Å; E507-L511 PolarHBondContact O-N 3.06Å
508	D	90.2	Very high	91.4	Very high	72 Å²	72	49.6 Å²	49.6	39%	0.385	27%	0.27	S	S	.	.	H	α-helix	trans	-55	-41.8	170.2	-65.9	-62.9	0	0	0	113.3	P290 R332 C512	P290-D508 WeakPolarHBondContact CD-OD1 3.32Å; R332-D508 IonicContact NH1-OD1 3.59Å; R332-D508 PolarHBondContact NH1-OD1 2.95Å; D508-C512 WeakPolarHBondContact O-CB 3.11Å; D508-C512 PolarHBondContact O-N 3.03Å
509	R	93	Very high	90.3	Very high	36 Å²	36	51.1 Å²	51.1	14%	0.136	29%	0.287	C	S	.	.	H	α-helix	trans	-69.5	-41.3	175.6	-73.5	-168.4	75.6	106.5	-11.9	111.6	R332 C333 D335 L366 S506 E507 C512 V513	R332-R509 PolarHBondContact O-NH1 3.21Å; R332-R509 VanDerWaalsContact O-NH1 3.14Å; C333-R509 HydrophobicContact CB-CB 4.46Å; C333-R509 PolarHBondContact O-NH2 2.91Å; D335-R509 PolarHBondContact O-NH2 3.18Å; D335-R509 IonicContact OD2-CZ 3.28Å; D335-R509 IonicContact OD2-NH1 3.58Å; D335-R509 PolarHBondContact OD2-NH1 3.23Å; L366-R509 VanDerWaalsContact O-CZ 3.31Å; L366-R509 PolarHBondContact O-NE 2.81Å; L366-R509 PolarHBondContact O-NH2 2.8Å; S506-R509 PolarHBondContact O-N 2.84Å; S506-R509 PolarHBondContact OG-N 2.65Å; E507-R509 VanDerWaalsContact C-N 3.3Å; E507-R509 PolarHBondContact O-N 3.22Å; R509-C512 WeakPolarHBondContact O-CB 3.42Å; R509-C512 PolarHBondContact O-N 2.74Å; R509-V513 WeakPolarHBondContact O-CG2 3.23Å; R509-V513 PolarHBondContact O-N 2.97Å
510	L	93.4	Very high	89.1	Confident	4 Å²	4	51.8 Å²	51.8	2%	0.021	29%	0.294	C	S	.	.	H	α-helix	trans	-59.7	-46.2	176.4	-71	177.8	0	0	0	111.5	A367 F491 L494 K495 V505 S506 E507 C512 V513 E514	A367-L510 HydrophobicContact CB-CD2 3.83Å; F491-L510 HydrophobicContact CD2-CB 3.74Å; F491-L510 HydrophobicContact CD2-CD1 4.39Å; F491-L510 HydrophobicContact CE1-CD1 4.39Å; F491-L510 HydrophobicContact CE2-CB 3.43Å; F491-L510 VanDerWaalsContact CE2-CB 3.43Å; F491-L510 HydrophobicContact CE2-CD1 4Å; F491-L510 HydrophobicContact CE2-CG 4.39Å; F491-L510 HydrophobicContact CZ-CB 4.23Å; F491-L510 HydrophobicContact CZ-CD1 4Å; L494-L510 HydrophobicContact CB-CD2 4.1Å; L494-L510 HydrophobicContact CD2-CD2 3.85Å; L494-L510 HydrophobicContact CG-CD2 3.72Å; K495-L510 HydrophobicContact CB-CD1 3.78Å; K495-L510 HydrophobicContact CD-CD1 4.37Å; K495-L510 HydrophobicContact CG-CD1 4.25Å; V505-L510 HydrophobicContact CG1-CD1 3.58Å; V505-L510 HydrophobicContact CG1-CG 4.42Å; S506-L510 PolarHBondContact O-N 3.32Å; S506-L510 VanDerWaalsContact O-N 3.11Å; E507-L510 PolarHBondContact O-N 2.86Å; E507-L510 VanDerWaalsContact O-N 3.11Å; L510-C512 PolarHBondContact O-N 2.76Å; L510-V513 WeakPolarHBondContact O-CA 3.39Å; L510-V513 WeakPolarHBondContact O-CB 3.48Å; L510-V513 PolarHBondContact O-N 3.49Å; L510-E514 PolarHBondContact O-N 2.84Å
511	L	92.1	Very high	87.9	Confident	4 Å²	4	51.2 Å²	51.2	2%	0.021	29%	0.292	C	S	.	.	H	α-helix	trans	-61.4	-41	176.2	-69.5	174.6	0	0	0	112.4	P288 T289 P290 F491 E507 V513 E514	P288-L511 HydrophobicContact CB-CB 4.22Å; T289-L511 WeakPolarHBondContact O-CD1 3.35Å; P290-L511 HydrophobicContact CG-CD1 4.3Å; F491-L511 HydrophobicContact CD2-CD2 4.12Å; F491-L511 HydrophobicContact CE2-CD2 3.83Å; F491-L511 HydrophobicContact CE2-CG 3.93Å; E507-L511 WeakPolarHBondContact O-CG 3.13Å; E507-L511 PolarHBondContact O-N 3.06Å; L511-V513 VanDerWaalsContact C-N 3.33Å; L511-V513 PolarHBondContact O-N 3.1Å; L511-E514 PolarHBondContact O-N 2.66Å
512	C	91.9	Very high	86.7	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-60.7	-39.9	170.4	172.9	0	0	0	0	112.4	D330 R332 C333 D508 R509 L510 E514 G515 Q516	D330-C512 PolarHBondContact OD1-SG 3.19Å; D330-C512 WeakPolarHBondContact OD2-CB 3.03Å; R332-C512 HydrophobicContact CB-CB 4.19Å; C333-C512 HydrophobicContact CB-CB 3.65Å; C333-C512 WeakPolarHBondContact CB-SG 3.42Å; C333-C512 PolarHBondContact N-SG 3.46Å; C333-C512 WeakPolarHBondContact SG-CB 3.45Å; C333-C512 CovalentContact SG-SG 2.05Å; C333-C512 PolarHBondContact SG-SG 3.04Å; D508-C512 WeakPolarHBondContact O-CB 3.11Å; D508-C512 PolarHBondContact O-N 3.03Å; R509-C512 WeakPolarHBondContact O-CB 3.42Å; R509-C512 PolarHBondContact O-N 2.74Å; L510-C512 PolarHBondContact O-N 2.76Å; C512-E514 PolarHBondContact O-N 3Å; C512-G515 PolarHBondContact O-N 3.43Å; C512-Q516 PolarHBondContact O-N 2.88Å
513	V	93	Very high	85.5	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-59.8	-35.9	178.1	-176.3	0	0	0	0	111.2	C333 L363 L366 A367 L494 R509 L510 L511 G515 Q516 K517	C333-V513 HydrophobicContact CB-CG2 4.32Å; L363-V513 HydrophobicContact CD2-CG1 3.45Å; L363-V513 VanDerWaalsContact CD2-CG1 3.45Å; L366-V513 HydrophobicContact CB-CB 4.35Å; L366-V513 HydrophobicContact CB-CG1 4.15Å; L366-V513 HydrophobicContact CB-CG2 3.51Å; L366-V513 HydrophobicContact CD1-CG1 4.14Å; A367-V513 HydrophobicContact CB-CG2 4.12Å; L494-V513 HydrophobicContact CD2-CB 4.29Å; L494-V513 HydrophobicContact CD2-CG1 3.8Å; L494-V513 HydrophobicContact CD2-CG2 4.43Å; R509-V513 WeakPolarHBondContact O-CG2 3.23Å; R509-V513 PolarHBondContact O-N 2.97Å; L510-V513 WeakPolarHBondContact O-CA 3.39Å; L510-V513 WeakPolarHBondContact O-CB 3.48Å; L510-V513 PolarHBondContact O-N 3.49Å; L511-V513 VanDerWaalsContact C-N 3.33Å; L511-V513 PolarHBondContact O-N 3.1Å; V513-G515 VanDerWaalsContact C-N 3.32Å; V513-G515 PolarHBondContact O-N 2.64Å; V513-Q516 CarbonylContact O-C 3.49Å; V513-Q516 PolarHBondContact O-N 2.84Å; V513-K517 VanDerWaalsContact O-CA 3.27Å; V513-K517 WeakPolarHBondContact O-CA 3.37Å; V513-K517 WeakPolarHBondContact O-CB 3.17Å; V513-K517 PolarHBondContact O-N 3.45Å
514	E	87.4	Confident	83.7	Confident	42 Å²	42	56.8 Å²	56.8	20%	0.196	30%	0.3	C	S	.	.	H	α-helix	trans	-65.7	-33.5	-178.9	-61.3	-165.3	96.4	0	0	113.7	H295 L490 L510 L511 C512 K517	H295-E514 IonicContact CD2-OE2 3.03Å; H295-E514 IonicContact CE1-OE2 2.66Å; H295-E514 IonicContact NE2-OE1 3.89Å; H295-E514 IonicContact NE2-OE2 2.63Å; H295-E514 PolarHBondContact NE2-OE2 3.08Å; L490-E514 HydrophobicContact CD2-CG 4.11Å; L490-E514 HydrophobicContact CG-CG 4.45Å; L510-E514 PolarHBondContact O-N 2.84Å; L511-E514 PolarHBondContact O-N 2.66Å; C512-E514 PolarHBondContact O-N 3Å; E514-K517 VanDerWaalsContact O-CD 3.29Å; E514-K517 WeakPolarHBondContact O-CD 3.31Å; E514-K517 WeakPolarHBondContact O-CE 3.31Å; E514-K517 WeakPolarHBondContact O-CG 3.27Å
515	G	81.7	Confident	81.7	Confident	48 Å²	48	49.8 Å²	49.8	50%	0.495	29%	0.286	S	S	.	.	H	α-helix	trans	-70.8	-33.9	169.8	0	0	0	0	0	112.9	C512 V513	C512-G515 PolarHBondContact O-N 3.43Å; V513-G515 VanDerWaalsContact C-N 3.32Å; V513-G515 PolarHBondContact O-N 2.64Å
516	Q	84.8	Confident	79.3	Confident	33 Å²	33	52.5 Å²	52.5	15%	0.154	30%	0.299	C	S	.	.	H	α-helix	trans	-99	8.9	-175.3	-60.9	-67	2.6	0	0	114.5	D330 M334 H362 L366 C512 V513 D518	D330-Q516 PolarHBondContact O-NE2 2.95Å; M334-Q516 HydrophobicContact SD-CG 4.3Å; H362-Q516 PolarHBondContact NE2-O 3.35Å; L366-Q516 HydrophobicContact CD1-CB 3.77Å; C512-Q516 PolarHBondContact O-N 2.88Å; V513-Q516 CarbonylContact O-C 3.49Å; V513-Q516 PolarHBondContact O-N 2.84Å; Q516-D518 PolarHBondContact O-N 2.83Å
517	K	84.8	Confident	77.3	Confident	81 Å²	81	58.8 Å²	58.8	35%	0.352	32%	0.316	S	S	.	.			trans	-63.8	-32	-163.4	63.1	-171	168.2	-166.9	0	115.7	W359 L363 L490 V513 E514	W359-K517 PolarHBondContact NE1-O 3.06Å; L363-K517 HydrophobicContact CD2-CB 4.04Å; L490-K517 HydrophobicContact CD2-CB 3.67Å; L490-K517 HydrophobicContact CD2-CD 3.6Å; L490-K517 HydrophobicContact CD2-CG 4.3Å; V513-K517 VanDerWaalsContact O-CA 3.27Å; V513-K517 WeakPolarHBondContact O-CA 3.37Å; V513-K517 WeakPolarHBondContact O-CB 3.17Å; V513-K517 PolarHBondContact O-N 3.45Å; E514-K517 VanDerWaalsContact O-CD 3.29Å; E514-K517 WeakPolarHBondContact O-CD 3.31Å; E514-K517 WeakPolarHBondContact O-CE 3.31Å; E514-K517 WeakPolarHBondContact O-CG 3.27Å
518	D	76.5	Confident	75.8	Confident	70 Å²	70	63.8 Å²	63.8	37%	0.374	34%	0.336	S	S	.	.	S	Bend	trans	-77.2	-37.3	-172.5	-81.7	-21.5	0	0	0	113.3	Q516 K522	Q516-D518 PolarHBondContact O-N 2.83Å; D518-K522 HydrophobicContact CB-CD 3.96Å; D518-K522 WeakPolarHBondContact OD1-CD 3.08Å; D518-K522 IonicContact OD1-NZ 3.23Å; D518-K522 PolarHBondContact OD1-NZ 2.01Å; D518-K522 IonicContact OD2-NZ 2.64Å; D518-K522 PolarHBondContact OD2-NZ 3.21Å
519	G	74.8	Confident	74.8	Confident	36 Å²	36	62.1 Å²	62.1	37%	0.371	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	51.6	-160.3	-178.1	0	0	0	0	0	114.8	F521	G519-F521 VanDerWaalsContact C-N 3.28Å; G519-F521 PolarHBondContact O-N 2.79Å
520	N	72.1	Confident	73.9	Confident	128 Å²	128	69.1 Å²	69.1	68%	0.684	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-93.7	32.2	179.5	-72.9	-38	0	0	0	113.1	K384	K384-N520 PolarHBondContact NZ-O 3.48Å
521	F	71.1	Confident	73.4	Confident	36 Å²	36	72.7 Å²	72.7	16%	0.158	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-130.2	-13.1	-165.2	-49.4	-66.8	0	0	0	114.5	T358 H362 L381 K384 F386 G519	T358-F521 HydrophobicContact CG2-CB 4.03Å; T358-F521 HydrophobicContact CG2-CD1 3.44Å; T358-F521 VanDerWaalsContact CG2-CD1 3.44Å; T358-F521 HydrophobicContact CG2-CD2 4.41Å; T358-F521 HydrophobicContact CG2-CE1 3.98Å; T358-F521 HydrophobicContact CG2-CG 3.69Å; H362-F521 HydrophobicContact CB-CD2 4.27Å; H362-F521 HydrophobicContact CB-CE2 4.32Å; H362-F521 AromaticContact ND1-CE2 3.71Å; L381-F521 HydrophobicContact CD2-CD1 4.47Å; L381-F521 HydrophobicContact CD2-CE1 4.28Å; K384-F521 HydrophobicContact CB-CE1 3.78Å; K384-F521 HydrophobicContact CB-CZ 4.02Å; K384-F521 HydrophobicContact CD-CD1 4.14Å; K384-F521 HydrophobicContact CD-CE1 3.52Å; K384-F521 HydrophobicContact CD-CZ 4.4Å; K384-F521 HydrophobicContact CG-CE1 4.3Å; F386-F521 HydrophobicContact CD2-CE1 4.31Å; F386-F521 HydrophobicContact CD2-CZ 4.22Å; F386-F521 HydrophobicContact CE2-CD1 4.27Å; F386-F521 AromaticContact CE2-CE1 3.55Å; F386-F521 HydrophobicContact CE2-CE1 3.55Å; F386-F521 AromaticContact CE2-CE2 3.98Å; F386-F521 HydrophobicContact CE2-CE2 3.98Å; F386-F521 AromaticContact CE2-CZ 3.4Å; F386-F521 HydrophobicContact CE2-CZ 3.4Å; F386-F521 HydrophobicContact CZ-CE1 4.47Å; F386-F521 HydrophobicContact CZ-CE2 4.18Å; F386-F521 HydrophobicContact CZ-CZ 4.06Å; G519-F521 VanDerWaalsContact C-N 3.28Å; G519-F521 PolarHBondContact O-N 2.79Å
522	K	71.4	Confident	73.1	Confident	128 Å²	128	76.4 Å²	76.4	56%	0.557	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-74.5	143.3	172.5	-170.6	166.6	175.7	177.7	0	110.4	D518	D518-K522 HydrophobicContact CB-CD 3.96Å; D518-K522 WeakPolarHBondContact OD1-CD 3.08Å; D518-K522 IonicContact OD1-NZ 3.23Å; D518-K522 PolarHBondContact OD1-NZ 2.01Å; D518-K522 IonicContact OD2-NZ 2.64Å; D518-K522 PolarHBondContact OD2-NZ 3.21Å
523	R	69.8	Low	73.1	Confident	57 Å²	57	77 Å²	77	22%	0.215	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-86.2	146.8	167.8	-48.7	-156	-175	106.6	4.1	108.9	A430 H439 G441 F442 G525	A430-R523 VanDerWaalsContact O-CZ 3.26Å; A430-R523 PolarHBondContact O-NH1 2.78Å; A430-R523 PolarHBondContact O-NH2 3.03Å; H439-R523 PolarHBondContact O-NE 2.87Å; H439-R523 PolarHBondContact O-NH2 3.23Å; G441-R523 VanDerWaalsContact O-CD 3.31Å; G441-R523 WeakPolarHBondContact O-CD 3.25Å; F442-R523 HydrophobicContact CE2-CB 4.13Å; F442-R523 HydrophobicContact CZ-CB 3.78Å; R523-G525 PolarHBondContact O-N 2.85Å
524	S	57.2	Low	73.1	Confident	66 Å²	66	77.6 Å²	77.6	46%	0.462	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-57.4	124.4	175.4	50.1	0	0	0	0	110.5	F442 L526	F442-S524 VanDerWaalsContact CZ-O 3.3Å; F442-S524 WeakPolarHBondContact CZ-O 3.48Å; S524-L526 PolarHBondContact O-N 3.14Å
525	G	52.8	Low	73.4	Confident	57 Å²	57	78.4 Å²	78.4	59%	0.588	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-4.6	-178.6	0	0	0	0	0	114.7	R523	R523-G525 PolarHBondContact O-N 2.85Å
526	L	41.4	Very low	74.1	Confident	87 Å²	87	81.1 Å²	81.1	46%	0.455	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-22.1	-170.4	-60.4	161.1	0	0	0	113.6	D164 S524	D164-L526 WeakPolarHBondContact OD1-CD1 3.32Å; D164-L526 VanDerWaalsContact OD1-CD2 3.29Å; D164-L526 WeakPolarHBondContact OD1-CD2 2.78Å; D164-L526 WeakPolarHBondContact OD2-CD1 3.23Å; S524-L526 PolarHBondContact O-N 3.14Å
527	R	52.5	Low	74.6	Confident	177 Å²	177	85.9 Å²	85.9	67%	0.668	45%	0.445	S	S	*	.			trans	-99.9	74	171.2	-80.3	-171.5	167.2	-159.3	-5.2	110.8	F442	F442-R527 HydrophobicContact CD1-CB 3.92Å; F442-R527 HydrophobicContact CD2-CB 4.01Å; F442-R527 HydrophobicContact CE1-CB 3.8Å; F442-R527 WeakPolarHBondContact CE1-O 3.07Å; F442-R527 HydrophobicContact CE2-CB 3.89Å; F442-R527 HydrophobicContact CG-CB 4.03Å; F442-R527 HydrophobicContact CZ-CB 3.79Å
528	K	59.5	Low	75.1	Confident	178 Å²	178	83 Å²	83	77%	0.774	43%	0.433	S	S	*	.			trans	-82.6	150.7	160.8	-66.8	173.4	-172	170.6	0	108.6
529	L	69.6	Low	76	Confident	37 Å²	37	83.6 Å²	83.6	19%	0.194	43%	0.43	C	S	.	.			trans	-70.1	134.4	164.9	-76.4	148.8	0	0	0	108	M429 W448 Y531 P533	M429-L529 HydrophobicContact CE-CD1 3.65Å; W448-L529 HydrophobicContact CB-CD2 4.23Å; W448-L529 HydrophobicContact CD2-CD1 3.76Å; W448-L529 HydrophobicContact CD2-CD2 4.11Å; W448-L529 HydrophobicContact CD2-CG 4.5Å; W448-L529 HydrophobicContact CE3-CD1 3.82Å; W448-L529 HydrophobicContact CG-CD1 4.39Å; W448-L529 HydrophobicContact CG-CD2 3.85Å; W448-L529 HydrophobicContact CH2-CD1 3.91Å; W448-L529 HydrophobicContact CZ2-CD1 3.84Å; W448-L529 HydrophobicContact CZ3-CD1 3.89Å; L529-Y531 WeakPolarHBondContact CB-O 3.35Å; L529-Y531 HydrophobicContact CD2-CD1 4.29Å; L529-Y531 HydrophobicContact CD2-CE1 3.7Å; L529-Y531 PolarHBondContact O-N 2.9Å; L529-P533 HydrophobicContact CD1-CB 4.39Å; L529-P533 HydrophobicContact CD1-CG 4.06Å
530	E	73.3	Confident	77	Confident	183 Å²	183	84.9 Å²	84.9	86%	0.855	44%	0.437	S	S	*	.	S	Bend	trans	-69.4	-11.5	175.4	-66.6	155.2	-169.2	0	0	112.6
531	Y	82.9	Confident	78.1	Confident	78 Å²	78	81.6 Å²	81.6	31%	0.306	42%	0.419	S	S	.	.	S	Bend	trans	-134.2	156	-178.6	72.8	-81.5	0	0	0	111.1	W448 K449 L529 P533	W448-Y531 WeakPolarHBondContact CB-OH 3.38Å; W448-Y531 PolarHBondContact O-OH 2.03Å; K449-Y531 WeakPolarHBondContact CG-OH 3.46Å; L529-Y531 WeakPolarHBondContact CB-O 3.35Å; L529-Y531 HydrophobicContact CD2-CD1 4.29Å; L529-Y531 HydrophobicContact CD2-CE1 3.7Å; L529-Y531 PolarHBondContact O-N 2.9Å; Y531-P533 HydrophobicContact CE2-CB 4.26Å; Y531-P533 WeakPolarHBondContact O-CD 3.01Å
532	D	87.1	Confident	79.3	Confident	82 Å²	82	79.9 Å²	79.9	44%	0.439	41%	0.412	S	S	.	.			trans	-73.2	117.1	171.1	179.7	19.2	0	0	0	110.4	Y534 R539	D532-Y534 VanDerWaalsContact C-N 3.26Å; D532-Y534 PolarHBondContact O-N 2.81Å; D532-Y534 WeakPolarHBondContact OD1-CD2 3.37Å; D532-Y534 PolarHBondContact OD1-N 3.23Å; D532-Y534 VanDerWaalsContact OD1-N 3.14Å; D532-R539 IonicContact OD1-CZ 3.16Å; D532-R539 IonicContact OD1-NH2 3.55Å; D532-R539 PolarHBondContact OD1-NH2 3.21Å; D532-R539 IonicContact OD2-CZ 2.96Å; D532-R539 VanDerWaalsContact OD2-CZ 3.28Å; D532-R539 IonicContact OD2-NE 3.82Å; D532-R539 PolarHBondContact OD2-NE 3.11Å; D532-R539 IonicContact OD2-NH2 2.73Å; D532-R539 PolarHBondContact OD2-NH2 3.38Å
533	P	90.9	Very high	80.5	Confident	13 Å²	13	74.9 Å²	74.9	8%	0.084	39%	0.391	C	S	.	.			trans	-79.9	-5.8	-179.2	36.5	-38.9	0	0	0	113	M429 W448 W453 L529 Y531	M429-P533 HydrophobicContact CE-CG 4.07Å; M429-P533 HydrophobicContact SD-CG 4.44Å; W448-P533 HydrophobicContact CE3-CB 3.99Å; W448-P533 HydrophobicContact CE3-CG 4.39Å; W448-P533 HydrophobicContact CZ3-CB 4.2Å; W448-P533 HydrophobicContact CZ3-CG 4.13Å; W453-P533 HydrophobicContact CZ2-CB 4.19Å; W453-P533 HydrophobicContact CZ2-CG 3.93Å; W453-P533 PolarHBondContact NE1-O 2.91Å; L529-P533 HydrophobicContact CD1-CB 4.39Å; L529-P533 HydrophobicContact CD1-CG 4.06Å; Y531-P533 HydrophobicContact CE2-CB 4.26Å; Y531-P533 WeakPolarHBondContact O-CD 3.01Å
534	Y	93.8	Very high	81.8	Confident	13 Å²	13	78.4 Å²	78.4	5%	0.051	41%	0.41	C	S	.	.			trans	-89.2	124.6	-177.2	-67.6	-81.7	0	0	0	112.2	Y425 L428 M429 W453 V457 D532 M538 I542	Y425-Y534 VanDerWaalsContact CA-OH 3.31Å; Y425-Y534 WeakPolarHBondContact CA-OH 3.32Å; Y425-Y534 AromaticContact CD1-CD1 3.91Å; Y425-Y534 HydrophobicContact CD1-CD1 3.91Å; Y425-Y534 AromaticContact CD1-CD2 3.79Å; Y425-Y534 HydrophobicContact CD1-CD2 3.79Å; Y425-Y534 AromaticContact CD1-CE1 3.78Å; Y425-Y534 HydrophobicContact CD1-CE1 3.78Å; Y425-Y534 AromaticContact CD1-CE2 3.65Å; Y425-Y534 HydrophobicContact CD1-CE2 3.65Å; Y425-Y534 AromaticContact CD1-CG 3.92Å; Y425-Y534 HydrophobicContact CD1-CG 3.92Å; Y425-Y534 AromaticContact CD1-CZ 3.63Å; Y425-Y534 HydrophobicContact CE1-CD1 4.07Å; Y425-Y534 HydrophobicContact CE1-CD2 4.39Å; Y425-Y534 HydrophobicContact CE1-CE1 4.31Å; Y425-Y534 HydrophobicContact CE1-CG 4.11Å; Y425-Y534 HydrophobicContact CG-CE2 4.4Å; Y425-Y534 PolarHBondContact O-OH 2.78Å; L428-Y534 WeakPolarHBondContact CB-OH 3.17Å; L428-Y534 HydrophobicContact CD1-CE1 4.43Å; M429-Y534 HydrophobicContact CG-CE2 3.89Å; M429-Y534 WeakPolarHBondContact CG-OH 3.42Å; M429-Y534 HydrophobicContact SD-CE2 3.81Å; W453-Y534 AromaticContact CH2-CE1 3.91Å; W453-Y534 HydrophobicContact CH2-CE1 3.91Å; W453-Y534 HydrophobicContact CH2-CE2 4.35Å; W453-Y534 AromaticContact CH2-CZ 3.64Å; W453-Y534 WeakPolarHBondContact CH2-OH 3.42Å; W453-Y534 AromaticContact CZ2-CD1 3.95Å; W453-Y534 HydrophobicContact CZ2-CD1 3.95Å; W453-Y534 HydrophobicContact CZ2-CD2 4.37Å; W453-Y534 AromaticContact CZ2-CE1 3.43Å; W453-Y534 HydrophobicContact CZ2-CE1 3.43Å; W453-Y534 VanDerWaalsContact CZ2-CE1 3.43Å; W453-Y534 AromaticContact CZ2-CE2 3.9Å; W453-Y534 HydrophobicContact CZ2-CE2 3.9Å; W453-Y534 HydrophobicContact CZ2-CG 4.39Å; W453-Y534 AromaticContact CZ2-CZ 3.41Å; W453-Y534 VanDerWaalsContact CZ2-CZ 3.41Å; V457-Y534 HydrophobicContact CG1-CE1 4.48Å; V457-Y534 HydrophobicContact CG2-CE1 4.06Å; D532-Y534 VanDerWaalsContact C-N 3.26Å; D532-Y534 PolarHBondContact O-N 2.81Å; D532-Y534 WeakPolarHBondContact OD1-CD2 3.37Å; D532-Y534 PolarHBondContact OD1-N 3.23Å; D532-Y534 VanDerWaalsContact OD1-N 3.14Å; Y534-M538 HydrophobicContact CD1-CB 4.18Å; Y534-M538 HydrophobicContact CD1-SD 4.38Å; Y534-I542 HydrophobicContact CD1-CD1 3.72Å; Y534-I542 HydrophobicContact CE1-CD1 3.48Å; Y534-I542 VanDerWaalsContact CE1-CD1 3.48Å
535	T	94.4	Very high	83.7	Confident	58 Å²	58	76.6 Å²	76.6	36%	0.356	40%	0.395	S	S	.	.			trans	-76.2	158.6	169.5	67.2	0	0	0	0	110.9	D537 M538 R539	T535-D537 VanDerWaalsContact C-N 3.26Å; T535-D537 PolarHBondContact O-N 3.23Å; T535-M538 HydrophobicContact CG2-CE 3.93Å; T535-M538 WeakPolarHBondContact O-CB 3.39Å; T535-M538 PolarHBondContact O-N 3.11Å; T535-M538 WeakPolarHBondContact OG1-CG 3.5Å; T535-M538 PolarHBondContact OG1-N 3.42Å; T535-R539 WeakPolarHBondContact O-CG 3.13Å; T535-R539 PolarHBondContact O-N 3.23Å
536	P	94.8	Very high	85.9	Confident	105 Å²	105	73.9 Å²	73.9	68%	0.682	37%	0.367	S	S	*	.	H	α-helix	trans	-51.6	-42	176.3	-29.4	36.9	0	0	0	113.7	M538 R539 A540	P536-M538 VanDerWaalsContact C-N 3.34Å; P536-M538 PolarHBondContact O-N 3.12Å; P536-R539 WeakPolarHBondContact O-CB 3.46Å; P536-R539 PolarHBondContact O-N 3.1Å; P536-R539 VanDerWaalsContact O-N 3.13Å; P536-A540 PolarHBondContact O-N 2.98Å
537	D	95.1	Very high	88.5	Confident	133 Å²	133	77 Å²	77	71%	0.711	37%	0.373	S	S	*	.	H	α-helix	trans	-63.4	-37	177.5	-51	-33.7	0	0	0	112.9	T535 R539 N541	T535-D537 VanDerWaalsContact C-N 3.26Å; T535-D537 PolarHBondContact O-N 3.23Å; D537-R539 VanDerWaalsContact C-N 3.35Å; D537-N541 WeakPolarHBondContact O-CB 3.41Å; D537-N541 PolarHBondContact O-N 2.58Å
538	M	96	Very high	90.6	Very high	21 Å²	21	71.6 Å²	71.6	10%	0.103	36%	0.359	C	S	.	.	H	α-helix	trans	-67.1	-40.1	174.4	-68	177.2	-155.4	0	0	110.9	P454 V457 Y534 T535 P536 I542	P454-M538 HydrophobicContact CB-CE 3.6Å; P454-M538 HydrophobicContact CG-CE 3.77Å; V457-M538 HydrophobicContact CB-CG 4.48Å; V457-M538 HydrophobicContact CB-SD 4.08Å; V457-M538 HydrophobicContact CG1-CB 4.07Å; V457-M538 HydrophobicContact CG1-CG 3.92Å; V457-M538 HydrophobicContact CG1-SD 4.04Å; V457-M538 HydrophobicContact CG2-SD 4.09Å; Y534-M538 HydrophobicContact CD1-CB 4.18Å; Y534-M538 HydrophobicContact CD1-SD 4.38Å; T535-M538 HydrophobicContact CG2-CE 3.93Å; T535-M538 WeakPolarHBondContact O-CB 3.39Å; T535-M538 PolarHBondContact O-N 3.11Å; T535-M538 WeakPolarHBondContact OG1-CG 3.5Å; T535-M538 PolarHBondContact OG1-N 3.42Å; P536-M538 VanDerWaalsContact C-N 3.34Å; P536-M538 PolarHBondContact O-N 3.12Å; M538-I542 WeakPolarHBondContact O-CB 3.34Å; M538-I542 WeakPolarHBondContact O-CD1 3.24Å; M538-I542 WeakPolarHBondContact O-CG1 3.42Å; M538-I542 PolarHBondContact O-N 3.48Å
539	R	95.4	Very high	92.4	Very high	83 Å²	83	63.1 Å²	63.1	31%	0.313	32%	0.322	S	S	.	.	H	α-helix	trans	-62.2	-54.6	178.1	-65.7	-174.4	159.2	-71.3	-0.5	110.6	Y425 D532 T535 P536 D537 N541 I542 D543	Y425-R539 HydrophobicContact CE1-CG 4.07Å; Y425-R539 VanDerWaalsContact OH-CA 3.28Å; Y425-R539 WeakPolarHBondContact OH-CA 3.28Å; Y425-R539 WeakPolarHBondContact OH-CB 3.42Å; Y425-R539 PolarHBondContact OH-O 2.86Å; D532-R539 IonicContact OD1-CZ 3.16Å; D532-R539 IonicContact OD1-NH2 3.55Å; D532-R539 PolarHBondContact OD1-NH2 3.21Å; D532-R539 IonicContact OD2-CZ 2.96Å; D532-R539 VanDerWaalsContact OD2-CZ 3.28Å; D532-R539 IonicContact OD2-NE 3.82Å; D532-R539 PolarHBondContact OD2-NE 3.11Å; D532-R539 IonicContact OD2-NH2 2.73Å; D532-R539 PolarHBondContact OD2-NH2 3.38Å; T535-R539 WeakPolarHBondContact O-CG 3.13Å; T535-R539 PolarHBondContact O-N 3.23Å; P536-R539 WeakPolarHBondContact O-CB 3.46Å; P536-R539 PolarHBondContact O-N 3.1Å; P536-R539 VanDerWaalsContact O-N 3.13Å; D537-R539 VanDerWaalsContact C-N 3.35Å; R539-N541 VanDerWaalsContact C-N 3.28Å; R539-N541 PolarHBondContact O-N 3.02Å; R539-I542 PolarHBondContact O-N 2.89Å; R539-D543 VanDerWaalsContact O-CB 3.31Å; R539-D543 WeakPolarHBondContact O-CB 3.37Å; R539-D543 PolarHBondContact O-N 2.86Å
540	A	95.2	Very high	93.8	Very high	63 Å²	63	61.9 Å²	61.9	52%	0.521	32%	0.316	S	S	.	.	H	α-helix	trans	-51.6	-44.4	178.4	0	0	0	0	0	113.3	P536 E544	P536-A540 PolarHBondContact O-N 2.98Å; A540-E544 PolarHBondContact O-N 2.89Å; A540-E544 VanDerWaalsContact O-N 3.08Å
541	N	96.3	Very high	94.9	Very high	58 Å²	58	55.9 Å²	55.9	31%	0.31	29%	0.294	S	S	.	.	H	α-helix	trans	-65.4	-48.7	175.6	-178.5	-0.8	0	0	0	112.4	D537 R539 D543 E544 L545	D537-N541 WeakPolarHBondContact O-CB 3.41Å; D537-N541 PolarHBondContact O-N 2.58Å; R539-N541 VanDerWaalsContact C-N 3.28Å; R539-N541 PolarHBondContact O-N 3.02Å; N541-D543 VanDerWaalsContact C-N 3.26Å; N541-D543 PolarHBondContact O-N 3.23Å; N541-E544 PolarHBondContact O-N 3.44Å; N541-L545 VanDerWaalsContact O-CG 3.26Å; N541-L545 WeakPolarHBondContact O-CG 3.47Å; N541-L545 PolarHBondContact O-N 2.81Å; N541-L545 VanDerWaalsContact O-N 3.14Å; N541-L545 WeakPolarHBondContact OD1-CD1 3.45Å
542	I	97.1	Very high	95.6	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-61.1	-38.4	177.8	-68.2	164.9	0	0	0	111	P424 Y425 L428 V457 A461 Y534 M538 R539 L545 I546	P424-I542 HydrophobicContact CB-CG2 3.99Å; P424-I542 HydrophobicContact CG-CG2 3.65Å; Y425-I542 HydrophobicContact CD1-CD1 3.92Å; Y425-I542 HydrophobicContact CD1-CG2 4.24Å; Y425-I542 HydrophobicContact CD2-CG2 4.03Å; Y425-I542 HydrophobicContact CE1-CB 4.06Å; Y425-I542 HydrophobicContact CE1-CD1 3.64Å; Y425-I542 HydrophobicContact CE1-CG1 4.47Å; Y425-I542 HydrophobicContact CE1-CG2 3.84Å; Y425-I542 HydrophobicContact CE2-CB 4.45Å; Y425-I542 HydrophobicContact CE2-CG2 3.6Å; Y425-I542 HydrophobicContact CG-CG2 4.34Å; L428-I542 HydrophobicContact CD1-CD1 3.86Å; L428-I542 HydrophobicContact CD1-CG1 4.3Å; V457-I542 HydrophobicContact CG1-CD1 3.95Å; A461-I542 HydrophobicContact CB-CG1 3.84Å; Y534-I542 HydrophobicContact CD1-CD1 3.72Å; Y534-I542 HydrophobicContact CE1-CD1 3.48Å; Y534-I542 VanDerWaalsContact CE1-CD1 3.48Å; M538-I542 WeakPolarHBondContact O-CB 3.34Å; M538-I542 WeakPolarHBondContact O-CD1 3.24Å; M538-I542 WeakPolarHBondContact O-CG1 3.42Å; M538-I542 PolarHBondContact O-N 3.48Å; R539-I542 PolarHBondContact O-N 2.89Å; I542-L545 WeakPolarHBondContact O-CB 3.31Å; I542-L545 PolarHBondContact O-N 2.82Å; I542-I546 HydrophobicContact CG2-CD1 3.8Å; I542-I546 HydrophobicContact CG2-CG1 4.41Å; I542-I546 WeakPolarHBondContact O-CD1 3.44Å; I542-I546 VanDerWaalsContact O-CG1 3.25Å; I542-I546 WeakPolarHBondContact O-CG1 3.3Å; I542-I546 PolarHBondContact O-N 2.79Å
543	D	96.2	Very high	96.1	Very high	23 Å²	23	49.3 Å²	49.3	12%	0.123	27%	0.268	C	S	.	.	H	α-helix	trans	-68.3	-39.1	-179.2	-65.6	-22.3	0	0	0	112.6	Y425 R539 N541 I546 R547 P567	Y425-D543 VanDerWaalsContact OH-CG 3.23Å; Y425-D543 PolarHBondContact OH-OD1 3.31Å; Y425-D543 PolarHBondContact OH-OD2 2.86Å; R539-D543 VanDerWaalsContact O-CB 3.31Å; R539-D543 WeakPolarHBondContact O-CB 3.37Å; R539-D543 PolarHBondContact O-N 2.86Å; N541-D543 VanDerWaalsContact C-N 3.26Å; N541-D543 PolarHBondContact O-N 3.23Å; D543-I546 PolarHBondContact O-N 2.68Å; D543-R547 WeakPolarHBondContact O-CG 3.44Å; D543-R547 PolarHBondContact O-N 3.01Å; D543-P567 HydrophobicContact CB-CB 4.49Å; D543-P567 HydrophobicContact CB-CG 3.64Å; D543-P567 VanDerWaalsContact CG-CG 3.43Å
544	E	96.6	Very high	96.3	Very high	130 Å²	130	53.7 Å²	53.7	61%	0.607	29%	0.285	S	S	*	.	H	α-helix	trans	-62.8	-42.1	171.2	-175.3	178	-173.4	0	0	111.6	A540 N541 R547 T548	A540-E544 PolarHBondContact O-N 2.89Å; A540-E544 VanDerWaalsContact O-N 3.08Å; N541-E544 PolarHBondContact O-N 3.44Å; E544-R547 PolarHBondContact O-N 2.95Å; E544-T548 PolarHBondContact O-N 3.31Å; E544-T548 PolarHBondContact O-OG1 2.86Å
545	L	97.7	Very high	96.4	Very high	29 Å²	29	61.6 Å²	61.6	15%	0.152	32%	0.32	C	S	.	.	H	α-helix	trans	-65.3	-38.3	176.3	-66.7	170.9	0	0	0	112	A461 P462 A465 N541 I542 T548 V549	A461-L545 HydrophobicContact CB-CD1 3.93Å; P462-L545 HydrophobicContact CG-CD1 4.41Å; A465-L545 HydrophobicContact CB-CB 4.08Å; A465-L545 HydrophobicContact CB-CD2 3.78Å; A465-L545 HydrophobicContact CB-CG 4.41Å; N541-L545 VanDerWaalsContact O-CG 3.26Å; N541-L545 WeakPolarHBondContact O-CG 3.47Å; N541-L545 PolarHBondContact O-N 2.81Å; N541-L545 VanDerWaalsContact O-N 3.14Å; N541-L545 WeakPolarHBondContact OD1-CD1 3.45Å; I542-L545 WeakPolarHBondContact O-CB 3.31Å; I542-L545 PolarHBondContact O-N 2.82Å; L545-T548 WeakPolarHBondContact O-CB 3.01Å; L545-T548 PolarHBondContact O-N 3.45Å; L545-V549 PolarHBondContact O-N 2.94Å
546	I	97.6	Very high	96.4	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-60.6	-49.9	172.8	-70.2	155.1	0	0	0	110.6	P424 Y425 W464 I542 D543 T548 V549 D550 V561 Y565 M566	P424-I546 HydrophobicContact CG-CD1 3.67Å; P424-I546 HydrophobicContact CG-CG1 3.51Å; Y425-I546 HydrophobicContact CD2-CD1 4.44Å; Y425-I546 HydrophobicContact CE2-CD1 3.89Å; W464-I546 HydrophobicContact CH2-CG1 4.19Å; W464-I546 HydrophobicContact CZ3-CG1 4.36Å; I542-I546 HydrophobicContact CG2-CD1 3.8Å; I542-I546 HydrophobicContact CG2-CG1 4.41Å; I542-I546 WeakPolarHBondContact O-CD1 3.44Å; I542-I546 VanDerWaalsContact O-CG1 3.25Å; I542-I546 WeakPolarHBondContact O-CG1 3.3Å; I542-I546 PolarHBondContact O-N 2.79Å; D543-I546 PolarHBondContact O-N 2.68Å; I546-T548 PolarHBondContact O-N 2.91Å; I546-V549 PolarHBondContact O-N 2.88Å; I546-D550 WeakPolarHBondContact O-CB 3.44Å; I546-D550 PolarHBondContact O-N 3.32Å; I546-V561 HydrophobicContact CG2-CG2 3.97Å; I546-Y565 VanDerWaalsContact CD1-O 3.28Å; I546-Y565 WeakPolarHBondContact CD1-O 3.22Å; I546-M566 HydrophobicContact CG2-SD 4.02Å
547	R	96.8	Very high	96.3	Very high	153 Å²	153	66.9 Å²	66.9	58%	0.577	33%	0.332	S	S	*	.	H	α-helix	trans	-60.2	-35.3	178.3	-68.3	172.1	-167.7	-165.1	4.5	112.2	D543 E544 S551	D543-R547 WeakPolarHBondContact O-CG 3.44Å; D543-R547 PolarHBondContact O-N 3.01Å; E544-R547 PolarHBondContact O-N 2.95Å; R547-S551 VanDerWaalsContact O-CB 3.31Å; R547-S551 WeakPolarHBondContact O-CB 3.42Å; R547-S551 PolarHBondContact O-N 2.99Å; R547-S551 PolarHBondContact O-OG 2.91Å
548	T	97.3	Very high	96.3	Very high	62 Å²	62	63.4 Å²	63.4	38%	0.38	31%	0.312	S	S	.	.	H	α-helix	trans	-65.7	-46.4	176.6	-57.8	0	0	0	0	111.5	L469 E544 L545 I546 A552	L469-T548 HydrophobicContact CD1-CG2 4Å; E544-T548 PolarHBondContact O-N 3.31Å; E544-T548 PolarHBondContact O-OG1 2.86Å; L545-T548 WeakPolarHBondContact O-CB 3.01Å; L545-T548 PolarHBondContact O-N 3.45Å; I546-T548 PolarHBondContact O-N 2.91Å; T548-A552 PolarHBondContact O-N 3.31Å; T548-A552 VanDerWaalsContact O-N 3.11Å
549	V	97.6	Very high	96	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-66.1	-44.4	176.2	169.7	0	0	0	0	111.5	W464 A465 T468 L469 L545 I546 S551 A552 L553 V561	W464-V549 HydrophobicContact CE3-CG2 4.4Å; W464-V549 HydrophobicContact CH2-CB 4Å; W464-V549 HydrophobicContact CH2-CG1 4.17Å; W464-V549 HydrophobicContact CH2-CG2 3.89Å; W464-V549 HydrophobicContact CZ3-CB 4.18Å; W464-V549 HydrophobicContact CZ3-CG2 3.63Å; A465-V549 HydrophobicContact CB-CG2 4.06Å; T468-V549 HydrophobicContact CG2-CG1 3.75Å; T468-V549 HydrophobicContact CG2-CG2 4.4Å; L469-V549 HydrophobicContact CG-CG2 4.41Å; L545-V549 PolarHBondContact O-N 2.94Å; I546-V549 PolarHBondContact O-N 2.88Å; V549-S551 VanDerWaalsContact C-N 3.33Å; V549-S551 PolarHBondContact O-N 2.75Å; V549-A552 PolarHBondContact O-N 3.06Å; V549-A552 VanDerWaalsContact O-N 3.11Å; V549-L553 HydrophobicContact CG1-CD1 4.05Å; V549-L553 HydrophobicContact CG1-CG 4.47Å; V549-L553 WeakPolarHBondContact O-CG 3.41Å; V549-L553 PolarHBondContact O-N 2.04Å; V549-V561 HydrophobicContact CG1-CG1 4.1Å
550	D	97.4	Very high	95.9	Very high	12 Å²	12	63.3 Å²	63.3	6%	0.064	33%	0.326	C	S	.	.	H	α-helix	trans	-56.2	-46.7	175.6	-179.8	63.6	0	0	0	112.1	I546 A552 L553 K554 G560 V561 M566	I546-D550 WeakPolarHBondContact O-CB 3.44Å; I546-D550 PolarHBondContact O-N 3.32Å; D550-A552 VanDerWaalsContact C-N 3.3Å; D550-A552 PolarHBondContact O-N 2.88Å; D550-L553 PolarHBondContact O-N 3.37Å; D550-K554 VanDerWaalsContact CG-NZ 3.3Å; D550-K554 WeakPolarHBondContact O-CG 3.32Å; D550-K554 PolarHBondContact O-N 3.47Å; D550-K554 VanDerWaalsContact OD1-CE 3.23Å; D550-K554 WeakPolarHBondContact OD1-CE 3.05Å; D550-K554 IonicContact OD1-NZ 2.64Å; D550-K554 PolarHBondContact OD1-NZ 3.38Å; D550-K554 VanDerWaalsContact OD1-NZ 3.14Å; D550-K554 WeakPolarHBondContact OD2-CE 3.38Å; D550-K554 IonicContact OD2-NZ 3.45Å; D550-K554 PolarHBondContact OD2-NZ 2.91Å; D550-G560 WeakPolarHBondContact OD1-CA 3.49Å; D550-V561 HydrophobicContact CB-CG1 4.2Å; D550-V561 HydrophobicContact CB-CG2 3.89Å; D550-V561 PolarHBondContact OD1-N 3.06Å; D550-M566 HydrophobicContact CB-CE 3.92Å; D550-M566 VanDerWaalsContact CG-CE 3.45Å; D550-M566 WeakPolarHBondContact OD2-CE 3.22Å
551	S	96.9	Very high	95.8	Very high	57 Å²	57	61 Å²	61	40%	0.399	31%	0.305	S	S	.	.	H	α-helix	trans	-61.8	-36.5	176.3	-61.9	0	0	0	0	112.5	R547 V549 K555	R547-S551 VanDerWaalsContact O-CB 3.31Å; R547-S551 WeakPolarHBondContact O-CB 3.42Å; R547-S551 PolarHBondContact O-N 2.99Å; R547-S551 PolarHBondContact O-OG 2.91Å; V549-S551 VanDerWaalsContact C-N 3.33Å; V549-S551 PolarHBondContact O-N 2.75Å; S551-K555 WeakPolarHBondContact O-CB 3.39Å; S551-K555 WeakPolarHBondContact O-CD 3.46Å; S551-K555 WeakPolarHBondContact O-CG 3.48Å; S551-K555 PolarHBondContact O-N 3.31Å
552	A	97.3	Very high	95.7	Very high	21 Å²	21	58.8 Å²	58.8	17%	0.174	30%	0.295	C	S	.	.	H	α-helix	trans	-72.1	-35.5	177.7	0	0	0	0	0	113	L469 L472 T548 V549 D550	L469-A552 HydrophobicContact CD2-CB 3.36Å; L472-A552 HydrophobicContact CD1-CB 4.17Å; T548-A552 PolarHBondContact O-N 3.31Å; T548-A552 VanDerWaalsContact O-N 3.11Å; V549-A552 PolarHBondContact O-N 3.06Å; V549-A552 VanDerWaalsContact O-N 3.11Å; D550-A552 VanDerWaalsContact C-N 3.3Å; D550-A552 PolarHBondContact O-N 2.88Å
553	L	97.1	Very high	95.4	Very high	1 Å²	1	63 Å²	63	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-66.7	-49	172.8	-70.1	168.6	0	0	0	110.9	I421 L472 V480 V549 D550 K555 R556 M558 V561	I421-L553 HydrophobicContact CD1-CD1 4.2Å; I421-L553 HydrophobicContact CD1-CD2 4.23Å; L472-L553 HydrophobicContact CD1-CD2 3.88Å; L472-L553 HydrophobicContact CD1-CG 4.26Å; L472-L553 HydrophobicContact CD2-CD2 3.97Å; V480-L553 HydrophobicContact CG1-CD2 4.18Å; V480-L553 HydrophobicContact CG2-CD2 4.08Å; V549-L553 HydrophobicContact CG1-CD1 4.05Å; V549-L553 HydrophobicContact CG1-CG 4.47Å; V549-L553 WeakPolarHBondContact O-CG 3.41Å; V549-L553 PolarHBondContact O-N 2.04Å; D550-L553 PolarHBondContact O-N 3.37Å; L553-K555 VanDerWaalsContact C-N 3.34Å; L553-K555 PolarHBondContact O-N 3.18Å; L553-R556 CarbonylContact O-C 3.59Å; L553-R556 WeakPolarHBondContact O-CA 2.95Å; L553-R556 WeakPolarHBondContact O-CB 3.42Å; L553-R556 PolarHBondContact O-N 3.12Å; L553-M558 HydrophobicContact CB-CB 4.26Å; L553-M558 HydrophobicContact CD2-SD 3.66Å; L553-M558 WeakPolarHBondContact O-CB 3.49Å; L553-M558 PolarHBondContact O-N 2.92Å; L553-V561 HydrophobicContact CD1-CG1 3.85Å
554	K	96.3	Very high	95	Very high	104 Å²	104	65.9 Å²	65.9	45%	0.452	34%	0.342	S	S	.	.	H	α-helix	trans	-62	-37.8	179	-73.8	171.7	177.8	163.8	0	112.9	D550 R556 N557	D550-K554 VanDerWaalsContact CG-NZ 3.3Å; D550-K554 WeakPolarHBondContact O-CG 3.32Å; D550-K554 PolarHBondContact O-N 3.47Å; D550-K554 VanDerWaalsContact OD1-CE 3.23Å; D550-K554 WeakPolarHBondContact OD1-CE 3.05Å; D550-K554 IonicContact OD1-NZ 2.64Å; D550-K554 PolarHBondContact OD1-NZ 3.38Å; D550-K554 VanDerWaalsContact OD1-NZ 3.14Å; D550-K554 WeakPolarHBondContact OD2-CE 3.38Å; D550-K554 IonicContact OD2-NZ 3.45Å; D550-K554 PolarHBondContact OD2-NZ 2.91Å; K554-R556 PolarHBondContact O-N 3.19Å; K554-N557 PolarHBondContact O-N 2.7Å
555	K	95.9	Very high	94.7	Very high	179 Å²	179	59.8 Å²	59.8	78%	0.778	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-11.4	171.4	-78.9	172.3	-178.6	-179.4	0	114.5	S551 L553	S551-K555 WeakPolarHBondContact O-CB 3.39Å; S551-K555 WeakPolarHBondContact O-CD 3.46Å; S551-K555 WeakPolarHBondContact O-CG 3.48Å; S551-K555 PolarHBondContact O-N 3.31Å; L553-K555 VanDerWaalsContact C-N 3.34Å; L553-K555 PolarHBondContact O-N 3.18Å
556	R	93.7	Very high	94	Very high	113 Å²	113	61.2 Å²	61.2	43%	0.426	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	20.1	176.9	-67.6	179.1	166.1	-122.6	-3	112.7	L472 L553 K554 M558	L472-R556 PolarHBondContact O-NH1 2.86Å; L472-R556 PolarHBondContact O-NH2 3.3Å; L553-R556 CarbonylContact O-C 3.59Å; L553-R556 WeakPolarHBondContact O-CA 2.95Å; L553-R556 WeakPolarHBondContact O-CB 3.42Å; L553-R556 PolarHBondContact O-N 3.12Å; K554-R556 PolarHBondContact O-N 3.19Å; R556-M558 HydrophobicContact CB-CE 4.39Å; R556-M558 HydrophobicContact CB-CG 4.37Å; R556-M558 HydrophobicContact CB-SD 4.38Å; R556-M558 PolarHBondContact O-N 2.81Å
557	N	93.8	Very high	92.8	Very high	162 Å²	162	63.6 Å²	63.6	87%	0.866	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	29.4	-177	-58.7	-16.9	0	0	0	113.7	K554	K554-N557 PolarHBondContact O-N 2.7Å
558	M	93.6	Very high	91	Very high	59 Å²	59	71.1 Å²	71.1	29%	0.291	36%	0.364	S	S	.	.			trans	-94.7	159.8	171.1	-57.5	173	175.3	0	0	109.9	L472 V480 L553 R556 G560	L472-M558 HydrophobicContact CD2-SD 4.36Å; V480-M558 HydrophobicContact CB-SD 4.35Å; V480-M558 HydrophobicContact CG2-CE 3.98Å; V480-M558 HydrophobicContact CG2-SD 3.66Å; L553-M558 HydrophobicContact CB-CB 4.26Å; L553-M558 HydrophobicContact CD2-SD 3.66Å; L553-M558 WeakPolarHBondContact O-CB 3.49Å; L553-M558 PolarHBondContact O-N 2.92Å; R556-M558 HydrophobicContact CB-CE 4.39Å; R556-M558 HydrophobicContact CB-CG 4.37Å; R556-M558 HydrophobicContact CB-SD 4.38Å; R556-M558 PolarHBondContact O-N 2.81Å; M558-G560 PolarHBondContact O-N 2.91Å
559	S	89.4	Confident	90.6	Very high	102 Å²	102	71.6 Å²	71.6	71%	0.713	36%	0.364	S	S	*	.			trans	-58.5	-19.9	-177.4	43.8	0	0	0	0	115
560	G	93.6	Very high	90.3	Very high	1 Å²	1	75.4 Å²	75.4	1%	0.01	38%	0.383	C	S	.	.			trans	97.5	-162.8	-171.4	0	0	0	0	0	111.5	H482 D550 M558	H482-G560 PolarHBondContact NE2-O 2.88Å; D550-G560 WeakPolarHBondContact OD1-CA 3.49Å; M558-G560 PolarHBondContact O-N 2.91Å
561	V	94.1	Very high	89.9	Confident	13 Å²	13	78.9 Å²	78.9	8%	0.079	40%	0.4	C	S	.	.	S	Bend	trans	-83.4	149.6	169.4	-59.5	0	0	0	0	110.7	I546 V549 D550 L553 Y565 M566	I546-V561 HydrophobicContact CG2-CG2 3.97Å; V549-V561 HydrophobicContact CG1-CG1 4.1Å; D550-V561 HydrophobicContact CB-CG1 4.2Å; D550-V561 HydrophobicContact CB-CG2 3.89Å; D550-V561 PolarHBondContact OD1-N 3.06Å; L553-V561 HydrophobicContact CD1-CG1 3.85Å; V561-Y565 HydrophobicContact CB-CD2 3.75Å; V561-Y565 HydrophobicContact CB-CE2 4.42Å; V561-Y565 HydrophobicContact CB-CG 4.19Å; V561-Y565 HydrophobicContact CG1-CD2 4.09Å; V561-Y565 HydrophobicContact CG2-CD2 4.46Å; V561-M566 HydrophobicContact CG2-CE 3.67Å; V561-M566 HydrophobicContact CG2-SD 4.23Å
562	P	93.8	Very high	89.5	Confident	13 Å²	13	80.2 Å²	80.2	8%	0.084	40%	0.401	C	S	.	.			trans	-54.6	144.8	173.5	-27.2	34.7	0	0	0	112.1	H482 E485 E564 Y565	H482-P562 HydrophobicContact CB-CG 3.78Å; H482-P562 WeakPolarHBondContact ND1-CD 3.24Å; E485-P562 HydrophobicContact CG-CG 3.88Å; P562-E564 HydrophobicContact CB-CG 4.17Å; P562-E564 PolarHBondContact O-N 3.5Å; P562-Y565 HydrophobicContact CB-CD1 4.02Å; P562-Y565 HydrophobicContact CB-CE1 4Å; P562-Y565 HydrophobicContact CG-CD1 4.21Å; P562-Y565 HydrophobicContact CG-CE1 3.78Å; P562-Y565 WeakPolarHBondContact O-CB 3.23Å; P562-Y565 PolarHBondContact O-N 3.22Å
563	A	90	Very high	89	Confident	90 Å²	90	83.9 Å²	83.9	74%	0.744	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-55.8	-29.3	-178	0	0	0	0	0	113.5	Y565 M566	A563-Y565 PolarHBondContact O-N 3.32Å; A563-M566 WeakPolarHBondContact O-CB 3.22Å; A563-M566 PolarHBondContact O-N 2.7Å; A563-M566 VanDerWaalsContact O-N 3.13Å
564	E	89.3	Confident	88.4	Confident	83 Å²	83	89.4 Å²	89.4	39%	0.388	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-72.8	-2.4	175	62.9	134.6	-83.1	0	0	115.2	N423 K426 E484 P562	N423-E564 PolarHBondContact ND2-O 3.36Å; K426-E564 IonicContact NZ-OE1 2.84Å; K426-E564 PolarHBondContact NZ-OE1 2.79Å; K426-E564 IonicContact NZ-OE2 3.24Å; K426-E564 PolarHBondContact NZ-OE2 3.08Å; E484-E564 WeakPolarHBondContact CG-OE1 3.36Å; P562-E564 HydrophobicContact CB-CG 4.17Å; P562-E564 PolarHBondContact O-N 3.5Å
565	Y	88.8	Confident	87.9	Confident	1 Å²	1	88.4 Å²	88.4	0%	0.004	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-89	-23.9	168.7	-67.8	26	0	0	0	110.9	I421 N423 H482 E484 I546 V561 P562 A563	I421-Y565 HydrophobicContact CG2-CE2 4.11Å; I421-Y565 PolarHBondContact O-OH 3.32Å; N423-Y565 HydrophobicContact CB-CD1 3.63Å; N423-Y565 HydrophobicContact CB-CD2 4.42Å; N423-Y565 HydrophobicContact CB-CE1 3.69Å; N423-Y565 HydrophobicContact CB-CE2 4.47Å; N423-Y565 HydrophobicContact CB-CG 4.05Å; N423-Y565 PolarHBondContact N-OH 3.22Å; H482-Y565 AromaticContact ND1-CE2 3.94Å; H482-Y565 AromaticContact ND1-CZ 3.99Å; E484-Y565 HydrophobicContact CB-CE1 4.3Å; E484-Y565 HydrophobicContact CG-CE1 4.48Å; E484-Y565 WeakPolarHBondContact OE2-CE1 3.49Å; E484-Y565 PolarHBondContact OE2-OH 3.02Å; I546-Y565 VanDerWaalsContact CD1-O 3.28Å; I546-Y565 WeakPolarHBondContact CD1-O 3.22Å; V561-Y565 HydrophobicContact CB-CD2 3.75Å; V561-Y565 HydrophobicContact CB-CE2 4.42Å; V561-Y565 HydrophobicContact CB-CG 4.19Å; V561-Y565 HydrophobicContact CG1-CD2 4.09Å; V561-Y565 HydrophobicContact CG2-CD2 4.46Å; P562-Y565 HydrophobicContact CB-CD1 4.02Å; P562-Y565 HydrophobicContact CB-CE1 4Å; P562-Y565 HydrophobicContact CG-CD1 4.21Å; P562-Y565 HydrophobicContact CG-CE1 3.78Å; P562-Y565 WeakPolarHBondContact O-CB 3.23Å; P562-Y565 PolarHBondContact O-N 3.22Å; A563-Y565 PolarHBondContact O-N 3.32Å
566	M	83.6	Confident	87.3	Confident	59 Å²	59	81.4 Å²	81.4	29%	0.291	42%	0.415	S	S	.	.	S	Bend	trans	-69.6	154.5	-177.6	-67.9	-61.7	-172.5	0	0	111.6	I546 D550 V561 A563	I546-M566 HydrophobicContact CG2-SD 4.02Å; D550-M566 HydrophobicContact CB-CE 3.92Å; D550-M566 VanDerWaalsContact CG-CE 3.45Å; D550-M566 WeakPolarHBondContact OD2-CE 3.22Å; V561-M566 HydrophobicContact CG2-CE 3.67Å; V561-M566 HydrophobicContact CG2-SD 4.23Å; A563-M566 WeakPolarHBondContact O-CB 3.22Å; A563-M566 PolarHBondContact O-N 2.7Å; A563-M566 VanDerWaalsContact O-N 3.13Å
567	P	72.8	Confident	86.7	Confident	51 Å²	51	78.8 Å²	78.8	33%	0.331	42%	0.415	S	S	.	.			trans	-62	145.6	176.3	-15.2	30.3	0	0	0	110.1	D543	D543-P567 HydrophobicContact CB-CB 4.49Å; D543-P567 HydrophobicContact CB-CG 3.64Å; D543-P567 VanDerWaalsContact CG-CG 3.43Å
568	R	57.9	Low	86.1	Confident	311 Å²	311	71.2 Å²	71.2	100%	1.174	37%	0.373	S	S	*	.			trans	-105.9	0	169.1	-72.8	-172.5	176.3	-167	-2.7	109.7

Retrieved 568 of 568 residues in 1134.3 ms (Link to these results)

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