A0A096M151_POEFO Loading...

Glucosaminyl (N-acetyl) transferase family member 7

AlphaFold DB , UniProt , Accession A0A096M151, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 417 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34	Very low	34.3	Very low	239 Å²	239	164.8 Å²	164.8	100%	1.177	88%	0.875	S	S	*	*				0	84.8	0	-64.5	177.4	-170.3	0	0	106.6
2	H	33	Very low	35	Very low	191 Å²	191	164.2 Å²	164.2	88%	0.884	87%	0.871	S	S	*	*				44.6	96.3	86.2	-90	-51.9	0	0	0	114.8
3	Q	28.7	Very low	35.4	Very low	176 Å²	176	166.2 Å²	166.2	82%	0.822	87%	0.868	S	S	*	*			trans	-160.3	113.3	143.6	-88.6	-153	-9	0	0	106.1
4	L	30.9	Very low	35.9	Very low	153 Å²	153	162.6 Å²	162.6	80%	0.801	86%	0.862	S	S	*	*				103.1	125.8	83	-91.2	165.4	0	0	0	110.6
5	G	27.5	Very low	36.2	Very low	75 Å²	75	161.5 Å²	161.5	77%	0.773	86%	0.855	S	S	*	*			trans	114.1	72.2	133.5	0	0	0	0	0	118.8
6	G	30.6	Very low	36.7	Very low	73 Å²	73	153.9 Å²	153.9	75%	0.753	83%	0.828	S	S	*	*				87.9	124.4	123.8	0	0	0	0	0	119
7	R	32.6	Very low	37.3	Very low	250 Å²	250	150.5 Å²	150.5	94%	0.943	81%	0.814	S	S	*	*				-166	124.9	124.1	-108.2	166.3	-176.4	-178.3	1.3	112	C9	R7-C9 PolarHBondContact O-N 3.24Å
8	K	41.5	Very low	37.9	Very low	209 Å²	209	147.2 Å²	147.2	91%	0.909	80%	0.799	S	S	*	*			trans	-58.7	119.4	158.4	-66	172.9	174.6	178.6	0	108.4
9	C	38.6	Very low	38.4	Very low	131 Å²	131	142 Å²	142	89%	0.885	78%	0.778	S	S	*	*			trans	-173.2	78.8	152.5	-128.7	0	0	0	0	110.3	R7	R7-C9 PolarHBondContact O-N 3.24Å
10	S	41.7	Very low	38.7	Very low	112 Å²	112	139.5 Å²	139.5	78%	0.783	77%	0.77	S	S	*	*			trans	-150.6	68	170.3	-175.9	0	0	0	0	110.1
11	F	38.6	Very low	39.2	Very low	204 Å²	204	136.4 Å²	136.4	90%	0.895	76%	0.759	S	S	*	*	S	Bend	trans	-155.9	14.1	164	-106.2	-72.9	0	0	0	114.6
12	L	42.4	Very low	39.8	Very low	157 Å²	157	129.7 Å²	129.7	82%	0.822	73%	0.727	S	S	*	*	S	Bend	trans	-123.3	-0.7	-177.7	-104.2	123.4	0	0	0	115.9
13	F	39.6	Very low	40.7	Very low	190 Å²	190	126.2 Å²	126.2	83%	0.833	71%	0.713	S	S	*	*	S	Bend	trans	-98.2	-11.7	-176.7	-133	-97.2	0	0	0	115
14	C	43.2	Very low	41.3	Very low	117 Å²	117	125.6 Å²	125.6	79%	0.791	70%	0.704	S	S	*	*	S	Bend	trans	-93.7	-9.8	179.6	-71.1	0	0	0	0	114.9
15	L	39.4	Very low	41.5	Very low	145 Å²	145	128 Å²	128	76%	0.759	70%	0.703	S	S	*	*	S	Bend	trans	-94.2	-21	175.8	-79.4	162.5	0	0	0	113.5
16	G	45.1	Very low	42	Very low	41 Å²	41	129.9 Å²	129.9	42%	0.423	70%	0.695	S	S	.	*	H	α-helix	trans	-75.8	-29.2	-179	0	0	0	0	0	114.9	C20	G16-C20 PolarHBondContact O-N 3.15Å; G16-C20 PolarHBondContact O-SG 2.93Å
17	V	46.7	Very low	42.1	Very low	95 Å²	95	130.3 Å²	130.3	58%	0.576	69%	0.686	S	S	*	*	H	α-helix	trans	-82.1	-29.1	-175.5	-175.2	0	0	0	0	112.1	S21	V17-S21 PolarHBondContact O-OG 3.19Å; V17-S21 VanDerWaalsContact O-OG 3.09Å
18	V	48.1	Very low	42.3	Very low	91 Å²	91	128.5 Å²	128.5	55%	0.552	68%	0.679	S	S	*	*	H	α-helix	trans	-78.6	-34.8	176.5	-176.6	0	0	0	0	111.3	S21 I22	V18-S21 PolarHBondContact O-N 3.21Å; V18-I22 HydrophobicContact CG1-CD1 4.35Å; V18-I22 PolarHBondContact O-N 3.23Å
19	A	47.7	Very low	41.9	Very low	49 Å²	49	123.2 Å²	123.2	41%	0.405	66%	0.664	S	S	.	*	H	α-helix	trans	-69.2	-37.8	178.6	0	0	0	0	0	113.5	S21 I22 I23	A19-S21 VanDerWaalsContact C-N 3.29Å; A19-S21 PolarHBondContact O-N 2.94Å; A19-I22 PolarHBondContact O-N 3.16Å; A19-I23 WeakPolarHBondContact O-CG1 3.47Å; A19-I23 PolarHBondContact O-N 2.95Å
20	C	44	Very low	41.4	Very low	91 Å²	91	125.7 Å²	125.7	62%	0.615	66%	0.66	S	S	*	*	H	α-helix	trans	-67.8	-29.1	178	-70.1	0	0	0	0	112.9	G16 Y24	G16-C20 PolarHBondContact O-N 3.15Å; G16-C20 PolarHBondContact O-SG 2.93Å; C20-Y24 WeakPolarHBondContact O-CB 3.4Å; C20-Y24 PolarHBondContact O-N 3.15Å; C20-Y24 VanDerWaalsContact O-N 3.17Å
21	S	48.5	Very low	40.8	Very low	76 Å²	76	129 Å²	129	53%	0.531	67%	0.668	S	S	.	*	H	α-helix	trans	-75.3	-30.7	-179.8	-57.2	0	0	0	0	112.5	V17 V18 A19 W25	V17-S21 PolarHBondContact O-OG 3.19Å; V17-S21 VanDerWaalsContact O-OG 3.09Å; V18-S21 PolarHBondContact O-N 3.21Å; A19-S21 VanDerWaalsContact C-N 3.29Å; A19-S21 PolarHBondContact O-N 2.94Å; S21-W25 PolarHBondContact O-N 3.46Å
22	I	48.3	Very low	40.4	Very low	98 Å²	98	125.8 Å²	125.8	50%	0.503	67%	0.665	S	S	.	*	H	α-helix	trans	-80.6	-35.5	177.1	-64.8	172.7	0	0	0	111.4	V18 A19 W25 L26	V18-I22 HydrophobicContact CG1-CD1 4.35Å; V18-I22 PolarHBondContact O-N 3.23Å; A19-I22 PolarHBondContact O-N 3.16Å; I22-W25 PolarHBondContact O-N 3.39Å; I22-L26 HydrophobicContact CG2-CD1 3.68Å; I22-L26 HydrophobicContact CG2-CG 4.33Å; I22-L26 WeakPolarHBondContact O-CB 3.36Å; I22-L26 WeakPolarHBondContact O-CG 3.39Å; I22-L26 PolarHBondContact O-N 3.18Å
23	I	50.1	Low	39.6	Very low	117 Å²	117	121.3 Å²	121.3	60%	0.6	66%	0.657	S	S	*	*	H	α-helix	trans	-69.1	-38.8	176.2	-65.3	169.2	0	0	0	111.2	A19 W25 L26 S27	A19-I23 WeakPolarHBondContact O-CG1 3.47Å; A19-I23 PolarHBondContact O-N 2.95Å; I23-W25 VanDerWaalsContact C-N 3.29Å; I23-W25 PolarHBondContact O-N 3.17Å; I23-L26 PolarHBondContact O-N 3.22Å; I23-S27 WeakPolarHBondContact O-CB 3.43Å; I23-S27 PolarHBondContact O-N 3.45Å; I23-S27 PolarHBondContact O-OG 3.41Å
24	Y	41.5	Very low	39	Very low	163 Å²	163	118.8 Å²	118.8	64%	0.639	66%	0.657	S	S	*	*	H	α-helix	trans	-62.2	-38.1	174.1	-168.2	-101.2	0	0	0	111.6	C20 S27	C20-Y24 WeakPolarHBondContact O-CB 3.4Å; C20-Y24 PolarHBondContact O-N 3.15Å; C20-Y24 VanDerWaalsContact O-N 3.17Å; Y24-S27 PolarHBondContact O-OG 3.33Å
25	W	36.2	Very low	38.2	Very low	204 Å²	204	119 Å²	119	77%	0.773	66%	0.657	S	S	*	*	H	α-helix	trans	-73.8	-36.2	176.8	-118.3	83.8	0	0	0	113.9	S21 I22 I23	S21-W25 PolarHBondContact O-N 3.46Å; I22-W25 PolarHBondContact O-N 3.39Å; I23-W25 VanDerWaalsContact C-N 3.29Å; I23-W25 PolarHBondContact O-N 3.17Å
26	L	36.6	Very low	37.6	Very low	115 Å²	115	119.2 Å²	119.2	60%	0.602	66%	0.664	S	S	*	*	H	α-helix	trans	-78.5	-18	177	-72.5	169	0	0	0	113.8	I22 I23	I22-L26 HydrophobicContact CG2-CD1 3.68Å; I22-L26 HydrophobicContact CG2-CG 4.33Å; I22-L26 WeakPolarHBondContact O-CB 3.36Å; I22-L26 WeakPolarHBondContact O-CG 3.39Å; I22-L26 PolarHBondContact O-N 3.18Å; I23-L26 PolarHBondContact O-N 3.22Å
27	S	33.8	Very low	36.8	Very low	81 Å²	81	122.1 Å²	122.1	57%	0.566	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	-10.9	174	67.7	0	0	0	0	114.5	I23 Y24	I23-S27 WeakPolarHBondContact O-CB 3.43Å; I23-S27 PolarHBondContact O-N 3.45Å; I23-S27 PolarHBondContact O-OG 3.41Å; Y24-S27 PolarHBondContact O-OG 3.33Å
28	R	35.6	Very low	35.9	Very low	212 Å²	212	123.3 Å²	123.3	80%	0.8	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	1.4	175.9	-107.5	-171.1	179.4	-157.1	0.6	114.5
29	T	33.9	Very low	34.9	Very low	98 Å²	98	128 Å²	128	60%	0.601	70%	0.704	S	S	*	*			trans	-120.6	60.3	175.9	49.9	0	0	0	0	111
30	K	27.6	Very low	33.9	Very low	184 Å²	184	131.7 Å²	131.7	80%	0.8	72%	0.724	S	S	*	*			trans	-118.9	100.1	156.2	-81.6	-171	177.2	-178.9	0	109.2	V32	K30-V32 PolarHBondContact O-N 3.4Å; K30-V32 VanDerWaalsContact O-N 3.15Å
31	L	30.3	Very low	33	Very low	180 Å²	180	134 Å²	134	94%	0.942	74%	0.735	S	S	*	*			trans	-47.6	111.3	155.7	-84.1	134.6	0	0	0	108.4
32	V	29.1	Very low	32.4	Very low	138 Å²	138	137.1 Å²	137.1	84%	0.836	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-78.7	127.3	164.1	173.1	0	0	0	0	106.8	K30	K30-V32 PolarHBondContact O-N 3.4Å; K30-V32 VanDerWaalsContact O-N 3.15Å
33	G	27.2	Very low	31.4	Very low	63 Å²	63	137.2 Å²	137.2	65%	0.649	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-58.5	149.3	-173.9	0	0	0	0	0	114.1
34	T	25.5	Very low	30.4	Very low	136 Å²	136	135.1 Å²	135.1	83%	0.834	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-63.7	131.1	173	32.3	0	0	0	0	111.7
35	P	26	Very low	30.2	Very low	121 Å²	121	133.8 Å²	133.8	79%	0.786	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-75.3	124.2	159.9	-2.1	19.1	0	0	0	108.8	S37	P35-S37 PolarHBondContact O-N 2.96Å
36	T	28.1	Very low	29.9	Very low	150 Å²	150	133 Å²	133	92%	0.92	78%	0.775	S	S	*	*			trans	-66.5	109.2	166.5	33.2	0	0	0	0	109.8
37	S	27	Very low	29.8	Very low	102 Å²	102	137 Å²	137	71%	0.713	79%	0.787	S	S	*	*			trans	-143.3	112.7	160	171.3	0	0	0	0	107.4	P35 K39	P35-S37 PolarHBondContact O-N 2.96Å; S37-K39 PolarHBondContact O-N 3.38Å; S37-K39 VanDerWaalsContact O-N 3.15Å
38	S	29.6	Very low	29.9	Very low	120 Å²	120	142.5 Å²	142.5	84%	0.839	80%	0.796	S	S	*	*			trans	-48.2	111.1	177.9	46.1	0	0	0	0	112.2
39	K	26.7	Very low	30.2	Very low	191 Å²	191	140.9 Å²	140.9	83%	0.83	80%	0.797	S	S	*	*			trans	-98	140.1	163.2	-80.3	-177	176.5	179.9	0	109.1	S37	S37-K39 PolarHBondContact O-N 3.38Å; S37-K39 VanDerWaalsContact O-N 3.15Å
40	P	26.8	Very low	30.8	Very low	125 Å²	125	141.1 Å²	141.1	81%	0.812	80%	0.795	S	S	*	*			trans	-64.7	138.4	177.8	-7.8	22.2	0	0	0	110	L42	P40-L42 PolarHBondContact O-N 2.9Å; P40-L42 VanDerWaalsContact O-N 3.16Å
41	T	25.2	Very low	32	Very low	140 Å²	140	136.6 Å²	136.6	86%	0.859	77%	0.773	S	S	*	*			trans	-59.7	108.6	179.8	7.9	0	0	0	0	111.3	A43	T41-A43 VanDerWaalsContact C-N 3.26Å; T41-A43 PolarHBondContact O-N 3.19Å
42	L	35.8	Very low	33.5	Very low	142 Å²	142	129.6 Å²	129.6	74%	0.743	74%	0.739	S	S	*	*			trans	-85.5	70	165.9	-162.2	78.8	0	0	0	109	P40 G44 I45	P40-L42 PolarHBondContact O-N 2.9Å; P40-L42 VanDerWaalsContact O-N 3.16Å; L42-G44 PolarHBondContact O-N 3.45Å; L42-I45 HydrophobicContact CD2-CD1 3.61Å; L42-I45 HydrophobicContact CD2-CG1 4.16Å; L42-I45 HydrophobicContact CG-CD1 4.43Å
43	A	27	Very low	34.5	Very low	100 Å²	100	129.5 Å²	129.5	83%	0.826	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	101.1	168.5	0	0	0	0	0	108.2	T41	T41-A43 VanDerWaalsContact C-N 3.26Å; T41-A43 PolarHBondContact O-N 3.19Å
44	G	29.8	Very low	35.4	Very low	72 Å²	72	131.9 Å²	131.9	74%	0.742	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	164.8	2.6	174.8	0	0	0	0	0	117.7	L42	L42-G44 PolarHBondContact O-N 3.45Å
45	I	36.7	Very low	36.2	Very low	135 Å²	135	129.7 Å²	129.7	69%	0.692	73%	0.732	S	S	*	*			trans	-129.8	70.6	-178.5	-47	-176.6	0	0	0	110.3	L42	L42-I45 HydrophobicContact CD2-CD1 3.61Å; L42-I45 HydrophobicContact CD2-CG1 4.16Å; L42-I45 HydrophobicContact CG-CD1 4.43Å
46	E	29.3	Very low	36.9	Very low	188 Å²	188	132.5 Å²	132.5	88%	0.879	73%	0.732	S	S	*	*	S	Bend	trans	-134.8	125.9	156.6	-78.3	-169.6	155.5	0	0	109
47	K	34	Very low	37.6	Very low	198 Å²	198	133.5 Å²	133.5	86%	0.861	73%	0.726	S	S	*	*			trans	71.5	81	174.3	-63.1	-179.7	177.5	177.1	0	118
48	R	37.7	Very low	38.7	Very low	198 Å²	198	131.6 Å²	131.6	75%	0.747	71%	0.707	S	S	*	*			trans	-126.1	42.8	154.7	-91.5	-169.5	178.8	-168.3	1.7	112	N50 Y51	R48-N50 VanDerWaalsContact C-N 3.28Å; R48-N50 PolarHBondContact O-N 3.43Å; R48-Y51 HydrophobicContact CB-CE2 4.04Å; R48-Y51 PolarHBondContact NH1-OH 3.46Å; R48-Y51 WeakPolarHBondContact O-CD2 3.39Å; R48-Y51 WeakPolarHBondContact O-CE2 3.21Å
49	E	40	Very low	39.5	Very low	177 Å²	177	130.2 Å²	130.2	83%	0.827	69%	0.69	S	S	*	*			trans	-80.5	-0.6	177.3	-75.3	177.7	149.8	0	0	114.2	Y51	E49-Y51 PolarHBondContact O-N 3.42Å
50	N	47.6	Very low	40.7	Very low	104 Å²	104	129.5 Å²	129.5	56%	0.556	68%	0.683	S	S	*	*			trans	-97.1	32.7	-174.3	-78.7	-6.6	0	0	0	115.1	R48 C52	R48-N50 VanDerWaalsContact C-N 3.28Å; R48-N50 PolarHBondContact O-N 3.43Å; N50-C52 PolarHBondContact O-N 3.44Å
51	Y	53.4	Low	42.1	Very low	88 Å²	88	124.2 Å²	124.2	35%	0.345	65%	0.648	S	S	.	*	S	Bend	trans	-64.9	-28.2	-178.4	-82.1	-79.9	0	0	0	113.7	R48 E49	R48-Y51 HydrophobicContact CB-CE2 4.04Å; R48-Y51 PolarHBondContact NH1-OH 3.46Å; R48-Y51 WeakPolarHBondContact O-CD2 3.39Å; R48-Y51 WeakPolarHBondContact O-CE2 3.21Å; E49-Y51 PolarHBondContact O-N 3.42Å
52	C	61.7	Low	43.3	Very low	34 Å²	34	121.6 Å²	121.6	23%	0.23	64%	0.64	C	S	.	*	S	Bend	trans	-127.1	2.8	-172.6	-52.7	0	0	0	0	114.4	N50 N54 I357 C385	N50-C52 PolarHBondContact O-N 3.44Å; C52-N54 PolarHBondContact O-N 3.19Å; C52-I357 HydrophobicContact CB-CD1 4.49Å; C52-C385 HydrophobicContact CB-CB 4.06Å; C52-C385 WeakPolarHBondContact CB-SG 3.43Å; C52-C385 WeakPolarHBondContact SG-CB 3.44Å; C52-C385 CovalentContact SG-SG 2.01Å; C52-C385 PolarHBondContact SG-SG 2.9Å
53	Q	48.7	Very low	44.5	Very low	135 Å²	135	116 Å²	116	63%	0.631	61%	0.611	S	S	*	*	S	Bend	trans	-89	5.4	-170.2	-75.1	-147.1	-14	0	0	115.6
54	N	45.9	Very low	46	Very low	113 Å²	113	113.2 Å²	113.2	60%	0.604	58%	0.584	S	S	*	*	S	Bend	trans	-134.3	13.2	-168.8	-98.4	-25.2	0	0	0	117.7	C52 K56	C52-N54 PolarHBondContact O-N 3.19Å; N54-K56 WeakPolarHBondContact O-CB 3.48Å; N54-K56 WeakPolarHBondContact O-CG 3.34Å; N54-K56 PolarHBondContact O-N 3.48Å
55	G	43.4	Very low	47.3	Very low	90 Å²	90	119.3 Å²	119.3	93%	0.928	59%	0.59	S	S	*	*			trans	51.2	6.7	170.7	0	0	0	0	0	116.4
56	K	41	Very low	48.7	Very low	181 Å²	181	118 Å²	118	79%	0.787	59%	0.585	S	S	*	*	S	Bend	trans	-99.3	102.9	-172.3	-86.9	-175.8	178.2	-176.6	0	104.9	N54 I58	N54-K56 WeakPolarHBondContact O-CB 3.48Å; N54-K56 WeakPolarHBondContact O-CG 3.34Å; N54-K56 PolarHBondContact O-N 3.48Å; K56-I58 PolarHBondContact O-N 3.45Å; K56-I58 VanDerWaalsContact O-N 3.1Å
57	Q	43.2	Very low	50.9	Low	170 Å²	170	109 Å²	109	79%	0.794	54%	0.543	S	S	*	.			trans	22.7	79	166.2	-74.6	179.3	-20.4	0	0	112.3	N59	Q57-N59 PolarHBondContact O-N 3.44Å
58	I	48.3	Very low	52.8	Low	62 Å²	62	100.1 Å²	100.1	32%	0.318	51%	0.507	S	S	.	.			trans	-60.2	100.7	149.5	-58.8	175.8	0	0	0	102.5	K56 R60 D384 C385	K56-I58 PolarHBondContact O-N 3.45Å; K56-I58 VanDerWaalsContact O-N 3.1Å; I58-R60 PolarHBondContact O-N 3.06Å; I58-D384 HydrophobicContact CG2-CB 4.18Å; I58-C385 HydrophobicContact CD1-CB 3.75Å
59	N	46.8	Very low	54.5	Low	91 Å²	91	92.9 Å²	92.9	49%	0.487	49%	0.487	S	S	.	.			trans	-50.3	113.8	172.9	-80.6	-31.6	0	0	0	105.1	Q57 L61	Q57-N59 PolarHBondContact O-N 3.44Å; N59-L61 PolarHBondContact O-N 3.46Å; N59-L61 VanDerWaalsContact O-N 3.13Å
60	R	52.2	Low	56.3	Low	177 Å²	177	85.8 Å²	85.8	67%	0.668	45%	0.453	S	S	*	.			trans	-42.5	125	-170	-158.5	-177.8	-158.6	-176.3	5.2	107.7	I58 A62	I58-R60 PolarHBondContact O-N 3.06Å; R60-A62 WeakPolarHBondContact O-CA 3.45Å; R60-A62 PolarHBondContact O-N 3.25Å
61	L	55.4	Low	57.8	Low	14 Å²	14	80.9 Å²	80.9	7%	0.073	43%	0.426	C	S	.	.			trans	-58.9	93.4	172.8	-92.1	156.4	0	0	0	106.4	N59 L63 D384 E387 Q388 L408	N59-L61 PolarHBondContact O-N 3.46Å; N59-L61 VanDerWaalsContact O-N 3.13Å; L61-L63 PolarHBondContact O-N 3.45Å; L61-D384 HydrophobicContact CD1-CB 4.2Å; L61-D384 WeakPolarHBondContact CD1-O 3.14Å; L61-E387 HydrophobicContact CD1-CB 4.4Å; L61-Q388 HydrophobicContact CD1-CB 4.16Å; L61-L408 HydrophobicContact CD2-CB 3.52Å; L61-L408 HydrophobicContact CD2-CD1 4.22Å; L61-L408 HydrophobicContact CD2-CD2 4.46Å; L61-L408 HydrophobicContact CD2-CG 4.28Å
62	A	51.5	Low	58.8	Low	85 Å²	85	80.5 Å²	80.5	70%	0.702	43%	0.428	S	S	*	.			trans	-79.5	83.6	-164.3	0	0	0	0	0	107.4	R60	R60-A62 WeakPolarHBondContact O-CA 3.45Å; R60-A62 PolarHBondContact O-N 3.25Å
63	L	60.9	Low	59.1	Low	24 Å²	24	83.2 Å²	83.2	13%	0.126	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-52.6	145.6	145.4	-73.5	174.4	0	0	0	107.6	L61 K65 V67 L85 R116	L61-L63 PolarHBondContact O-N 3.45Å; L63-K65 PolarHBondContact O-N 3.28Å; L63-V67 HydrophobicContact CB-CG2 3.83Å; L63-V67 HydrophobicContact CD1-CG2 3.8Å; L63-V67 HydrophobicContact CG-CG2 4.35Å; L63-L85 HydrophobicContact CD2-CD2 3.8Å; L63-R116 HydrophobicContact CD1-CG 3.6Å
64	P	58.8	Low	59.5	Low	41 Å²	41	77.6 Å²	77.6	27%	0.266	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-46.9	135.8	173.3	-28.1	35.9	0	0	0	110	N66 V67 Y70	P64-N66 PolarHBondContact O-N 3.28Å; P64-N66 VanDerWaalsContact O-N 3.08Å; P64-V67 PolarHBondContact O-N 3.39Å; P64-Y70 HydrophobicContact CB-CD1 4.16Å; P64-Y70 HydrophobicContact CB-CD2 3.76Å; P64-Y70 HydrophobicContact CB-CE2 4.44Å; P64-Y70 HydrophobicContact CB-CG 3.62Å; P64-Y70 HydrophobicContact CG-CD1 3.72Å; P64-Y70 HydrophobicContact CG-CD2 3.76Å; P64-Y70 HydrophobicContact CG-CE1 3.92Å; P64-Y70 HydrophobicContact CG-CE2 3.98Å; P64-Y70 HydrophobicContact CG-CG 3.64Å
65	K	56.3	Low	60.3	Low	201 Å²	201	80.7 Å²	80.7	87%	0.874	44%	0.439	S	S	*	.	S	Bend	trans	-52.1	123.5	175.3	-73	-175.8	-179.5	178.3	0	107.7	L63	L63-K65 PolarHBondContact O-N 3.28Å
66	N	67.2	Low	61.3	Low	107 Å²	107	79 Å²	79	57%	0.572	41%	0.408	S	S	*	.	S	Bend	trans	63.5	78.4	-174.9	-171.6	-13	0	0	0	113.1	P64 G68 S69 Y70	P64-N66 PolarHBondContact O-N 3.28Å; P64-N66 VanDerWaalsContact O-N 3.08Å; N66-G68 PolarHBondContact O-N 2.66Å; N66-S69 VanDerWaalsContact CB-OG 3.29Å; N66-S69 WeakPolarHBondContact CB-OG 3.48Å; N66-S69 PolarHBondContact O-N 2.82Å; N66-S69 VanDerWaalsContact O-N 3.07Å; N66-S69 PolarHBondContact O-OG 2.85Å; N66-S69 PolarHBondContact OD1-N 3.27Å; N66-S69 PolarHBondContact OD1-OG 3.35Å; N66-Y70 PolarHBondContact O-N 3.42Å
67	V	75.7	Confident	63.3	Low	0 Å²	0	77.1 Å²	77.1	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-52.5	-39.2	178.9	-176.8	0	0	0	0	111.9	L63 P64 Y70 I71 D112 V115	L63-V67 HydrophobicContact CB-CG2 3.83Å; L63-V67 HydrophobicContact CD1-CG2 3.8Å; L63-V67 HydrophobicContact CG-CG2 4.35Å; P64-V67 PolarHBondContact O-N 3.39Å; V67-Y70 PolarHBondContact O-N 3Å; V67-I71 HydrophobicContact CG1-CD1 3.67Å; V67-I71 HydrophobicContact CG1-CG1 4.31Å; V67-I71 WeakPolarHBondContact O-CB 3.18Å; V67-I71 WeakPolarHBondContact O-CG1 3.48Å; V67-I71 PolarHBondContact O-N 3.42Å; V67-D112 VanDerWaalsContact CB-OD1 3.26Å; V67-D112 WeakPolarHBondContact CB-OD1 3.3Å; V67-D112 HydrophobicContact CG2-CB 4.22Å; V67-D112 VanDerWaalsContact CG2-CG 3.44Å; V67-D112 WeakPolarHBondContact CG2-OD1 3.18Å; V67-V115 HydrophobicContact CG1-CB 4.29Å; V67-V115 HydrophobicContact CG1-CG1 4.44Å; V67-V115 HydrophobicContact CG1-CG2 3.68Å
68	G	73.6	Confident	65.6	Low	11 Å²	11	71.3 Å²	71.3	11%	0.113	38%	0.38	C	S	.	.	H	α-helix	trans	-60.3	-50.6	177	0	0	0	0	0	112	N66 Y70 I71 Q72 L111	N66-G68 PolarHBondContact O-N 2.66Å; G68-Y70 VanDerWaalsContact C-N 3.29Å; G68-Y70 PolarHBondContact O-N 3.24Å; G68-I71 PolarHBondContact O-N 3.33Å; G68-Q72 WeakPolarHBondContact O-CB 3.48Å; G68-Q72 VanDerWaalsContact O-CG 3.3Å; G68-Q72 WeakPolarHBondContact O-CG 3.26Å; G68-Q72 PolarHBondContact O-N 3.39Å; G68-L111 VanDerWaalsContact CA-CD2 3.42Å
69	S	71.9	Confident	67.4	Low	46 Å²	46	71.6 Å²	71.6	32%	0.322	39%	0.387	S	S	.	.	H	α-helix	trans	-62.6	-37.1	175.8	72.9	0	0	0	0	112.1	N66 Q72 S73	N66-S69 VanDerWaalsContact CB-OG 3.29Å; N66-S69 WeakPolarHBondContact CB-OG 3.48Å; N66-S69 PolarHBondContact O-N 2.82Å; N66-S69 VanDerWaalsContact O-N 3.07Å; N66-S69 PolarHBondContact O-OG 2.85Å; N66-S69 PolarHBondContact OD1-N 3.27Å; N66-S69 PolarHBondContact OD1-OG 3.35Å; S69-Q72 PolarHBondContact O-N 2.86Å; S69-S73 WeakPolarHBondContact O-CA 3.36Å; S69-S73 WeakPolarHBondContact O-CB 3.05Å; S69-S73 PolarHBondContact O-N 2.83Å; S69-S73 PolarHBondContact O-OG 3.23Å
70	Y	77.9	Confident	69.4	Low	28 Å²	28	70.4 Å²	70.4	11%	0.11	38%	0.381	C	S	.	.	H	α-helix	trans	-66.6	-44.1	177.2	174.9	-102	0	0	0	111.7	P64 N66 V67 G68 Q72 T74 L76 L81 E84 L85	P64-Y70 HydrophobicContact CB-CD1 4.16Å; P64-Y70 HydrophobicContact CB-CD2 3.76Å; P64-Y70 HydrophobicContact CB-CE2 4.44Å; P64-Y70 HydrophobicContact CB-CG 3.62Å; P64-Y70 HydrophobicContact CG-CD1 3.72Å; P64-Y70 HydrophobicContact CG-CD2 3.76Å; P64-Y70 HydrophobicContact CG-CE1 3.92Å; P64-Y70 HydrophobicContact CG-CE2 3.98Å; P64-Y70 HydrophobicContact CG-CG 3.64Å; N66-Y70 PolarHBondContact O-N 3.42Å; V67-Y70 PolarHBondContact O-N 3Å; G68-Y70 VanDerWaalsContact C-N 3.29Å; G68-Y70 PolarHBondContact O-N 3.24Å; Y70-Q72 VanDerWaalsContact C-N 3.34Å; Y70-Q72 PolarHBondContact O-N 3.09Å; Y70-T74 HydrophobicContact CD2-CG2 4.22Å; Y70-T74 HydrophobicContact CE2-CG2 4.1Å; Y70-T74 WeakPolarHBondContact O-CB 3.39Å; Y70-T74 WeakPolarHBondContact O-CG2 3.38Å; Y70-T74 PolarHBondContact O-OG1 3.23Å; Y70-L76 HydrophobicContact CE2-CD1 4.18Å; Y70-L76 WeakPolarHBondContact OH-CD1 3.4Å; Y70-L81 HydrophobicContact CD1-CD1 4.2Å; Y70-L81 HydrophobicContact CE1-CD1 3.58Å; Y70-E84 WeakPolarHBondContact OH-CB 3.4Å; Y70-E84 PolarHBondContact OH-OE2 3.47Å; Y70-L85 HydrophobicContact CD1-CD2 4.31Å; Y70-L85 HydrophobicContact CE1-CD2 4.03Å; Y70-L85 HydrophobicContact CE1-CG 4.24Å
71	I	79.8	Confident	71.2	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-63	-42.9	174.2	-69.6	164.4	0	0	0	109.9	V67 G68 T74 L81 L111 V115 A143 K146 L147	V67-I71 HydrophobicContact CG1-CD1 3.67Å; V67-I71 HydrophobicContact CG1-CG1 4.31Å; V67-I71 WeakPolarHBondContact O-CB 3.18Å; V67-I71 WeakPolarHBondContact O-CG1 3.48Å; V67-I71 PolarHBondContact O-N 3.42Å; G68-I71 PolarHBondContact O-N 3.33Å; I71-T74 PolarHBondContact O-OG1 3.36Å; I71-L81 HydrophobicContact CG1-CD1 4.41Å; I71-L111 HydrophobicContact CD1-CD2 4.2Å; I71-V115 HydrophobicContact CD1-CG2 3.99Å; I71-A143 WeakPolarHBondContact CG2-O 3.33Å; I71-K146 HydrophobicContact CG2-CB 3.94Å; I71-K146 HydrophobicContact CG2-CD 4.11Å; I71-K146 HydrophobicContact CG2-CG 4.02Å; I71-K146 WeakPolarHBondContact O-CD 3.34Å; I71-K146 WeakPolarHBondContact O-CE 3.13Å; I71-K146 PolarHBondContact O-NZ 3.5Å; I71-L147 HydrophobicContact CD1-CB 4.32Å; I71-L147 HydrophobicContact CD1-CD2 4.35Å
72	Q	75.4	Confident	72.9	Confident	81 Å²	81	62.3 Å²	62.3	38%	0.379	35%	0.352	S	S	.	.	H	α-helix	trans	-77.7	-45.5	-174.7	-72.3	174.9	-15.9	0	0	114.2	G68 S69 Y70 T74 E139 A143 K146	G68-Q72 WeakPolarHBondContact O-CB 3.48Å; G68-Q72 VanDerWaalsContact O-CG 3.3Å; G68-Q72 WeakPolarHBondContact O-CG 3.26Å; G68-Q72 PolarHBondContact O-N 3.39Å; S69-Q72 PolarHBondContact O-N 2.86Å; Y70-Q72 VanDerWaalsContact C-N 3.34Å; Y70-Q72 PolarHBondContact O-N 3.09Å; Q72-T74 PolarHBondContact O-N 3.26Å; Q72-T74 VanDerWaalsContact O-N 3.17Å; Q72-E139 PolarHBondContact NE2-O 3.28Å; Q72-A143 HydrophobicContact CG-CB 4.31Å; Q72-K146 PolarHBondContact O-NZ 2.84Å
73	S	67.4	Low	74.8	Confident	91 Å²	91	64.3 Å²	64.3	64%	0.636	34%	0.344	S	S	*	.	H	α-helix	trans	-66	-18.4	-175.1	60.5	0	0	0	0	113.9	S69 N75	S69-S73 WeakPolarHBondContact O-CA 3.36Å; S69-S73 WeakPolarHBondContact O-CB 3.05Å; S69-S73 PolarHBondContact O-N 2.83Å; S69-S73 PolarHBondContact O-OG 3.23Å; S73-N75 PolarHBondContact O-N 2.85Å
74	T	57.8	Low	76.1	Confident	17 Å²	17	67.6 Å²	67.6	10%	0.104	36%	0.359	C	S	.	.			trans	-83.9	113.2	-169.7	46.3	0	0	0	0	111.3	Y70 I71 Q72 L76 K146	Y70-T74 HydrophobicContact CD2-CG2 4.22Å; Y70-T74 HydrophobicContact CE2-CG2 4.1Å; Y70-T74 WeakPolarHBondContact O-CB 3.39Å; Y70-T74 WeakPolarHBondContact O-CG2 3.38Å; Y70-T74 PolarHBondContact O-OG1 3.23Å; I71-T74 PolarHBondContact O-OG1 3.36Å; Q72-T74 PolarHBondContact O-N 3.26Å; Q72-T74 VanDerWaalsContact O-N 3.17Å; T74-L76 VanDerWaalsContact CB-CG 3.43Å; T74-L76 HydrophobicContact CG2-CB 4.24Å; T74-L76 HydrophobicContact CG2-CD1 3.17Å; T74-L76 HydrophobicContact CG2-CG 3.51Å; T74-L76 PolarHBondContact O-N 3.46Å; T74-K146 PolarHBondContact O-NZ 2.6Å
75	N	61.6	Low	77.6	Confident	178 Å²	178	65.6 Å²	65.6	95%	0.952	35%	0.346	S	S	*	.			trans	-65.1	18.9	149.6	-81.4	-16.8	0	0	0	111.3	S73 Q77	S73-N75 PolarHBondContact O-N 2.85Å; N75-Q77 PolarHBondContact O-N 2.79Å
76	L	64.4	Low	79.4	Confident	54 Å²	54	57.4 Å²	57.4	28%	0.283	31%	0.311	S	S	.	.			trans	-69.8	132.7	-177.3	-70.3	172.6	0	0	0	108.7	Y70 T74 N80	Y70-L76 HydrophobicContact CE2-CD1 4.18Å; Y70-L76 WeakPolarHBondContact OH-CD1 3.4Å; T74-L76 VanDerWaalsContact CB-CG 3.43Å; T74-L76 HydrophobicContact CG2-CB 4.24Å; T74-L76 HydrophobicContact CG2-CD1 3.17Å; T74-L76 HydrophobicContact CG2-CG 3.51Å; T74-L76 PolarHBondContact O-N 3.46Å; L76-N80 HydrophobicContact CB-CB 4.27Å; L76-N80 HydrophobicContact CD2-CB 3.93Å; L76-N80 HydrophobicContact CG-CB 4.49Å
77	Q	84.1	Confident	80.8	Confident	141 Å²	141	52.5 Å²	52.5	66%	0.659	28%	0.284	S	S	*	.			trans	-57.9	144.7	164	-64.1	-176.5	-9.7	0	0	109.4	N75 S79 N80 L81	N75-Q77 PolarHBondContact O-N 2.79Å; Q77-S79 WeakPolarHBondContact CB-OG 3.41Å; Q77-S79 PolarHBondContact O-N 2.87Å; Q77-N80 PolarHBondContact O-N 3.2Å; Q77-L81 PolarHBondContact O-N 3.33Å
78	C	90.4	Very high	81.9	Confident	49 Å²	49	52.6 Å²	52.6	33%	0.331	29%	0.285	S	S	.	.	H	α-helix	trans	-54.5	-29.3	-179.9	-77.7	0	0	0	0	114	N80 L81 T82 C150	C78-N80 VanDerWaalsContact C-N 3.33Å; C78-N80 PolarHBondContact O-N 3.47Å; C78-L81 PolarHBondContact O-N 3Å; C78-T82 WeakPolarHBondContact O-CB 3.16Å; C78-T82 WeakPolarHBondContact O-CG2 3.28Å; C78-T82 PolarHBondContact O-N 2.7Å; C78-T82 PolarHBondContact O-OG1 2.94Å; C78-C150 WeakPolarHBondContact CA-SG 3.35Å; C78-C150 HydrophobicContact CB-CB 3.47Å; C78-C150 VanDerWaalsContact CB-CB 3.47Å; C78-C150 WeakPolarHBondContact CB-SG 3.41Å; C78-C150 WeakPolarHBondContact SG-CA 3.37Å; C78-C150 WeakPolarHBondContact SG-CB 3.31Å; C78-C150 CovalentContact SG-SG 2.05Å; C78-C150 PolarHBondContact SG-SG 3.14Å
79	S	87	Confident	82.9	Confident	67 Å²	67	56.4 Å²	56.4	47%	0.469	30%	0.303	S	S	.	.	H	α-helix	trans	-57.6	-41.8	172.1	50.3	0	0	0	0	113	Q77 T82 K83	Q77-S79 WeakPolarHBondContact CB-OG 3.41Å; Q77-S79 PolarHBondContact O-N 2.87Å; S79-T82 PolarHBondContact O-OG1 3.47Å; S79-K83 VanDerWaalsContact O-CB 3.24Å; S79-K83 WeakPolarHBondContact O-CB 3.33Å; S79-K83 PolarHBondContact O-N 3.4Å
80	N	88.1	Confident	84.1	Confident	67 Å²	67	57.3 Å²	57.3	36%	0.358	31%	0.306	S	S	.	.	H	α-helix	trans	-75.1	-45.1	177.7	-68.1	-10.2	0	0	0	110.7	L76 Q77 C78 T82 K83 E84	L76-N80 HydrophobicContact CB-CB 4.27Å; L76-N80 HydrophobicContact CD2-CB 3.93Å; L76-N80 HydrophobicContact CG-CB 4.49Å; Q77-N80 PolarHBondContact O-N 3.2Å; C78-N80 VanDerWaalsContact C-N 3.33Å; C78-N80 PolarHBondContact O-N 3.47Å; N80-T82 PolarHBondContact O-N 3.46Å; N80-K83 PolarHBondContact O-N 3.43Å; N80-E84 WeakPolarHBondContact O-CB 3.48Å; N80-E84 WeakPolarHBondContact O-CG 3.5Å; N80-E84 PolarHBondContact O-N 2.92Å
81	L	89.3	Confident	85.1	Confident	3 Å²	3	57.3 Å²	57.3	2%	0.016	31%	0.309	C	S	.	.	H	α-helix	trans	-57.5	-49.3	-179.1	-177.6	65.2	0	0	0	111.7	Y70 I71 Q77 C78 K83 L85 L147	Y70-L81 HydrophobicContact CD1-CD1 4.2Å; Y70-L81 HydrophobicContact CE1-CD1 3.58Å; I71-L81 HydrophobicContact CG1-CD1 4.41Å; Q77-L81 PolarHBondContact O-N 3.33Å; C78-L81 PolarHBondContact O-N 3Å; L81-K83 PolarHBondContact O-N 3.18Å; L81-L85 HydrophobicContact CD1-CD1 3.78Å; L81-L85 HydrophobicContact CD1-CG 4.22Å; L81-L85 HydrophobicContact CG-CD1 3.97Å; L81-L85 VanDerWaalsContact O-CB 3.32Å; L81-L85 WeakPolarHBondContact O-CB 3.31Å; L81-L85 VanDerWaalsContact O-CG 3.29Å; L81-L85 WeakPolarHBondContact O-CG 3.35Å; L81-L85 PolarHBondContact O-N 3.03Å; L81-L147 HydrophobicContact CD2-CD1 4.25Å
82	T	92.2	Very high	86	Confident	18 Å²	18	57.4 Å²	57.4	11%	0.11	31%	0.31	C	S	.	.	H	α-helix	trans	-66.1	-37.5	-179.6	53.1	0	0	0	0	112.3	C78 S79 N80 H86 F87 C150 F151	C78-T82 WeakPolarHBondContact O-CB 3.16Å; C78-T82 WeakPolarHBondContact O-CG2 3.28Å; C78-T82 PolarHBondContact O-N 2.7Å; C78-T82 PolarHBondContact O-OG1 2.94Å; S79-T82 PolarHBondContact O-OG1 3.47Å; N80-T82 PolarHBondContact O-N 3.46Å; T82-H86 PolarHBondContact O-N 3.3Å; T82-F87 PolarHBondContact O-N 2.97Å; T82-C150 HydrophobicContact CG2-CB 4.12Å; T82-F151 HydrophobicContact CG2-CD1 4.34Å; T82-F151 HydrophobicContact CG2-CE1 3.6Å; T82-F151 HydrophobicContact CG2-CZ 3.7Å
83	K	90.8	Very high	87.1	Confident	126 Å²	126	54 Å²	54	55%	0.548	30%	0.295	S	S	.	.	H	α-helix	trans	-66.2	-48.3	176	-174.1	-175.2	178.9	-176	0	112.3	S79 N80 L81 L85 H86	S79-K83 VanDerWaalsContact O-CB 3.24Å; S79-K83 WeakPolarHBondContact O-CB 3.33Å; S79-K83 PolarHBondContact O-N 3.4Å; N80-K83 PolarHBondContact O-N 3.43Å; L81-K83 PolarHBondContact O-N 3.18Å; K83-L85 VanDerWaalsContact C-N 3.32Å; K83-H86 PolarHBondContact O-N 3.07Å
84	E	88.1	Confident	88.5	Confident	93 Å²	93	55.6 Å²	55.6	44%	0.435	29%	0.292	S	S	.	.	H	α-helix	trans	-70.1	-30.1	-179.5	-72	-175.3	-133.8	0	0	112.4	Y70 N80 H86	Y70-E84 WeakPolarHBondContact OH-CB 3.4Å; Y70-E84 PolarHBondContact OH-OE2 3.47Å; N80-E84 WeakPolarHBondContact O-CB 3.48Å; N80-E84 WeakPolarHBondContact O-CG 3.5Å; N80-E84 PolarHBondContact O-N 2.92Å; E84-H86 PolarHBondContact O-CD2 2.84Å; E84-H86 PolarHBondContact O-N 2.88Å
85	L	91.3	Very high	90.5	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-0.6	170.5	-66.5	177.6	0	0	0	112.8	L63 Y70 L81 K83 F87 V115 R119 L147	L63-L85 HydrophobicContact CD2-CD2 3.8Å; Y70-L85 HydrophobicContact CD1-CD2 4.31Å; Y70-L85 HydrophobicContact CE1-CD2 4.03Å; Y70-L85 HydrophobicContact CE1-CG 4.24Å; L81-L85 HydrophobicContact CD1-CD1 3.78Å; L81-L85 HydrophobicContact CD1-CG 4.22Å; L81-L85 HydrophobicContact CG-CD1 3.97Å; L81-L85 VanDerWaalsContact O-CB 3.32Å; L81-L85 WeakPolarHBondContact O-CB 3.31Å; L81-L85 VanDerWaalsContact O-CG 3.29Å; L81-L85 WeakPolarHBondContact O-CG 3.35Å; L81-L85 PolarHBondContact O-N 3.03Å; K83-L85 VanDerWaalsContact C-N 3.32Å; L85-F87 HydrophobicContact CB-CD2 3.65Å; L85-F87 HydrophobicContact CB-CE2 3.59Å; L85-F87 HydrophobicContact CD1-CE2 3.96Å; L85-F87 HydrophobicContact CG-CE2 4.44Å; L85-V115 HydrophobicContact CD1-CG1 4.13Å; L85-V115 HydrophobicContact CD2-CG1 4.24Å; L85-R119 WeakPolarHBondContact O-CD 3.21Å; L85-R119 PolarHBondContact O-NH1 2.95Å; L85-L147 HydrophobicContact CD1-CD1 3.82Å
86	H	93.8	Very high	92.2	Very high	29 Å²	29	50 Å²	50	13%	0.134	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.2	39.5	177.6	-50.3	-78.9	0	0	0	114.5	T82 K83 E84 R391 S405 L407 L408 W409	T82-H86 PolarHBondContact O-N 3.3Å; K83-H86 PolarHBondContact O-N 3.07Å; E84-H86 PolarHBondContact O-CD2 2.84Å; E84-H86 PolarHBondContact O-N 2.88Å; H86-R391 PolarHBondContact O-NH1 3.02Å; H86-R391 PolarHBondContact O-NH2 3.26Å; H86-S405 WeakPolarHBondContact CA-O 3.43Å; H86-S405 WeakPolarHBondContact CB-O 3.38Å; H86-S405 PolarHBondContact ND1-O 2.83Å; H86-L407 PolarHBondContact CE1-O 2.87Å; H86-L407 PolarHBondContact ND1-O 3.46Å; H86-L408 HydrophobicContact CB-CD2 3.75Å; H86-W409 AromaticContact CE1-CD1 3.96Å; H86-W409 AromaticContact CE1-NE1 3.79Å
87	F	96.7	Very high	93.8	Very high	3 Å²	3	52.2 Å²	52.2	1%	0.013	27%	0.268	C	S	.	.			trans	-71.1	140.8	170.3	-79.1	-93.4	0	0	0	111	T82 L85 N89 L118 R119 Y122 L147 F151 W406	T82-F87 PolarHBondContact O-N 2.97Å; L85-F87 HydrophobicContact CB-CD2 3.65Å; L85-F87 HydrophobicContact CB-CE2 3.59Å; L85-F87 HydrophobicContact CD1-CE2 3.96Å; L85-F87 HydrophobicContact CG-CE2 4.44Å; F87-N89 PolarHBondContact O-N 3.07Å; F87-L118 HydrophobicContact CE1-CB 4.46Å; F87-L118 HydrophobicContact CE1-CD2 4.31Å; F87-L118 HydrophobicContact CE1-CG 4Å; F87-L118 HydrophobicContact CZ-CD2 4.35Å; F87-L118 HydrophobicContact CZ-CG 4.37Å; F87-R119 HydrophobicContact CD1-CB 4.31Å; F87-R119 VanDerWaalsContact CE1-CA 3.41Å; F87-R119 HydrophobicContact CE1-CB 3.91Å; F87-R119 HydrophobicContact CE2-CB 4.32Å; F87-R119 HydrophobicContact CZ-CB 3.91Å; F87-Y122 AromaticContact CD1-CD1 3.95Å; F87-Y122 HydrophobicContact CD1-CD1 3.95Å; F87-Y122 AromaticContact CD1-CG 3.89Å; F87-Y122 HydrophobicContact CD1-CG 3.89Å; F87-Y122 HydrophobicContact CE1-CG 4.34Å; F87-L147 HydrophobicContact CE2-CD1 4.37Å; F87-L147 HydrophobicContact CZ-CD1 4.47Å; F87-F151 HydrophobicContact CB-CE1 4.39Å; F87-F151 AromaticContact CD1-CE1 3.7Å; F87-F151 HydrophobicContact CD1-CE1 3.7Å; F87-F151 AromaticContact CD1-CZ 3.59Å; F87-F151 HydrophobicContact CD1-CZ 3.59Å; F87-F151 HydrophobicContact CD2-CE1 4.49Å; F87-F151 AromaticContact CD2-CZ 3.99Å; F87-F151 HydrophobicContact CD2-CZ 3.99Å; F87-F151 HydrophobicContact CE1-CE1 4.06Å; F87-F151 HydrophobicContact CE1-CE2 4.35Å; F87-F151 AromaticContact CE1-CZ 3.52Å; F87-F151 HydrophobicContact CE1-CZ 3.52Å; F87-F151 AromaticContact CE2-CZ 3.92Å; F87-F151 HydrophobicContact CE2-CZ 3.92Å; F87-F151 AromaticContact CG-CE1 3.94Å; F87-F151 HydrophobicContact CG-CE1 3.94Å; F87-F151 AromaticContact CG-CZ 3.83Å; F87-F151 HydrophobicContact CG-CZ 3.83Å; F87-F151 HydrophobicContact CZ-CE2 4.35Å; F87-F151 AromaticContact CZ-CZ 3.7Å; F87-F151 HydrophobicContact CZ-CZ 3.7Å; F87-W406 VanDerWaalsContact O-CD1 3.23Å
88	I	97.6	Very high	94.5	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.015	26%	0.259	C	S	.	.			trans	-82.3	113.3	170.9	-64.6	165.9	0	0	0	107.1	T90 L92 Y122 M123 V394 L395 W406	I88-T90 WeakPolarHBondContact CG2-O 3.35Å; I88-L92 HydrophobicContact CD1-CD1 4.28Å; I88-L92 HydrophobicContact CG2-CD1 4.29Å; I88-L92 HydrophobicContact CG2-CD2 3.81Å; I88-L92 HydrophobicContact CG2-CG 4.05Å; I88-Y122 WeakPolarHBondContact O-CD1 3.12Å; I88-Y122 WeakPolarHBondContact O-CE1 3.46Å; I88-M123 HydrophobicContact CD1-CE 4.13Å; I88-M123 HydrophobicContact CG2-CE 4.46Å; I88-M123 HydrophobicContact CG2-SD 4.01Å; I88-V394 HydrophobicContact CD1-CG1 3.83Å; I88-L395 HydrophobicContact CD1-CD2 4.17Å; I88-W406 HydrophobicContact CG1-CB 4.1Å; I88-W406 HydrophobicContact CG1-CD2 4.28Å; I88-W406 HydrophobicContact CG1-CG 3.99Å; I88-W406 HydrophobicContact CG2-CD2 4.34Å
89	N	95	Very high	94.9	Very high	91 Å²	91	48.3 Å²	48.3	49%	0.487	25%	0.247	S	C	.	.			trans	-104.6	8.4	-173.8	64.3	-20.4	0	0	0	113.9	F87 W406	F87-N89 PolarHBondContact O-N 3.07Å; N89-W406 PolarHBondContact OD1-NE1 3.34Å
90	T	97.6	Very high	95.5	Very high	64 Å²	64	46 Å²	46	39%	0.393	23%	0.23	S	C	.	.	S	Bend	trans	-130.8	140.4	178.9	-55.5	0	0	0	0	109.5	I88 L92	I88-T90 WeakPolarHBondContact CG2-O 3.35Å; T90-L92 PolarHBondContact O-N 3.21Å
91	T	98.3	Very high	96	Very high	29 Å²	29	42.8 Å²	42.8	18%	0.178	21%	0.213	C	C	.	.			trans	-61.9	131.3	172.5	-49.1	0	0	0	0	110.1	S93 E96 E97 Q125	T91-S93 WeakPolarHBondContact CG2-O 3.37Å; T91-E96 HydrophobicContact CG2-CB 4.42Å; T91-E97 HydrophobicContact CG2-CB 3.78Å; T91-E97 HydrophobicContact CG2-CG 4.35Å; T91-Q125 HydrophobicContact CG2-CG 4.46Å; T91-Q125 PolarHBondContact OG1-OE1 2.56Å
92	L	98.5	Very high	96.4	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.01	21%	0.213	C	C	.	.			trans	-89	-17.5	-171.1	-61.2	-176.2	0	0	0	114.3	I88 T90 M123 V394 A398 T399 V400 W406	I88-L92 HydrophobicContact CD1-CD1 4.28Å; I88-L92 HydrophobicContact CG2-CD1 4.29Å; I88-L92 HydrophobicContact CG2-CD2 3.81Å; I88-L92 HydrophobicContact CG2-CG 4.05Å; T90-L92 PolarHBondContact O-N 3.21Å; L92-M123 HydrophobicContact CD1-CE 3.78Å; L92-M123 HydrophobicContact CD1-SD 4.41Å; L92-M123 HydrophobicContact CG-CE 4.32Å; L92-M123 HydrophobicContact CG-SD 4.32Å; L92-V394 HydrophobicContact CD1-CG1 3.49Å; L92-V394 VanDerWaalsContact CD1-CG1 3.49Å; L92-A398 HydrophobicContact CB-CB 4.11Å; L92-A398 HydrophobicContact CD1-CB 4.33Å; L92-A398 HydrophobicContact CD2-CB 4.08Å; L92-A398 HydrophobicContact CG-CB 4.41Å; L92-T399 PolarHBondContact O-N 3.43Å; L92-T399 PolarHBondContact O-OG1 2.78Å; L92-V400 HydrophobicContact CD2-CG2 3.85Å; L92-W406 HydrophobicContact CD2-CE3 4.29Å; L92-W406 HydrophobicContact CD2-CH2 4.17Å; L92-W406 HydrophobicContact CD2-CZ3 3.72Å
93	S	98.4	Very high	96.8	Very high	10 Å²	10	41.8 Å²	41.8	7%	0.07	21%	0.207	C	C	.	.			trans	-156.4	155.6	176.2	69	0	0	0	0	113	T91 E95 E96 E97 T399	T91-S93 WeakPolarHBondContact CG2-O 3.37Å; S93-E95 PolarHBondContact O-N 3.34Å; S93-E96 WeakPolarHBondContact CB-OE2 3.43Å; S93-E96 PolarHBondContact N-OE2 3.3Å; S93-E96 PolarHBondContact O-N 3.45Å; S93-E96 WeakPolarHBondContact OG-CB 3.05Å; S93-E96 WeakPolarHBondContact OG-CG 3.04Å; S93-E96 PolarHBondContact OG-N 2.96Å; S93-E96 PolarHBondContact OG-OE2 3.16Å; S93-E97 PolarHBondContact O-N 3.47Å; S93-T399 WeakPolarHBondContact CA-OG1 3.46Å
94	H	98.3	Very high	97.2	Very high	123 Å²	123	35.8 Å²	35.8	57%	0.569	18%	0.181	S	C	*	.	H	α-helix	trans	-65.7	-29.1	176	-169.8	58.1	0	0	0	112.6	E97 N98	H94-E97 IonicContact ND1-OE2 3.16Å; H94-E97 PolarHBondContact ND1-OE2 2.94Å; H94-E97 PolarHBondContact O-N 3.47Å; H94-N98 PolarHBondContact CD2-ND2 3.2Å; H94-N98 PolarHBondContact CE1-ND2 3.09Å; H94-N98 PolarHBondContact NE2-ND2 3.47Å; H94-N98 PolarHBondContact O-N 2.64Å; H94-N98 PolarHBondContact O-ND2 3.38Å
95	E	98.4	Very high	97.7	Very high	75 Å²	75	31.4 Å²	31.4	35%	0.35	16%	0.161	S	C	.	.	H	α-helix	trans	-63.6	-45.3	174.7	-175.3	174.9	-179.3	0	0	111	S93 N98 Y99 L205 V208 Q209 Q212	S93-E95 PolarHBondContact O-N 3.34Å; E95-N98 PolarHBondContact O-N 2.9Å; E95-Y99 PolarHBondContact O-N 3.28Å; E95-L205 HydrophobicContact CB-CD1 4.06Å; E95-L205 HydrophobicContact CG-CD1 4.15Å; E95-L205 WeakPolarHBondContact OE2-CD1 3.5Å; E95-V208 HydrophobicContact CG-CG1 3.96Å; E95-Q209 WeakPolarHBondContact OE1-CG 3.26Å; E95-Q209 PolarHBondContact OE2-NE2 2.87Å; E95-Q212 PolarHBondContact OE1-NE2 2.73Å
96	E	98.6	Very high	98	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.019	17%	0.165	C	C	.	.	H	α-helix	trans	-67.7	-36	177	-69.3	170.7	98.1	0	0	112.7	T91 S93 N98 Y99 Q125 N204 L205 V208	T91-E96 HydrophobicContact CG2-CB 4.42Å; S93-E96 WeakPolarHBondContact CB-OE2 3.43Å; S93-E96 PolarHBondContact N-OE2 3.3Å; S93-E96 PolarHBondContact O-N 3.45Å; S93-E96 WeakPolarHBondContact OG-CB 3.05Å; S93-E96 WeakPolarHBondContact OG-CG 3.04Å; S93-E96 PolarHBondContact OG-N 2.96Å; S93-E96 PolarHBondContact OG-OE2 3.16Å; E96-N98 VanDerWaalsContact C-N 3.32Å; E96-N98 PolarHBondContact O-N 3.49Å; E96-Y99 PolarHBondContact O-N 3.11Å; E96-Q125 WeakPolarHBondContact O-CG 3.24Å; E96-Q125 PolarHBondContact O-NE2 3.49Å; E96-N204 WeakPolarHBondContact CG-ND2 3.44Å; E96-N204 WeakPolarHBondContact OE1-CB 3.45Å; E96-N204 PolarHBondContact OE1-ND2 3.12Å; E96-L205 HydrophobicContact CG-CB 3.93Å; E96-L205 HydrophobicContact CG-CD1 3.89Å; E96-L205 PolarHBondContact OE1-N 2.76Å; E96-V208 HydrophobicContact CG-CG2 4.48Å
97	E	98.4	Very high	98.2	Very high	99 Å²	99	30.8 Å²	30.8	46%	0.463	16%	0.159	S	C	.	.	H	α-helix	trans	-59.4	-42.6	176.5	-166.2	175.1	-157.5	0	0	112.3	T91 S93 H94 Y99	T91-E97 HydrophobicContact CG2-CB 3.78Å; T91-E97 HydrophobicContact CG2-CG 4.35Å; S93-E97 PolarHBondContact O-N 3.47Å; H94-E97 IonicContact ND1-OE2 3.16Å; H94-E97 PolarHBondContact ND1-OE2 2.94Å; H94-E97 PolarHBondContact O-N 3.47Å; E97-Y99 VanDerWaalsContact C-N 3.31Å; E97-Y99 PolarHBondContact O-N 3.47Å
98	N	98.4	Very high	98.2	Very high	87 Å²	87	34.9 Å²	34.9	47%	0.465	18%	0.178	S	C	.	.	H	α-helix	trans	-81.4	-8.2	-175	-71.3	-43.2	0	0	0	114.3	H94 E95 E96 P100	H94-N98 PolarHBondContact CD2-ND2 3.2Å; H94-N98 PolarHBondContact CE1-ND2 3.09Å; H94-N98 PolarHBondContact NE2-ND2 3.47Å; H94-N98 PolarHBondContact O-N 2.64Å; H94-N98 PolarHBondContact O-ND2 3.38Å; E95-N98 PolarHBondContact O-N 2.9Å; E96-N98 VanDerWaalsContact C-N 3.32Å; E96-N98 PolarHBondContact O-N 3.49Å; N98-P100 VanDerWaalsContact C-CD 3.47Å
99	Y	98.6	Very high	97.9	Very high	21 Å²	21	38.5 Å²	38.5	8%	0.082	19%	0.194	C	C	.	.	S	Bend	trans	-127.3	68	178.7	-155.8	-85.9	0	0	0	112	E95 E96 E97 L101 R189 K190 V208 M211 Q212	E95-Y99 PolarHBondContact O-N 3.28Å; E96-Y99 PolarHBondContact O-N 3.11Å; E97-Y99 VanDerWaalsContact C-N 3.31Å; E97-Y99 PolarHBondContact O-N 3.47Å; Y99-L101 HydrophobicContact CD1-CD2 3.68Å; Y99-L101 HydrophobicContact CE1-CD2 3.67Å; Y99-L101 PolarHBondContact O-N 2.05Å; Y99-R189 HydrophobicContact CD1-CB 4Å; Y99-R189 HydrophobicContact CD1-CG 4.07Å; Y99-R189 HydrophobicContact CD2-CB 4.27Å; Y99-R189 HydrophobicContact CD2-CG 3.79Å; Y99-R189 HydrophobicContact CE1-CB 3.56Å; Y99-R189 HydrophobicContact CE1-CG 4.08Å; Y99-R189 HydrophobicContact CE2-CB 3.84Å; Y99-R189 HydrophobicContact CE2-CG 3.8Å; Y99-R189 HydrophobicContact CG-CB 4.34Å; Y99-R189 HydrophobicContact CG-CG 3.93Å; Y99-R189 VanDerWaalsContact CZ-CB 3.47Å; Y99-K190 WeakPolarHBondContact OH-CE 3.36Å; Y99-V208 HydrophobicContact CD1-CB 4.5Å; Y99-V208 HydrophobicContact CD1-CG1 4.25Å; Y99-V208 HydrophobicContact CD1-CG2 4.16Å; Y99-V208 HydrophobicContact CG-CG1 4.08Å; Y99-M211 HydrophobicContact CE1-CB 3.96Å; Y99-M211 HydrophobicContact CE1-SD 4.37Å; Y99-Q212 VanDerWaalsContact CD2-CD 3.45Å; Y99-Q212 HydrophobicContact CD2-CG 3.47Å; Y99-Q212 VanDerWaalsContact CD2-CG 3.47Å; Y99-Q212 HydrophobicContact CE1-CG 4.45Å; Y99-Q212 HydrophobicContact CE2-CG 3.36Å; Y99-Q212 HydrophobicContact CG-CG 4.09Å
100	P	98.7	Very high	97.8	Very high	19 Å²	19	36 Å²	36	12%	0.123	18%	0.179	C	C	.	.			trans	-58.9	133	177.5	-25.5	36.4	0	0	0	112.3	N98 Q125 I186 W188 R189	N98-P100 VanDerWaalsContact C-CD 3.47Å; P100-Q125 WeakPolarHBondContact CB-O 3.18Å; P100-I186 HydrophobicContact CB-CG2 3.86Å; P100-I186 HydrophobicContact CG-CG2 4.47Å; P100-W188 HydrophobicContact CB-CB 4.44Å; P100-W188 CarbonylContact O-C 3.51Å; P100-W188 VanDerWaalsContact O-CA 3.26Å; P100-W188 WeakPolarHBondContact O-CA 3.43Å; P100-R189 PolarHBondContact O-N 3.06Å
101	L	98.9	Very high	97.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	150.5	174.6	-60	-178.3	0	0	0	110.7	Y99 F103 N126 V127 L207 V208 M211	Y99-L101 HydrophobicContact CD1-CD2 3.68Å; Y99-L101 HydrophobicContact CE1-CD2 3.67Å; Y99-L101 PolarHBondContact O-N 2.05Å; L101-F103 HydrophobicContact CB-CE2 3.74Å; L101-F103 HydrophobicContact CB-CZ 4.13Å; L101-F103 HydrophobicContact CD1-CZ 4.15Å; L101-N126 PolarHBondContact N-OD1 3.45Å; L101-N126 CarbonylContact O-C 3.6Å; L101-N126 VanDerWaalsContact O-CA 3.31Å; L101-N126 WeakPolarHBondContact O-CA 3.05Å; L101-N126 VanDerWaalsContact O-CB 3.3Å; L101-N126 WeakPolarHBondContact O-CB 3.43Å; L101-V127 PolarHBondContact O-N 2.82Å; L101-L207 HydrophobicContact CD1-CB 3.83Å; L101-L207 HydrophobicContact CD1-CD1 4.29Å; L101-V208 HydrophobicContact CD1-CG2 4.18Å; L101-V208 HydrophobicContact CG-CG2 4.31Å; L101-M211 HydrophobicContact CD1-SD 4.38Å; L101-M211 HydrophobicContact CD2-SD 3.46Å; L101-M211 WeakPolarHBondContact CD2-SD 3.28Å
102	A	98.9	Very high	97.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	146.5	168.1	0	0	0	0	0	110.9	V127 L181 W188 K190 V191 I192	A102-V127 CarbonylContact C-O 3.37Å; A102-V127 VanDerWaalsContact CA-O 3.27Å; A102-V127 WeakPolarHBondContact CA-O 3.46Å; A102-V127 HydrophobicContact CB-CG1 3.63Å; A102-L181 HydrophobicContact CB-CD1 4.16Å; A102-L181 HydrophobicContact CB-CD2 4.01Å; A102-W188 HydrophobicContact CB-CB 4.01Å; A102-W188 HydrophobicContact CB-CD2 3.57Å; A102-W188 HydrophobicContact CB-CE3 3.77Å; A102-W188 HydrophobicContact CB-CG 3.68Å; A102-W188 HydrophobicContact CB-CZ3 4.44Å; A102-K190 PolarHBondContact N-O 2.96Å; A102-V191 HydrophobicContact CB-CB 3.87Å; A102-V191 HydrophobicContact CB-CG2 3.88Å; A102-V191 CarbonylContact O-C 3.56Å; A102-V191 VanDerWaalsContact O-CA 3.26Å; A102-V191 WeakPolarHBondContact O-CA 3.16Å; A102-I192 PolarHBondContact O-N 3.2Å
103	F	98.9	Very high	97	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	136	175.4	-64.9	-90.9	0	0	0	110.7	L101 V105 I121 N126 V127 Y128 C129 I192 L194 L207 F370	L101-F103 HydrophobicContact CB-CE2 3.74Å; L101-F103 HydrophobicContact CB-CZ 4.13Å; L101-F103 HydrophobicContact CD1-CZ 4.15Å; F103-V105 HydrophobicContact CB-CG2 4.38Å; F103-I121 HydrophobicContact CD1-CD1 4.14Å; F103-I121 HydrophobicContact CG-CD1 4.25Å; F103-N126 HydrophobicContact CE2-CB 4.4Å; F103-V127 PolarHBondContact N-O 2.85Å; F103-Y128 HydrophobicContact CB-CD1 3.65Å; F103-Y128 HydrophobicContact CB-CE1 4.13Å; F103-Y128 HydrophobicContact CB-CG 4.47Å; F103-Y128 AromaticContact CD2-CD1 3.62Å; F103-Y128 HydrophobicContact CD2-CD1 3.62Å; F103-Y128 AromaticContact CD2-CE1 3.21Å; F103-Y128 HydrophobicContact CD2-CE1 3.21Å; F103-Y128 AromaticContact CD2-CZ 3.88Å; F103-Y128 AromaticContact CE2-CE1 3.76Å; F103-Y128 HydrophobicContact CE2-CE1 3.76Å; F103-Y128 AromaticContact CG-CD1 3.87Å; F103-Y128 HydrophobicContact CG-CD1 3.87Å; F103-Y128 AromaticContact CG-CE1 3.8Å; F103-Y128 HydrophobicContact CG-CE1 3.8Å; F103-C129 PolarHBondContact O-N 2.84Å; F103-I192 CarbonylContact C-O 3.44Å; F103-I192 WeakPolarHBondContact CA-O 3.31Å; F103-I192 HydrophobicContact CD1-CB 4.12Å; F103-I192 HydrophobicContact CD1-CD1 4.37Å; F103-I192 HydrophobicContact CE1-CB 4.21Å; F103-I192 HydrophobicContact CE1-CD1 3.62Å; F103-I192 HydrophobicContact CE1-CG1 4.47Å; F103-I192 HydrophobicContact CZ-CD1 4.11Å; F103-L194 HydrophobicContact CD1-CD1 4.06Å; F103-L207 HydrophobicContact CE1-CD1 4.47Å; F103-L207 HydrophobicContact CZ-CD1 4.25Å; F103-F370 HydrophobicContact CE1-CZ 4.01Å
104	I	98.9	Very high	96.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	122	166.7	-61	177.9	0	0	0	106.7	C129 D174 C177 M178 L181 V191 I192 N193 L194	I104-C129 WeakPolarHBondContact CA-O 3.2Å; I104-D174 WeakPolarHBondContact CG2-OD1 3.46Å; I104-C177 HydrophobicContact CB-CB 4.31Å; I104-C177 HydrophobicContact CD1-CB 3.93Å; I104-C177 HydrophobicContact CG1-CB 3.79Å; I104-C177 HydrophobicContact CG2-CB 3.72Å; I104-M178 HydrophobicContact CD1-CE 4.3Å; I104-M178 HydrophobicContact CD1-CG 3.72Å; I104-L181 HydrophobicContact CD1-CD1 4.04Å; I104-L181 HydrophobicContact CG1-CD1 3.53Å; I104-V191 HydrophobicContact CD1-CG2 3.86Å; I104-V191 HydrophobicContact CG1-CG2 3.68Å; I104-I192 PolarHBondContact N-O 3.49Å; I104-N193 HydrophobicContact CB-CB 4.13Å; I104-N193 CarbonylContact O-C 3.6Å; I104-N193 WeakPolarHBondContact O-CA 3.33Å; I104-L194 PolarHBondContact O-N 3.01Å
105	V	98.8	Very high	96.8	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.006	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	109.3	-179	-166.7	0	0	0	0	109.2	F103 I107 F114 M117 I121 C129 I130 H131 L194	F103-V105 HydrophobicContact CB-CG2 4.38Å; V105-I107 HydrophobicContact CG1-CG2 3.76Å; V105-F114 HydrophobicContact CG1-CD2 4.33Å; V105-F114 HydrophobicContact CG1-CE2 4.26Å; V105-M117 HydrophobicContact CG1-CE 3.29Å; V105-M117 HydrophobicContact CG1-SD 4.36Å; V105-I121 HydrophobicContact CG2-CD1 4.39Å; V105-C129 PolarHBondContact N-O 3.17Å; V105-I130 HydrophobicContact CB-CD1 3.74Å; V105-I130 HydrophobicContact CG2-CD1 3.78Å; V105-I130 WeakPolarHBondContact O-CA 3.3Å; V105-H131 PolarHBondContact O-N 2.86Å; V105-L194 HydrophobicContact CG1-CB 4.4Å; V105-L194 HydrophobicContact CG2-CB 4.46Å; V105-L194 HydrophobicContact CG2-CD1 4.34Å
106	T	98.4	Very high	96.7	Very high	14 Å²	14	25.1 Å²	25.1	9%	0.086	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	115.7	179.4	-58.8	0	0	0	0	110.6	H131 A173 D174 L194 C195 G196	T106-H131 WeakPolarHBondContact CA-O 3.49Å; T106-A173 HydrophobicContact CG2-CB 4.42Å; T106-D174 PolarHBondContact OG1-OD1 2.94Å; T106-L194 PolarHBondContact N-O 3.35Å; T106-C195 CarbonylContact O-C 3.52Å; T106-C195 WeakPolarHBondContact O-CA 3.01Å; T106-G196 PolarHBondContact O-N 2.82Å
107	I	98.1	Very high	96.7	Very high	1 Å²	1	25 Å²	25	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	153.7	-172.7	67.8	-178.5	0	0	0	112.5	V105 F114 I130 H131 V132 D133 Y140 V144	V105-I107 HydrophobicContact CG1-CG2 3.76Å; I107-F114 HydrophobicContact CD1-CB 4.36Å; I107-F114 HydrophobicContact CD1-CD1 3.82Å; I107-F114 HydrophobicContact CD1-CD2 3.66Å; I107-F114 HydrophobicContact CD1-CE1 3.97Å; I107-F114 HydrophobicContact CD1-CE2 3.83Å; I107-F114 HydrophobicContact CD1-CG 3.65Å; I107-F114 HydrophobicContact CD1-CZ 3.97Å; I107-F114 HydrophobicContact CG2-CD2 3.9Å; I107-F114 HydrophobicContact CG2-CG 4.43Å; I107-I130 HydrophobicContact CD1-CG2 3.68Å; I107-I130 HydrophobicContact CG1-CG2 4.17Å; I107-H131 PolarHBondContact N-O 2.65Å; I107-V132 HydrophobicContact CD1-CG2 4.17Å; I107-V132 HydrophobicContact CG1-CG2 4.07Å; I107-V132 WeakPolarHBondContact O-CA 3.39Å; I107-D133 PolarHBondContact O-N 2.79Å; I107-Y140 WeakPolarHBondContact CB-OH 3.35Å; I107-Y140 HydrophobicContact CD1-CE1 4.25Å; I107-Y140 WeakPolarHBondContact CD1-OH 2.91Å; I107-Y140 HydrophobicContact CG1-CE1 4.21Å; I107-V144 HydrophobicContact CD1-CG1 4.07Å; I107-V144 HydrophobicContact CD1-CG2 3.89Å
108	H	95.5	Very high	96.7	Very high	90 Å²	90	20.2 Å²	20.2	42%	0.417	10%	0.1	S	C	.	.	S	Bend	trans	-147.8	-7.9	178.1	65.7	-82.7	0	0	0	114.5	D133	H108-D133 HydrophobicContact CB-CB 3.61Å
109	K	92.8	Very high	96.6	Very high	79 Å²	79	16.3 Å²	16.3	34%	0.343	8%	0.079	S	C	.	.	S	Bend	trans	-164.2	-178	-177.1	65.7	175.4	-179.2	139.3	0	111.6	Y140	K109-Y140 PolarHBondContact N-OH 2.9Å; K109-Y140 WeakPolarHBondContact O-CE2 3.46Å; K109-Y140 PolarHBondContact O-OH 3.34Å
110	E	91.6	Very high	96.6	Very high	38 Å²	38	15.8 Å²	15.8	18%	0.178	8%	0.079	C	C	.	.			trans	54.5	65.4	171.5	-69.8	175.3	-143.6	0	0	113	D112 I113 F114	E110-D112 PolarHBondContact O-N 3.42Å; E110-I113 HydrophobicContact CB-CB 4.49Å; E110-I113 HydrophobicContact CB-CD1 4.25Å; E110-I113 HydrophobicContact CB-CG1 4.28Å; E110-I113 PolarHBondContact O-N 3.11Å; E110-I113 VanDerWaalsContact O-N 3.08Å; E110-I113 WeakPolarHBondContact OE2-CD1 3.31Å; E110-F114 PolarHBondContact O-N 2.8Å
111	L	92.9	Very high	96.6	Very high	17 Å²	17	15.2 Å²	15.2	9%	0.089	7%	0.074	C	C	.	.	H	α-helix	trans	-54.3	-40.9	-173.9	-177.7	64.2	0	0	0	112	G68 I71 I113 F114 V115 Y140 A143 V144	G68-L111 VanDerWaalsContact CA-CD2 3.42Å; I71-L111 HydrophobicContact CD1-CD2 4.2Å; L111-I113 VanDerWaalsContact C-N 3.31Å; L111-I113 PolarHBondContact O-N 2.92Å; L111-F114 HydrophobicContact CD1-CD1 4.14Å; L111-F114 WeakPolarHBondContact O-CB 3.14Å; L111-F114 PolarHBondContact O-N 3.3Å; L111-F114 VanDerWaalsContact O-N 3.1Å; L111-V115 HydrophobicContact CD1-CG2 4.32Å; L111-V115 HydrophobicContact CG-CG2 4.26Å; L111-V115 WeakPolarHBondContact O-CG2 3.15Å; L111-V115 PolarHBondContact O-N 2.99Å; L111-Y140 HydrophobicContact CB-CD2 4.09Å; L111-Y140 HydrophobicContact CB-CE2 3.84Å; L111-Y140 HydrophobicContact CD1-CE2 4.27Å; L111-A143 HydrophobicContact CD1-CB 4.45Å; L111-A143 HydrophobicContact CD2-CB 3.65Å; L111-V144 HydrophobicContact CD1-CG2 3.8Å
112	D	91.7	Very high	96.6	Very high	52 Å²	52	16.1 Å²	16.1	28%	0.278	8%	0.078	S	C	.	.	H	α-helix	trans	-57.2	-42.7	180	-62.7	16.6	0	0	0	112.1	V67 E110 V115 R116 I376	V67-D112 VanDerWaalsContact CB-OD1 3.26Å; V67-D112 WeakPolarHBondContact CB-OD1 3.3Å; V67-D112 HydrophobicContact CG2-CB 4.22Å; V67-D112 VanDerWaalsContact CG2-CG 3.44Å; V67-D112 WeakPolarHBondContact CG2-OD1 3.18Å; E110-D112 PolarHBondContact O-N 3.42Å; D112-V115 PolarHBondContact O-N 3.42Å; D112-R116 WeakPolarHBondContact O-CD 3.27Å; D112-R116 WeakPolarHBondContact O-CG 3.41Å; D112-R116 PolarHBondContact O-N 2.89Å; D112-R116 VanDerWaalsContact O-N 3.08Å; D112-I376 HydrophobicContact CB-CD1 4.06Å
113	I	93.3	Very high	96.6	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-67.3	-42.4	177.2	-57.1	-173	0	0	0	110	E110 L111 V115 R116 M117 G196 I376 L383	E110-I113 HydrophobicContact CB-CB 4.49Å; E110-I113 HydrophobicContact CB-CD1 4.25Å; E110-I113 HydrophobicContact CB-CG1 4.28Å; E110-I113 PolarHBondContact O-N 3.11Å; E110-I113 VanDerWaalsContact O-N 3.08Å; E110-I113 WeakPolarHBondContact OE2-CD1 3.31Å; L111-I113 VanDerWaalsContact C-N 3.31Å; L111-I113 PolarHBondContact O-N 2.92Å; I113-V115 PolarHBondContact O-N 3.46Å; I113-R116 PolarHBondContact O-N 3.06Å; I113-M117 VanDerWaalsContact O-CB 3.3Å; I113-M117 WeakPolarHBondContact O-CB 3.41Å; I113-M117 PolarHBondContact O-N 3.17Å; I113-G196 VanDerWaalsContact CG2-O 3.3Å; I113-G196 WeakPolarHBondContact CG2-O 3.2Å; I113-I376 HydrophobicContact CD1-CB 4.13Å; I113-I376 HydrophobicContact CD1-CG2 4.14Å; I113-I376 HydrophobicContact CG1-CB 3.98Å; I113-I376 HydrophobicContact CG1-CG2 3.92Å; I113-L383 HydrophobicContact CG1-CD2 4.09Å; I113-L383 HydrophobicContact CG2-CD2 4.4Å
114	F	96.8	Very high	96.6	Very high	1 Å²	1	18 Å²	18	0%	0.004	9%	0.09	C	C	.	.	H	α-helix	trans	-59.1	-46.5	176.2	169.8	-115.4	0	0	0	112.1	V105 I107 E110 L111 R116 M117 L118 I130 V144 L147 V148	V105-F114 HydrophobicContact CG1-CD2 4.33Å; V105-F114 HydrophobicContact CG1-CE2 4.26Å; I107-F114 HydrophobicContact CD1-CB 4.36Å; I107-F114 HydrophobicContact CD1-CD1 3.82Å; I107-F114 HydrophobicContact CD1-CD2 3.66Å; I107-F114 HydrophobicContact CD1-CE1 3.97Å; I107-F114 HydrophobicContact CD1-CE2 3.83Å; I107-F114 HydrophobicContact CD1-CG 3.65Å; I107-F114 HydrophobicContact CD1-CZ 3.97Å; I107-F114 HydrophobicContact CG2-CD2 3.9Å; I107-F114 HydrophobicContact CG2-CG 4.43Å; E110-F114 PolarHBondContact O-N 2.8Å; L111-F114 HydrophobicContact CD1-CD1 4.14Å; L111-F114 WeakPolarHBondContact O-CB 3.14Å; L111-F114 PolarHBondContact O-N 3.3Å; L111-F114 VanDerWaalsContact O-N 3.1Å; F114-R116 VanDerWaalsContact C-N 3.34Å; F114-R116 PolarHBondContact O-N 3.2Å; F114-M117 HydrophobicContact CD2-CE 4.09Å; F114-M117 PolarHBondContact O-N 3.1Å; F114-L118 HydrophobicContact CE1-CD2 4.44Å; F114-L118 HydrophobicContact CE2-CB 4.25Å; F114-L118 HydrophobicContact CE2-CD2 4.45Å; F114-L118 HydrophobicContact CZ-CB 4.48Å; F114-L118 HydrophobicContact CZ-CD2 3.93Å; F114-L118 VanDerWaalsContact O-CB 3.32Å; F114-L118 WeakPolarHBondContact O-CB 3.31Å; F114-L118 PolarHBondContact O-N 2.85Å; F114-I130 HydrophobicContact CE2-CD1 4Å; F114-I130 HydrophobicContact CE2-CG1 4.49Å; F114-I130 HydrophobicContact CE2-CG2 4.04Å; F114-I130 HydrophobicContact CZ-CD1 4.16Å; F114-I130 HydrophobicContact CZ-CG1 4.21Å; F114-I130 HydrophobicContact CZ-CG2 3.9Å; F114-V144 HydrophobicContact CD1-CG2 4.16Å; F114-V144 HydrophobicContact CE1-CB 4.49Å; F114-V144 HydrophobicContact CE1-CG1 3.85Å; F114-V144 HydrophobicContact CE1-CG2 4.15Å; F114-V144 HydrophobicContact CZ-CG1 4.27Å; F114-L147 HydrophobicContact CD1-CD2 4.46Å; F114-L147 HydrophobicContact CE1-CD2 4.03Å; F114-V148 HydrophobicContact CZ-CG1 4.41Å
115	V	96.1	Very high	96.5	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60.4	-45.1	178.2	177.6	0	0	0	0	111.2	V67 I71 L85 L111 D112 I113 R119 L147	V67-V115 HydrophobicContact CG1-CB 4.29Å; V67-V115 HydrophobicContact CG1-CG1 4.44Å; V67-V115 HydrophobicContact CG1-CG2 3.68Å; I71-V115 HydrophobicContact CD1-CG2 3.99Å; L85-V115 HydrophobicContact CD1-CG1 4.13Å; L85-V115 HydrophobicContact CD2-CG1 4.24Å; L111-V115 HydrophobicContact CD1-CG2 4.32Å; L111-V115 HydrophobicContact CG-CG2 4.26Å; L111-V115 WeakPolarHBondContact O-CG2 3.15Å; L111-V115 PolarHBondContact O-N 2.99Å; D112-V115 PolarHBondContact O-N 3.42Å; I113-V115 PolarHBondContact O-N 3.46Å; V115-R119 WeakPolarHBondContact O-CB 3.4Å; V115-R119 PolarHBondContact O-N 2.76Å; V115-L147 HydrophobicContact CB-CD2 4.43Å; V115-L147 HydrophobicContact CG1-CD2 4.48Å; V115-L147 HydrophobicContact CG2-CD2 3.66Å
116	R	96.1	Very high	96.5	Very high	4 Å²	4	19 Å²	19	2%	0.015	10%	0.095	C	C	.	.	H	α-helix	trans	-65.8	-44.4	179.4	-65.7	171.2	72.5	166.5	8.6	111.9	L63 D112 I113 F114 R119 A120 F199 L383 D384 E387	L63-R116 HydrophobicContact CD1-CG 3.6Å; D112-R116 WeakPolarHBondContact O-CD 3.27Å; D112-R116 WeakPolarHBondContact O-CG 3.41Å; D112-R116 PolarHBondContact O-N 2.89Å; D112-R116 VanDerWaalsContact O-N 3.08Å; I113-R116 PolarHBondContact O-N 3.06Å; F114-R116 VanDerWaalsContact C-N 3.34Å; F114-R116 PolarHBondContact O-N 3.2Å; R116-R119 PolarHBondContact O-N 3.07Å; R116-A120 WeakPolarHBondContact O-CB 3.24Å; R116-A120 PolarHBondContact O-N 3.39Å; R116-F199 HydrophobicContact CB-CE2 4.02Å; R116-L383 VanDerWaalsContact CZ-CG 3.49Å; R116-L383 VanDerWaalsContact NH2-C 3.3Å; R116-L383 PolarHBondContact NH2-O 3.23Å; R116-D384 IonicContact CZ-OD1 2.66Å; R116-D384 IonicContact NH1-OD1 2.99Å; R116-D384 PolarHBondContact NH1-OD1 3.19Å; R116-D384 VanDerWaalsContact NH2-CA 3.26Å; R116-D384 IonicContact NH2-OD1 3.8Å; R116-D384 PolarHBondContact NH2-OD1 3.34Å; R116-E387 IonicContact CZ-OE2 3.7Å; R116-E387 IonicContact NE-OE2 2.61Å; R116-E387 PolarHBondContact NE-OE2 2.99Å; R116-E387 IonicContact NH2-OE2 3.38Å; R116-E387 PolarHBondContact NH2-OE2 3.41Å
117	M	97.9	Very high	96.6	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-61.5	-51.5	176.1	176.8	180	52.5	0	0	110.4	V105 I113 F114 R119 A120 I121 L194 D198 F199	V105-M117 HydrophobicContact CG1-CE 3.29Å; V105-M117 HydrophobicContact CG1-SD 4.36Å; I113-M117 VanDerWaalsContact O-CB 3.3Å; I113-M117 WeakPolarHBondContact O-CB 3.41Å; I113-M117 PolarHBondContact O-N 3.17Å; F114-M117 HydrophobicContact CD2-CE 4.09Å; F114-M117 PolarHBondContact O-N 3.1Å; M117-R119 VanDerWaalsContact C-N 3.3Å; M117-R119 PolarHBondContact O-N 2.83Å; M117-A120 PolarHBondContact O-N 2.88Å; M117-I121 WeakPolarHBondContact O-CG1 3.39Å; M117-I121 PolarHBondContact O-N 2.85Å; M117-L194 HydrophobicContact SD-CB 4.23Å; M117-L194 HydrophobicContact SD-CD1 4.02Å; M117-D198 HydrophobicContact SD-CB 4.17Å; M117-D198 VanDerWaalsContact SD-O 3.37Å; M117-F199 HydrophobicContact CB-CD2 4.41Å
118	L	98.5	Very high	96.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-57.6	-46.1	178.8	-175	63.3	0	0	0	110.2	F87 F114 A120 I121 Y122 Y128 L147 F151	F87-L118 HydrophobicContact CE1-CB 4.46Å; F87-L118 HydrophobicContact CE1-CD2 4.31Å; F87-L118 HydrophobicContact CE1-CG 4Å; F87-L118 HydrophobicContact CZ-CD2 4.35Å; F87-L118 HydrophobicContact CZ-CG 4.37Å; F114-L118 HydrophobicContact CE1-CD2 4.44Å; F114-L118 HydrophobicContact CE2-CB 4.25Å; F114-L118 HydrophobicContact CE2-CD2 4.45Å; F114-L118 HydrophobicContact CZ-CB 4.48Å; F114-L118 HydrophobicContact CZ-CD2 3.93Å; F114-L118 VanDerWaalsContact O-CB 3.32Å; F114-L118 WeakPolarHBondContact O-CB 3.31Å; F114-L118 PolarHBondContact O-N 2.85Å; L118-A120 VanDerWaalsContact C-N 3.28Å; L118-A120 PolarHBondContact O-N 2.91Å; L118-I121 PolarHBondContact O-N 3.23Å; L118-Y122 WeakPolarHBondContact O-CA 3.44Å; L118-Y122 WeakPolarHBondContact O-CB 3.41Å; L118-Y122 PolarHBondContact O-N 3.32Å; L118-Y128 HydrophobicContact CD1-CD1 4.18Å; L118-Y128 HydrophobicContact CD1-CG 4.44Å; L118-L147 HydrophobicContact CD2-CD2 4.26Å; L118-F151 HydrophobicContact CD2-CE2 4.39Å
119	R	97.4	Very high	96.8	Very high	5 Å²	5	14 Å²	14	2%	0.019	7%	0.071	C	C	.	.	H	α-helix	trans	-58.3	-35.1	174.6	168.4	172.9	81	-175.7	-1.6	114.3	L85 F87 V115 R116 M117 E387 R391 L408	L85-R119 WeakPolarHBondContact O-CD 3.21Å; L85-R119 PolarHBondContact O-NH1 2.95Å; F87-R119 HydrophobicContact CD1-CB 4.31Å; F87-R119 VanDerWaalsContact CE1-CA 3.41Å; F87-R119 HydrophobicContact CE1-CB 3.91Å; F87-R119 HydrophobicContact CE2-CB 4.32Å; F87-R119 HydrophobicContact CZ-CB 3.91Å; V115-R119 WeakPolarHBondContact O-CB 3.4Å; V115-R119 PolarHBondContact O-N 2.76Å; R116-R119 PolarHBondContact O-N 3.07Å; M117-R119 VanDerWaalsContact C-N 3.3Å; M117-R119 PolarHBondContact O-N 2.83Å; R119-E387 IonicContact CZ-OE1 2.6Å; R119-E387 IonicContact NE-OE1 2.71Å; R119-E387 PolarHBondContact NE-OE1 3.21Å; R119-E387 IonicContact NH2-OE1 3.89Å; R119-E387 PolarHBondContact NH2-OE1 3.05Å; R119-E387 IonicContact NH2-OE2 2.72Å; R119-E387 PolarHBondContact NH2-OE2 3.05Å; R119-R391 PolarHBondContact O-NH2 3.31Å; R119-L408 VanDerWaalsContact CZ-CD2 3.44Å
120	A	98.3	Very high	97.1	Very high	10 Å²	10	10.3 Å²	10.3	8%	0.083	5%	0.054	C	C	.	.	H	α-helix	trans	-78	-30.9	-179.2	0	0	0	0	0	112.4	R116 M117 L118 F199 P200 H390	R116-A120 WeakPolarHBondContact O-CB 3.24Å; R116-A120 PolarHBondContact O-N 3.39Å; M117-A120 PolarHBondContact O-N 2.88Å; L118-A120 VanDerWaalsContact C-N 3.28Å; L118-A120 PolarHBondContact O-N 2.91Å; A120-F199 HydrophobicContact CB-CE1 4.22Å; A120-F199 HydrophobicContact CB-CE2 4.18Å; A120-F199 HydrophobicContact CB-CZ 3.7Å; A120-P200 HydrophobicContact CB-CG 3.52Å; A120-H390 PolarHBondContact O-CE1 2.94Å
121	I	98.8	Very high	97.4	Very high	6 Å²	6	8.5 Å²	8.5	3%	0.031	5%	0.046	C	C	.	.	H	α-helix	trans	-98.7	-15.7	-179.3	69.5	177.2	0	0	0	114	F103 V105 M117 L118 M123 Y128 L194 P200 F370	F103-I121 HydrophobicContact CD1-CD1 4.14Å; F103-I121 HydrophobicContact CG-CD1 4.25Å; V105-I121 HydrophobicContact CG2-CD1 4.39Å; M117-I121 WeakPolarHBondContact O-CG1 3.39Å; M117-I121 PolarHBondContact O-N 2.85Å; L118-I121 PolarHBondContact O-N 3.23Å; I121-M123 PolarHBondContact O-N 3.49Å; I121-Y128 HydrophobicContact CB-CE1 4.45Å; I121-Y128 HydrophobicContact CD1-CD1 4.06Å; I121-Y128 HydrophobicContact CD1-CE1 3.92Å; I121-Y128 HydrophobicContact CG1-CD1 4.32Å; I121-Y128 HydrophobicContact CG1-CE1 3.77Å; I121-Y128 PolarHBondContact O-OH 2.81Å; I121-L194 HydrophobicContact CD1-CD1 3.6Å; I121-L194 HydrophobicContact CG2-CD1 4.49Å; I121-P200 HydrophobicContact CG2-CB 4.11Å; I121-P200 HydrophobicContact CG2-CG 3.84Å; I121-F370 HydrophobicContact CG2-CE1 3.88Å
122	Y	98.8	Very high	97.7	Very high	19 Å²	19	8.3 Å²	8.3	8%	0.075	5%	0.046	C	C	.	.			trans	-67.1	128.9	-174.2	177.9	-90.7	0	0	0	111.7	F87 I88 L118 Y128 F151 N153 V154	F87-Y122 AromaticContact CD1-CD1 3.95Å; F87-Y122 HydrophobicContact CD1-CD1 3.95Å; F87-Y122 AromaticContact CD1-CG 3.89Å; F87-Y122 HydrophobicContact CD1-CG 3.89Å; F87-Y122 HydrophobicContact CE1-CG 4.34Å; I88-Y122 WeakPolarHBondContact O-CD1 3.12Å; I88-Y122 WeakPolarHBondContact O-CE1 3.46Å; L118-Y122 WeakPolarHBondContact O-CA 3.44Å; L118-Y122 WeakPolarHBondContact O-CB 3.41Å; L118-Y122 PolarHBondContact O-N 3.32Å; Y122-Y128 VanDerWaalsContact CA-OH 3.24Å; Y122-Y128 WeakPolarHBondContact CA-OH 3.43Å; Y122-Y128 HydrophobicContact CD2-CD2 4.37Å; Y122-Y128 AromaticContact CD2-CE2 3.94Å; Y122-Y128 HydrophobicContact CD2-CE2 3.94Å; Y122-Y128 HydrophobicContact CE2-CE2 4.41Å; Y122-F151 HydrophobicContact CD1-CE1 4.44Å; Y122-F151 HydrophobicContact CD2-CD1 4Å; Y122-F151 HydrophobicContact CD2-CE1 4.19Å; Y122-F151 HydrophobicContact CE1-CD1 4.13Å; Y122-F151 HydrophobicContact CE1-CE1 4.16Å; Y122-F151 HydrophobicContact CE2-CB 4.1Å; Y122-F151 AromaticContact CE2-CD1 3.3Å; Y122-F151 HydrophobicContact CE2-CD1 3.3Å; Y122-F151 AromaticContact CE2-CE1 3.88Å; Y122-F151 HydrophobicContact CE2-CE1 3.88Å; Y122-F151 AromaticContact CE2-CG 3.87Å; Y122-F151 HydrophobicContact CE2-CG 3.87Å; Y122-F151 HydrophobicContact CG-CE1 4.46Å; Y122-F151 AromaticContact CZ-CD1 3.39Å; Y122-F151 AromaticContact CZ-CE1 3.88Å; Y122-N153 VanDerWaalsContact CE2-OD1 3.28Å; Y122-N153 WeakPolarHBondContact CE2-OD1 3.44Å; Y122-N153 PolarHBondContact OH-OD1 3.37Å; Y122-V154 HydrophobicContact CD2-CG2 3.97Å; Y122-V154 HydrophobicContact CE2-CG2 3.9Å
123	M	98.6	Very high	98	Very high	2 Å²	2	6.3 Å²	6.3	1%	0.01	4%	0.035	C	C	.	.			trans	-142.3	143.7	168.4	-66.9	-64.4	171.4	0	0	108.8	I88 L92 I121 Q125 N126 Y128 N153 N204 V394	I88-M123 HydrophobicContact CD1-CE 4.13Å; I88-M123 HydrophobicContact CG2-CE 4.46Å; I88-M123 HydrophobicContact CG2-SD 4.01Å; L92-M123 HydrophobicContact CD1-CE 3.78Å; L92-M123 HydrophobicContact CD1-SD 4.41Å; L92-M123 HydrophobicContact CG-CE 4.32Å; L92-M123 HydrophobicContact CG-SD 4.32Å; I121-M123 PolarHBondContact O-N 3.49Å; M123-Q125 VanDerWaalsContact C-N 3.28Å; M123-Q125 PolarHBondContact O-N 3.27Å; M123-N126 PolarHBondContact O-N 3.27Å; M123-Y128 PolarHBondContact N-OH 3.16Å; M123-N153 PolarHBondContact O-ND2 3.28Å; M123-N204 HydrophobicContact CE-CB 4.12Å; M123-N204 HydrophobicContact CG-CB 3.89Å; M123-V394 HydrophobicContact CE-CG1 3.96Å
124	P	98.3	Very high	98.1	Very high	39 Å²	39	8 Å²	8	25%	0.253	5%	0.049	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-24.6	-171.4	25.7	-35	0	0	0	114.5	N153	P124-N153 PolarHBondContact O-ND2 2.86Å
125	Q	98.7	Very high	98.1	Very high	21 Å²	21	12.7 Å²	12.7	10%	0.098	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-19.8	178.2	74.6	-79.1	10.7	0	0	114	T91 E96 P100 M123 I186 N204	T91-Q125 HydrophobicContact CG2-CG 4.46Å; T91-Q125 PolarHBondContact OG1-OE1 2.56Å; E96-Q125 WeakPolarHBondContact O-CG 3.24Å; E96-Q125 PolarHBondContact O-NE2 3.49Å; P100-Q125 WeakPolarHBondContact CB-O 3.18Å; M123-Q125 VanDerWaalsContact C-N 3.28Å; M123-Q125 PolarHBondContact O-N 3.27Å; Q125-I186 WeakPolarHBondContact O-CG2 3.03Å; Q125-N204 PolarHBondContact NE2-ND2 3.09Å
126	N	98.9	Very high	98.1	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.073	C	C	.	.	S	Bend	trans	-81	177.5	-178.4	-72.4	-16.5	0	0	0	111.5	L101 F103 M123 Y128 N153 I186 N204	L101-N126 PolarHBondContact N-OD1 3.45Å; L101-N126 CarbonylContact O-C 3.6Å; L101-N126 VanDerWaalsContact O-CA 3.31Å; L101-N126 WeakPolarHBondContact O-CA 3.05Å; L101-N126 VanDerWaalsContact O-CB 3.3Å; L101-N126 WeakPolarHBondContact O-CB 3.43Å; F103-N126 HydrophobicContact CE2-CB 4.4Å; M123-N126 PolarHBondContact O-N 3.27Å; N126-Y128 HydrophobicContact CB-CE2 3.63Å; N126-Y128 WeakPolarHBondContact CB-OH 3.41Å; N126-Y128 PolarHBondContact ND2-OH 2.82Å; N126-Y128 VanDerWaalsContact ND2-OH 3.17Å; N126-N153 VanDerWaalsContact O-CB 3.31Å; N126-N153 WeakPolarHBondContact O-CB 3.32Å; N126-N153 PolarHBondContact O-ND2 3.05Å; N126-I186 WeakPolarHBondContact O-CD1 3.31Å; N126-N204 PolarHBondContact ND2-OD1 2.71Å
127	V	98.9	Very high	98.1	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.006	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	142.4	175.1	63.2	0	0	0	0	112	L101 A102 F103 N153 F155 L181 I186 W188	L101-V127 PolarHBondContact O-N 2.82Å; A102-V127 CarbonylContact C-O 3.37Å; A102-V127 VanDerWaalsContact CA-O 3.27Å; A102-V127 WeakPolarHBondContact CA-O 3.46Å; A102-V127 HydrophobicContact CB-CG1 3.63Å; F103-V127 PolarHBondContact N-O 2.85Å; V127-N153 WeakPolarHBondContact CA-O 3.4Å; V127-F155 HydrophobicContact CG2-CD1 4.37Å; V127-F155 HydrophobicContact CG2-CE1 3.63Å; V127-L181 HydrophobicContact CB-CD2 4.37Å; V127-L181 HydrophobicContact CG1-CD2 3.72Å; V127-L181 HydrophobicContact CG2-CD2 3.84Å; V127-I186 HydrophobicContact CB-CB 4.35Å; V127-I186 HydrophobicContact CB-CD1 3.91Å; V127-I186 HydrophobicContact CB-CG2 4.42Å; V127-I186 HydrophobicContact CG1-CG2 4.47Å; V127-I186 HydrophobicContact CG2-CD1 4.33Å; V127-W188 HydrophobicContact CG1-CB 4.05Å; V127-W188 HydrophobicContact CG1-CG 3.92Å
128	Y	98.9	Very high	98	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	117.5	-171.3	-52.5	-97.5	0	0	0	110.8	F103 L118 I121 Y122 M123 N126 N153 V154 F155	F103-Y128 HydrophobicContact CB-CD1 3.65Å; F103-Y128 HydrophobicContact CB-CE1 4.13Å; F103-Y128 HydrophobicContact CB-CG 4.47Å; F103-Y128 AromaticContact CD2-CD1 3.62Å; F103-Y128 HydrophobicContact CD2-CD1 3.62Å; F103-Y128 AromaticContact CD2-CE1 3.21Å; F103-Y128 HydrophobicContact CD2-CE1 3.21Å; F103-Y128 AromaticContact CD2-CZ 3.88Å; F103-Y128 AromaticContact CE2-CE1 3.76Å; F103-Y128 HydrophobicContact CE2-CE1 3.76Å; F103-Y128 AromaticContact CG-CD1 3.87Å; F103-Y128 HydrophobicContact CG-CD1 3.87Å; F103-Y128 AromaticContact CG-CE1 3.8Å; F103-Y128 HydrophobicContact CG-CE1 3.8Å; L118-Y128 HydrophobicContact CD1-CD1 4.18Å; L118-Y128 HydrophobicContact CD1-CG 4.44Å; I121-Y128 HydrophobicContact CB-CE1 4.45Å; I121-Y128 HydrophobicContact CD1-CD1 4.06Å; I121-Y128 HydrophobicContact CD1-CE1 3.92Å; I121-Y128 HydrophobicContact CG1-CD1 4.32Å; I121-Y128 HydrophobicContact CG1-CE1 3.77Å; I121-Y128 PolarHBondContact O-OH 2.81Å; Y122-Y128 VanDerWaalsContact CA-OH 3.24Å; Y122-Y128 WeakPolarHBondContact CA-OH 3.43Å; Y122-Y128 HydrophobicContact CD2-CD2 4.37Å; Y122-Y128 AromaticContact CD2-CE2 3.94Å; Y122-Y128 HydrophobicContact CD2-CE2 3.94Å; Y122-Y128 HydrophobicContact CE2-CE2 4.41Å; M123-Y128 PolarHBondContact N-OH 3.16Å; N126-Y128 HydrophobicContact CB-CE2 3.63Å; N126-Y128 WeakPolarHBondContact CB-OH 3.41Å; N126-Y128 PolarHBondContact ND2-OH 2.82Å; N126-Y128 VanDerWaalsContact ND2-OH 3.17Å; Y128-N153 PolarHBondContact N-O 2.81Å; Y128-V154 HydrophobicContact CD2-CG2 3.73Å; Y128-V154 HydrophobicContact CG-CG2 4.09Å; Y128-V154 WeakPolarHBondContact O-CA 3.41Å; Y128-F155 PolarHBondContact O-N 2.7Å
129	C	98.9	Very high	97.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	122.7	167.3	-178	0	0	0	0	110	F103 I104 V105 F155 C177 L181	F103-C129 PolarHBondContact O-N 2.84Å; I104-C129 WeakPolarHBondContact CA-O 3.2Å; V105-C129 PolarHBondContact N-O 3.17Å; C129-F155 HydrophobicContact CB-CD2 4.35Å; C129-F155 HydrophobicContact CB-CE2 3.58Å; C129-F155 HydrophobicContact CB-CZ 3.72Å; C129-F155 VanDerWaalsContact SG-CE2 3.57Å; C129-C177 HydrophobicContact CB-CB 3.6Å; C129-C177 WeakPolarHBondContact CB-SG 3.41Å; C129-C177 WeakPolarHBondContact SG-CA 3.38Å; C129-C177 WeakPolarHBondContact SG-CB 3.14Å; C129-C177 CovalentContact SG-SG 2.04Å; C129-C177 PolarHBondContact SG-SG 3.02Å; C129-L181 HydrophobicContact CB-CD1 4.23Å; C129-L181 HydrophobicContact CB-CD2 4.17Å; C129-L181 HydrophobicContact CB-CG 3.96Å
130	I	98.9	Very high	97.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	114.1	179.7	-46.4	-55.3	0	0	0	108.7	V105 I107 F114 V132 V144 V148 V154 F155 L156 S157	V105-I130 HydrophobicContact CB-CD1 3.74Å; V105-I130 HydrophobicContact CG2-CD1 3.78Å; V105-I130 WeakPolarHBondContact O-CA 3.3Å; I107-I130 HydrophobicContact CD1-CG2 3.68Å; I107-I130 HydrophobicContact CG1-CG2 4.17Å; F114-I130 HydrophobicContact CE2-CD1 4Å; F114-I130 HydrophobicContact CE2-CG1 4.49Å; F114-I130 HydrophobicContact CE2-CG2 4.04Å; F114-I130 HydrophobicContact CZ-CD1 4.16Å; F114-I130 HydrophobicContact CZ-CG1 4.21Å; F114-I130 HydrophobicContact CZ-CG2 3.9Å; I130-V132 HydrophobicContact CG2-CG2 4.2Å; I130-V144 HydrophobicContact CG2-CG1 4.19Å; I130-V148 HydrophobicContact CG1-CG1 4.01Å; I130-V154 HydrophobicContact CD1-CG1 4.14Å; I130-V154 HydrophobicContact CG1-CG1 3.74Å; I130-F155 PolarHBondContact N-O 2.71Å; I130-L156 HydrophobicContact CB-CD2 4Å; I130-L156 HydrophobicContact CG2-CD2 4.3Å; I130-L156 CarbonylContact O-C 3.58Å; I130-L156 WeakPolarHBondContact O-CA 3.41Å; I130-S157 PolarHBondContact O-N 3.47Å
131	H	98.8	Very high	97.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	117.2	168.7	179.5	-77.3	0	0	0	108.9	V105 T106 I107 E161 A173	V105-H131 PolarHBondContact O-N 2.86Å; T106-H131 WeakPolarHBondContact CA-O 3.49Å; I107-H131 PolarHBondContact N-O 2.65Å; H131-E161 PolarHBondContact NE2-N 3.39Å; H131-A173 VanDerWaalsContact CD2-CB 3.48Å; H131-A173 WeakPolarHBondContact CD2-CB 3.42Å; H131-A173 WeakPolarHBondContact NE2-CB 3.28Å
132	V	98.6	Very high	97.4	Very high	14 Å²	14	36.2 Å²	36.2	9%	0.085	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	123.2	171.2	-173.4	0	0	0	0	107.9	I107 I130 A134 A136 Y140 Q141 V144 L156 S160	I107-V132 HydrophobicContact CD1-CG2 4.17Å; I107-V132 HydrophobicContact CG1-CG2 4.07Å; I107-V132 WeakPolarHBondContact O-CA 3.39Å; I130-V132 HydrophobicContact CG2-CG2 4.2Å; V132-A134 PolarHBondContact O-N 3.46Å; V132-A136 HydrophobicContact CG1-CB 4.1Å; V132-Y140 HydrophobicContact CG1-CD1 4.08Å; V132-Y140 HydrophobicContact CG1-CE1 3.98Å; V132-Q141 HydrophobicContact CG1-CG 3.9Å; V132-V144 HydrophobicContact CG2-CB 4.27Å; V132-V144 HydrophobicContact CG2-CG1 3.73Å; V132-L156 HydrophobicContact CG2-CD2 4.16Å; V132-S160 PolarHBondContact O-OG 3.07Å
133	D	97.6	Very high	97.2	Very high	10 Å²	10	35.3 Å²	35.3	5%	0.053	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-56.8	130.4	177.2	-171.6	-37.5	0	0	0	110.4	I107 H108 K135 A136 V163	I107-D133 PolarHBondContact O-N 2.79Å; H108-D133 HydrophobicContact CB-CB 3.61Å; D133-K135 PolarHBondContact O-N 2.87Å; D133-K135 VanDerWaalsContact OD1-CB 3.28Å; D133-K135 WeakPolarHBondContact OD1-CB 3.24Å; D133-K135 WeakPolarHBondContact OD1-CE 3.49Å; D133-K135 WeakPolarHBondContact OD1-CG 3.07Å; D133-K135 PolarHBondContact OD1-N 2.82Å; D133-K135 VanDerWaalsContact OD2-CE 3.26Å; D133-K135 WeakPolarHBondContact OD2-CE 3.19Å; D133-K135 IonicContact OD2-NZ 2.79Å; D133-A136 WeakPolarHBondContact O-CB 3.48Å; D133-A136 PolarHBondContact O-N 2.93Å; D133-V163 PolarHBondContact OD1-N 3.27Å; D133-V163 WeakPolarHBondContact OD2-CB 3.42Å; D133-V163 PolarHBondContact OD2-N 3.05Å
134	A	96.8	Very high	97.1	Very high	35 Å²	35	35.2 Å²	35.2	29%	0.289	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-13.2	-179.6	0	0	0	0	0	113.5	V132 S160 E161 K162	V132-A134 PolarHBondContact O-N 3.46Å; A134-S160 WeakPolarHBondContact CA-OG 3.34Å; A134-S160 WeakPolarHBondContact CB-OG 3.32Å; A134-S160 PolarHBondContact N-OG 3.23Å; A134-S160 VanDerWaalsContact N-OG 3.1Å; A134-E161 PolarHBondContact N-O 2.84Å; A134-K162 HydrophobicContact CB-CG 3.63Å
135	K	95.6	Very high	97	Very high	99 Å²	99	37.9 Å²	37.9	43%	0.43	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-11.4	172.5	-60.9	-180	-66.1	178.7	0	113.7	D133 K162 V163	D133-K135 PolarHBondContact O-N 2.87Å; D133-K135 VanDerWaalsContact OD1-CB 3.28Å; D133-K135 WeakPolarHBondContact OD1-CB 3.24Å; D133-K135 WeakPolarHBondContact OD1-CE 3.49Å; D133-K135 WeakPolarHBondContact OD1-CG 3.07Å; D133-K135 PolarHBondContact OD1-N 2.82Å; D133-K135 VanDerWaalsContact OD2-CE 3.26Å; D133-K135 WeakPolarHBondContact OD2-CE 3.19Å; D133-K135 IonicContact OD2-NZ 2.79Å; K135-K162 HydrophobicContact CD-CB 4.35Å; K135-K162 HydrophobicContact CG-CB 4.04Å; K135-K162 HydrophobicContact CG-CD 4.45Å; K135-K162 HydrophobicContact CG-CG 4.01Å; K135-V163 WeakPolarHBondContact CE-O 3.26Å; K135-V163 PolarHBondContact NZ-O 3.18Å
136	A	96.3	Very high	96.8	Very high	9 Å²	9	39.8 Å²	39.8	7%	0.074	20%	0.197	C	C	.	.	S	Bend	trans	-61.9	146.5	-179.6	0	0	0	0	0	110.6	V132 D133 Y140 Q141	V132-A136 HydrophobicContact CG1-CB 4.1Å; D133-A136 WeakPolarHBondContact O-CB 3.48Å; D133-A136 PolarHBondContact O-N 2.93Å; A136-Y140 HydrophobicContact CB-CD1 3.83Å; A136-Y140 HydrophobicContact CB-CE1 4.43Å; A136-Q141 HydrophobicContact CB-CG 4.18Å; A136-Q141 PolarHBondContact O-NE2 2.94Å
137	P	96.6	Very high	96.6	Very high	79 Å²	79	39.8 Å²	39.8	51%	0.513	20%	0.197	S	C	.	.			trans	-54.1	146.7	176	-25.9	34.9	0	0	0	112.2	E139 Y140 Q141	P137-E139 VanDerWaalsContact C-N 3.26Å; P137-E139 PolarHBondContact O-N 3.09Å; P137-Y140 WeakPolarHBondContact O-CB 3.37Å; P137-Y140 PolarHBondContact O-N 3.23Å; P137-Q141 PolarHBondContact O-N 2.93Å; P137-Q141 VanDerWaalsContact O-N 3.1Å
138	K	95.6	Very high	96.5	Very high	136 Å²	136	39.9 Å²	39.9	59%	0.591	20%	0.197	S	C	*	.	H	α-helix	trans	-59.4	-40	-175.4	-167.4	-172.5	-176.7	-129	0	111.6	Y140 Q141 E142	K138-Y140 VanDerWaalsContact C-N 3.26Å; K138-Y140 PolarHBondContact O-N 3.03Å; K138-Q141 PolarHBondContact O-N 3.37Å; K138-Q141 VanDerWaalsContact O-N 3.15Å; K138-E142 WeakPolarHBondContact CE-OE1 3.33Å; K138-E142 HydrophobicContact CG-CG 4.4Å; K138-E142 IonicContact NZ-OE1 3.95Å; K138-E142 PolarHBondContact NZ-OE1 3.42Å; K138-E142 WeakPolarHBondContact O-CB 3.42Å; K138-E142 WeakPolarHBondContact O-CG 3.44Å; K138-E142 PolarHBondContact O-N 3.42Å
139	E	94.2	Very high	96.4	Very high	116 Å²	116	43.5 Å²	43.5	54%	0.542	22%	0.222	S	C	.	.	H	α-helix	trans	-62.2	-36.6	179.2	-57.7	73.8	-161	0	0	111.3	Q72 P137 A143	Q72-E139 PolarHBondContact NE2-O 3.28Å; P137-E139 VanDerWaalsContact C-N 3.26Å; P137-E139 PolarHBondContact O-N 3.09Å; E139-A143 WeakPolarHBondContact O-CB 3.28Å; E139-A143 PolarHBondContact O-N 2.64Å
140	Y	95.3	Very high	96.2	Very high	22 Å²	22	44.7 Å²	44.7	9%	0.086	23%	0.23	C	C	.	.	H	α-helix	trans	-66.7	-47.5	174.5	-179.2	-89.4	0	0	0	110.9	I107 K109 L111 V132 A136 P137 K138 E142 A143 V144	I107-Y140 WeakPolarHBondContact CB-OH 3.35Å; I107-Y140 HydrophobicContact CD1-CE1 4.25Å; I107-Y140 WeakPolarHBondContact CD1-OH 2.91Å; I107-Y140 HydrophobicContact CG1-CE1 4.21Å; K109-Y140 PolarHBondContact N-OH 2.9Å; K109-Y140 WeakPolarHBondContact O-CE2 3.46Å; K109-Y140 PolarHBondContact O-OH 3.34Å; L111-Y140 HydrophobicContact CB-CD2 4.09Å; L111-Y140 HydrophobicContact CB-CE2 3.84Å; L111-Y140 HydrophobicContact CD1-CE2 4.27Å; V132-Y140 HydrophobicContact CG1-CD1 4.08Å; V132-Y140 HydrophobicContact CG1-CE1 3.98Å; A136-Y140 HydrophobicContact CB-CD1 3.83Å; A136-Y140 HydrophobicContact CB-CE1 4.43Å; P137-Y140 WeakPolarHBondContact O-CB 3.37Å; P137-Y140 PolarHBondContact O-N 3.23Å; K138-Y140 VanDerWaalsContact C-N 3.26Å; K138-Y140 PolarHBondContact O-N 3.03Å; Y140-E142 VanDerWaalsContact C-N 3.34Å; Y140-E142 PolarHBondContact O-N 3.16Å; Y140-A143 PolarHBondContact O-N 3.28Å; Y140-V144 HydrophobicContact CD1-CG2 4.12Å; Y140-V144 HydrophobicContact CE1-CG2 3.77Å; Y140-V144 WeakPolarHBondContact O-CG2 3.43Å; Y140-V144 PolarHBondContact O-N 3.4Å
141	Q	96.4	Very high	96.2	Very high	71 Å²	71	45.5 Å²	45.5	33%	0.332	23%	0.234	S	C	.	.	H	α-helix	trans	-59.4	-45.1	177.7	-61.4	-177.1	34.9	0	0	111.5	V132 A136 P137 K138 V144 Q145	V132-Q141 HydrophobicContact CG1-CG 3.9Å; A136-Q141 HydrophobicContact CB-CG 4.18Å; A136-Q141 PolarHBondContact O-NE2 2.94Å; P137-Q141 PolarHBondContact O-N 2.93Å; P137-Q141 VanDerWaalsContact O-N 3.1Å; K138-Q141 PolarHBondContact O-N 3.37Å; K138-Q141 VanDerWaalsContact O-N 3.15Å; Q141-V144 PolarHBondContact O-N 3.25Å; Q141-Q145 WeakPolarHBondContact O-CB 3.37Å; Q141-Q145 PolarHBondContact O-N 3.15Å
142	E	94.9	Very high	96.1	Very high	87 Å²	87	49.9 Å²	49.9	41%	0.407	28%	0.279	S	S	.	.	H	α-helix	trans	-63.5	-41.7	177.9	-72.4	173.5	176.5	0	0	112	K138 Y140 Q145 K146	K138-E142 WeakPolarHBondContact CE-OE1 3.33Å; K138-E142 HydrophobicContact CG-CG 4.4Å; K138-E142 IonicContact NZ-OE1 3.95Å; K138-E142 PolarHBondContact NZ-OE1 3.42Å; K138-E142 WeakPolarHBondContact O-CB 3.42Å; K138-E142 WeakPolarHBondContact O-CG 3.44Å; K138-E142 PolarHBondContact O-N 3.42Å; Y140-E142 VanDerWaalsContact C-N 3.34Å; Y140-E142 PolarHBondContact O-N 3.16Å; E142-Q145 PolarHBondContact O-N 3.2Å; E142-K146 WeakPolarHBondContact O-CB 3.29Å; E142-K146 PolarHBondContact O-N 3.42Å
143	A	94.7	Very high	96.1	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.008	28%	0.277	C	S	.	.	H	α-helix	trans	-65.3	-42.8	176.6	0	0	0	0	0	112.1	I71 Q72 L111 E139 Y140 K146 L147	I71-A143 WeakPolarHBondContact CG2-O 3.33Å; Q72-A143 HydrophobicContact CG-CB 4.31Å; L111-A143 HydrophobicContact CD1-CB 4.45Å; L111-A143 HydrophobicContact CD2-CB 3.65Å; E139-A143 WeakPolarHBondContact O-CB 3.28Å; E139-A143 PolarHBondContact O-N 2.64Å; Y140-A143 PolarHBondContact O-N 3.28Å; A143-K146 PolarHBondContact O-N 3.12Å; A143-L147 PolarHBondContact O-N 3.24Å
144	V	96.9	Very high	96.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62.8	-48.9	174.8	175	0	0	0	0	110.3	I107 L111 F114 I130 V132 Y140 Q141 K146 L147 V148 L156	I107-V144 HydrophobicContact CD1-CG1 4.07Å; I107-V144 HydrophobicContact CD1-CG2 3.89Å; L111-V144 HydrophobicContact CD1-CG2 3.8Å; F114-V144 HydrophobicContact CD1-CG2 4.16Å; F114-V144 HydrophobicContact CE1-CB 4.49Å; F114-V144 HydrophobicContact CE1-CG1 3.85Å; F114-V144 HydrophobicContact CE1-CG2 4.15Å; F114-V144 HydrophobicContact CZ-CG1 4.27Å; I130-V144 HydrophobicContact CG2-CG1 4.19Å; V132-V144 HydrophobicContact CG2-CB 4.27Å; V132-V144 HydrophobicContact CG2-CG1 3.73Å; Y140-V144 HydrophobicContact CD1-CG2 4.12Å; Y140-V144 HydrophobicContact CE1-CG2 3.77Å; Y140-V144 WeakPolarHBondContact O-CG2 3.43Å; Y140-V144 PolarHBondContact O-N 3.4Å; Q141-V144 PolarHBondContact O-N 3.25Å; V144-K146 VanDerWaalsContact C-N 3.28Å; V144-K146 PolarHBondContact O-N 2.68Å; V144-L147 PolarHBondContact O-N 2.91Å; V144-L147 VanDerWaalsContact O-N 3.17Å; V144-V148 HydrophobicContact CG1-CG1 4.11Å; V144-V148 WeakPolarHBondContact O-CG1 3.45Å; V144-V148 WeakPolarHBondContact O-CG2 3.42Å; V144-V148 PolarHBondContact O-N 3.4Å; V144-L156 HydrophobicContact CG1-CD2 3.95Å
145	Q	96.3	Very high	96.2	Very high	95 Å²	95	50.6 Å²	50.6	44%	0.444	28%	0.275	S	S	.	.	H	α-helix	trans	-55.6	-43.9	178.8	177.7	59.2	82.6	0	0	111.8	Q141 E142 V148 S149 L156	Q141-Q145 WeakPolarHBondContact O-CB 3.37Å; Q141-Q145 PolarHBondContact O-N 3.15Å; E142-Q145 PolarHBondContact O-N 3.2Å; Q145-V148 WeakPolarHBondContact O-CG2 3.2Å; Q145-S149 WeakPolarHBondContact O-CB 3.31Å; Q145-S149 PolarHBondContact O-N 3.2Å; Q145-S149 VanDerWaalsContact O-N 3.09Å; Q145-L156 HydrophobicContact CB-CD1 4.18Å; Q145-L156 HydrophobicContact CG-CD1 4.49Å
146	K	94.1	Very high	96.4	Very high	61 Å²	61	48.4 Å²	48.4	27%	0.265	27%	0.268	S	S	.	.	H	α-helix	trans	-64.3	-45.4	178.2	-173.7	168	179.4	-168.9	0	111.8	I71 Q72 T74 E142 A143 V144 S149	I71-K146 HydrophobicContact CG2-CB 3.94Å; I71-K146 HydrophobicContact CG2-CD 4.11Å; I71-K146 HydrophobicContact CG2-CG 4.02Å; I71-K146 WeakPolarHBondContact O-CD 3.34Å; I71-K146 WeakPolarHBondContact O-CE 3.13Å; I71-K146 PolarHBondContact O-NZ 3.5Å; Q72-K146 PolarHBondContact O-NZ 2.84Å; T74-K146 PolarHBondContact O-NZ 2.6Å; E142-K146 WeakPolarHBondContact O-CB 3.29Å; E142-K146 PolarHBondContact O-N 3.42Å; A143-K146 PolarHBondContact O-N 3.12Å; V144-K146 VanDerWaalsContact C-N 3.28Å; V144-K146 PolarHBondContact O-N 2.68Å; K146-S149 PolarHBondContact O-N 3.02Å; K146-S149 PolarHBondContact O-OG 3.44Å
147	L	95.1	Very high	96.5	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.4	-50.5	177.1	177.5	62.8	0	0	0	112	I71 L81 L85 F87 F114 V115 L118 A143 V144 S149 C150 F151	I71-L147 HydrophobicContact CD1-CB 4.32Å; I71-L147 HydrophobicContact CD1-CD2 4.35Å; L81-L147 HydrophobicContact CD2-CD1 4.25Å; L85-L147 HydrophobicContact CD1-CD1 3.82Å; F87-L147 HydrophobicContact CE2-CD1 4.37Å; F87-L147 HydrophobicContact CZ-CD1 4.47Å; F114-L147 HydrophobicContact CD1-CD2 4.46Å; F114-L147 HydrophobicContact CE1-CD2 4.03Å; V115-L147 HydrophobicContact CB-CD2 4.43Å; V115-L147 HydrophobicContact CG1-CD2 4.48Å; V115-L147 HydrophobicContact CG2-CD2 3.66Å; L118-L147 HydrophobicContact CD2-CD2 4.26Å; A143-L147 PolarHBondContact O-N 3.24Å; V144-L147 PolarHBondContact O-N 2.91Å; V144-L147 VanDerWaalsContact O-N 3.17Å; L147-S149 PolarHBondContact O-N 3.24Å; L147-C150 WeakPolarHBondContact O-CB 3.44Å; L147-C150 PolarHBondContact O-N 3.03Å; L147-F151 HydrophobicContact CD1-CE2 4.05Å; L147-F151 HydrophobicContact CG-CE2 4.3Å; L147-F151 WeakPolarHBondContact O-CD2 3.06Å; L147-F151 WeakPolarHBondContact O-CE2 3.44Å
148	V	96.6	Very high	96.6	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.012	27%	0.272	C	S	.	.	H	α-helix	trans	-65.7	-30.1	-176	-58	0	0	0	0	112.2	F114 I130 V144 Q145 C150 F151 V154 L156	F114-V148 HydrophobicContact CZ-CG1 4.41Å; I130-V148 HydrophobicContact CG1-CG1 4.01Å; V144-V148 HydrophobicContact CG1-CG1 4.11Å; V144-V148 WeakPolarHBondContact O-CG1 3.45Å; V144-V148 WeakPolarHBondContact O-CG2 3.42Å; V144-V148 PolarHBondContact O-N 3.4Å; Q145-V148 WeakPolarHBondContact O-CG2 3.2Å; V148-C150 PolarHBondContact O-N 3.42Å; V148-F151 PolarHBondContact O-N 3.01Å; V148-F151 VanDerWaalsContact O-N 3.11Å; V148-V154 HydrophobicContact CB-CB 4.46Å; V148-V154 HydrophobicContact CB-CG1 3.85Å; V148-V154 HydrophobicContact CG1-CG1 3.71Å; V148-L156 HydrophobicContact CG1-CD2 4.18Å; V148-L156 HydrophobicContact CG2-CD2 3.73Å; V148-L156 HydrophobicContact CG2-CG 3.93Å
149	S	95.9	Very high	96.7	Very high	76 Å²	76	49.9 Å²	49.9	53%	0.531	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-14	177.8	73.8	0	0	0	0	114.2	Q145 K146 L147 F151	Q145-S149 WeakPolarHBondContact O-CB 3.31Å; Q145-S149 PolarHBondContact O-N 3.2Å; Q145-S149 VanDerWaalsContact O-N 3.09Å; K146-S149 PolarHBondContact O-N 3.02Å; K146-S149 PolarHBondContact O-OG 3.44Å; L147-S149 PolarHBondContact O-N 3.24Å; S149-F151 VanDerWaalsContact C-N 3.3Å
150	C	95.9	Very high	96.8	Very high	25 Å²	25	47.1 Å²	47.1	17%	0.169	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-0.7	176.5	-71.1	0	0	0	0	115	C78 T82 L147 V148	C78-C150 WeakPolarHBondContact CA-SG 3.35Å; C78-C150 HydrophobicContact CB-CB 3.47Å; C78-C150 VanDerWaalsContact CB-CB 3.47Å; C78-C150 WeakPolarHBondContact CB-SG 3.41Å; C78-C150 WeakPolarHBondContact SG-CA 3.37Å; C78-C150 WeakPolarHBondContact SG-CB 3.31Å; C78-C150 CovalentContact SG-SG 2.05Å; C78-C150 PolarHBondContact SG-SG 3.14Å; T82-C150 HydrophobicContact CG2-CB 4.12Å; L147-C150 WeakPolarHBondContact O-CB 3.44Å; L147-C150 PolarHBondContact O-N 3.03Å; V148-C150 PolarHBondContact O-N 3.42Å
151	F	97.3	Very high	96.8	Very high	17 Å²	17	48.4 Å²	48.4	8%	0.075	27%	0.273	C	S	.	.			trans	-125.2	136.6	-178.8	-52.2	-83.5	0	0	0	110.5	T82 F87 L118 Y122 L147 V148 S149 N153 V154	T82-F151 HydrophobicContact CG2-CD1 4.34Å; T82-F151 HydrophobicContact CG2-CE1 3.6Å; T82-F151 HydrophobicContact CG2-CZ 3.7Å; F87-F151 HydrophobicContact CB-CE1 4.39Å; F87-F151 AromaticContact CD1-CE1 3.7Å; F87-F151 HydrophobicContact CD1-CE1 3.7Å; F87-F151 AromaticContact CD1-CZ 3.59Å; F87-F151 HydrophobicContact CD1-CZ 3.59Å; F87-F151 HydrophobicContact CD2-CE1 4.49Å; F87-F151 AromaticContact CD2-CZ 3.99Å; F87-F151 HydrophobicContact CD2-CZ 3.99Å; F87-F151 HydrophobicContact CE1-CE1 4.06Å; F87-F151 HydrophobicContact CE1-CE2 4.35Å; F87-F151 AromaticContact CE1-CZ 3.52Å; F87-F151 HydrophobicContact CE1-CZ 3.52Å; F87-F151 AromaticContact CE2-CZ 3.92Å; F87-F151 HydrophobicContact CE2-CZ 3.92Å; F87-F151 AromaticContact CG-CE1 3.94Å; F87-F151 HydrophobicContact CG-CE1 3.94Å; F87-F151 AromaticContact CG-CZ 3.83Å; F87-F151 HydrophobicContact CG-CZ 3.83Å; F87-F151 HydrophobicContact CZ-CE2 4.35Å; F87-F151 AromaticContact CZ-CZ 3.7Å; F87-F151 HydrophobicContact CZ-CZ 3.7Å; L118-F151 HydrophobicContact CD2-CE2 4.39Å; Y122-F151 HydrophobicContact CD1-CE1 4.44Å; Y122-F151 HydrophobicContact CD2-CD1 4Å; Y122-F151 HydrophobicContact CD2-CE1 4.19Å; Y122-F151 HydrophobicContact CE1-CD1 4.13Å; Y122-F151 HydrophobicContact CE1-CE1 4.16Å; Y122-F151 HydrophobicContact CE2-CB 4.1Å; Y122-F151 AromaticContact CE2-CD1 3.3Å; Y122-F151 HydrophobicContact CE2-CD1 3.3Å; Y122-F151 AromaticContact CE2-CE1 3.88Å; Y122-F151 HydrophobicContact CE2-CE1 3.88Å; Y122-F151 AromaticContact CE2-CG 3.87Å; Y122-F151 HydrophobicContact CE2-CG 3.87Å; Y122-F151 HydrophobicContact CG-CE1 4.46Å; Y122-F151 AromaticContact CZ-CD1 3.39Å; Y122-F151 AromaticContact CZ-CE1 3.88Å; L147-F151 HydrophobicContact CD1-CE2 4.05Å; L147-F151 HydrophobicContact CG-CE2 4.3Å; L147-F151 WeakPolarHBondContact O-CD2 3.06Å; L147-F151 WeakPolarHBondContact O-CE2 3.44Å; V148-F151 PolarHBondContact O-N 3.01Å; V148-F151 VanDerWaalsContact O-N 3.11Å; S149-F151 VanDerWaalsContact C-N 3.3Å; F151-N153 VanDerWaalsContact C-N 3.26Å; F151-N153 PolarHBondContact O-N 3.01Å; F151-V154 HydrophobicContact CB-CB 3.82Å; F151-V154 HydrophobicContact CB-CG2 3.52Å; F151-V154 HydrophobicContact CD2-CB 4.29Å; F151-V154 HydrophobicContact CD2-CG2 4.01Å; F151-V154 HydrophobicContact CG-CB 4.35Å; F151-V154 HydrophobicContact CG-CG2 3.81Å
152	G	97.1	Very high	96.8	Very high	92 Å²	92	50 Å²	50	95%	0.948	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-15.1	177.7	0	0	0	0	0	114.2
153	N	98.6	Very high	96.8	Very high	10 Å²	10	47 Å²	47	5%	0.053	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.5	9.7	-173.7	63.9	-32.2	0	0	0	113.4	Y122 M123 P124 N126 V127 Y128 F151 I186	Y122-N153 VanDerWaalsContact CE2-OD1 3.28Å; Y122-N153 WeakPolarHBondContact CE2-OD1 3.44Å; Y122-N153 PolarHBondContact OH-OD1 3.37Å; M123-N153 PolarHBondContact O-ND2 3.28Å; P124-N153 PolarHBondContact O-ND2 2.86Å; N126-N153 VanDerWaalsContact O-CB 3.31Å; N126-N153 WeakPolarHBondContact O-CB 3.32Å; N126-N153 PolarHBondContact O-ND2 3.05Å; V127-N153 WeakPolarHBondContact CA-O 3.4Å; Y128-N153 PolarHBondContact N-O 2.81Å; F151-N153 VanDerWaalsContact C-N 3.26Å; F151-N153 PolarHBondContact O-N 3.01Å; N153-I186 HydrophobicContact CB-CD1 3.79Å
154	V	98.8	Very high	96.8	Very high	8 Å²	8	47 Å²	47	5%	0.048	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	128.4	172.3	-172.8	0	0	0	0	108.1	Y122 Y128 I130 V148 F151	Y122-V154 HydrophobicContact CD2-CG2 3.97Å; Y122-V154 HydrophobicContact CE2-CG2 3.9Å; Y128-V154 HydrophobicContact CD2-CG2 3.73Å; Y128-V154 HydrophobicContact CG-CG2 4.09Å; Y128-V154 WeakPolarHBondContact O-CA 3.41Å; I130-V154 HydrophobicContact CD1-CG1 4.14Å; I130-V154 HydrophobicContact CG1-CG1 3.74Å; V148-V154 HydrophobicContact CB-CB 4.46Å; V148-V154 HydrophobicContact CB-CG1 3.85Å; V148-V154 HydrophobicContact CG1-CG1 3.71Å; F151-V154 HydrophobicContact CB-CB 3.82Å; F151-V154 HydrophobicContact CB-CG2 3.52Å; F151-V154 HydrophobicContact CD2-CB 4.29Å; F151-V154 HydrophobicContact CD2-CG2 4.01Å; F151-V154 HydrophobicContact CG-CB 4.35Å; F151-V154 HydrophobicContact CG-CG2 3.81Å
155	F	98.8	Very high	96.6	Very high	57 Å²	57	52.6 Å²	52.6	25%	0.25	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	155.5	-179.3	60.5	-93.9	0	0	0	111.8	V127 Y128 C129 I130 D180 L181	V127-F155 HydrophobicContact CG2-CD1 4.37Å; V127-F155 HydrophobicContact CG2-CE1 3.63Å; Y128-F155 PolarHBondContact O-N 2.7Å; C129-F155 HydrophobicContact CB-CD2 4.35Å; C129-F155 HydrophobicContact CB-CE2 3.58Å; C129-F155 HydrophobicContact CB-CZ 3.72Å; C129-F155 VanDerWaalsContact SG-CE2 3.57Å; I130-F155 PolarHBondContact N-O 2.71Å; F155-D180 HydrophobicContact CD2-CB 4.46Å; F155-D180 HydrophobicContact CE2-CB 3.46Å; F155-D180 VanDerWaalsContact CE2-CB 3.46Å; F155-D180 HydrophobicContact CZ-CB 3.95Å; F155-L181 HydrophobicContact CE1-CD2 4.22Å; F155-L181 HydrophobicContact CZ-CD2 3.9Å; F155-L181 HydrophobicContact CZ-CG 4.2Å
156	L	98.8	Very high	96.4	Very high	52 Å²	52	48.3 Å²	48.3	27%	0.272	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	141.2	169.8	-59.8	-167.4	0	0	0	110.1	I130 V132 V144 Q145 V148 S158	I130-L156 HydrophobicContact CB-CD2 4Å; I130-L156 HydrophobicContact CG2-CD2 4.3Å; I130-L156 CarbonylContact O-C 3.58Å; I130-L156 WeakPolarHBondContact O-CA 3.41Å; V132-L156 HydrophobicContact CG2-CD2 4.16Å; V144-L156 HydrophobicContact CG1-CD2 3.95Å; Q145-L156 HydrophobicContact CB-CD1 4.18Å; Q145-L156 HydrophobicContact CG-CD1 4.49Å; V148-L156 HydrophobicContact CG1-CD2 4.18Å; V148-L156 HydrophobicContact CG2-CD2 3.73Å; V148-L156 HydrophobicContact CG2-CG 3.93Å; L156-S158 PolarHBondContact O-N 3.5Å
157	S	98.6	Very high	96.5	Very high	15 Å²	15	45.5 Å²	45.5	11%	0.105	26%	0.257	C	S	.	.			trans	-49.3	132.8	169.3	178.6	0	0	0	0	110.4	I130 R159 D180	I130-S157 PolarHBondContact O-N 3.47Å; S157-R159 PolarHBondContact O-N 2.75Å; S157-R159 VanDerWaalsContact O-N 3.12Å; S157-R159 PolarHBondContact OG-N 3.36Å; S157-R159 PolarHBondContact OG-O 2.86Å; S157-D180 WeakPolarHBondContact CA-OD2 3.47Å
158	S	97.9	Very high	96.6	Very high	82 Å²	82	46.5 Å²	46.5	57%	0.573	26%	0.261	S	S	*	.	S	Bend	trans	-61.7	-20.3	177.9	65.1	0	0	0	0	112.7	L156 D180	L156-S158 PolarHBondContact O-N 3.5Å; S158-D180 WeakPolarHBondContact CB-OD1 3.44Å; S158-D180 WeakPolarHBondContact CB-OD2 3.08Å; S158-D180 PolarHBondContact N-OD2 2.93Å; S158-D180 VanDerWaalsContact OG-CG 3.28Å; S158-D180 PolarHBondContact OG-OD1 3.28Å; S158-D180 PolarHBondContact OG-OD2 3.04Å; S158-D180 VanDerWaalsContact OG-OD2 3.09Å
159	R	97.9	Very high	96.6	Very high	158 Å²	158	46.7 Å²	46.7	60%	0.596	26%	0.263	S	S	*	.	S	Bend	trans	-130.8	122.5	174.5	-66.5	-173.9	176.9	-152	-2.5	110.7	S157 N176	S157-R159 PolarHBondContact O-N 2.75Å; S157-R159 VanDerWaalsContact O-N 3.12Å; S157-R159 PolarHBondContact OG-N 3.36Å; S157-R159 PolarHBondContact OG-O 2.86Å; R159-N176 HydrophobicContact CB-CB 4.24Å; R159-N176 WeakPolarHBondContact CB-ND2 3.08Å; R159-N176 PolarHBondContact O-ND2 3.48Å
160	S	96.1	Very high	96.7	Very high	58 Å²	58	44.6 Å²	44.6	41%	0.406	24%	0.243	S	C	.	.			trans	-96.6	137.6	172	175.3	0	0	0	0	110.1	V132 A134	V132-S160 PolarHBondContact O-OG 3.07Å; A134-S160 WeakPolarHBondContact CA-OG 3.34Å; A134-S160 WeakPolarHBondContact CB-OG 3.32Å; A134-S160 PolarHBondContact N-OG 3.23Å; A134-S160 VanDerWaalsContact N-OG 3.1Å
161	E	96.6	Very high	96.8	Very high	49 Å²	49	43.5 Å²	43.5	23%	0.229	24%	0.235	C	C	.	.			trans	-110.3	148.3	-178.3	-61.1	-60.5	153.4	0	0	109.4	H131 A134 V163 Q172 N176	H131-E161 PolarHBondContact NE2-N 3.39Å; A134-E161 PolarHBondContact N-O 2.84Å; E161-V163 HydrophobicContact CB-CG2 4.22Å; E161-V163 PolarHBondContact O-N 3.42Å; E161-Q172 HydrophobicContact CG-CB 4.22Å; E161-Q172 HydrophobicContact CG-CG 3.98Å; E161-Q172 WeakPolarHBondContact OE1-CG 3.24Å; E161-N176 WeakPolarHBondContact CG-ND2 3.24Å; E161-N176 PolarHBondContact OE1-ND2 2.89Å
162	K	96	Very high	96.8	Very high	106 Å²	106	44.7 Å²	44.7	46%	0.461	24%	0.241	S	C	.	.			trans	-86.6	92.5	168.4	-69	-177.3	177.3	-179.5	0	108.4	A134 K135 T164 V243	A134-K162 HydrophobicContact CB-CG 3.63Å; K135-K162 HydrophobicContact CD-CB 4.35Å; K135-K162 HydrophobicContact CG-CB 4.04Å; K135-K162 HydrophobicContact CG-CD 4.45Å; K135-K162 HydrophobicContact CG-CG 4.01Å; K162-T164 PolarHBondContact O-N 3.19Å; K162-V243 HydrophobicContact CB-CG1 4.29Å; K162-V243 HydrophobicContact CD-CG1 3.56Å
163	V	95	Very high	96.9	Very high	22 Å²	22	40.3 Å²	40.3	13%	0.133	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-76.1	119.3	-165.5	-179.2	0	0	0	0	112	D133 K135 E161 S169 R170 A173	D133-V163 PolarHBondContact OD1-N 3.27Å; D133-V163 WeakPolarHBondContact OD2-CB 3.42Å; D133-V163 PolarHBondContact OD2-N 3.05Å; K135-V163 WeakPolarHBondContact CE-O 3.26Å; K135-V163 PolarHBondContact NZ-O 3.18Å; E161-V163 HydrophobicContact CB-CG2 4.22Å; E161-V163 PolarHBondContact O-N 3.42Å; V163-S169 VanDerWaalsContact CA-OG 3.31Å; V163-S169 WeakPolarHBondContact CA-OG 3.35Å; V163-R170 HydrophobicContact CG1-CB 3.84Å; V163-A173 HydrophobicContact CG2-CB 4.37Å
164	T	94.3	Very high	96.9	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-99.7	137.5	173.7	-72.1	0	0	0	0	110.6	K162 A166 G167 S169 E241 S245	K162-T164 PolarHBondContact O-N 3.19Å; T164-A166 PolarHBondContact O-N 3.48Å; T164-G167 PolarHBondContact O-N 3.01Å; T164-S169 PolarHBondContact N-OG 3.26Å; T164-E241 WeakPolarHBondContact CB-OE1 3.35Å; T164-E241 HydrophobicContact CG2-CG 4.07Å; T164-S245 WeakPolarHBondContact CG2-O 3.24Å; T164-S245 PolarHBondContact OG1-O 2.71Å; T164-S245 VanDerWaalsContact OG1-O 3.05Å
165	Y	92.2	Very high	96.9	Very high	118 Å²	118	39.9 Å²	39.9	46%	0.463	19%	0.194	S	C	.	.	B	Isolated β-bridge	trans	-61.2	134.9	179.9	176.3	-104.9	0	0	0	110.8	G167 H246 V247 A248	Y165-G167 PolarHBondContact O-N 2.85Å; Y165-H246 WeakPolarHBondContact CB-O 3.26Å; Y165-H246 PolarHBondContact N-O 3.09Å; Y165-V247 HydrophobicContact CD1-CB 4.13Å; Y165-V247 HydrophobicContact CD1-CG2 3.78Å; Y165-V247 HydrophobicContact CE1-CG2 4.39Å; Y165-V247 VanDerWaalsContact O-CA 3.31Å; Y165-V247 WeakPolarHBondContact O-CA 3.33Å; Y165-A248 PolarHBondContact O-N 3.31Å
166	A	93.2	Very high	96.9	Very high	6 Å²	6	37.7 Å²	37.7	5%	0.05	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	12.6	-173.1	0	0	0	0	0	115.1	T164 V247 F299 S300	T164-A166 PolarHBondContact O-N 3.48Å; A166-V247 HydrophobicContact CB-CG2 4.36Å; A166-F299 HydrophobicContact CB-CD1 4.05Å; A166-F299 HydrophobicContact CB-CD2 3.78Å; A166-F299 HydrophobicContact CB-CE1 3.67Å; A166-F299 HydrophobicContact CB-CE2 3.38Å; A166-F299 HydrophobicContact CB-CG 4.12Å; A166-F299 HydrophobicContact CB-CZ 3.32Å; A166-S300 VanDerWaalsContact CB-OG 3.22Å; A166-S300 WeakPolarHBondContact CB-OG 3.32Å; A166-S300 WeakPolarHBondContact O-CA 3.18Å; A166-S300 PolarHBondContact O-N 3.09Å
167	G	95.4	Very high	96.9	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.01	17%	0.171	C	C	.	.	S	Bend	trans	-86.6	168.5	173	0	0	0	0	0	112.5	T164 Y165 S169 E241	T164-G167 PolarHBondContact O-N 3.01Å; Y165-G167 PolarHBondContact O-N 2.85Å; G167-S169 VanDerWaalsContact C-N 3.33Å; G167-E241 VanDerWaalsContact C-OE2 3.3Å; G167-E241 VanDerWaalsContact CA-OE2 3.28Å; G167-E241 WeakPolarHBondContact CA-OE2 3.35Å
168	F	97.3	Very high	96.9	Very high	22 Å²	22	34.5 Å²	34.5	10%	0.096	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-30.9	172.9	174	-109.3	0	0	0	113	R170 L171 Q172 E241 L292 K296 P301	F168-R170 PolarHBondContact O-N 3.26Å; F168-L171 HydrophobicContact CD2-CB 4.35Å; F168-L171 HydrophobicContact CD2-CD2 4.2Å; F168-L171 HydrophobicContact CE2-CB 4.46Å; F168-L171 HydrophobicContact CE2-CD2 3.97Å; F168-L171 HydrophobicContact CE2-CG 4.26Å; F168-L171 WeakPolarHBondContact O-CA 3.33Å; F168-L171 WeakPolarHBondContact O-CB 3.32Å; F168-L171 PolarHBondContact O-N 2.9Å; F168-Q172 HydrophobicContact CD1-CB 4.29Å; F168-Q172 HydrophobicContact CE1-CB 3.9Å; F168-Q172 HydrophobicContact CE1-CG 4.24Å; F168-Q172 HydrophobicContact CZ-CB 4.25Å; F168-Q172 VanDerWaalsContact CZ-OE1 3.24Å; F168-Q172 PolarHBondContact O-N 3.46Å; F168-E241 WeakPolarHBondContact CA-OE2 3.29Å; F168-E241 PolarHBondContact N-OE2 2.69Å; F168-L292 HydrophobicContact CE2-CD1 3.55Å; F168-L292 HydrophobicContact CE2-CG 4.19Å; F168-L292 HydrophobicContact CZ-CD1 4Å; F168-L292 HydrophobicContact CZ-CG 4.27Å; F168-K296 VanDerWaalsContact CB-O 3.3Å; F168-K296 WeakPolarHBondContact CB-O 3.32Å; F168-K296 HydrophobicContact CD1-CB 4.44Å; F168-K296 HydrophobicContact CD1-CD 4.47Å; F168-K296 HydrophobicContact CD1-CG 3.92Å; F168-K296 HydrophobicContact CD2-CB 4.33Å; F168-K296 HydrophobicContact CD2-CG 3.89Å; F168-K296 HydrophobicContact CE1-CD 4.14Å; F168-K296 HydrophobicContact CE1-CG 3.81Å; F168-K296 HydrophobicContact CE2-CG 3.78Å; F168-K296 HydrophobicContact CG-CB 4.21Å; F168-K296 HydrophobicContact CG-CG 3.96Å; F168-K296 HydrophobicContact CZ-CD 4.32Å; F168-K296 HydrophobicContact CZ-CG 3.74Å; F168-P301 HydrophobicContact CB-CG 4.25Å; F168-P301 HydrophobicContact CD2-CG 4.1Å
169	S	97.3	Very high	97	Very high	6 Å²	6	36.7 Å²	36.7	4%	0.042	17%	0.166	C	C	.	.	H	α-helix	trans	-54.6	-29.2	178.8	55.2	0	0	0	0	114	V163 T164 G167 Q172 A173 E241	V163-S169 VanDerWaalsContact CA-OG 3.31Å; V163-S169 WeakPolarHBondContact CA-OG 3.35Å; T164-S169 PolarHBondContact N-OG 3.26Å; G167-S169 VanDerWaalsContact C-N 3.33Å; S169-Q172 PolarHBondContact O-N 3.24Å; S169-A173 PolarHBondContact O-N 3.3Å; S169-E241 WeakPolarHBondContact CB-OE1 3.2Å; S169-E241 PolarHBondContact N-OE2 2.88Å; S169-E241 PolarHBondContact OG-OE1 2.78Å
170	R	97.3	Very high	97	Very high	32 Å²	32	30.6 Å²	30.6	12%	0.121	15%	0.145	C	C	.	.	H	α-helix	trans	-62.5	-45.4	173.2	174.1	59.5	-166.3	96.2	-1.7	111.5	V163 F168 D174 D302	V163-R170 HydrophobicContact CG1-CB 3.84Å; F168-R170 PolarHBondContact O-N 3.26Å; R170-D174 IonicContact CZ-OD1 3.22Å; R170-D174 IonicContact NH1-OD1 3.66Å; R170-D174 PolarHBondContact NH1-OD1 2.92Å; R170-D174 IonicContact NH1-OD2 3.75Å; R170-D174 PolarHBondContact NH1-OD2 3.49Å; R170-D174 IonicContact NH2-OD1 3.62Å; R170-D174 IonicContact NH2-OD2 3.04Å; R170-D302 HydrophobicContact CG-CB 4.21Å
171	L	98.2	Very high	97.2	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-69	-40.3	175.2	174.4	58.4	0	0	0	111	F168 A173 D174 L175 L292 P301 D302 Y305 F306	F168-L171 HydrophobicContact CD2-CB 4.35Å; F168-L171 HydrophobicContact CD2-CD2 4.2Å; F168-L171 HydrophobicContact CE2-CB 4.46Å; F168-L171 HydrophobicContact CE2-CD2 3.97Å; F168-L171 HydrophobicContact CE2-CG 4.26Å; F168-L171 WeakPolarHBondContact O-CA 3.33Å; F168-L171 WeakPolarHBondContact O-CB 3.32Å; F168-L171 PolarHBondContact O-N 2.9Å; L171-A173 VanDerWaalsContact C-N 3.29Å; L171-A173 PolarHBondContact O-N 2.84Å; L171-D174 PolarHBondContact O-N 3.34Å; L171-D174 VanDerWaalsContact O-N 3.17Å; L171-L175 HydrophobicContact CD1-CD1 4.38Å; L171-L175 HydrophobicContact CD1-CG 4.34Å; L171-L175 HydrophobicContact CG-CD1 4.02Å; L171-L175 HydrophobicContact CG-CG 4.45Å; L171-L175 WeakPolarHBondContact O-CG 3.35Å; L171-L175 PolarHBondContact O-N 3.43Å; L171-L175 VanDerWaalsContact O-N 3.08Å; L171-L292 HydrophobicContact CD2-CD1 3.84Å; L171-L292 HydrophobicContact CG-CD1 4.46Å; L171-P301 HydrophobicContact CB-CG 4.47Å; L171-P301 HydrophobicContact CD2-CB 4.02Å; L171-P301 HydrophobicContact CD2-CG 4.32Å; L171-D302 HydrophobicContact CB-CB 4.33Å; L171-Y305 HydrophobicContact CD1-CD1 3.89Å; L171-Y305 HydrophobicContact CD1-CG 4.46Å; L171-Y305 HydrophobicContact CD2-CD1 3.91Å; L171-Y305 HydrophobicContact CD2-CD2 4.42Å; L171-Y305 HydrophobicContact CD2-CG 3.73Å; L171-Y305 HydrophobicContact CG-CD1 4.47Å; L171-F306 HydrophobicContact CD1-CD2 4.14Å; L171-F306 HydrophobicContact CD1-CE1 4.41Å; L171-F306 HydrophobicContact CD1-CE2 3.24Å; L171-F306 HydrophobicContact CD1-CZ 3.41Å; L171-F306 VanDerWaalsContact CD1-CZ 3.41Å
172	Q	98.5	Very high	97.2	Very high	42 Å²	42	27.2 Å²	27.2	20%	0.196	12%	0.123	C	C	.	.	H	α-helix	trans	-60.5	-36.8	178.3	-171.6	60.9	66.2	0	0	112.6	E161 F168 S169 D174 L175 N176	E161-Q172 HydrophobicContact CG-CB 4.22Å; E161-Q172 HydrophobicContact CG-CG 3.98Å; E161-Q172 WeakPolarHBondContact OE1-CG 3.24Å; F168-Q172 HydrophobicContact CD1-CB 4.29Å; F168-Q172 HydrophobicContact CE1-CB 3.9Å; F168-Q172 HydrophobicContact CE1-CG 4.24Å; F168-Q172 HydrophobicContact CZ-CB 4.25Å; F168-Q172 VanDerWaalsContact CZ-OE1 3.24Å; F168-Q172 PolarHBondContact O-N 3.46Å; S169-Q172 PolarHBondContact O-N 3.24Å; Q172-D174 VanDerWaalsContact C-N 3.33Å; Q172-D174 PolarHBondContact O-N 3.07Å; Q172-L175 PolarHBondContact O-N 2.91Å; Q172-N176 PolarHBondContact NE2-OD1 3.02Å; Q172-N176 PolarHBondContact O-N 2.96Å; Q172-N176 PolarHBondContact O-ND2 2.9Å; Q172-N176 PolarHBondContact O-OD1 2.79Å
173	A	98.5	Very high	97.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-56.4	-45.2	174.5	0	0	0	0	0	112.3	T106 H131 V163 S169 L171 C177	T106-A173 HydrophobicContact CG2-CB 4.42Å; H131-A173 VanDerWaalsContact CD2-CB 3.48Å; H131-A173 WeakPolarHBondContact CD2-CB 3.42Å; H131-A173 WeakPolarHBondContact NE2-CB 3.28Å; V163-A173 HydrophobicContact CG2-CB 4.37Å; S169-A173 PolarHBondContact O-N 3.3Å; L171-A173 VanDerWaalsContact C-N 3.29Å; L171-A173 PolarHBondContact O-N 2.84Å; A173-C177 PolarHBondContact O-N 3.28Å
174	D	98.8	Very high	97.4	Very high	2 Å²	2	26 Å²	26	1%	0.011	13%	0.134	C	C	.	.	H	α-helix	trans	-67.4	-42.2	176.4	-79.8	11.2	0	0	0	111.2	I104 T106 R170 L171 Q172 N176 C177 M178 N193 Y272	I104-D174 WeakPolarHBondContact CG2-OD1 3.46Å; T106-D174 PolarHBondContact OG1-OD1 2.94Å; R170-D174 IonicContact CZ-OD1 3.22Å; R170-D174 IonicContact NH1-OD1 3.66Å; R170-D174 PolarHBondContact NH1-OD1 2.92Å; R170-D174 IonicContact NH1-OD2 3.75Å; R170-D174 PolarHBondContact NH1-OD2 3.49Å; R170-D174 IonicContact NH2-OD1 3.62Å; R170-D174 IonicContact NH2-OD2 3.04Å; L171-D174 PolarHBondContact O-N 3.34Å; L171-D174 VanDerWaalsContact O-N 3.17Å; Q172-D174 VanDerWaalsContact C-N 3.33Å; Q172-D174 PolarHBondContact O-N 3.07Å; D174-N176 VanDerWaalsContact C-N 3.34Å; D174-N176 PolarHBondContact O-N 2.74Å; D174-C177 PolarHBondContact O-N 2.83Å; D174-M178 WeakPolarHBondContact O-CG 2.85Å; D174-M178 PolarHBondContact O-N 3.32Å; D174-N193 PolarHBondContact OD2-ND2 3.48Å; D174-Y272 WeakPolarHBondContact CB-OH 3.22Å; D174-Y272 WeakPolarHBondContact OD2-CE1 3.22Å; D174-Y272 PolarHBondContact OD2-OH 2.78Å
175	L	98.8	Very high	97.5	Very high	8 Å²	8	32.1 Å²	32.1	4%	0.042	17%	0.174	C	C	.	.	H	α-helix	trans	-63.8	-36.7	179.3	-68.1	171	0	0	0	112.9	L171 Q172 M178 K179 V282 L292 Y305 F306	L171-L175 HydrophobicContact CD1-CD1 4.38Å; L171-L175 HydrophobicContact CD1-CG 4.34Å; L171-L175 HydrophobicContact CG-CD1 4.02Å; L171-L175 HydrophobicContact CG-CG 4.45Å; L171-L175 WeakPolarHBondContact O-CG 3.35Å; L171-L175 PolarHBondContact O-N 3.43Å; L171-L175 VanDerWaalsContact O-N 3.08Å; Q172-L175 PolarHBondContact O-N 2.91Å; L175-M178 HydrophobicContact CD2-SD 4.17Å; L175-M178 PolarHBondContact O-N 2.92Å; L175-K179 PolarHBondContact O-N 3.04Å; L175-V282 HydrophobicContact CD2-CG1 3.55Å; L175-L292 HydrophobicContact CD1-CD1 3.56Å; L175-L292 HydrophobicContact CD1-CD2 3.75Å; L175-L292 HydrophobicContact CD1-CG 4.31Å; L175-Y305 HydrophobicContact CD2-CE1 4.37Å; L175-F306 HydrophobicContact CD2-CE1 4.41Å; L175-F306 HydrophobicContact CD2-CZ 4.33Å
176	N	98.8	Very high	97.8	Very high	10 Å²	10	28.4 Å²	28.4	5%	0.053	16%	0.162	C	C	.	.	H	α-helix	trans	-61.8	-47.9	173.6	-68.7	-18.1	0	0	0	110.5	R159 E161 Q172 D174 M178 K179 D180	R159-N176 HydrophobicContact CB-CB 4.24Å; R159-N176 WeakPolarHBondContact CB-ND2 3.08Å; R159-N176 PolarHBondContact O-ND2 3.48Å; E161-N176 WeakPolarHBondContact CG-ND2 3.24Å; E161-N176 PolarHBondContact OE1-ND2 2.89Å; Q172-N176 PolarHBondContact NE2-OD1 3.02Å; Q172-N176 PolarHBondContact O-N 2.96Å; Q172-N176 PolarHBondContact O-ND2 2.9Å; Q172-N176 PolarHBondContact O-OD1 2.79Å; D174-N176 VanDerWaalsContact C-N 3.34Å; D174-N176 PolarHBondContact O-N 2.74Å; N176-M178 PolarHBondContact O-N 2.95Å; N176-K179 WeakPolarHBondContact O-CB 3.49Å; N176-K179 PolarHBondContact O-N 3.38Å; N176-D180 PolarHBondContact O-N 3.43Å
177	C	98.9	Very high	98	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63.4	-38.7	175.5	-90.3	0	0	0	0	113.3	I104 C129 A173 D174 K179 D180 L181	I104-C177 HydrophobicContact CB-CB 4.31Å; I104-C177 HydrophobicContact CD1-CB 3.93Å; I104-C177 HydrophobicContact CG1-CB 3.79Å; I104-C177 HydrophobicContact CG2-CB 3.72Å; C129-C177 HydrophobicContact CB-CB 3.6Å; C129-C177 WeakPolarHBondContact CB-SG 3.41Å; C129-C177 WeakPolarHBondContact SG-CA 3.38Å; C129-C177 WeakPolarHBondContact SG-CB 3.14Å; C129-C177 CovalentContact SG-SG 2.04Å; C129-C177 PolarHBondContact SG-SG 3.02Å; A173-C177 PolarHBondContact O-N 3.28Å; D174-C177 PolarHBondContact O-N 2.83Å; C177-K179 VanDerWaalsContact C-N 3.28Å; C177-K179 PolarHBondContact O-N 2.93Å; C177-D180 PolarHBondContact O-N 3.42Å; C177-L181 VanDerWaalsContact O-CB 3.31Å; C177-L181 WeakPolarHBondContact O-CB 3.34Å; C177-L181 WeakPolarHBondContact O-CG 3.49Å; C177-L181 PolarHBondContact O-N 2.84Å
178	M	98.9	Very high	98.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-57.6	-42.7	174.7	-78.1	-175	-172.4	0	0	111.8	I104 D174 L175 N176 L181 I182 Y272 L274 V279 V282 L283 F306	I104-M178 HydrophobicContact CD1-CE 4.3Å; I104-M178 HydrophobicContact CD1-CG 3.72Å; D174-M178 WeakPolarHBondContact O-CG 2.85Å; D174-M178 PolarHBondContact O-N 3.32Å; L175-M178 HydrophobicContact CD2-SD 4.17Å; L175-M178 PolarHBondContact O-N 2.92Å; N176-M178 PolarHBondContact O-N 2.95Å; M178-L181 PolarHBondContact O-N 3.43Å; M178-I182 WeakPolarHBondContact O-CG1 3.46Å; M178-I182 PolarHBondContact O-N 3.5Å; M178-Y272 HydrophobicContact CE-CE2 3.79Å; M178-Y272 WeakPolarHBondContact CE-OH 3.3Å; M178-L274 HydrophobicContact CE-CD1 3.7Å; M178-V279 HydrophobicContact CB-CG1 3.64Å; M178-V279 HydrophobicContact CG-CG1 3.76Å; M178-V279 HydrophobicContact CG-CG2 4.44Å; M178-V279 HydrophobicContact SD-CG1 3.94Å; M178-V279 HydrophobicContact SD-CG2 4.22Å; M178-V282 HydrophobicContact SD-CG1 4.39Å; M178-L283 HydrophobicContact CB-CD1 4.37Å; M178-L283 HydrophobicContact CB-CD2 4.42Å; M178-F306 HydrophobicContact CE-CD1 4.47Å; M178-F306 HydrophobicContact CE-CE1 3.54Å; M178-F306 HydrophobicContact CE-CE2 4.47Å; M178-F306 HydrophobicContact CE-CZ 3.53Å; M178-F306 HydrophobicContact SD-CE1 4.06Å; M178-F306 HydrophobicContact SD-CZ 4.28Å
179	K	98.7	Very high	98.2	Very high	128 Å²	128	36.4 Å²	36.4	56%	0.557	20%	0.203	S	C	*	.	H	α-helix	trans	-61.4	-45.7	177.4	-175.7	178.4	178.5	177.6	0	111.7	L175 N176 C177 A183 L283	L175-K179 PolarHBondContact O-N 3.04Å; N176-K179 WeakPolarHBondContact O-CB 3.49Å; N176-K179 PolarHBondContact O-N 3.38Å; C177-K179 VanDerWaalsContact C-N 3.28Å; C177-K179 PolarHBondContact O-N 2.93Å; K179-A183 PolarHBondContact O-N 2.93Å; K179-L283 HydrophobicContact CB-CD1 4.49Å; K179-L283 HydrophobicContact CB-CD2 4.39Å
180	D	98.8	Very high	98.3	Very high	30 Å²	30	36.1 Å²	36.1	16%	0.16	20%	0.201	C	C	.	.	H	α-helix	trans	-69.2	-38.8	179.3	-61.5	-25.4	0	0	0	111.9	F155 S157 S158 N176 C177 I182 A183 S184	F155-D180 HydrophobicContact CD2-CB 4.46Å; F155-D180 HydrophobicContact CE2-CB 3.46Å; F155-D180 VanDerWaalsContact CE2-CB 3.46Å; F155-D180 HydrophobicContact CZ-CB 3.95Å; S157-D180 WeakPolarHBondContact CA-OD2 3.47Å; S158-D180 WeakPolarHBondContact CB-OD1 3.44Å; S158-D180 WeakPolarHBondContact CB-OD2 3.08Å; S158-D180 PolarHBondContact N-OD2 2.93Å; S158-D180 VanDerWaalsContact OG-CG 3.28Å; S158-D180 PolarHBondContact OG-OD1 3.28Å; S158-D180 PolarHBondContact OG-OD2 3.04Å; S158-D180 VanDerWaalsContact OG-OD2 3.09Å; N176-D180 PolarHBondContact O-N 3.43Å; C177-D180 PolarHBondContact O-N 3.42Å; D180-I182 PolarHBondContact O-N 2.89Å; D180-A183 PolarHBondContact O-N 2.83Å; D180-S184 PolarHBondContact O-N 2.85Å
181	L	98.8	Very high	98.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63.7	-38.7	177.1	-76.4	170.1	0	0	0	112.5	A102 I104 V127 C129 F155 C177 M178 A183 S184 W188 V191	A102-L181 HydrophobicContact CB-CD1 4.16Å; A102-L181 HydrophobicContact CB-CD2 4.01Å; I104-L181 HydrophobicContact CD1-CD1 4.04Å; I104-L181 HydrophobicContact CG1-CD1 3.53Å; V127-L181 HydrophobicContact CB-CD2 4.37Å; V127-L181 HydrophobicContact CG1-CD2 3.72Å; V127-L181 HydrophobicContact CG2-CD2 3.84Å; C129-L181 HydrophobicContact CB-CD1 4.23Å; C129-L181 HydrophobicContact CB-CD2 4.17Å; C129-L181 HydrophobicContact CB-CG 3.96Å; F155-L181 HydrophobicContact CE1-CD2 4.22Å; F155-L181 HydrophobicContact CZ-CD2 3.9Å; F155-L181 HydrophobicContact CZ-CG 4.2Å; C177-L181 VanDerWaalsContact O-CB 3.31Å; C177-L181 WeakPolarHBondContact O-CB 3.34Å; C177-L181 WeakPolarHBondContact O-CG 3.49Å; C177-L181 PolarHBondContact O-N 2.84Å; M178-L181 PolarHBondContact O-N 3.43Å; L181-A183 PolarHBondContact O-N 3.48Å; L181-S184 WeakPolarHBondContact O-CB 3.42Å; L181-S184 PolarHBondContact O-N 3.34Å; L181-S184 VanDerWaalsContact O-N 3.11Å; L181-W188 HydrophobicContact CB-CZ2 3.99Å; L181-W188 PolarHBondContact O-NE1 2.97Å; L181-V191 HydrophobicContact CD1-CG2 3.76Å
182	I	98.3	Very high	98.4	Very high	36 Å²	36	34.6 Å²	34.6	19%	0.185	20%	0.195	C	C	.	.	H	α-helix	trans	-62.6	-34.6	176.5	-74.9	-73.5	0	0	0	111.5	M178 D180 S184 W188 R276 V279 D280 L283	M178-I182 WeakPolarHBondContact O-CG1 3.46Å; M178-I182 PolarHBondContact O-N 3.5Å; D180-I182 PolarHBondContact O-N 2.89Å; I182-S184 VanDerWaalsContact C-N 3.28Å; I182-S184 PolarHBondContact O-N 3.35Å; I182-W188 HydrophobicContact CD1-CH2 4.17Å; I182-W188 HydrophobicContact CD1-CZ2 3.84Å; I182-W188 HydrophobicContact CG1-CZ2 4.21Å; I182-R276 HydrophobicContact CD1-CG 3.84Å; I182-R276 PolarHBondContact O-NH2 3.22Å; I182-R276 VanDerWaalsContact O-NH2 3.09Å; I182-V279 HydrophobicContact CD1-CB 4.32Å; I182-V279 HydrophobicContact CD1-CG1 4Å; I182-V279 HydrophobicContact CG1-CG1 3.75Å; I182-D280 HydrophobicContact CD1-CB 4.42Å; I182-L283 HydrophobicContact CB-CD1 4.38Å; I182-L283 HydrophobicContact CG1-CD1 3.84Å
183	A	97	Very high	98.4	Very high	85 Å²	85	32.6 Å²	32.6	70%	0.702	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-9.3	176.5	0	0	0	0	0	114.1	K179 D180 L181	K179-A183 PolarHBondContact O-N 2.93Å; D180-A183 PolarHBondContact O-N 2.83Å; L181-A183 PolarHBondContact O-N 3.48Å
184	S	97.6	Very high	98.4	Very high	17 Å²	17	32.6 Å²	32.6	12%	0.119	19%	0.185	C	C	.	.			trans	-62.2	140.9	177.4	-175.5	0	0	0	0	111.6	D180 L181 I182 I186	D180-S184 PolarHBondContact O-N 2.85Å; L181-S184 WeakPolarHBondContact O-CB 3.42Å; L181-S184 PolarHBondContact O-N 3.34Å; L181-S184 VanDerWaalsContact O-N 3.11Å; I182-S184 VanDerWaalsContact C-N 3.28Å; I182-S184 PolarHBondContact O-N 3.35Å; S184-I186 PolarHBondContact O-N 3.33Å; S184-I186 PolarHBondContact OG-N 2.99Å
185	P	96.9	Very high	98.3	Very high	131 Å²	131	33.6 Å²	33.6	85%	0.851	19%	0.192	S	C	*	.	S	Bend	trans	-69.7	-16.1	172.7	30.1	-36.2	0	0	0	112.8	A187	P185-A187 PolarHBondContact O-N 3.12Å
186	I	98.1	Very high	98	Very high	40 Å²	40	33.7 Å²	33.7	21%	0.205	20%	0.195	C	C	.	.	S	Bend	trans	-74.5	120.9	178.4	-63.6	172.3	0	0	0	108.5	P100 Q125 N126 V127 N153 S184 W188	P100-I186 HydrophobicContact CB-CG2 3.86Å; P100-I186 HydrophobicContact CG-CG2 4.47Å; Q125-I186 WeakPolarHBondContact O-CG2 3.03Å; N126-I186 WeakPolarHBondContact O-CD1 3.31Å; V127-I186 HydrophobicContact CB-CB 4.35Å; V127-I186 HydrophobicContact CB-CD1 3.91Å; V127-I186 HydrophobicContact CB-CG2 4.42Å; V127-I186 HydrophobicContact CG1-CG2 4.47Å; V127-I186 HydrophobicContact CG2-CD1 4.33Å; N153-I186 HydrophobicContact CB-CD1 3.79Å; S184-I186 PolarHBondContact O-N 3.33Å; S184-I186 PolarHBondContact OG-N 2.99Å; I186-W188 HydrophobicContact CG2-CB 4.48Å; I186-W188 PolarHBondContact O-N 2.87Å
187	A	97.2	Very high	97.9	Very high	59 Å²	59	34.7 Å²	34.7	49%	0.488	20%	0.2	S	C	.	.			trans	-78.3	61.1	179.3	0	0	0	0	0	112	P185	P185-A187 PolarHBondContact O-N 3.12Å
188	W	98.8	Very high	97.8	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.015	20%	0.2	C	C	.	.			trans	-63.9	151.3	179.9	58.3	-95.2	0	0	0	112.8	P100 A102 V127 L181 I182 I186 V191 R276 V279	P100-W188 HydrophobicContact CB-CB 4.44Å; P100-W188 CarbonylContact O-C 3.51Å; P100-W188 VanDerWaalsContact O-CA 3.26Å; P100-W188 WeakPolarHBondContact O-CA 3.43Å; A102-W188 HydrophobicContact CB-CB 4.01Å; A102-W188 HydrophobicContact CB-CD2 3.57Å; A102-W188 HydrophobicContact CB-CE3 3.77Å; A102-W188 HydrophobicContact CB-CG 3.68Å; A102-W188 HydrophobicContact CB-CZ3 4.44Å; V127-W188 HydrophobicContact CG1-CB 4.05Å; V127-W188 HydrophobicContact CG1-CG 3.92Å; L181-W188 HydrophobicContact CB-CZ2 3.99Å; L181-W188 PolarHBondContact O-NE1 2.97Å; I182-W188 HydrophobicContact CD1-CH2 4.17Å; I182-W188 HydrophobicContact CD1-CZ2 3.84Å; I182-W188 HydrophobicContact CG1-CZ2 4.21Å; I186-W188 HydrophobicContact CG2-CB 4.48Å; I186-W188 PolarHBondContact O-N 2.87Å; W188-V191 HydrophobicContact CE3-CB 4.45Å; W188-V191 HydrophobicContact CH2-CB 4.37Å; W188-V191 HydrophobicContact CH2-CG1 4.49Å; W188-V191 HydrophobicContact CZ3-CB 3.95Å; W188-V191 HydrophobicContact CZ3-CG1 4.25Å; W188-R276 HydrophobicContact CD2-CB 4.47Å; W188-R276 HydrophobicContact CD2-CG 4.3Å; W188-R276 HydrophobicContact CE3-CB 3.83Å; W188-R276 HydrophobicContact CE3-CG 4.11Å; W188-R276 HydrophobicContact CH2-CB 3.72Å; W188-R276 HydrophobicContact CH2-CG 3.54Å; W188-R276 HydrophobicContact CZ2-CB 4.36Å; W188-R276 HydrophobicContact CZ2-CG 3.72Å; W188-R276 HydrophobicContact CZ3-CB 3.42Å; W188-R276 VanDerWaalsContact CZ3-CB 3.42Å; W188-R276 HydrophobicContact CZ3-CG 3.74Å; W188-R276 WeakPolarHBondContact O-CD 3.39Å; W188-V279 HydrophobicContact CH2-CB 4.06Å; W188-V279 HydrophobicContact CH2-CG1 4.3Å; W188-V279 HydrophobicContact CH2-CG2 3.99Å
189	R	98.4	Very high	97.8	Very high	133 Å²	133	34.7 Å²	34.7	50%	0.502	20%	0.2	S	C	.	.	S	Bend	trans	-99	-47.9	-170.6	-58.5	-58.2	-170.4	176.2	-1.5	112.8	Y99 P100 R276	Y99-R189 HydrophobicContact CD1-CB 4Å; Y99-R189 HydrophobicContact CD1-CG 4.07Å; Y99-R189 HydrophobicContact CD2-CB 4.27Å; Y99-R189 HydrophobicContact CD2-CG 3.79Å; Y99-R189 HydrophobicContact CE1-CB 3.56Å; Y99-R189 HydrophobicContact CE1-CG 4.08Å; Y99-R189 HydrophobicContact CE2-CB 3.84Å; Y99-R189 HydrophobicContact CE2-CG 3.8Å; Y99-R189 HydrophobicContact CG-CB 4.34Å; Y99-R189 HydrophobicContact CG-CG 3.93Å; Y99-R189 VanDerWaalsContact CZ-CB 3.47Å; P100-R189 PolarHBondContact O-N 3.06Å; R189-R276 PolarHBondContact O-N 2.9Å; R189-R276 VanDerWaalsContact O-N 3.17Å
190	K	98.6	Very high	97.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	149.1	176.5	-67.4	-174.5	-165.4	-85.4	0	110.6	Y99 A102 M211 W216 R217 K219 L274 T275	Y99-K190 WeakPolarHBondContact OH-CE 3.36Å; A102-K190 PolarHBondContact N-O 2.96Å; K190-M211 HydrophobicContact CB-SD 3.84Å; K190-M211 HydrophobicContact CD-CB 3.94Å; K190-M211 HydrophobicContact CD-CG 3.84Å; K190-M211 HydrophobicContact CD-SD 3.75Å; K190-M211 HydrophobicContact CG-SD 4.32Å; K190-W216 WeakPolarHBondContact CE-O 3.45Å; K190-W216 PolarHBondContact NZ-O 2.59Å; K190-R217 PolarHBondContact NZ-O 3.42Å; K190-R217 VanDerWaalsContact NZ-O 3.16Å; K190-K219 PolarHBondContact NZ-O 3.42Å; K190-L274 CarbonylContact C-O 3.56Å; K190-L274 WeakPolarHBondContact CA-O 3.45Å; K190-L274 WeakPolarHBondContact CB-O 2.97Å; K190-T275 HydrophobicContact CG-CG2 4.48Å
191	V	98.9	Very high	97.8	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.006	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	135.6	173.6	64.7	0	0	0	0	110.5	A102 I104 L181 W188 A273 L274 V279	A102-V191 HydrophobicContact CB-CB 3.87Å; A102-V191 HydrophobicContact CB-CG2 3.88Å; A102-V191 CarbonylContact O-C 3.56Å; A102-V191 VanDerWaalsContact O-CA 3.26Å; A102-V191 WeakPolarHBondContact O-CA 3.16Å; I104-V191 HydrophobicContact CD1-CG2 3.86Å; I104-V191 HydrophobicContact CG1-CG2 3.68Å; L181-V191 HydrophobicContact CD1-CG2 3.76Å; W188-V191 HydrophobicContact CE3-CB 4.45Å; W188-V191 HydrophobicContact CH2-CB 4.37Å; W188-V191 HydrophobicContact CH2-CG1 4.49Å; W188-V191 HydrophobicContact CZ3-CB 3.95Å; W188-V191 HydrophobicContact CZ3-CG1 4.25Å; V191-A273 CarbonylContact O-C 3.51Å; V191-A273 VanDerWaalsContact O-CA 3.24Å; V191-A273 WeakPolarHBondContact O-CA 3.49Å; V191-L274 HydrophobicContact CG1-CB 3.93Å; V191-L274 PolarHBondContact N-O 2.86Å; V191-L274 PolarHBondContact O-N 3.43Å; V191-V279 HydrophobicContact CG1-CG2 3.59Å
192	I	98.9	Very high	97.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	134	171.5	-56.3	159.8	0	0	0	108.3	A102 F103 I104 L194 L207 M211 A273 F370	A102-I192 PolarHBondContact O-N 3.2Å; F103-I192 CarbonylContact C-O 3.44Å; F103-I192 WeakPolarHBondContact CA-O 3.31Å; F103-I192 HydrophobicContact CD1-CB 4.12Å; F103-I192 HydrophobicContact CD1-CD1 4.37Å; F103-I192 HydrophobicContact CE1-CB 4.21Å; F103-I192 HydrophobicContact CE1-CD1 3.62Å; F103-I192 HydrophobicContact CE1-CG1 4.47Å; F103-I192 HydrophobicContact CZ-CD1 4.11Å; I104-I192 PolarHBondContact N-O 3.49Å; I192-L194 HydrophobicContact CG2-CD2 4.09Å; I192-L207 HydrophobicContact CD1-CD1 4.16Å; I192-L207 HydrophobicContact CD1-CD2 4.44Å; I192-M211 HydrophobicContact CD1-CE 3.32Å; I192-M211 HydrophobicContact CG1-CE 3.45Å; I192-M211 VanDerWaalsContact CG1-CE 3.45Å; I192-A273 HydrophobicContact CG1-CB 4.15Å; I192-F370 HydrophobicContact CD1-CE2 4.05Å; I192-F370 HydrophobicContact CD1-CZ 4.41Å; I192-F370 HydrophobicContact CG2-CD2 4.37Å; I192-F370 HydrophobicContact CG2-CE2 3.81Å; I192-F370 HydrophobicContact CG2-CZ 4.47Å
193	N	98.8	Very high	97.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	145.6	170.3	75.2	-29	0	0	0	112	I104 D174 A270 Y271 Y272 R329	I104-N193 HydrophobicContact CB-CB 4.13Å; I104-N193 CarbonylContact O-C 3.6Å; I104-N193 WeakPolarHBondContact O-CA 3.33Å; D174-N193 PolarHBondContact OD2-ND2 3.48Å; N193-A270 PolarHBondContact ND2-O 2.84Å; N193-Y271 VanDerWaalsContact OD1-CA 3.28Å; N193-Y271 WeakPolarHBondContact OD1-CA 3.3Å; N193-Y272 HydrophobicContact CB-CD2 4.39Å; N193-Y272 HydrophobicContact CB-CE1 4.11Å; N193-Y272 HydrophobicContact CB-CE2 3.73Å; N193-Y272 WeakPolarHBondContact CB-OH 3.47Å; N193-Y272 VanDerWaalsContact CG-CE1 3.45Å; N193-Y272 VanDerWaalsContact CG-CZ 3.43Å; N193-Y272 WeakPolarHBondContact ND2-CE1 3.43Å; N193-Y272 PolarHBondContact OD1-N 3.49Å; N193-R329 PolarHBondContact O-NH2 3.38Å
194	L	98.6	Very high	97.9	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	155.2	-179.6	-55.1	178.8	0	0	0	109.2	F103 I104 V105 T106 M117 I121 I192 D198 F370	F103-L194 HydrophobicContact CD1-CD1 4.06Å; I104-L194 PolarHBondContact O-N 3.01Å; V105-L194 HydrophobicContact CG1-CB 4.4Å; V105-L194 HydrophobicContact CG2-CB 4.46Å; V105-L194 HydrophobicContact CG2-CD1 4.34Å; T106-L194 PolarHBondContact N-O 3.35Å; M117-L194 HydrophobicContact SD-CB 4.23Å; M117-L194 HydrophobicContact SD-CD1 4.02Å; I121-L194 HydrophobicContact CD1-CD1 3.6Å; I121-L194 HydrophobicContact CG2-CD1 4.49Å; I192-L194 HydrophobicContact CG2-CD2 4.09Å; L194-D198 WeakPolarHBondContact CA-OD2 3.34Å; L194-D198 HydrophobicContact CD2-CB 4.49Å; L194-F370 HydrophobicContact CD1-CD1 4.48Å; L194-F370 HydrophobicContact CD1-CE1 3.93Å; L194-F370 HydrophobicContact CD1-CZ 4.36Å; L194-F370 HydrophobicContact CD2-CD1 3.55Å; L194-F370 HydrophobicContact CD2-CD2 3.89Å; L194-F370 HydrophobicContact CD2-CE1 3.56Å; L194-F370 HydrophobicContact CD2-CE2 3.94Å; L194-F370 HydrophobicContact CD2-CG 3.76Å; L194-F370 HydrophobicContact CD2-CZ 3.8Å; L194-F370 HydrophobicContact CG-CE1 4.43Å
195	C	96	Very high	97.9	Very high	23 Å²	23	23.2 Å²	23.2	16%	0.155	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	164.6	167.2	75.5	0	0	0	0	111.2	T106 Q197 D198 N372	T106-C195 CarbonylContact O-C 3.52Å; T106-C195 WeakPolarHBondContact O-CA 3.01Å; C195-Q197 PolarHBondContact O-N 3.37Å; C195-D198 PolarHBondContact N-OD2 3.13Å; C195-D198 WeakPolarHBondContact O-CB 3.38Å; C195-D198 PolarHBondContact O-N 3.06Å; C195-D198 VanDerWaalsContact SG-CG 3.54Å; C195-D198 PolarHBondContact SG-OD2 2.94Å; C195-D198 VanDerWaalsContact SG-OD2 3.33Å; C195-N372 PolarHBondContact SG-ND2 3.49Å; C195-N372 VanDerWaalsContact SG-ND2 3.4Å
196	G	94.1	Very high	98	Very high	10 Å²	10	19.1 Å²	19.1	10%	0.103	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-1.5	-175.5	0	0	0	0	0	117.5	T106 I113	T106-G196 PolarHBondContact O-N 2.82Å; I113-G196 VanDerWaalsContact CG2-O 3.3Å; I113-G196 WeakPolarHBondContact CG2-O 3.2Å
197	Q	95.6	Very high	98.1	Very high	32 Å²	32	17.4 Å²	17.4	15%	0.15	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.7	12.5	176.4	-58.9	-174.2	-88.6	0	0	112.9	C195 K373 F374 E375	C195-Q197 PolarHBondContact O-N 3.37Å; Q197-K373 HydrophobicContact CB-CB 3.89Å; Q197-K373 WeakPolarHBondContact O-CA 3.44Å; Q197-F374 PolarHBondContact NE2-O 3Å; Q197-F374 VanDerWaalsContact NE2-O 3.08Å; Q197-F374 PolarHBondContact O-N 3.47Å; Q197-F374 VanDerWaalsContact O-N 3.11Å; Q197-E375 VanDerWaalsContact NE2-CG 3.28Å
198	D	97.9	Very high	98.1	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	154.5	172.7	-69.5	-36.3	0	0	0	111.6	M117 L194 C195 R329 A371 N372	M117-D198 HydrophobicContact SD-CB 4.17Å; M117-D198 VanDerWaalsContact SD-O 3.37Å; L194-D198 WeakPolarHBondContact CA-OD2 3.34Å; L194-D198 HydrophobicContact CD2-CB 4.49Å; C195-D198 PolarHBondContact N-OD2 3.13Å; C195-D198 WeakPolarHBondContact O-CB 3.38Å; C195-D198 PolarHBondContact O-N 3.06Å; C195-D198 VanDerWaalsContact SG-CG 3.54Å; C195-D198 PolarHBondContact SG-OD2 2.94Å; C195-D198 VanDerWaalsContact SG-OD2 3.33Å; D198-R329 IonicContact OD1-CZ 3.13Å; D198-R329 IonicContact OD1-NE 3.63Å; D198-R329 IonicContact OD1-NH1 2.84Å; D198-R329 IonicContact OD2-CZ 2.7Å; D198-R329 IonicContact OD2-NE 2.76Å; D198-R329 IonicContact OD2-NH1 3.17Å; D198-R329 PolarHBondContact OD2-NH1 3.41Å; D198-R329 IonicContact OD2-NH2 2.73Å; D198-A371 WeakPolarHBondContact CA-O 3.28Å; D198-N372 VanDerWaalsContact OD1-CB 3.26Å; D198-N372 WeakPolarHBondContact OD1-CB 3.28Å; D198-N372 PolarHBondContact OD1-ND2 3.1Å
199	F	98.3	Very high	98.1	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	142	168.7	-153.4	-96.5	0	0	0	111.3	R116 M117 A120 F370 A371 F374 L383 L386 E387 H390	R116-F199 HydrophobicContact CB-CE2 4.02Å; M117-F199 HydrophobicContact CB-CD2 4.41Å; A120-F199 HydrophobicContact CB-CE1 4.22Å; A120-F199 HydrophobicContact CB-CE2 4.18Å; A120-F199 HydrophobicContact CB-CZ 3.7Å; F199-F370 CarbonylContact O-C 3.55Å; F199-F370 WeakPolarHBondContact O-CA 3.49Å; F199-A371 PolarHBondContact N-O 3.42Å; F199-A371 VanDerWaalsContact N-O 3.13Å; F199-A371 PolarHBondContact O-N 2.98Å; F199-F374 HydrophobicContact CB-CD2 3.72Å; F199-F374 HydrophobicContact CB-CE2 3.5Å; F199-F374 HydrophobicContact CB-CZ 4.25Å; F199-L383 HydrophobicContact CB-CD1 4.08Å; F199-L383 HydrophobicContact CD1-CD1 4.24Å; F199-L383 HydrophobicContact CD2-CD1 3.4Å; F199-L383 VanDerWaalsContact CD2-CD1 3.4Å; F199-L383 HydrophobicContact CE2-CD1 3.83Å; F199-L383 HydrophobicContact CG-CD1 3.62Å; F199-L383 HydrophobicContact CZ-CD1 4.42Å; F199-L386 HydrophobicContact CB-CD2 4.19Å; F199-L386 HydrophobicContact CD1-CD2 3.7Å; F199-L386 HydrophobicContact CD1-CG 3.85Å; F199-L386 HydrophobicContact CE1-CG 4.32Å; F199-L386 HydrophobicContact CG-CD2 4.33Å; F199-E387 HydrophobicContact CE1-CB 3.92Å; F199-E387 HydrophobicContact CE1-CG 4.39Å; F199-E387 HydrophobicContact CZ-CB 3.59Å; F199-E387 HydrophobicContact CZ-CG 3.75Å; F199-H390 HydrophobicContact CE1-CB 4.5Å
200	P	98.4	Very high	98.1	Very high	1 Å²	1	15 Å²	15	1%	0.006	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	144.8	-179.1	28.7	-36.5	0	0	0	112.9	A120 I121 F370 H390	A120-P200 HydrophobicContact CB-CG 3.52Å; I121-P200 HydrophobicContact CG2-CB 4.11Å; I121-P200 HydrophobicContact CG2-CG 3.84Å; P200-F370 VanDerWaalsContact CA-CD1 3.47Å; P200-F370 HydrophobicContact CB-CD1 3.87Å; P200-F370 HydrophobicContact CB-CE1 3.7Å; P200-H390 PolarHBondContact O-CD2 3.1Å
201	T	98	Very high	98.1	Very high	4 Å²	4	15 Å²	15	3%	0.025	8%	0.075	C	C	.	.	S	Bend	trans	-117.2	-24.4	171.9	43.3	0	0	0	0	111.8	I363 S368 M369 F370 A371 L386 W389 K393	T201-I363 HydrophobicContact CG2-CG2 3.3Å; T201-S368 PolarHBondContact OG1-O 3.43Å; T201-M369 PolarHBondContact N-O 3.49Å; T201-M369 PolarHBondContact OG1-O 2.03Å; T201-M369 VanDerWaalsContact OG1-O 3.06Å; T201-F370 PolarHBondContact OG1-N 3.22Å; T201-A371 HydrophobicContact CG2-CB 4.09Å; T201-L386 HydrophobicContact CG2-CD1 4.31Å; T201-L386 HydrophobicContact CG2-CD2 4.43Å; T201-W389 WeakPolarHBondContact O-CH2 3.39Å; T201-W389 VanDerWaalsContact O-CZ3 3.3Å; T201-W389 WeakPolarHBondContact O-CZ3 3.19Å; T201-K393 PolarHBondContact O-NZ 3.44Å
202	M	98.6	Very high	98.1	Very high	23 Å²	23	18.5 Å²	18.5	11%	0.113	9%	0.091	C	C	.	.	S	Bend	trans	-90.9	146.1	165.5	-73.7	-177.1	-175.3	0	0	111.3	E206 L207 Y210 K367 M369 H390	M202-E206 VanDerWaalsContact CA-OE2 3.24Å; M202-E206 WeakPolarHBondContact CA-OE2 3.49Å; M202-E206 HydrophobicContact CB-CB 3.9Å; M202-E206 HydrophobicContact CG-CB 4.12Å; M202-E206 HydrophobicContact SD-CB 4.43Å; M202-L207 HydrophobicContact CB-CD2 3.84Å; M202-L207 HydrophobicContact CB-CG 4.03Å; M202-L207 HydrophobicContact SD-CD2 4.06Å; M202-Y210 HydrophobicContact CE-CD1 4.5Å; M202-K367 WeakPolarHBondContact CE-O 3.18Å; M202-M369 PolarHBondContact N-O 2.89Å; M202-M369 VanDerWaalsContact N-O 3.12Å; M202-M369 HydrophobicContact SD-CB 4.35Å; M202-M369 HydrophobicContact SD-CG 3.93Å; M202-H390 PolarHBondContact O-NE2 2.95Å
203	S	98.8	Very high	98	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.007	10%	0.104	C	C	.	.			trans	-70.9	165.8	164.9	70.1	0	0	0	0	111	L205 E206 L207 Q397	S203-L205 VanDerWaalsContact C-N 3.31Å; S203-L205 PolarHBondContact O-N 2.86Å; S203-E206 PolarHBondContact N-OE2 3.33Å; S203-E206 PolarHBondContact O-N 3.44Å; S203-E206 VanDerWaalsContact O-N 3.16Å; S203-E206 WeakPolarHBondContact OG-CG 3.37Å; S203-E206 PolarHBondContact OG-N 3.48Å; S203-E206 VanDerWaalsContact OG-N 3.07Å; S203-E206 PolarHBondContact OG-OE2 3.17Å; S203-L207 WeakPolarHBondContact O-CG 3.44Å; S203-L207 PolarHBondContact O-N 2.97Å; S203-Q397 PolarHBondContact OG-OE1 2.58Å
204	N	98.8	Very high	97.8	Very high	7 Å²	7	27.7 Å²	27.7	4%	0.037	15%	0.149	C	C	.	.	H	α-helix	trans	-59.9	-41.7	174.4	-178.1	77.8	0	0	0	111.8	E96 M123 Q125 N126 E206 L207 V208	E96-N204 WeakPolarHBondContact CG-ND2 3.44Å; E96-N204 WeakPolarHBondContact OE1-CB 3.45Å; E96-N204 PolarHBondContact OE1-ND2 3.12Å; M123-N204 HydrophobicContact CE-CB 4.12Å; M123-N204 HydrophobicContact CG-CB 3.89Å; Q125-N204 PolarHBondContact NE2-ND2 3.09Å; N126-N204 PolarHBondContact ND2-OD1 2.71Å; N204-E206 VanDerWaalsContact C-N 3.34Å; N204-E206 PolarHBondContact O-N 3.43Å; N204-L207 WeakPolarHBondContact O-CB 3.36Å; N204-L207 PolarHBondContact O-N 3.29Å; N204-V208 WeakPolarHBondContact O-CB 3.33Å; N204-V208 VanDerWaalsContact O-CG2 3.31Å; N204-V208 WeakPolarHBondContact O-CG2 3.12Å; N204-V208 PolarHBondContact O-N 3.43Å
205	L	98.9	Very high	97.7	Very high	19 Å²	19	29.3 Å²	29.3	10%	0.099	17%	0.166	C	C	.	.	H	α-helix	trans	-56.8	-44.1	172.2	-179	62.7	0	0	0	112.6	E95 E96 S203 V208 Q209 Q397	E95-L205 HydrophobicContact CB-CD1 4.06Å; E95-L205 HydrophobicContact CG-CD1 4.15Å; E95-L205 WeakPolarHBondContact OE2-CD1 3.5Å; E96-L205 HydrophobicContact CG-CB 3.93Å; E96-L205 HydrophobicContact CG-CD1 3.89Å; E96-L205 PolarHBondContact OE1-N 2.76Å; S203-L205 VanDerWaalsContact C-N 3.31Å; S203-L205 PolarHBondContact O-N 2.86Å; L205-V208 WeakPolarHBondContact O-CB 3.36Å; L205-V208 PolarHBondContact O-N 3.37Å; L205-Q209 HydrophobicContact CD1-CG 4.35Å; L205-Q209 WeakPolarHBondContact O-CB 3.4Å; L205-Q209 WeakPolarHBondContact O-CG 2.99Å; L205-Q209 PolarHBondContact O-N 2.72Å; L205-Q397 HydrophobicContact CD2-CB 3.99Å; L205-Q397 HydrophobicContact CD2-CG 4.43Å
206	E	98.9	Very high	97.7	Very high	45 Å²	45	29.3 Å²	29.3	21%	0.21	16%	0.162	C	C	.	.	H	α-helix	trans	-68.1	-37.3	177.8	-74.2	174.8	140.8	0	0	112.8	M202 S203 N204 V208 Q209 Y210 K393	M202-E206 VanDerWaalsContact CA-OE2 3.24Å; M202-E206 WeakPolarHBondContact CA-OE2 3.49Å; M202-E206 HydrophobicContact CB-CB 3.9Å; M202-E206 HydrophobicContact CG-CB 4.12Å; M202-E206 HydrophobicContact SD-CB 4.43Å; S203-E206 PolarHBondContact N-OE2 3.33Å; S203-E206 PolarHBondContact O-N 3.44Å; S203-E206 VanDerWaalsContact O-N 3.16Å; S203-E206 WeakPolarHBondContact OG-CG 3.37Å; S203-E206 PolarHBondContact OG-N 3.48Å; S203-E206 VanDerWaalsContact OG-N 3.07Å; S203-E206 PolarHBondContact OG-OE2 3.17Å; N204-E206 VanDerWaalsContact C-N 3.34Å; N204-E206 PolarHBondContact O-N 3.43Å; E206-V208 VanDerWaalsContact C-N 3.34Å; E206-Q209 PolarHBondContact O-N 3.37Å; E206-Y210 WeakPolarHBondContact O-CB 3.22Å; E206-Y210 PolarHBondContact O-N 2.95Å; E206-K393 WeakPolarHBondContact OE1-CE 3.42Å; E206-K393 IonicContact OE1-NZ 2.9Å; E206-K393 PolarHBondContact OE1-NZ 3.22Å; E206-K393 WeakPolarHBondContact OE2-CE 3.44Å; E206-K393 IonicContact OE2-NZ 2.76Å; E206-K393 PolarHBondContact OE2-NZ 3.34Å
207	L	98.9	Very high	97.8	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.021	19%	0.187	C	C	.	.	H	α-helix	trans	-59.8	-48.1	172.4	-67.3	175.4	0	0	0	110.3	L101 F103 I192 M202 S203 N204 Y210 M211 M369 F370	L101-L207 HydrophobicContact CD1-CB 3.83Å; L101-L207 HydrophobicContact CD1-CD1 4.29Å; F103-L207 HydrophobicContact CE1-CD1 4.47Å; F103-L207 HydrophobicContact CZ-CD1 4.25Å; I192-L207 HydrophobicContact CD1-CD1 4.16Å; I192-L207 HydrophobicContact CD1-CD2 4.44Å; M202-L207 HydrophobicContact CB-CD2 3.84Å; M202-L207 HydrophobicContact CB-CG 4.03Å; M202-L207 HydrophobicContact SD-CD2 4.06Å; S203-L207 WeakPolarHBondContact O-CG 3.44Å; S203-L207 PolarHBondContact O-N 2.97Å; N204-L207 WeakPolarHBondContact O-CB 3.36Å; N204-L207 PolarHBondContact O-N 3.29Å; L207-Y210 PolarHBondContact O-N 2.9Å; L207-M211 VanDerWaalsContact O-CB 3.3Å; L207-M211 WeakPolarHBondContact O-CB 3.3Å; L207-M211 WeakPolarHBondContact O-CG 3.38Å; L207-M211 PolarHBondContact O-N 3.31Å; L207-M369 HydrophobicContact CD2-CB 3.63Å; L207-M369 HydrophobicContact CD2-CG 3.57Å; L207-M369 HydrophobicContact CD2-SD 3.93Å; L207-F370 HydrophobicContact CD1-CE2 4.36Å; L207-F370 HydrophobicContact CD1-CZ 4.02Å; L207-F370 HydrophobicContact CD2-CE2 4.19Å
208	V	98.8	Very high	97.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-58	-50.5	177.2	165.3	0	0	0	0	110.9	E95 E96 Y99 L101 N204 L205 E206 Y210 M211 Q212	E95-V208 HydrophobicContact CG-CG1 3.96Å; E96-V208 HydrophobicContact CG-CG2 4.48Å; Y99-V208 HydrophobicContact CD1-CB 4.5Å; Y99-V208 HydrophobicContact CD1-CG1 4.25Å; Y99-V208 HydrophobicContact CD1-CG2 4.16Å; Y99-V208 HydrophobicContact CG-CG1 4.08Å; L101-V208 HydrophobicContact CD1-CG2 4.18Å; L101-V208 HydrophobicContact CG-CG2 4.31Å; N204-V208 WeakPolarHBondContact O-CB 3.33Å; N204-V208 VanDerWaalsContact O-CG2 3.31Å; N204-V208 WeakPolarHBondContact O-CG2 3.12Å; N204-V208 PolarHBondContact O-N 3.43Å; L205-V208 WeakPolarHBondContact O-CB 3.36Å; L205-V208 PolarHBondContact O-N 3.37Å; E206-V208 VanDerWaalsContact C-N 3.34Å; V208-Y210 PolarHBondContact O-N 2.75Å; V208-M211 PolarHBondContact O-N 3.45Å; V208-Q212 WeakPolarHBondContact O-CB 2.97Å; V208-Q212 VanDerWaalsContact O-CG 3.28Å; V208-Q212 WeakPolarHBondContact O-CG 3.29Å; V208-Q212 PolarHBondContact O-N 3.45Å
209	Q	98.7	Very high	97.8	Very high	87 Å²	87	44.2 Å²	44.2	41%	0.407	23%	0.225	S	C	.	.	H	α-helix	trans	-62.6	-43.3	178.8	-76.9	173.8	-6.9	0	0	112.2	E95 L205 E206 Q212 S213	E95-Q209 WeakPolarHBondContact OE1-CG 3.26Å; E95-Q209 PolarHBondContact OE2-NE2 2.87Å; L205-Q209 HydrophobicContact CD1-CG 4.35Å; L205-Q209 WeakPolarHBondContact O-CB 3.4Å; L205-Q209 WeakPolarHBondContact O-CG 2.99Å; L205-Q209 PolarHBondContact O-N 2.72Å; E206-Q209 PolarHBondContact O-N 3.37Å; Q209-Q212 PolarHBondContact O-N 3.44Å; Q209-S213 PolarHBondContact O-N 2.87Å
210	Y	98.6	Very high	97.8	Very high	58 Å²	58	44.2 Å²	44.2	23%	0.227	23%	0.225	C	C	.	.	H	α-helix	trans	-65.8	-41.9	179.8	-175.1	-126.5	0	0	0	111.7	M202 E206 L207 V208 Q212 S213 W216 M221 G326 M369	M202-Y210 HydrophobicContact CE-CD1 4.5Å; E206-Y210 WeakPolarHBondContact O-CB 3.22Å; E206-Y210 PolarHBondContact O-N 2.95Å; L207-Y210 PolarHBondContact O-N 2.9Å; V208-Y210 PolarHBondContact O-N 2.75Å; Y210-Q212 VanDerWaalsContact C-N 3.31Å; Y210-Q212 PolarHBondContact O-N 2.88Å; Y210-S213 VanDerWaalsContact O-CB 3.31Å; Y210-S213 WeakPolarHBondContact O-CB 3.5Å; Y210-S213 PolarHBondContact O-N 2.69Å; Y210-S213 PolarHBondContact O-OG 3.33Å; Y210-W216 AromaticContact CE2-CD1 3.6Å; Y210-W216 AromaticContact CE2-NE1 3.58Å; Y210-W216 AromaticContact CZ-CD1 3.64Å; Y210-W216 AromaticContact CZ-NE1 3.33Å; Y210-W216 VanDerWaalsContact CZ-NE1 3.33Å; Y210-W216 PolarHBondContact OH-NE1 3.14Å; Y210-W216 VanDerWaalsContact OH-NE1 3.12Å; Y210-M221 HydrophobicContact CD1-CE 4.02Å; Y210-M221 HydrophobicContact CE1-CE 3.8Å; Y210-M221 HydrophobicContact CE1-SD 4.22Å; Y210-G326 VanDerWaalsContact CE1-O 3.31Å; Y210-G326 WeakPolarHBondContact CE1-O 3.2Å; Y210-G326 WeakPolarHBondContact OH-CA 3.46Å; Y210-G326 PolarHBondContact OH-O 3.46Å; Y210-M369 HydrophobicContact CD1-CE 3.46Å; Y210-M369 VanDerWaalsContact CD1-CE 3.46Å; Y210-M369 HydrophobicContact CD1-CG 4.41Å; Y210-M369 HydrophobicContact CE1-CE 3.69Å
211	M	98.2	Very high	97.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-69.9	-26	176.7	-72.3	-179.2	-179.4	0	0	113.7	Y99 L101 K190 I192 L207 V208 W216 R217 M221 A273 M369	Y99-M211 HydrophobicContact CE1-CB 3.96Å; Y99-M211 HydrophobicContact CE1-SD 4.37Å; L101-M211 HydrophobicContact CD1-SD 4.38Å; L101-M211 HydrophobicContact CD2-SD 3.46Å; L101-M211 WeakPolarHBondContact CD2-SD 3.28Å; K190-M211 HydrophobicContact CB-SD 3.84Å; K190-M211 HydrophobicContact CD-CB 3.94Å; K190-M211 HydrophobicContact CD-CG 3.84Å; K190-M211 HydrophobicContact CD-SD 3.75Å; K190-M211 HydrophobicContact CG-SD 4.32Å; I192-M211 HydrophobicContact CD1-CE 3.32Å; I192-M211 HydrophobicContact CG1-CE 3.45Å; I192-M211 VanDerWaalsContact CG1-CE 3.45Å; L207-M211 VanDerWaalsContact O-CB 3.3Å; L207-M211 WeakPolarHBondContact O-CB 3.3Å; L207-M211 WeakPolarHBondContact O-CG 3.38Å; L207-M211 PolarHBondContact O-N 3.31Å; V208-M211 PolarHBondContact O-N 3.45Å; M211-W216 CarbonylContact O-C 3.53Å; M211-R217 WeakPolarHBondContact O-CA 3.43Å; M211-R217 PolarHBondContact O-N 2.84Å; M211-M221 HydrophobicContact CG-CE 4.3Å; M211-A273 HydrophobicContact CE-CB 3.94Å; M211-M369 HydrophobicContact CE-CE 3.76Å; M211-M369 HydrophobicContact CE-SD 4.29Å; M211-M369 HydrophobicContact CG-CE 4.38Å
212	Q	97.9	Very high	97.8	Very high	75 Å²	75	44.6 Å²	44.6	35%	0.35	23%	0.227	S	C	.	.	H	α-helix	trans	-87.4	-9	174.5	-72.1	-173.6	101.7	0	0	113.7	E95 Y99 V208 Q209 Y210	E95-Q212 PolarHBondContact OE1-NE2 2.73Å; Y99-Q212 VanDerWaalsContact CD2-CD 3.45Å; Y99-Q212 HydrophobicContact CD2-CG 3.47Å; Y99-Q212 VanDerWaalsContact CD2-CG 3.47Å; Y99-Q212 HydrophobicContact CE1-CG 4.45Å; Y99-Q212 HydrophobicContact CE2-CG 3.36Å; Y99-Q212 HydrophobicContact CG-CG 4.09Å; V208-Q212 WeakPolarHBondContact O-CB 2.97Å; V208-Q212 VanDerWaalsContact O-CG 3.28Å; V208-Q212 WeakPolarHBondContact O-CG 3.29Å; V208-Q212 PolarHBondContact O-N 3.45Å; Q209-Q212 PolarHBondContact O-N 3.44Å; Y210-Q212 VanDerWaalsContact C-N 3.31Å; Y210-Q212 PolarHBondContact O-N 2.88Å
213	S	97.9	Very high	97.7	Very high	39 Å²	39	44 Å²	44	27%	0.273	23%	0.225	S	C	.	.	S	Bend	trans	-57.8	152.6	178.7	71.6	0	0	0	0	111.8	Q209 Y210 G215 W216 R217	Q209-S213 PolarHBondContact O-N 2.87Å; Y210-S213 VanDerWaalsContact O-CB 3.31Å; Y210-S213 WeakPolarHBondContact O-CB 3.5Å; Y210-S213 PolarHBondContact O-N 2.69Å; Y210-S213 PolarHBondContact O-OG 3.33Å; S213-G215 PolarHBondContact O-N 3.06Å; S213-W216 PolarHBondContact O-N 3.17Å; S213-R217 PolarHBondContact O-N 3.41Å
214	T	95	Very high	97.6	Very high	154 Å²	154	43.9 Å²	43.9	95%	0.945	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-29	-178.4	51.2	0	0	0	0	113.4
215	G	94.8	Very high	97.5	Very high	34 Å²	34	46 Å²	46	35%	0.351	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-22.5	176.9	0	0	0	0	0	114.6	S213 K219	S213-G215 PolarHBondContact O-N 3.06Å; G215-K219 WeakPolarHBondContact O-CD 3.46Å
216	W	97.4	Very high	97.4	Very high	23 Å²	23	51.3 Å²	51.3	9%	0.087	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.9	-15.4	-164.5	-67.4	123.1	0	0	0	116.2	K190 Y210 M211 S213 D218 K219 M221 E325	K190-W216 WeakPolarHBondContact CE-O 3.45Å; K190-W216 PolarHBondContact NZ-O 2.59Å; Y210-W216 AromaticContact CE2-CD1 3.6Å; Y210-W216 AromaticContact CE2-NE1 3.58Å; Y210-W216 AromaticContact CZ-CD1 3.64Å; Y210-W216 AromaticContact CZ-NE1 3.33Å; Y210-W216 VanDerWaalsContact CZ-NE1 3.33Å; Y210-W216 PolarHBondContact OH-NE1 3.14Å; Y210-W216 VanDerWaalsContact OH-NE1 3.12Å; M211-W216 CarbonylContact O-C 3.53Å; S213-W216 PolarHBondContact O-N 3.17Å; W216-D218 PolarHBondContact O-N 2.83Å; W216-D218 VanDerWaalsContact O-N 3.14Å; W216-K219 HydrophobicContact CE3-CB 4.03Å; W216-K219 HydrophobicContact CZ3-CB 4.42Å; W216-K219 PolarHBondContact O-N 3.23Å; W216-K219 VanDerWaalsContact O-N 3.09Å; W216-M221 HydrophobicContact CB-CE 3.49Å; W216-M221 VanDerWaalsContact CB-CE 3.49Å; W216-M221 HydrophobicContact CD2-CE 3.47Å; W216-M221 VanDerWaalsContact CD2-CE 3.47Å; W216-M221 HydrophobicContact CD2-CG 3.85Å; W216-M221 HydrophobicContact CD2-SD 4.34Å; W216-M221 HydrophobicContact CE3-CE 3.89Å; W216-M221 HydrophobicContact CE3-CG 3.35Å; W216-M221 HydrophobicContact CE3-SD 4.39Å; W216-M221 HydrophobicContact CG-CE 3.28Å; W216-M221 HydrophobicContact CH2-CG 3.99Å; W216-M221 HydrophobicContact CZ2-CG 4.42Å; W216-M221 HydrophobicContact CZ3-CB 4.23Å; W216-M221 HydrophobicContact CZ3-CG 3.44Å; W216-M221 VanDerWaalsContact CZ3-CG 3.44Å; W216-E325 HydrophobicContact CH2-CB 3.91Å; W216-E325 HydrophobicContact CZ2-CB 3.81Å
217	R	96.2	Very high	97.3	Very high	162 Å²	162	50.9 Å²	50.9	61%	0.611	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.9	-52.8	-178.6	-173.4	-176.4	174.7	167.6	0.4	112	K190 M211 S213	K190-R217 PolarHBondContact NZ-O 3.42Å; K190-R217 VanDerWaalsContact NZ-O 3.16Å; M211-R217 WeakPolarHBondContact O-CA 3.43Å; M211-R217 PolarHBondContact O-N 2.84Å; S213-R217 PolarHBondContact O-N 3.41Å
218	D	95.5	Very high	97.1	Very high	118 Å²	118	53 Å²	53	63%	0.631	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	15.7	-173	-49.6	-54.9	0	0	0	113	W216 G317	W216-D218 PolarHBondContact O-N 2.83Å; W216-D218 VanDerWaalsContact O-N 3.14Å; D218-G317 WeakPolarHBondContact O-CA 3.48Å
219	K	97.8	Very high	96.9	Very high	75 Å²	75	56.7 Å²	56.7	33%	0.326	30%	0.302	S	S	.	.			trans	-123.7	146.2	-176.3	-64.6	-172.1	-176.2	175.5	0	113.6	K190 G215 W216 G317 H319	K190-K219 PolarHBondContact NZ-O 3.42Å; G215-K219 WeakPolarHBondContact O-CD 3.46Å; W216-K219 HydrophobicContact CE3-CB 4.03Å; W216-K219 HydrophobicContact CZ3-CB 4.42Å; W216-K219 PolarHBondContact O-N 3.23Å; W216-K219 VanDerWaalsContact O-N 3.09Å; K219-G317 CarbonylContact C-O 3.48Å; K219-G317 WeakPolarHBondContact CA-O 3.4Å; K219-H319 PolarHBondContact NZ-CD2 3.08Å; K219-H319 PolarHBondContact NZ-NE2 3.21Å; K219-H319 VanDerWaalsContact NZ-NE2 3.2Å
220	N	98.4	Very high	96.6	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.314	C	S	.	.			trans	-79.9	150.5	165.2	-50.9	-51.5	0	0	0	110.2	L274 T275 F278 N310 P316 G317	N220-L274 HydrophobicContact CB-CD2 3.85Å; N220-T275 WeakPolarHBondContact OD1-CB 3.13Å; N220-T275 WeakPolarHBondContact OD1-CG2 3.27Å; N220-T275 PolarHBondContact OD1-N 3.47Å; N220-T275 PolarHBondContact OD1-OG1 3.09Å; N220-F278 WeakPolarHBondContact ND2-CD2 3.48Å; N220-F278 VanDerWaalsContact ND2-CG 3.32Å; N220-F278 WeakPolarHBondContact ND2-CG 3.45Å; N220-F278 WeakPolarHBondContact OD1-CB 3.38Å; N220-N310 WeakPolarHBondContact CB-OD1 3.13Å; N220-N310 PolarHBondContact ND2-OD1 3.4Å; N220-N310 PolarHBondContact O-ND2 2.76Å; N220-P316 PolarHBondContact ND2-O 2.76Å; N220-G317 PolarHBondContact N-O 3.11Å; N220-G317 VanDerWaalsContact ND2-C 3.31Å; N220-G317 PolarHBondContact ND2-O 2.76Å
221	M	98.4	Very high	96.4	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.005	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-108.9	105.1	173.8	-61.5	167.5	-170	0	0	108.9	Y210 M211 W216 Y272 A273 I328 M369	Y210-M221 HydrophobicContact CD1-CE 4.02Å; Y210-M221 HydrophobicContact CE1-CE 3.8Å; Y210-M221 HydrophobicContact CE1-SD 4.22Å; M211-M221 HydrophobicContact CG-CE 4.3Å; W216-M221 HydrophobicContact CB-CE 3.49Å; W216-M221 VanDerWaalsContact CB-CE 3.49Å; W216-M221 HydrophobicContact CD2-CE 3.47Å; W216-M221 VanDerWaalsContact CD2-CE 3.47Å; W216-M221 HydrophobicContact CD2-CG 3.85Å; W216-M221 HydrophobicContact CD2-SD 4.34Å; W216-M221 HydrophobicContact CE3-CE 3.89Å; W216-M221 HydrophobicContact CE3-CG 3.35Å; W216-M221 HydrophobicContact CE3-SD 4.39Å; W216-M221 HydrophobicContact CG-CE 3.28Å; W216-M221 HydrophobicContact CH2-CG 3.99Å; W216-M221 HydrophobicContact CZ2-CG 4.42Å; W216-M221 HydrophobicContact CZ3-CB 4.23Å; W216-M221 HydrophobicContact CZ3-CG 3.44Å; W216-M221 VanDerWaalsContact CZ3-CG 3.44Å; M221-Y272 VanDerWaalsContact O-CA 3.29Å; M221-Y272 WeakPolarHBondContact O-CA 3.11Å; M221-Y272 WeakPolarHBondContact O-CB 3.35Å; M221-A273 HydrophobicContact CB-CB 4.13Å; M221-A273 HydrophobicContact CG-CB 4.41Å; M221-A273 PolarHBondContact N-O 2.89Å; M221-A273 PolarHBondContact O-N 3.37Å; M221-A273 HydrophobicContact SD-CB 3.85Å; M221-I328 HydrophobicContact CB-CD1 3.71Å; M221-I328 HydrophobicContact CB-CG1 4.15Å; M221-I328 HydrophobicContact CG-CD1 4.24Å; M221-I328 HydrophobicContact SD-CD1 3.47Å; M221-I328 WeakPolarHBondContact SD-CD1 3.3Å; M221-M369 HydrophobicContact CE-CE 3.79Å; M221-M369 HydrophobicContact SD-CE 3.34Å; M221-M369 WeakPolarHBondContact SD-CE 3.33Å
222	T	97.5	Very high	96.2	Very high	11 Å²	11	63.8 Å²	63.8	7%	0.067	34%	0.344	C	S	.	.			trans	-132.7	77.7	174.7	61.8	0	0	0	0	109	G224 L274 F306 N310	T222-G224 PolarHBondContact O-N 2.04Å; T222-L274 HydrophobicContact CG2-CD2 3.6Å; T222-F306 HydrophobicContact CG2-CB 4.26Å; T222-N310 HydrophobicContact CG2-CB 3.99Å; T222-N310 VanDerWaalsContact OG1-CB 3.24Å; T222-N310 WeakPolarHBondContact OG1-CB 3.13Å; T222-N310 PolarHBondContact OG1-ND2 3.04Å
223	P	96.5	Very high	96	Very high	10 Å²	10	64.6 Å²	64.6	7%	0.065	35%	0.348	C	S	.	.			trans	-56.4	123.4	-174.7	-18.6	27.3	0	0	0	110.7	G268 T269 G323 W324 E325 I328	P223-G268 WeakPolarHBondContact O-CA 3.24Å; P223-T269 PolarHBondContact O-N 2.68Å; P223-G323 CarbonylContact C-O 3.59Å; P223-G323 WeakPolarHBondContact CA-O 3.48Å; P223-W324 HydrophobicContact CB-CE3 3.97Å; P223-E325 WeakPolarHBondContact CG-O 3.39Å; P223-I328 HydrophobicContact CG-CG1 4.14Å
224	G	95.8	Very high	95.9	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.3	177.3	-177.5	0	0	0	0	0	113.6	T222 F267 G323	T222-G224 PolarHBondContact O-N 2.04Å; G224-F267 CarbonylContact C-O 3.44Å; G224-F267 WeakPolarHBondContact CA-O 3.19Å; G224-G323 PolarHBondContact N-O 3.29Å; G224-G323 CarbonylContact O-C 3.54Å; G224-G323 VanDerWaalsContact O-CA 3.24Å; G224-G323 WeakPolarHBondContact O-CA 3.34Å; G224-G323 VanDerWaalsContact O-O 3.12Å
225	V	96.8	Very high	95.9	Very high	51 Å²	51	56.8 Å²	56.8	31%	0.309	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	162.9	-178.2	-71.5	0	0	0	0	110.6	Q227 P228 Y266 F267 W324	V225-Q227 PolarHBondContact O-N 2.87Å; V225-P228 HydrophobicContact CG2-CG 4.31Å; V225-Y266 CarbonylContact O-C 3.57Å; V225-Y266 VanDerWaalsContact O-CA 3.3Å; V225-Y266 WeakPolarHBondContact O-CA 3.36Å; V225-F267 PolarHBondContact N-O 3.24Å; V225-F267 PolarHBondContact O-N 2.88Å; V225-W324 VanDerWaalsContact CG1-NE1 3.34Å; V225-W324 HydrophobicContact CG2-CZ2 4.42Å
226	K	97.1	Very high	95.9	Very high	130 Å²	130	62.6 Å²	62.6	57%	0.565	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52.4	135.7	172	-172.6	179.4	-179.6	-175.2	0	109.8	P228 Y266	K226-P228 VanDerWaalsContact O-CD 3.24Å; K226-P228 WeakPolarHBondContact O-CD 2.98Å; K226-Y266 VanDerWaalsContact CA-CD1 3.44Å; K226-Y266 HydrophobicContact CB-CD1 4.11Å; K226-Y266 HydrophobicContact CB-CE1 3.81Å
227	Q	96.7	Very high	95.8	Very high	36 Å²	36	63 Å²	63	17%	0.168	31%	0.31	C	S	.	.			trans	-45.4	114.5	-171.9	-179.4	178.6	41.7	0	0	112.2	V225 M231 T235 I265 F267	V225-Q227 PolarHBondContact O-N 2.87Å; Q227-M231 HydrophobicContact CG-CB 4.32Å; Q227-M231 PolarHBondContact NE2-O 3.17Å; Q227-T235 PolarHBondContact NE2-OG1 3.47Å; Q227-I265 HydrophobicContact CB-CB 4.1Å; Q227-I265 HydrophobicContact CB-CG2 4.15Å; Q227-I265 VanDerWaalsContact CB-O 3.28Å; Q227-I265 WeakPolarHBondContact CB-O 3.43Å; Q227-I265 PolarHBondContact N-O 2.75Å; Q227-F267 HydrophobicContact CB-CD2 3.91Å; Q227-F267 HydrophobicContact CB-CE2 4.46Å; Q227-F267 HydrophobicContact CG-CD2 3.64Å; Q227-F267 HydrophobicContact CG-CE2 3.87Å; Q227-F267 VanDerWaalsContact NE2-CE2 3.29Å
228	P	94.9	Very high	95.7	Very high	48 Å²	48	58.2 Å²	58.2	31%	0.312	29%	0.294	S	S	.	.			trans	-63.1	150	174.7	-23.7	34.7	0	0	0	111.7	V225 K226 T230 M231 K232	V225-P228 HydrophobicContact CG2-CG 4.31Å; K226-P228 VanDerWaalsContact O-CD 3.24Å; K226-P228 WeakPolarHBondContact O-CD 2.98Å; P228-T230 PolarHBondContact O-N 3.06Å; P228-M231 HydrophobicContact CB-CG 4.39Å; P228-M231 HydrophobicContact CG-CG 4.41Å; P228-M231 PolarHBondContact O-N 2.99Å; P228-K232 PolarHBondContact O-N 3.47Å
229	A	95.2	Very high	95.6	Very high	78 Å²	78	53.1 Å²	53.1	65%	0.645	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-56.9	-36	179.3	0	0	0	0	0	112.6	M231 K232	A229-M231 VanDerWaalsContact C-N 3.25Å; A229-M231 PolarHBondContact O-N 2.75Å; A229-K232 WeakPolarHBondContact O-CB 3.34Å; A229-K232 PolarHBondContact O-N 2.64Å
230	T	92.6	Very high	95.2	Very high	107 Å²	107	55 Å²	55	66%	0.656	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-63	-28.8	176.8	50.5	0	0	0	0	113	P228 H233	P228-T230 PolarHBondContact O-N 3.06Å; T230-H233 PolarHBondContact O-CE1 3.46Å; T230-H233 VanDerWaalsContact O-CE1 3.28Å; T230-H233 PolarHBondContact O-ND1 2.88Å
231	M	93.9	Very high	94.7	Very high	70 Å²	70	57.1 Å²	57.1	35%	0.345	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-91.2	-4.6	-178.8	-62.9	-57.6	177.6	0	0	113.8	Q227 P228 A229 H233 R234	Q227-M231 HydrophobicContact CG-CB 4.32Å; Q227-M231 PolarHBondContact NE2-O 3.17Å; P228-M231 HydrophobicContact CB-CG 4.39Å; P228-M231 HydrophobicContact CG-CG 4.41Å; P228-M231 PolarHBondContact O-N 2.99Å; A229-M231 VanDerWaalsContact C-N 3.25Å; A229-M231 PolarHBondContact O-N 2.75Å; M231-H233 PolarHBondContact O-N 3.31Å; M231-H233 VanDerWaalsContact O-N 3.12Å; M231-R234 WeakPolarHBondContact O-CB 3.2Å; M231-R234 PolarHBondContact O-N 2.82Å; M231-R234 VanDerWaalsContact O-N 3.12Å
232	K	94.1	Very high	94.1	Very high	117 Å²	117	61 Å²	61	51%	0.509	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-31.6	-179.2	-76.7	-176.3	176.5	-178.3	0	113.7	P228 A229 R234 T235 R236	P228-K232 PolarHBondContact O-N 3.47Å; A229-K232 WeakPolarHBondContact O-CB 3.34Å; A229-K232 PolarHBondContact O-N 2.64Å; K232-R234 PolarHBondContact O-N 2.64Å; K232-T235 PolarHBondContact O-N 2.74Å; K232-R236 WeakPolarHBondContact O-CB 3.48Å; K232-R236 PolarHBondContact O-N 3.35Å
233	H	93.2	Very high	93.4	Very high	93 Å²	93	65.3 Å²	65.3	43%	0.431	33%	0.332	S	S	.	.	H	α-helix	trans	-62.2	-27.4	-178.4	70	-86	0	0	0	113	T230 M231 T235 F237	T230-H233 PolarHBondContact O-CE1 3.46Å; T230-H233 VanDerWaalsContact O-CE1 3.28Å; T230-H233 PolarHBondContact O-ND1 2.88Å; M231-H233 PolarHBondContact O-N 3.31Å; M231-H233 VanDerWaalsContact O-N 3.12Å; H233-T235 VanDerWaalsContact C-N 3.34Å; H233-T235 PolarHBondContact O-N 3.28Å; H233-F237 HydrophobicContact CB-CD2 4.23Å; H233-F237 HydrophobicContact CB-CE2 4.3Å; H233-F237 WeakPolarHBondContact O-CD2 3.36Å; H233-F237 PolarHBondContact O-N 3.23Å
234	R	95.3	Very high	92.4	Very high	17 Å²	17	67.7 Å²	67.7	6%	0.064	36%	0.358	C	S	.	.	H	α-helix	trans	-70.2	-28.7	-178.3	-65.1	178.1	59.3	175	-1.7	113.7	M231 K232 F267 F299 S300 E303	M231-R234 WeakPolarHBondContact O-CB 3.2Å; M231-R234 PolarHBondContact O-N 2.82Å; M231-R234 VanDerWaalsContact O-N 3.12Å; K232-R234 PolarHBondContact O-N 2.64Å; R234-F267 HydrophobicContact CB-CZ 4.21Å; R234-F299 HydrophobicContact CB-CB 3.96Å; R234-F299 HydrophobicContact CG-CB 4.1Å; R234-F299 HydrophobicContact CG-CD1 3.95Å; R234-F299 HydrophobicContact CG-CG 4.43Å; R234-F299 PolarHBondContact NE-O 3.4Å; R234-F299 PolarHBondContact NH2-O 3.44Å; R234-F299 VanDerWaalsContact NH2-O 3.1Å; R234-F299 PolarHBondContact O-N 3.45Å; R234-S300 PolarHBondContact NH2-O 2.87Å; R234-S300 VanDerWaalsContact NH2-O 3.1Å; R234-S300 PolarHBondContact NH2-OG 3.07Å; R234-E303 IonicContact CZ-OE2 2.66Å; R234-E303 IonicContact NH1-OE2 3.58Å; R234-E303 PolarHBondContact NH1-OE2 3.05Å; R234-E303 IonicContact NH2-OE2 2.67Å; R234-E303 PolarHBondContact NH2-OE2 2.81Å
235	T	96.1	Very high	91.6	Very high	11 Å²	11	69.5 Å²	69.5	7%	0.067	37%	0.371	C	S	.	.	H	α-helix	trans	-111.9	-18.9	-179.7	61.6	0	0	0	0	113.7	Q227 K232 H233 K256 I265 F267 W294 T298	Q227-T235 PolarHBondContact NE2-OG1 3.47Å; K232-T235 PolarHBondContact O-N 2.74Å; H233-T235 VanDerWaalsContact C-N 3.34Å; H233-T235 PolarHBondContact O-N 3.28Å; T235-K256 WeakPolarHBondContact O-CD 3.17Å; T235-I265 HydrophobicContact CG2-CG2 4.43Å; T235-F267 HydrophobicContact CG2-CE2 3.81Å; T235-F267 HydrophobicContact CG2-CZ 3.79Å; T235-W294 HydrophobicContact CG2-CH2 4.07Å; T235-W294 HydrophobicContact CG2-CZ3 4.45Å; T235-T298 HydrophobicContact CG2-CG2 4.46Å
236	R	94.6	Very high	90.9	Very high	157 Å²	157	73 Å²	73	59%	0.592	38%	0.384	S	S	*	.	H	α-helix	trans	-72.5	-33.1	175.9	-178.6	177.3	-179.5	-178	1	112.5	K232 T255 K256	K232-R236 WeakPolarHBondContact O-CB 3.48Å; K232-R236 PolarHBondContact O-N 3.35Å; R236-T255 WeakPolarHBondContact O-CA 3.34Å; R236-K256 PolarHBondContact O-N 3.1Å
237	F	94.6	Very high	90.5	Very high	30 Å²	30	69.4 Å²	69.4	13%	0.132	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	144.1	-175.8	-59.1	-64.1	0	0	0	111.3	H233 H239 R250 H254 T255	H233-F237 HydrophobicContact CB-CD2 4.23Å; H233-F237 HydrophobicContact CB-CE2 4.3Å; H233-F237 WeakPolarHBondContact O-CD2 3.36Å; H233-F237 PolarHBondContact O-N 3.23Å; F237-H239 PolarHBondContact O-CE1 2.94Å; F237-H239 PolarHBondContact O-ND1 2.72Å; F237-R250 HydrophobicContact CB-CG 4.22Å; F237-R250 VanDerWaalsContact CD2-NH2 3.3Å; F237-R250 VanDerWaalsContact CG-CZ 3.49Å; F237-R250 VanDerWaalsContact CG-NH2 3.31Å; F237-H254 WeakPolarHBondContact CA-O 3.42Å; F237-T255 HydrophobicContact CD1-CG2 4.05Å; F237-T255 HydrophobicContact CE1-CG2 3.89Å
238	Q	94.3	Very high	90.1	Very high	63 Å²	63	67.8 Å²	67.8	29%	0.294	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	140.8	174.2	-174.9	171.5	50.6	0	0	110.6	V251 H254 K256 D297	Q238-V251 HydrophobicContact CB-CB 4.25Å; Q238-V251 HydrophobicContact CB-CG2 4.38Å; Q238-V251 HydrophobicContact CG-CB 4.4Å; Q238-V251 HydrophobicContact CG-CG2 4.04Å; Q238-V251 PolarHBondContact O-N 2.91Å; Q238-H254 HydrophobicContact CB-CB 3.93Å; Q238-H254 PolarHBondContact N-O 3.2Å; Q238-K256 HydrophobicContact CB-CG 4.33Å; Q238-D297 CarbonylContact C-O 3.47Å; Q238-D297 WeakPolarHBondContact CA-O 3.43Å; Q238-D297 HydrophobicContact CG-CB 3.94Å; Q238-D297 WeakPolarHBondContact CG-OD2 3.26Å; Q238-D297 PolarHBondContact NE2-OD2 3.42Å
239	H	93.3	Very high	89.7	Confident	11 Å²	11	67.9 Å²	67.9	5%	0.051	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	138.1	172.3	-64.1	73.1	0	0	0	108.1	F237 P249 R250 D297 F299	F237-H239 PolarHBondContact O-CE1 2.94Å; F237-H239 PolarHBondContact O-ND1 2.72Å; H239-P249 CarbonylContact C-O 3.21Å; H239-P249 VanDerWaalsContact CA-O 3.28Å; H239-P249 WeakPolarHBondContact CA-O 3.4Å; H239-R250 VanDerWaalsContact CD2-CA 3.44Å; H239-R250 WeakPolarHBondContact CD2-CA 3.49Å; H239-D297 PolarHBondContact N-O 2.98Å; H239-D297 CarbonylContact O-C 3.58Å; H239-D297 VanDerWaalsContact O-CA 3.28Å; H239-D297 WeakPolarHBondContact O-CA 3.46Å; H239-D297 VanDerWaalsContact O-CB 3.3Å; H239-D297 WeakPolarHBondContact O-CB 3.49Å; H239-F299 AromaticContact CD2-CD2 3.54Å; H239-F299 AromaticContact NE2-CD2 3.84Å
240	H	89.1	Confident	89.4	Confident	113 Å²	113	70.1 Å²	70.1	52%	0.523	36%	0.358	S	S	.	.			trans	-111.4	116.4	-179.6	-178.1	60.3	0	0	0	109.2	I242 P249 V251	H240-I242 VanDerWaalsContact CD2-CG1 3.48Å; H240-I242 WeakPolarHBondContact CD2-CG1 3.49Å; H240-I242 PolarHBondContact O-N 2.84Å; H240-P249 PolarHBondContact N-O 2.8Å; H240-P249 WeakPolarHBondContact O-CD 3.2Å; H240-P249 WeakPolarHBondContact O-CG 3.48Å; H240-V251 HydrophobicContact CB-CG2 3.75Å
241	E	89.8	Confident	89.1	Confident	45 Å²	45	66.5 Å²	66.5	21%	0.21	34%	0.336	C	S	.	.			trans	-78.5	112.5	175.7	-170	176.2	163.4	0	0	110.5	T164 G167 F168 S169	T164-E241 WeakPolarHBondContact CB-OE1 3.35Å; T164-E241 HydrophobicContact CG2-CG 4.07Å; G167-E241 VanDerWaalsContact C-OE2 3.3Å; G167-E241 VanDerWaalsContact CA-OE2 3.28Å; G167-E241 WeakPolarHBondContact CA-OE2 3.35Å; F168-E241 WeakPolarHBondContact CA-OE2 3.29Å; F168-E241 PolarHBondContact N-OE2 2.69Å; S169-E241 WeakPolarHBondContact CB-OE1 3.2Å; S169-E241 PolarHBondContact N-OE2 2.88Å; S169-E241 PolarHBondContact OG-OE1 2.78Å
242	I	85.5	Confident	88.6	Confident	84 Å²	84	67.7 Å²	67.7	43%	0.431	35%	0.349	S	S	.	.			trans	-96.7	118.8	176.2	-58	171.8	0	0	0	108	H240 G244 S245 P249	H240-I242 VanDerWaalsContact CD2-CG1 3.48Å; H240-I242 WeakPolarHBondContact CD2-CG1 3.49Å; H240-I242 PolarHBondContact O-N 2.84Å; I242-G244 PolarHBondContact O-N 2.83Å; I242-S245 WeakPolarHBondContact O-CB 3.35Å; I242-S245 PolarHBondContact O-N 3.39Å; I242-P249 HydrophobicContact CD1-CG 3.96Å; I242-P249 HydrophobicContact CG1-CG 4.43Å
243	V	82.6	Confident	88	Confident	101 Å²	101	73.6 Å²	73.6	61%	0.612	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	124.7	178.7	178.6	0	0	0	0	110.1	K162 S245	K162-V243 HydrophobicContact CB-CG1 4.29Å; K162-V243 HydrophobicContact CD-CG1 3.56Å; V243-S245 VanDerWaalsContact C-N 3.34Å
244	G	74.6	Confident	87.7	Confident	59 Å²	59	74 Å²	74	61%	0.608	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.7	-11.3	-177.4	0	0	0	0	0	114.5	I242	I242-G244 PolarHBondContact O-N 2.83Å
245	S	80.5	Confident	87.6	Confident	38 Å²	38	77.6 Å²	77.6	27%	0.266	39%	0.394	S	S	.	.			trans	-67.3	146.7	166.8	-177.3	0	0	0	0	110.5	T164 I242 V243 V247	T164-S245 WeakPolarHBondContact CG2-O 3.24Å; T164-S245 PolarHBondContact OG1-O 2.71Å; T164-S245 VanDerWaalsContact OG1-O 3.05Å; I242-S245 WeakPolarHBondContact O-CB 3.35Å; I242-S245 PolarHBondContact O-N 3.39Å; V243-S245 VanDerWaalsContact C-N 3.34Å; S245-V247 PolarHBondContact OG-N 3.44Å; S245-V247 PolarHBondContact OG-O 3.08Å
246	H	81.8	Confident	87.5	Confident	125 Å²	125	78.4 Å²	78.4	58%	0.579	40%	0.396	S	S	*	.	S	Bend	trans	-66.4	-44.1	174.6	-172.7	68	0	0	0	111.6	Y165 R350	Y165-H246 WeakPolarHBondContact CB-O 3.26Å; Y165-H246 PolarHBondContact N-O 3.09Å; H246-R350 PolarHBondContact NE2-NH2 3.31Å
247	V	88.5	Confident	87.6	Confident	54 Å²	54	75 Å²	75	33%	0.327	40%	0.395	S	S	.	.	B	Isolated β-bridge	trans	-129.2	150.7	-177.2	62.6	0	0	0	0	111.1	Y165 A166 S245 P249 F299	Y165-V247 HydrophobicContact CD1-CB 4.13Å; Y165-V247 HydrophobicContact CD1-CG2 3.78Å; Y165-V247 HydrophobicContact CE1-CG2 4.39Å; Y165-V247 VanDerWaalsContact O-CA 3.31Å; Y165-V247 WeakPolarHBondContact O-CA 3.33Å; A166-V247 HydrophobicContact CB-CG2 4.36Å; S245-V247 PolarHBondContact OG-N 3.44Å; S245-V247 PolarHBondContact OG-O 3.08Å; V247-P249 WeakPolarHBondContact O-CD 3.29Å; V247-F299 HydrophobicContact CG2-CE2 3.95Å; V247-F299 HydrophobicContact CG2-CZ 4.36Å
248	A	87	Confident	87.7	Confident	3 Å²	3	78.9 Å²	78.9	3%	0.025	42%	0.423	C	S	.	.			trans	-72.2	108.1	171.8	0	0	0	0	0	111.2	Y165	Y165-A248 PolarHBondContact O-N 3.31Å
249	P	86.9	Confident	87.8	Confident	50 Å²	50	77.2 Å²	77.2	33%	0.325	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-68.6	147.3	178.4	28.3	-38.6	0	0	0	112.4	H239 H240 I242 V247	H239-P249 CarbonylContact C-O 3.21Å; H239-P249 VanDerWaalsContact CA-O 3.28Å; H239-P249 WeakPolarHBondContact CA-O 3.4Å; H240-P249 PolarHBondContact N-O 2.8Å; H240-P249 WeakPolarHBondContact O-CD 3.2Å; H240-P249 WeakPolarHBondContact O-CG 3.48Å; I242-P249 HydrophobicContact CD1-CG 3.96Å; I242-P249 HydrophobicContact CG1-CG 4.43Å; V247-P249 WeakPolarHBondContact O-CD 3.29Å
250	R	88.4	Confident	88.1	Confident	124 Å²	124	78.3 Å²	78.3	47%	0.468	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	137.3	168.4	-178.8	177.7	167.4	-171.6	-4.4	110.3	F237 H239 P252	F237-R250 HydrophobicContact CB-CG 4.22Å; F237-R250 VanDerWaalsContact CD2-NH2 3.3Å; F237-R250 VanDerWaalsContact CG-CZ 3.49Å; F237-R250 VanDerWaalsContact CG-NH2 3.31Å; H239-R250 VanDerWaalsContact CD2-CA 3.44Å; H239-R250 WeakPolarHBondContact CD2-CA 3.49Å; R250-P252 WeakPolarHBondContact O-CD 3.28Å
251	V	86.5	Confident	88.5	Confident	31 Å²	31	77.6 Å²	77.6	19%	0.188	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	116.4	169.5	-171.4	0	0	0	0	108.9	Q238 H240 H254	Q238-V251 HydrophobicContact CB-CB 4.25Å; Q238-V251 HydrophobicContact CB-CG2 4.38Å; Q238-V251 HydrophobicContact CG-CB 4.4Å; Q238-V251 HydrophobicContact CG-CG2 4.04Å; Q238-V251 PolarHBondContact O-N 2.91Å; H240-V251 HydrophobicContact CB-CG2 3.75Å; V251-H254 HydrophobicContact CB-CB 4.16Å; V251-H254 HydrophobicContact CG1-CB 3.89Å; V251-H254 WeakPolarHBondContact CG1-ND1 3.3Å
252	P	84.5	Confident	88.8	Confident	96 Å²	96	83 Å²	83	62%	0.623	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.5	140.3	-178.8	-23.5	35	0	0	0	111.9	R250 H254	R250-P252 WeakPolarHBondContact O-CD 3.28Å; P252-H254 PolarHBondContact O-N 3.07Å; P252-H254 PolarHBondContact O-ND1 3.18Å
253	R	80.2	Confident	89.4	Confident	240 Å²	240	79.8 Å²	79.8	91%	0.906	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	62.1	6.8	174.1	-50.8	-179.5	-174	-170.8	1.3	116.1
254	H	87.4	Confident	90.1	Very high	102 Å²	102	81.6 Å²	81.6	47%	0.472	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	106.2	175.9	-71.2	67.5	0	0	0	110	F237 Q238 V251 P252	F237-H254 WeakPolarHBondContact CA-O 3.42Å; Q238-H254 HydrophobicContact CB-CB 3.93Å; Q238-H254 PolarHBondContact N-O 3.2Å; V251-H254 HydrophobicContact CB-CB 4.16Å; V251-H254 HydrophobicContact CG1-CB 3.89Å; V251-H254 WeakPolarHBondContact CG1-ND1 3.3Å; P252-H254 PolarHBondContact O-N 3.07Å; P252-H254 PolarHBondContact O-ND1 3.18Å
255	T	93.4	Very high	91.2	Very high	92 Å²	92	79.5 Å²	79.5	56%	0.564	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.6	138.5	175.3	50.3	0	0	0	0	110.8	R236 F237	R236-T255 WeakPolarHBondContact O-CA 3.34Å; F237-T255 HydrophobicContact CD1-CG2 4.05Å; F237-T255 HydrophobicContact CE1-CG2 3.89Å
256	K	94.9	Very high	92	Very high	28 Å²	28	79.7 Å²	79.7	12%	0.122	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-79.7	149.5	176.7	-68.2	-177.5	54.1	65.2	0	111.4	T235 R236 Q238 W294 D297 T298	T235-K256 WeakPolarHBondContact O-CD 3.17Å; R236-K256 PolarHBondContact O-N 3.1Å; Q238-K256 HydrophobicContact CB-CG 4.33Å; K256-W294 WeakPolarHBondContact CE-O 3.48Å; K256-W294 PolarHBondContact NZ-O 3.26Å; K256-D297 IonicContact NZ-OD1 2.75Å; K256-D297 PolarHBondContact NZ-OD1 3.19Å; K256-D297 IonicContact NZ-OD2 2.76Å; K256-T298 HydrophobicContact CD-CG2 3.8Å; K256-T298 VanDerWaalsContact CE-CG2 3.41Å
257	P	95.7	Very high	92.7	Very high	87 Å²	87	74.2 Å²	74.2	57%	0.565	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-63.5	163.4	166.5	30.1	-35.3	0	0	0	110.4	W294	P257-W294 PolarHBondContact O-NE1 2.97Å
258	P	96.4	Very high	93	Very high	110 Å²	110	72.2 Å²	72.2	71%	0.714	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-52	152.9	169.8	-23.6	34	0	0	0	111.7	W294	P258-W294 PolarHBondContact O-NE1 2.9Å
259	P	97.4	Very high	93.4	Very high	29 Å²	29	73.2 Å²	73.2	19%	0.188	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-60.5	147.2	175.1	28.9	-36.4	0	0	0	110.9	L263 I265 F291 W294	P259-L263 HydrophobicContact CB-CB 4.27Å; P259-L263 HydrophobicContact CG-CB 4.47Å; P259-L263 WeakPolarHBondContact CG-O 3.08Å; P259-I265 HydrophobicContact CB-CD1 3.8Å; P259-I265 HydrophobicContact CG-CD1 3.91Å; P259-I265 HydrophobicContact CG-CG1 4.2Å; P259-F291 HydrophobicContact CB-CE2 4.4Å; P259-W294 HydrophobicContact CB-CD2 4.26Å; P259-W294 HydrophobicContact CB-CE3 4.45Å; P259-W294 HydrophobicContact CB-CH2 4.15Å; P259-W294 HydrophobicContact CB-CZ2 3.99Å; P259-W294 HydrophobicContact CB-CZ3 4.41Å
260	P	97.9	Very high	93.8	Very high	33 Å²	33	71.3 Å²	71.3	21%	0.214	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-63.3	165.6	-179.8	29.2	-36.1	0	0	0	111.1	N262 L263 D290 F291 W294	P260-N262 PolarHBondContact O-N 3.13Å; P260-L263 WeakPolarHBondContact O-CB 3.32Å; P260-L263 WeakPolarHBondContact O-CD1 3.31Å; P260-L263 WeakPolarHBondContact O-CG 3.41Å; P260-L263 PolarHBondContact O-N 2.99Å; P260-L263 VanDerWaalsContact O-N 3.08Å; P260-D290 HydrophobicContact CB-CB 4.14Å; P260-D290 HydrophobicContact CG-CB 4.05Å; P260-F291 HydrophobicContact CG-CB 4.34Å; P260-W294 HydrophobicContact CG-CB 4.24Å
261	H	97.6	Very high	94.3	Very high	99 Å²	99	67 Å²	67	46%	0.458	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	55.6	21.1	176.8	-54.2	-65.6	0	0	0	114.9	L263 I287 D290	H261-L263 HydrophobicContact CB-CG 4.16Å; H261-L263 PolarHBondContact O-N 2.76Å; H261-I287 HydrophobicContact CB-CG2 4.47Å; H261-D290 IonicContact CD2-OD2 3.48Å; H261-D290 IonicContact CE1-OD2 3.61Å; H261-D290 PolarHBondContact CE1-OD2 3.35Å; H261-D290 IonicContact NE2-OD2 3.64Å; H261-D290 PolarHBondContact NE2-OD2 2.95Å
262	N	96.5	Very high	94.9	Very high	157 Å²	157	65.7 Å²	65.7	84%	0.84	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	53.8	33.1	-175.1	-164.3	31.2	0	0	0	112.9	P260 K264	P260-N262 PolarHBondContact O-N 3.13Å; N262-K264 PolarHBondContact O-N 2.66Å
263	L	97.8	Very high	95.5	Very high	18 Å²	18	61.1 Å²	61.1	9%	0.094	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-62.4	136.5	-178.8	-69.4	169.3	0	0	0	110.9	P259 P260 H261 I287 F291 T308 I312	P259-L263 HydrophobicContact CB-CB 4.27Å; P259-L263 HydrophobicContact CG-CB 4.47Å; P259-L263 WeakPolarHBondContact CG-O 3.08Å; P260-L263 WeakPolarHBondContact O-CB 3.32Å; P260-L263 WeakPolarHBondContact O-CD1 3.31Å; P260-L263 WeakPolarHBondContact O-CG 3.41Å; P260-L263 PolarHBondContact O-N 2.99Å; P260-L263 VanDerWaalsContact O-N 3.08Å; H261-L263 HydrophobicContact CB-CG 4.16Å; H261-L263 PolarHBondContact O-N 2.76Å; L263-I287 HydrophobicContact CD1-CG2 4.31Å; L263-I287 HydrophobicContact CD2-CG2 4.35Å; L263-F291 HydrophobicContact CD1-CB 3.77Å; L263-F291 HydrophobicContact CD1-CD1 4.34Å; L263-F291 HydrophobicContact CD1-CD2 3.64Å; L263-F291 HydrophobicContact CD1-CE2 4.32Å; L263-F291 HydrophobicContact CD1-CG 3.66Å; L263-T308 HydrophobicContact CB-CG2 4.46Å; L263-I312 HydrophobicContact CD2-CG2 3.53Å
264	K	97.3	Very high	96.4	Very high	139 Å²	139	49.7 Å²	49.7	60%	0.604	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-87.7	125.7	167.5	-68.9	175.5	-176.1	167	0	107.9	N262 Y266 T308	N262-K264 PolarHBondContact O-N 2.66Å; K264-Y266 HydrophobicContact CB-CE2 4.03Å; K264-Y266 VanDerWaalsContact O-CD2 3.23Å; K264-Y266 WeakPolarHBondContact O-CD2 3.34Å; K264-T308 WeakPolarHBondContact O-CG2 3.3Å
265	I	98	Very high	97	Very high	14 Å²	14	45.7 Å²	45.7	7%	0.072	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-76	135.4	-179.2	-53.3	-55.9	0	0	0	110.7	Q227 T235 P259 F267 F291 W294 H304 T308	Q227-I265 HydrophobicContact CB-CB 4.1Å; Q227-I265 HydrophobicContact CB-CG2 4.15Å; Q227-I265 VanDerWaalsContact CB-O 3.28Å; Q227-I265 WeakPolarHBondContact CB-O 3.43Å; Q227-I265 PolarHBondContact N-O 2.75Å; T235-I265 HydrophobicContact CG2-CG2 4.43Å; P259-I265 HydrophobicContact CB-CD1 3.8Å; P259-I265 HydrophobicContact CG-CD1 3.91Å; P259-I265 HydrophobicContact CG-CG1 4.2Å; I265-F267 HydrophobicContact CG2-CD2 3.86Å; I265-F267 HydrophobicContact CG2-CE2 3.64Å; I265-F291 HydrophobicContact CD1-CE2 3.55Å; I265-F291 HydrophobicContact CD1-CZ 3.81Å; I265-W294 HydrophobicContact CD1-CH2 3.95Å; I265-W294 HydrophobicContact CD1-CZ3 3.96Å; I265-W294 HydrophobicContact CG1-CH2 4.29Å; I265-H304 HydrophobicContact CG2-CB 4.16Å; I265-T308 HydrophobicContact CD1-CG2 4.32Å
266	Y	98.3	Very high	97.2	Very high	43 Å²	43	45.3 Å²	45.3	17%	0.169	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	144.7	170.1	-71.5	-109.3	0	0	0	109.5	V225 K226 K264 H304 T308 H311	V225-Y266 CarbonylContact O-C 3.57Å; V225-Y266 VanDerWaalsContact O-CA 3.3Å; V225-Y266 WeakPolarHBondContact O-CA 3.36Å; K226-Y266 VanDerWaalsContact CA-CD1 3.44Å; K226-Y266 HydrophobicContact CB-CD1 4.11Å; K226-Y266 HydrophobicContact CB-CE1 3.81Å; K264-Y266 HydrophobicContact CB-CE2 4.03Å; K264-Y266 VanDerWaalsContact O-CD2 3.23Å; K264-Y266 WeakPolarHBondContact O-CD2 3.34Å; Y266-H304 VanDerWaalsContact O-CA 3.27Å; Y266-H304 WeakPolarHBondContact O-CA 3.14Å; Y266-H304 WeakPolarHBondContact O-CB 3.48Å; Y266-T308 PolarHBondContact N-OG1 2.76Å; Y266-T308 PolarHBondContact O-OG1 2.76Å; Y266-H311 HydrophobicContact CD1-CB 4.45Å; Y266-H311 AromaticContact CD1-CD2 3.32Å; Y266-H311 WeakPolarHBondContact CD1-CD2 3.26Å; Y266-H311 AromaticContact CD1-CE1 3.67Å; Y266-H311 AromaticContact CD1-CG 3.67Å; Y266-H311 AromaticContact CD1-ND1 3.86Å; Y266-H311 AromaticContact CD1-NE2 3.31Å; Y266-H311 VanDerWaalsContact CD1-NE2 3.31Å; Y266-H311 WeakPolarHBondContact CD1-NE2 3.45Å; Y266-H311 HydrophobicContact CD2-CB 3.8Å; Y266-H311 AromaticContact CD2-CG 3.88Å; Y266-H311 HydrophobicContact CE1-CB 4.39Å; Y266-H311 AromaticContact CE1-CD2 3.08Å; Y266-H311 WeakPolarHBondContact CE1-CD2 3.42Å; Y266-H311 AromaticContact CE1-CG 3.76Å; Y266-H311 AromaticContact CE1-NE2 3.41Å; Y266-H311 WeakPolarHBondContact CE1-NE2 3.42Å; Y266-H311 HydrophobicContact CE2-CB 3.73Å; Y266-H311 AromaticContact CE2-CG 3.97Å; Y266-H311 HydrophobicContact CG-CB 4.21Å; Y266-H311 AromaticContact CG-CD2 3.92Å; Y266-H311 AromaticContact CG-CG 3.77Å; Y266-H311 AromaticContact CG-ND1 3.89Å; Y266-H311 AromaticContact CZ-CD2 3.48Å; Y266-H311 VanDerWaalsContact CZ-CD2 3.48Å; Y266-H311 AromaticContact CZ-CG 3.91Å
267	F	97.1	Very high	97.4	Very high	10 Å²	10	49.2 Å²	49.2	4%	0.044	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	142.3	178.5	-94.9	-93.7	0	0	0	110.3	G224 V225 Q227 R234 T235 I265 E303 H304	G224-F267 CarbonylContact C-O 3.44Å; G224-F267 WeakPolarHBondContact CA-O 3.19Å; V225-F267 PolarHBondContact N-O 3.24Å; V225-F267 PolarHBondContact O-N 2.88Å; Q227-F267 HydrophobicContact CB-CD2 3.91Å; Q227-F267 HydrophobicContact CB-CE2 4.46Å; Q227-F267 HydrophobicContact CG-CD2 3.64Å; Q227-F267 HydrophobicContact CG-CE2 3.87Å; Q227-F267 VanDerWaalsContact NE2-CE2 3.29Å; R234-F267 HydrophobicContact CB-CZ 4.21Å; T235-F267 HydrophobicContact CG2-CE2 3.81Å; T235-F267 HydrophobicContact CG2-CZ 3.79Å; I265-F267 HydrophobicContact CG2-CD2 3.86Å; I265-F267 HydrophobicContact CG2-CE2 3.64Å; F267-E303 CarbonylContact C-O 3.59Å; F267-E303 WeakPolarHBondContact CA-O 3.23Å; F267-E303 HydrophobicContact CD1-CB 4.24Å; F267-E303 HydrophobicContact CE1-CB 4.41Å; F267-H304 HydrophobicContact CD1-CB 4.2Å; F267-H304 HydrophobicContact CD2-CB 4Å; F267-H304 HydrophobicContact CE1-CB 4Å; F267-H304 AromaticContact CE1-ND1 3.93Å; F267-H304 HydrophobicContact CE2-CB 3.8Å; F267-H304 HydrophobicContact CG-CB 4.2Å; F267-H304 HydrophobicContact CZ-CB 3.81Å; F267-H304 AromaticContact CZ-CG 3.99Å; F267-H304 AromaticContact CZ-ND1 3.45Å; F267-H304 WeakPolarHBondContact CZ-ND1 3.27Å
268	G	94.8	Very high	97.5	Very high	11 Å²	11	45 Å²	45	11%	0.113	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	-142.1	-179.8	0	0	0	0	0	110.9	P223 E303	P223-G268 WeakPolarHBondContact O-CA 3.24Å; G268-E303 PolarHBondContact N-O 2.97Å
269	T	94	Very high	97.7	Very high	24 Å²	24	39.8 Å²	39.8	15%	0.147	20%	0.2	C	C	.	.			trans	-98.6	162.4	173.8	80.4	0	0	0	0	111.3	P223 Y271 W324	P223-T269 PolarHBondContact O-N 2.68Å; T269-Y271 PolarHBondContact O-N 2.78Å; T269-Y271 PolarHBondContact OG1-N 3.44Å; T269-Y271 PolarHBondContact OG1-O 3.29Å; T269-Y271 VanDerWaalsContact OG1-O 3.1Å; T269-W324 HydrophobicContact CG2-CZ3 3.79Å
270	A	96.4	Very high	97.7	Very high	11 Å²	11	40.8 Å²	40.8	9%	0.091	20%	0.203	C	C	.	.	S	Bend	trans	-68	-7.9	167.9	0	0	0	0	0	113.5	N193 D302 E303	N193-A270 PolarHBondContact ND2-O 2.84Å; A270-D302 HydrophobicContact CB-CB 4.05Å; A270-D302 WeakPolarHBondContact CB-OD2 3.23Å; A270-E303 HydrophobicContact CB-CG 4.5Å
271	Y	98.1	Very high	97.8	Very high	34 Å²	34	40 Å²	40	13%	0.133	20%	0.197	C	C	.	.			trans	-99.5	137.5	-174.3	-51.4	-61.9	0	0	0	112.4	N193 T269 R329 I331	N193-Y271 VanDerWaalsContact OD1-CA 3.28Å; N193-Y271 WeakPolarHBondContact OD1-CA 3.3Å; T269-Y271 PolarHBondContact O-N 2.78Å; T269-Y271 PolarHBondContact OG1-N 3.44Å; T269-Y271 PolarHBondContact OG1-O 3.29Å; T269-Y271 VanDerWaalsContact OG1-O 3.1Å; Y271-R329 HydrophobicContact CD2-CB 4.04Å; Y271-R329 HydrophobicContact CD2-CG 4.06Å; Y271-R329 HydrophobicContact CE2-CG 4.16Å; Y271-I331 HydrophobicContact CD2-CD1 4.17Å; Y271-I331 HydrophobicContact CE2-CD1 3.82Å
272	Y	98.5	Very high	97.8	Very high	3 Å²	3	35.4 Å²	35.4	1%	0.012	18%	0.176	C	C	.	.			trans	-149.8	165.6	-175	52	-105.4	0	0	0	112.8	D174 M178 N193 M221 L274 F306	D174-Y272 WeakPolarHBondContact CB-OH 3.22Å; D174-Y272 WeakPolarHBondContact OD2-CE1 3.22Å; D174-Y272 PolarHBondContact OD2-OH 2.78Å; M178-Y272 HydrophobicContact CE-CE2 3.79Å; M178-Y272 WeakPolarHBondContact CE-OH 3.3Å; N193-Y272 HydrophobicContact CB-CD2 4.39Å; N193-Y272 HydrophobicContact CB-CE1 4.11Å; N193-Y272 HydrophobicContact CB-CE2 3.73Å; N193-Y272 WeakPolarHBondContact CB-OH 3.47Å; N193-Y272 VanDerWaalsContact CG-CE1 3.45Å; N193-Y272 VanDerWaalsContact CG-CZ 3.43Å; N193-Y272 WeakPolarHBondContact ND2-CE1 3.43Å; N193-Y272 PolarHBondContact OD1-N 3.49Å; M221-Y272 VanDerWaalsContact O-CA 3.29Å; M221-Y272 WeakPolarHBondContact O-CA 3.11Å; M221-Y272 WeakPolarHBondContact O-CB 3.35Å; Y272-L274 HydrophobicContact CD1-CD1 4.43Å; Y272-L274 HydrophobicContact CD2-CB 4.43Å; Y272-L274 HydrophobicContact CD2-CD1 3.46Å; Y272-L274 VanDerWaalsContact CD2-CD1 3.46Å; Y272-L274 HydrophobicContact CD2-CD2 4.33Å; Y272-L274 HydrophobicContact CD2-CG 3.43Å; Y272-L274 VanDerWaalsContact CD2-CG 3.43Å; Y272-L274 HydrophobicContact CE2-CD1 3.6Å; Y272-L274 HydrophobicContact CE2-CG 4.03Å; Y272-L274 HydrophobicContact CG-CD1 3.89Å; Y272-L274 HydrophobicContact CG-CD2 4.32Å; Y272-L274 HydrophobicContact CG-CG 3.88Å; Y272-F306 AromaticContact CD1-CD2 3.6Å; Y272-F306 HydrophobicContact CD1-CD2 3.6Å; Y272-F306 AromaticContact CD1-CE2 4Å; Y272-F306 HydrophobicContact CD1-CE2 4Å; Y272-F306 HydrophobicContact CD1-CG 4.13Å; Y272-F306 AromaticContact CE1-CD2 3.41Å; Y272-F306 HydrophobicContact CE1-CD2 3.41Å; Y272-F306 VanDerWaalsContact CE1-CD2 3.41Å; Y272-F306 AromaticContact CE1-CE2 3.29Å; Y272-F306 HydrophobicContact CE1-CE2 3.29Å; Y272-F306 HydrophobicContact CE1-CG 4.19Å; Y272-F306 AromaticContact CE1-CZ 3.99Å; Y272-F306 HydrophobicContact CE1-CZ 3.99Å; Y272-F306 AromaticContact CZ-CE2 3.94Å
273	A	98.7	Very high	97.9	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	118.3	156.8	0	0	0	0	0	109.4	V191 I192 M211 M221 I328 M369	V191-A273 CarbonylContact O-C 3.51Å; V191-A273 VanDerWaalsContact O-CA 3.24Å; V191-A273 WeakPolarHBondContact O-CA 3.49Å; I192-A273 HydrophobicContact CG1-CB 4.15Å; M211-A273 HydrophobicContact CE-CB 3.94Å; M221-A273 HydrophobicContact CB-CB 4.13Å; M221-A273 HydrophobicContact CG-CB 4.41Å; M221-A273 PolarHBondContact N-O 2.89Å; M221-A273 PolarHBondContact O-N 3.37Å; M221-A273 HydrophobicContact SD-CB 3.85Å; A273-I328 HydrophobicContact CB-CD1 3.81Å; A273-M369 HydrophobicContact CB-CE 4.43Å
274	L	98.8	Very high	97.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	143.6	-170.8	-56.5	172.5	0	0	0	110.9	M178 K190 V191 N220 T222 Y272 F278 V279 F306	M178-L274 HydrophobicContact CE-CD1 3.7Å; K190-L274 CarbonylContact C-O 3.56Å; K190-L274 WeakPolarHBondContact CA-O 3.45Å; K190-L274 WeakPolarHBondContact CB-O 2.97Å; V191-L274 HydrophobicContact CG1-CB 3.93Å; V191-L274 PolarHBondContact N-O 2.86Å; V191-L274 PolarHBondContact O-N 3.43Å; N220-L274 HydrophobicContact CB-CD2 3.85Å; T222-L274 HydrophobicContact CG2-CD2 3.6Å; Y272-L274 HydrophobicContact CD1-CD1 4.43Å; Y272-L274 HydrophobicContact CD2-CB 4.43Å; Y272-L274 HydrophobicContact CD2-CD1 3.46Å; Y272-L274 VanDerWaalsContact CD2-CD1 3.46Å; Y272-L274 HydrophobicContact CD2-CD2 4.33Å; Y272-L274 HydrophobicContact CD2-CG 3.43Å; Y272-L274 VanDerWaalsContact CD2-CG 3.43Å; Y272-L274 HydrophobicContact CE2-CD1 3.6Å; Y272-L274 HydrophobicContact CE2-CG 4.03Å; Y272-L274 HydrophobicContact CG-CD1 3.89Å; Y272-L274 HydrophobicContact CG-CD2 4.32Å; Y272-L274 HydrophobicContact CG-CG 3.88Å; L274-F278 HydrophobicContact CB-CD1 4.05Å; L274-F278 HydrophobicContact CD1-CD1 3.86Å; L274-F278 HydrophobicContact CD1-CE1 3.88Å; L274-F278 HydrophobicContact CD2-CD1 3.75Å; L274-F278 HydrophobicContact CD2-CE1 3.71Å; L274-F278 HydrophobicContact CG-CD1 4.07Å; L274-F278 HydrophobicContact CG-CE1 4.29Å; L274-V279 HydrophobicContact CB-CG2 4.2Å; L274-F306 HydrophobicContact CD1-CD1 3.95Å; L274-F306 HydrophobicContact CD1-CE1 4.25Å; L274-F306 HydrophobicContact CD1-CG 4.39Å
275	T	98.8	Very high	98	Very high	18 Å²	18	31.5 Å²	31.5	11%	0.11	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	152.1	170.3	59.8	0	0	0	0	111	K190 N220 D277 F278 V279	K190-T275 HydrophobicContact CG-CG2 4.48Å; N220-T275 WeakPolarHBondContact OD1-CB 3.13Å; N220-T275 WeakPolarHBondContact OD1-CG2 3.27Å; N220-T275 PolarHBondContact OD1-N 3.47Å; N220-T275 PolarHBondContact OD1-OG1 3.09Å; T275-D277 VanDerWaalsContact C-N 3.26Å; T275-D277 PolarHBondContact O-N 3.26Å; T275-F278 PolarHBondContact O-N 2.99Å; T275-F278 VanDerWaalsContact OG1-CB 3.26Å; T275-F278 WeakPolarHBondContact OG1-CB 3.21Å; T275-F278 PolarHBondContact OG1-N 3.35Å; T275-V279 PolarHBondContact O-N 3.41Å; T275-V279 VanDerWaalsContact O-N 3.1Å
276	R	98.6	Very high	98	Very high	83 Å²	83	36.3 Å²	36.3	31%	0.313	18%	0.177	S	C	.	.	H	α-helix	trans	-57.4	-39.3	175.2	-172.8	160	-174.3	-115.6	5.1	112.9	I182 W188 R189 F278 V279 D280	I182-R276 HydrophobicContact CD1-CG 3.84Å; I182-R276 PolarHBondContact O-NH2 3.22Å; I182-R276 VanDerWaalsContact O-NH2 3.09Å; W188-R276 HydrophobicContact CD2-CB 4.47Å; W188-R276 HydrophobicContact CD2-CG 4.3Å; W188-R276 HydrophobicContact CE3-CB 3.83Å; W188-R276 HydrophobicContact CE3-CG 4.11Å; W188-R276 HydrophobicContact CH2-CB 3.72Å; W188-R276 HydrophobicContact CH2-CG 3.54Å; W188-R276 HydrophobicContact CZ2-CB 4.36Å; W188-R276 HydrophobicContact CZ2-CG 3.72Å; W188-R276 HydrophobicContact CZ3-CB 3.42Å; W188-R276 VanDerWaalsContact CZ3-CB 3.42Å; W188-R276 HydrophobicContact CZ3-CG 3.74Å; W188-R276 WeakPolarHBondContact O-CD 3.39Å; R189-R276 PolarHBondContact O-N 2.9Å; R189-R276 VanDerWaalsContact O-N 3.17Å; R276-F278 PolarHBondContact O-N 3.13Å; R276-V279 WeakPolarHBondContact O-CB 3.28Å; R276-V279 PolarHBondContact O-N 3.2Å; R276-D280 PolarHBondContact O-N 3.19Å
277	D	98.6	Very high	98.1	Very high	110 Å²	110	35.7 Å²	35.7	59%	0.588	18%	0.176	S	C	*	.	H	α-helix	trans	-67.3	-36.1	178.5	-62.7	-15.5	0	0	0	112.1	T275 V279 D280 F281 P316	T275-D277 VanDerWaalsContact C-N 3.26Å; T275-D277 PolarHBondContact O-N 3.26Å; D277-V279 VanDerWaalsContact C-N 3.33Å; D277-D280 PolarHBondContact O-N 3.12Å; D277-F281 WeakPolarHBondContact O-CB 3.44Å; D277-F281 PolarHBondContact O-N 2.85Å; D277-P316 HydrophobicContact CB-CB 3.71Å; D277-P316 HydrophobicContact CB-CG 4.21Å
278	F	98.9	Very high	98.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-65.8	-37.8	173.1	-175.7	-92.8	0	0	0	111.8	N220 L274 T275 R276 D280 F281 V282 F306 L309 N310 A315 P316	N220-F278 WeakPolarHBondContact ND2-CD2 3.48Å; N220-F278 VanDerWaalsContact ND2-CG 3.32Å; N220-F278 WeakPolarHBondContact ND2-CG 3.45Å; N220-F278 WeakPolarHBondContact OD1-CB 3.38Å; L274-F278 HydrophobicContact CB-CD1 4.05Å; L274-F278 HydrophobicContact CD1-CD1 3.86Å; L274-F278 HydrophobicContact CD1-CE1 3.88Å; L274-F278 HydrophobicContact CD2-CD1 3.75Å; L274-F278 HydrophobicContact CD2-CE1 3.71Å; L274-F278 HydrophobicContact CG-CD1 4.07Å; L274-F278 HydrophobicContact CG-CE1 4.29Å; T275-F278 PolarHBondContact O-N 2.99Å; T275-F278 VanDerWaalsContact OG1-CB 3.26Å; T275-F278 WeakPolarHBondContact OG1-CB 3.21Å; T275-F278 PolarHBondContact OG1-N 3.35Å; R276-F278 PolarHBondContact O-N 3.13Å; F278-D280 VanDerWaalsContact C-N 3.35Å; F278-F281 WeakPolarHBondContact O-CB 3.36Å; F278-F281 PolarHBondContact O-N 2.95Å; F278-V282 HydrophobicContact CD1-CG2 3.93Å; F278-V282 HydrophobicContact CE1-CG2 3.62Å; F278-V282 HydrophobicContact CZ-CG2 4.16Å; F278-V282 WeakPolarHBondContact O-CG2 3.37Å; F278-V282 PolarHBondContact O-N 3.29Å; F278-F306 HydrophobicContact CE1-CD1 4.22Å; F278-L309 HydrophobicContact CE2-CB 4.25Å; F278-L309 HydrophobicContact CZ-CB 3.85Å; F278-N310 HydrophobicContact CE2-CB 4.33Å; F278-N310 HydrophobicContact CZ-CB 4.34Å; F278-A315 HydrophobicContact CD2-CB 3.94Å; F278-A315 HydrophobicContact CE2-CB 3.71Å; F278-P316 WeakPolarHBondContact CD2-O 3.37Å
279	V	98.8	Very high	98.3	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-63.4	-42.7	173.5	176.1	0	0	0	0	110.9	M178 I182 W188 V191 L274 T275 R276 D277 F281 V282 L283	M178-V279 HydrophobicContact CB-CG1 3.64Å; M178-V279 HydrophobicContact CG-CG1 3.76Å; M178-V279 HydrophobicContact CG-CG2 4.44Å; M178-V279 HydrophobicContact SD-CG1 3.94Å; M178-V279 HydrophobicContact SD-CG2 4.22Å; I182-V279 HydrophobicContact CD1-CB 4.32Å; I182-V279 HydrophobicContact CD1-CG1 4Å; I182-V279 HydrophobicContact CG1-CG1 3.75Å; W188-V279 HydrophobicContact CH2-CB 4.06Å; W188-V279 HydrophobicContact CH2-CG1 4.3Å; W188-V279 HydrophobicContact CH2-CG2 3.99Å; V191-V279 HydrophobicContact CG1-CG2 3.59Å; L274-V279 HydrophobicContact CB-CG2 4.2Å; T275-V279 PolarHBondContact O-N 3.41Å; T275-V279 VanDerWaalsContact O-N 3.1Å; R276-V279 WeakPolarHBondContact O-CB 3.28Å; R276-V279 PolarHBondContact O-N 3.2Å; D277-V279 VanDerWaalsContact C-N 3.33Å; V279-F281 VanDerWaalsContact C-N 3.33Å; V279-F281 PolarHBondContact O-N 3.46Å; V279-V282 PolarHBondContact O-N 2.72Å; V279-L283 HydrophobicContact CG1-CD1 4.08Å; V279-L283 WeakPolarHBondContact O-CG 3.3Å; V279-L283 PolarHBondContact O-N 3.38Å
280	D	98.6	Very high	98.5	Very high	50 Å²	50	39.3 Å²	39.3	27%	0.267	19%	0.19	S	C	.	.	H	α-helix	trans	-61	-42.8	175.1	-159.3	64.3	0	0	0	111.9	I182 R276 D277 F278 L283 K284	I182-D280 HydrophobicContact CD1-CB 4.42Å; R276-D280 PolarHBondContact O-N 3.19Å; D277-D280 PolarHBondContact O-N 3.12Å; F278-D280 VanDerWaalsContact C-N 3.35Å; D280-L283 PolarHBondContact O-N 2.01Å; D280-K284 WeakPolarHBondContact O-CB 3.35Å; D280-K284 PolarHBondContact O-N 3.13Å; D280-K284 WeakPolarHBondContact OD1-CE 3.48Å; D280-K284 IonicContact OD1-NZ 3.23Å; D280-K284 PolarHBondContact OD1-NZ 3.5Å; D280-K284 WeakPolarHBondContact OD2-CD 3.48Å; D280-K284 IonicContact OD2-NZ 2.64Å; D280-K284 PolarHBondContact OD2-NZ 2.77Å
281	F	98.8	Very high	98.7	Very high	16 Å²	16	38.8 Å²	38.8	7%	0.07	19%	0.186	C	C	.	.	H	α-helix	trans	-58	-49	173	171.1	-89.3	0	0	0	111.9	D277 F278 V279 L283 K284 N285 A288 L309 I312 E314 A315 P316	D277-F281 WeakPolarHBondContact O-CB 3.44Å; D277-F281 PolarHBondContact O-N 2.85Å; F278-F281 WeakPolarHBondContact O-CB 3.36Å; F278-F281 PolarHBondContact O-N 2.95Å; V279-F281 VanDerWaalsContact C-N 3.33Å; V279-F281 PolarHBondContact O-N 3.46Å; F281-L283 PolarHBondContact O-N 2.91Å; F281-K284 PolarHBondContact O-N 3.35Å; F281-N285 HydrophobicContact CD1-CB 4.46Å; F281-N285 HydrophobicContact CD2-CB 3.5Å; F281-N285 HydrophobicContact CE1-CB 4.44Å; F281-N285 HydrophobicContact CE2-CB 3.49Å; F281-N285 VanDerWaalsContact CE2-CB 3.49Å; F281-N285 VanDerWaalsContact CE2-ND2 3.34Å; F281-N285 WeakPolarHBondContact CE2-ND2 3.43Å; F281-N285 HydrophobicContact CG-CB 4Å; F281-N285 HydrophobicContact CZ-CB 3.96Å; F281-N285 WeakPolarHBondContact O-CB 3.3Å; F281-N285 PolarHBondContact O-N 3.29Å; F281-A288 HydrophobicContact CD1-CB 4.36Å; F281-A288 HydrophobicContact CE1-CB 3.98Å; F281-L309 HydrophobicContact CE1-CD2 4.41Å; F281-I312 HydrophobicContact CE1-CD1 4.5Å; F281-I312 HydrophobicContact CZ-CD1 3.99Å; F281-E314 HydrophobicContact CE2-CB 4.2Å; F281-E314 WeakPolarHBondContact CE2-O 3.49Å; F281-E314 HydrophobicContact CZ-CB 4.49Å; F281-A315 HydrophobicContact CD1-CB 4.37Å; F281-A315 HydrophobicContact CE1-CB 4.08Å; F281-A315 HydrophobicContact CZ-CB 4.32Å; F281-P316 VanDerWaalsContact CB-CD 3.5Å; F281-P316 HydrophobicContact CB-CG 3.96Å; F281-P316 HydrophobicContact CG-CG 4.48Å
282	V	98.7	Very high	98.7	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.018	18%	0.184	C	C	.	.	H	α-helix	trans	-57	-37.5	177.8	163.6	0	0	0	0	111.7	L175 M178 F278 V279 Y305 F306 L309	L175-V282 HydrophobicContact CD2-CG1 3.55Å; M178-V282 HydrophobicContact SD-CG1 4.39Å; F278-V282 HydrophobicContact CD1-CG2 3.93Å; F278-V282 HydrophobicContact CE1-CG2 3.62Å; F278-V282 HydrophobicContact CZ-CG2 4.16Å; F278-V282 WeakPolarHBondContact O-CG2 3.37Å; F278-V282 PolarHBondContact O-N 3.29Å; V279-V282 PolarHBondContact O-N 2.72Å; V282-Y305 HydrophobicContact CG1-CE1 3.93Å; V282-F306 HydrophobicContact CG1-CE1 4.3Å; V282-F306 HydrophobicContact CG2-CD1 4.45Å; V282-F306 HydrophobicContact CG2-CE1 4.45Å; V282-L309 HydrophobicContact CG2-CD1 4.06Å
283	L	98.6	Very high	98.7	Very high	44 Å²	44	43 Å²	43	23%	0.23	21%	0.207	C	C	.	.	H	α-helix	trans	-84.5	-18	-176.1	-67.9	174.5	0	0	0	114.6	M178 K179 I182 V279 D280 F281 H289	M178-L283 HydrophobicContact CB-CD1 4.37Å; M178-L283 HydrophobicContact CB-CD2 4.42Å; K179-L283 HydrophobicContact CB-CD1 4.49Å; K179-L283 HydrophobicContact CB-CD2 4.39Å; I182-L283 HydrophobicContact CB-CD1 4.38Å; I182-L283 HydrophobicContact CG1-CD1 3.84Å; V279-L283 HydrophobicContact CG1-CD1 4.08Å; V279-L283 WeakPolarHBondContact O-CG 3.3Å; V279-L283 PolarHBondContact O-N 3.38Å; D280-L283 PolarHBondContact O-N 2.01Å; F281-L283 PolarHBondContact O-N 2.91Å; L283-H289 PolarHBondContact O-CE1 2.61Å; L283-H289 PolarHBondContact O-NE2 2.94Å
284	K	98.5	Very high	98.7	Very high	137 Å²	137	44.2 Å²	44.2	60%	0.596	21%	0.212	S	C	*	.	H	α-helix	trans	-127.4	-25	-171.6	-63.4	178.1	-175.2	161.9	0	115.3	D280 F281 H289	D280-K284 WeakPolarHBondContact O-CB 3.35Å; D280-K284 PolarHBondContact O-N 3.13Å; D280-K284 WeakPolarHBondContact OD1-CE 3.48Å; D280-K284 IonicContact OD1-NZ 3.23Å; D280-K284 PolarHBondContact OD1-NZ 3.5Å; D280-K284 WeakPolarHBondContact OD2-CD 3.48Å; D280-K284 IonicContact OD2-NZ 2.64Å; D280-K284 PolarHBondContact OD2-NZ 2.77Å; F281-K284 PolarHBondContact O-N 3.35Å; K284-H289 PolarHBondContact N-NE2 2.88Å
285	N	98.6	Very high	98.6	Very high	51 Å²	51	44.2 Å²	44.2	27%	0.273	21%	0.212	S	C	.	.			trans	-79.5	136.9	-172.4	-171.4	-79.8	0	0	0	111.7	F281 I287 A288 H289	F281-N285 HydrophobicContact CD1-CB 4.46Å; F281-N285 HydrophobicContact CD2-CB 3.5Å; F281-N285 HydrophobicContact CE1-CB 4.44Å; F281-N285 HydrophobicContact CE2-CB 3.49Å; F281-N285 VanDerWaalsContact CE2-CB 3.49Å; F281-N285 VanDerWaalsContact CE2-ND2 3.34Å; F281-N285 WeakPolarHBondContact CE2-ND2 3.43Å; F281-N285 HydrophobicContact CG-CB 4Å; F281-N285 HydrophobicContact CZ-CB 3.96Å; F281-N285 WeakPolarHBondContact O-CB 3.3Å; F281-N285 PolarHBondContact O-N 3.29Å; N285-I287 VanDerWaalsContact C-N 3.33Å; N285-I287 PolarHBondContact O-N 3.46Å; N285-I287 VanDerWaalsContact OD1-CB 3.29Å; N285-I287 WeakPolarHBondContact OD1-CB 3.46Å; N285-I287 PolarHBondContact OD1-N 2.88Å; N285-A288 HydrophobicContact CB-CB 4.36Å; N285-A288 WeakPolarHBondContact O-CB 3.45Å; N285-A288 PolarHBondContact O-N 2.59Å; N285-A288 VanDerWaalsContact O-N 3.17Å; N285-H289 PolarHBondContact O-CD2 3.36Å; N285-H289 VanDerWaalsContact O-CD2 3.29Å; N285-H289 PolarHBondContact O-N 3.1Å
286	Q	98.6	Very high	98.5	Very high	115 Å²	115	47 Å²	47	54%	0.537	22%	0.223	S	C	.	.	H	α-helix	trans	-61.5	-36.6	-178.6	-166.3	63.4	48.7	0	0	113.3	A288 H289 D290	Q286-A288 VanDerWaalsContact C-N 3.33Å; Q286-A288 PolarHBondContact O-N 3.45Å; Q286-H289 PolarHBondContact O-N 3.39Å; Q286-D290 PolarHBondContact NE2-OD1 3.3Å; Q286-D290 WeakPolarHBondContact O-CB 3.41Å; Q286-D290 PolarHBondContact O-N 3Å
287	I	98.6	Very high	98.4	Very high	30 Å²	30	44.9 Å²	44.9	15%	0.154	22%	0.217	C	C	.	.	H	α-helix	trans	-62.9	-44.4	177.2	-63.8	165	0	0	0	110.1	H261 L263 N285 F291 I312 E314	H261-I287 HydrophobicContact CB-CG2 4.47Å; L263-I287 HydrophobicContact CD1-CG2 4.31Å; L263-I287 HydrophobicContact CD2-CG2 4.35Å; N285-I287 VanDerWaalsContact C-N 3.33Å; N285-I287 PolarHBondContact O-N 3.46Å; N285-I287 VanDerWaalsContact OD1-CB 3.29Å; N285-I287 WeakPolarHBondContact OD1-CB 3.46Å; N285-I287 PolarHBondContact OD1-N 2.88Å; I287-F291 WeakPolarHBondContact O-CB 3.48Å; I287-F291 PolarHBondContact O-N 3.03Å; I287-I312 HydrophobicContact CG2-CD1 3.81Å; I287-E314 HydrophobicContact CD1-CB 4.27Å; I287-E314 HydrophobicContact CD1-CG 3.94Å
288	A	98.7	Very high	98.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63.7	-45.1	177.1	0	0	0	0	0	111.1	F281 N285 Q286 F291 L292 Y305 L309	F281-A288 HydrophobicContact CD1-CB 4.36Å; F281-A288 HydrophobicContact CE1-CB 3.98Å; N285-A288 HydrophobicContact CB-CB 4.36Å; N285-A288 WeakPolarHBondContact O-CB 3.45Å; N285-A288 PolarHBondContact O-N 2.59Å; N285-A288 VanDerWaalsContact O-N 3.17Å; Q286-A288 VanDerWaalsContact C-N 3.33Å; Q286-A288 PolarHBondContact O-N 3.45Å; A288-F291 PolarHBondContact O-N 2.76Å; A288-L292 VanDerWaalsContact O-CB 3.3Å; A288-L292 WeakPolarHBondContact O-CB 3.44Å; A288-L292 PolarHBondContact O-N 3Å; A288-Y305 PolarHBondContact O-OH 3.47Å; A288-L309 HydrophobicContact CB-CD1 3.82Å; A288-L309 HydrophobicContact CB-CD2 4.43Å
289	H	98.6	Very high	98.2	Very high	69 Å²	69	42 Å²	42	32%	0.319	20%	0.2	S	C	.	.	H	α-helix	trans	-62.5	-50.4	178.8	-75.2	-155.5	0	0	0	112.6	L283 K284 N285 Q286 F291 L292 E293	L283-H289 PolarHBondContact O-CE1 2.61Å; L283-H289 PolarHBondContact O-NE2 2.94Å; K284-H289 PolarHBondContact N-NE2 2.88Å; N285-H289 PolarHBondContact O-CD2 3.36Å; N285-H289 VanDerWaalsContact O-CD2 3.29Å; N285-H289 PolarHBondContact O-N 3.1Å; Q286-H289 PolarHBondContact O-N 3.39Å; H289-F291 VanDerWaalsContact C-N 3.27Å; H289-F291 PolarHBondContact O-N 2.96Å; H289-L292 WeakPolarHBondContact O-CB 3.48Å; H289-L292 PolarHBondContact O-N 3.49Å; H289-L292 VanDerWaalsContact O-N 3.13Å; H289-E293 PolarHBondContact O-N 3.17Å
290	D	98.8	Very high	98.1	Very high	52 Å²	52	42.3 Å²	42.3	28%	0.278	20%	0.202	S	C	.	.	H	α-helix	trans	-61.5	-39.9	179.3	-66.9	-19.7	0	0	0	111.1	P260 H261 Q286 W294	P260-D290 HydrophobicContact CB-CB 4.14Å; P260-D290 HydrophobicContact CG-CB 4.05Å; H261-D290 IonicContact CD2-OD2 3.48Å; H261-D290 IonicContact CE1-OD2 3.61Å; H261-D290 PolarHBondContact CE1-OD2 3.35Å; H261-D290 IonicContact NE2-OD2 3.64Å; H261-D290 PolarHBondContact NE2-OD2 2.95Å; Q286-D290 PolarHBondContact NE2-OD1 3.3Å; Q286-D290 WeakPolarHBondContact O-CB 3.41Å; Q286-D290 PolarHBondContact O-N 3Å; D290-W294 WeakPolarHBondContact O-CB 3.35Å; D290-W294 PolarHBondContact O-N 2.78Å
291	F	98.8	Very high	98	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-70	-33.3	177.2	-175.4	-125.8	0	0	0	112.9	P259 P260 L263 I265 I287 A288 H289 W294 S295 H304 Y305 T308 L309	P259-F291 HydrophobicContact CB-CE2 4.4Å; P260-F291 HydrophobicContact CG-CB 4.34Å; L263-F291 HydrophobicContact CD1-CB 3.77Å; L263-F291 HydrophobicContact CD1-CD1 4.34Å; L263-F291 HydrophobicContact CD1-CD2 3.64Å; L263-F291 HydrophobicContact CD1-CE2 4.32Å; L263-F291 HydrophobicContact CD1-CG 3.66Å; I265-F291 HydrophobicContact CD1-CE2 3.55Å; I265-F291 HydrophobicContact CD1-CZ 3.81Å; I287-F291 WeakPolarHBondContact O-CB 3.48Å; I287-F291 PolarHBondContact O-N 3.03Å; A288-F291 PolarHBondContact O-N 2.76Å; H289-F291 VanDerWaalsContact C-N 3.27Å; H289-F291 PolarHBondContact O-N 2.96Å; F291-W294 AromaticContact CD2-CE3 3.93Å; F291-W294 HydrophobicContact CD2-CE3 3.93Å; F291-W294 HydrophobicContact CD2-CZ3 4.41Å; F291-W294 AromaticContact CE2-CE3 3.6Å; F291-W294 HydrophobicContact CE2-CE3 3.6Å; F291-W294 AromaticContact CE2-CZ3 3.64Å; F291-W294 HydrophobicContact CE2-CZ3 3.64Å; F291-W294 HydrophobicContact CZ-CZ3 4.4Å; F291-W294 PolarHBondContact O-N 3.43Å; F291-S295 VanDerWaalsContact O-CB 3.3Å; F291-S295 WeakPolarHBondContact O-CB 3.07Å; F291-S295 PolarHBondContact O-N 3.38Å; F291-S295 PolarHBondContact O-OG 2.9Å; F291-H304 AromaticContact CZ-CD2 3.75Å; F291-Y305 AromaticContact CD1-CD2 3.5Å; F291-Y305 HydrophobicContact CD1-CD2 3.5Å; F291-Y305 AromaticContact CD1-CE2 3.69Å; F291-Y305 HydrophobicContact CD1-CE2 3.69Å; F291-Y305 AromaticContact CE1-CD2 3.73Å; F291-Y305 HydrophobicContact CE1-CD2 3.73Å; F291-Y305 HydrophobicContact CE1-CE2 4.37Å; F291-Y305 HydrophobicContact CG-CD2 4.44Å; F291-Y305 HydrophobicContact CG-CE2 4.44Å; F291-T308 HydrophobicContact CE1-CG2 3.68Å; F291-T308 HydrophobicContact CE2-CG2 4.29Å; F291-T308 HydrophobicContact CZ-CG2 3.56Å; F291-L309 HydrophobicContact CD1-CD2 3.85Å; F291-L309 HydrophobicContact CD1-CG 3.94Å; F291-L309 HydrophobicContact CE1-CG 4.41Å
292	L	98.7	Very high	98	Very high	20 Å²	20	40 Å²	40	11%	0.105	19%	0.19	C	C	.	.	H	α-helix	trans	-64.2	-49.9	173.9	-175.6	66	0	0	0	110.4	F168 L171 L175 A288 H289 W294 S295 K296 Y305	F168-L292 HydrophobicContact CE2-CD1 3.55Å; F168-L292 HydrophobicContact CE2-CG 4.19Å; F168-L292 HydrophobicContact CZ-CD1 4Å; F168-L292 HydrophobicContact CZ-CG 4.27Å; L171-L292 HydrophobicContact CD2-CD1 3.84Å; L171-L292 HydrophobicContact CG-CD1 4.46Å; L175-L292 HydrophobicContact CD1-CD1 3.56Å; L175-L292 HydrophobicContact CD1-CD2 3.75Å; L175-L292 HydrophobicContact CD1-CG 4.31Å; A288-L292 VanDerWaalsContact O-CB 3.3Å; A288-L292 WeakPolarHBondContact O-CB 3.44Å; A288-L292 PolarHBondContact O-N 3Å; H289-L292 WeakPolarHBondContact O-CB 3.48Å; H289-L292 PolarHBondContact O-N 3.49Å; H289-L292 VanDerWaalsContact O-N 3.13Å; L292-W294 VanDerWaalsContact C-N 3.3Å; L292-W294 PolarHBondContact O-N 3.39Å; L292-S295 WeakPolarHBondContact O-CA 3.21Å; L292-S295 WeakPolarHBondContact O-CB 3.4Å; L292-S295 PolarHBondContact O-N 3Å; L292-K296 PolarHBondContact O-N 3.5Å; L292-K296 VanDerWaalsContact O-N 3.14Å; L292-Y305 HydrophobicContact CB-CE2 3.65Å; L292-Y305 HydrophobicContact CD1-CD1 4.49Å; L292-Y305 HydrophobicContact CD1-CD2 4.14Å; L292-Y305 HydrophobicContact CD1-CE1 4.12Å; L292-Y305 HydrophobicContact CD1-CE2 3.75Å; L292-Y305 HydrophobicContact CD1-CG 4.49Å; L292-Y305 HydrophobicContact CG-CE2 4.33Å
293	E	98.4	Very high	97.9	Very high	106 Å²	106	42.2 Å²	42.2	50%	0.495	20%	0.201	S	C	.	.	H	α-helix	trans	-57.2	-44.8	176.1	-69.8	-52.7	132.5	0	0	111.3	H289 S295 K296	H289-E293 PolarHBondContact O-N 3.17Å; E293-S295 PolarHBondContact O-N 2.86Å; E293-K296 PolarHBondContact O-N 2.97Å; E293-K296 WeakPolarHBondContact OE1-CE 3.49Å; E293-K296 IonicContact OE1-NZ 2.72Å; E293-K296 PolarHBondContact OE1-NZ 3.36Å; E293-K296 WeakPolarHBondContact OE2-CE 3.19Å; E293-K296 IonicContact OE2-NZ 3.18Å; E293-K296 PolarHBondContact OE2-NZ 2.87Å
294	W	98.3	Very high	97.9	Very high	24 Å²	24	40.1 Å²	40.1	9%	0.091	19%	0.19	C	C	.	.	H	α-helix	trans	-63.1	-29.2	174.4	179	93.7	0	0	0	113	T235 K256 P257 P258 P259 P260 I265 D290 F291 L292 T298	T235-W294 HydrophobicContact CG2-CH2 4.07Å; T235-W294 HydrophobicContact CG2-CZ3 4.45Å; K256-W294 WeakPolarHBondContact CE-O 3.48Å; K256-W294 PolarHBondContact NZ-O 3.26Å; P257-W294 PolarHBondContact O-NE1 2.97Å; P258-W294 PolarHBondContact O-NE1 2.9Å; P259-W294 HydrophobicContact CB-CD2 4.26Å; P259-W294 HydrophobicContact CB-CE3 4.45Å; P259-W294 HydrophobicContact CB-CH2 4.15Å; P259-W294 HydrophobicContact CB-CZ2 3.99Å; P259-W294 HydrophobicContact CB-CZ3 4.41Å; P260-W294 HydrophobicContact CG-CB 4.24Å; I265-W294 HydrophobicContact CD1-CH2 3.95Å; I265-W294 HydrophobicContact CD1-CZ3 3.96Å; I265-W294 HydrophobicContact CG1-CH2 4.29Å; D290-W294 WeakPolarHBondContact O-CB 3.35Å; D290-W294 PolarHBondContact O-N 2.78Å; F291-W294 AromaticContact CD2-CE3 3.93Å; F291-W294 HydrophobicContact CD2-CE3 3.93Å; F291-W294 HydrophobicContact CD2-CZ3 4.41Å; F291-W294 AromaticContact CE2-CE3 3.6Å; F291-W294 HydrophobicContact CE2-CE3 3.6Å; F291-W294 AromaticContact CE2-CZ3 3.64Å; F291-W294 HydrophobicContact CE2-CZ3 3.64Å; F291-W294 HydrophobicContact CZ-CZ3 4.4Å; F291-W294 PolarHBondContact O-N 3.43Å; L292-W294 VanDerWaalsContact C-N 3.3Å; L292-W294 PolarHBondContact O-N 3.39Å; W294-T298 HydrophobicContact CE3-CG2 4.38Å; W294-T298 HydrophobicContact CH2-CG2 4.41Å; W294-T298 HydrophobicContact CZ3-CG2 4.12Å
295	S	97.9	Very high	97.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-83.3	-16	-177.6	-64.9	0	0	0	0	114.1	F291 L292 E293 D297 T298 H304	F291-S295 VanDerWaalsContact O-CB 3.3Å; F291-S295 WeakPolarHBondContact O-CB 3.07Å; F291-S295 PolarHBondContact O-N 3.38Å; F291-S295 PolarHBondContact O-OG 2.9Å; L292-S295 WeakPolarHBondContact O-CA 3.21Å; L292-S295 WeakPolarHBondContact O-CB 3.4Å; L292-S295 PolarHBondContact O-N 3Å; E293-S295 PolarHBondContact O-N 2.86Å; S295-D297 PolarHBondContact O-N 3.07Å; S295-D297 VanDerWaalsContact O-N 3.12Å; S295-T298 PolarHBondContact O-N 3.2Å; S295-T298 VanDerWaalsContact O-N 3.16Å; S295-T298 PolarHBondContact O-OG1 3.08Å; S295-H304 PolarHBondContact OG-NE2 3.19Å; S295-H304 VanDerWaalsContact OG-NE2 3.13Å
296	K	97	Very high	97.9	Very high	78 Å²	78	31.4 Å²	31.4	34%	0.339	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-30.8	-174	-76	-174.8	177.8	167.8	0	115.2	F168 L292 E293	F168-K296 VanDerWaalsContact CB-O 3.3Å; F168-K296 WeakPolarHBondContact CB-O 3.32Å; F168-K296 HydrophobicContact CD1-CB 4.44Å; F168-K296 HydrophobicContact CD1-CD 4.47Å; F168-K296 HydrophobicContact CD1-CG 3.92Å; F168-K296 HydrophobicContact CD2-CB 4.33Å; F168-K296 HydrophobicContact CD2-CG 3.89Å; F168-K296 HydrophobicContact CE1-CD 4.14Å; F168-K296 HydrophobicContact CE1-CG 3.81Å; F168-K296 HydrophobicContact CE2-CG 3.78Å; F168-K296 HydrophobicContact CG-CB 4.21Å; F168-K296 HydrophobicContact CG-CG 3.96Å; F168-K296 HydrophobicContact CZ-CD 4.32Å; F168-K296 HydrophobicContact CZ-CG 3.74Å; L292-K296 PolarHBondContact O-N 3.5Å; L292-K296 VanDerWaalsContact O-N 3.14Å; E293-K296 PolarHBondContact O-N 2.97Å; E293-K296 WeakPolarHBondContact OE1-CE 3.49Å; E293-K296 IonicContact OE1-NZ 2.72Å; E293-K296 PolarHBondContact OE1-NZ 3.36Å; E293-K296 WeakPolarHBondContact OE2-CE 3.19Å; E293-K296 IonicContact OE2-NZ 3.18Å; E293-K296 PolarHBondContact OE2-NZ 2.87Å
297	D	95.8	Very high	97.9	Very high	37 Å²	37	26 Å²	26	20%	0.198	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.1	33.1	-176.2	65.9	-20.5	0	0	0	111.3	Q238 H239 K256 S295	Q238-D297 CarbonylContact C-O 3.47Å; Q238-D297 WeakPolarHBondContact CA-O 3.43Å; Q238-D297 HydrophobicContact CG-CB 3.94Å; Q238-D297 WeakPolarHBondContact CG-OD2 3.26Å; Q238-D297 PolarHBondContact NE2-OD2 3.42Å; H239-D297 PolarHBondContact N-O 2.98Å; H239-D297 CarbonylContact O-C 3.58Å; H239-D297 VanDerWaalsContact O-CA 3.28Å; H239-D297 WeakPolarHBondContact O-CA 3.46Å; H239-D297 VanDerWaalsContact O-CB 3.3Å; H239-D297 WeakPolarHBondContact O-CB 3.49Å; K256-D297 IonicContact NZ-OD1 2.75Å; K256-D297 PolarHBondContact NZ-OD1 3.19Å; K256-D297 IonicContact NZ-OD2 2.76Å; S295-D297 PolarHBondContact O-N 3.07Å; S295-D297 VanDerWaalsContact O-N 3.12Å
298	T	96.8	Very high	97.9	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.012	12%	0.117	C	C	.	.	S	Bend	trans	-105	168.8	169.5	61.7	0	0	0	0	111.1	T235 K256 W294 S295 H304	T235-T298 HydrophobicContact CG2-CG2 4.46Å; K256-T298 HydrophobicContact CD-CG2 3.8Å; K256-T298 VanDerWaalsContact CE-CG2 3.41Å; W294-T298 HydrophobicContact CE3-CG2 4.38Å; W294-T298 HydrophobicContact CH2-CG2 4.41Å; W294-T298 HydrophobicContact CZ3-CG2 4.12Å; S295-T298 PolarHBondContact O-N 3.2Å; S295-T298 VanDerWaalsContact O-N 3.16Å; S295-T298 PolarHBondContact O-OG1 3.08Å; T298-H304 PolarHBondContact OG1-CE1 3.37Å
299	F	96.2	Very high	97.9	Very high	47 Å²	47	24.6 Å²	24.6	21%	0.206	12%	0.117	C	C	.	.	S	Bend	trans	-90.7	115.8	179	-169	-94.2	0	0	0	112.5	A166 R234 H239 V247	A166-F299 HydrophobicContact CB-CD1 4.05Å; A166-F299 HydrophobicContact CB-CD2 3.78Å; A166-F299 HydrophobicContact CB-CE1 3.67Å; A166-F299 HydrophobicContact CB-CE2 3.38Å; A166-F299 HydrophobicContact CB-CG 4.12Å; A166-F299 HydrophobicContact CB-CZ 3.32Å; R234-F299 HydrophobicContact CB-CB 3.96Å; R234-F299 HydrophobicContact CG-CB 4.1Å; R234-F299 HydrophobicContact CG-CD1 3.95Å; R234-F299 HydrophobicContact CG-CG 4.43Å; R234-F299 PolarHBondContact NE-O 3.4Å; R234-F299 PolarHBondContact NH2-O 3.44Å; R234-F299 VanDerWaalsContact NH2-O 3.1Å; R234-F299 PolarHBondContact O-N 3.45Å; H239-F299 AromaticContact CD2-CD2 3.54Å; H239-F299 AromaticContact NE2-CD2 3.84Å; V247-F299 HydrophobicContact CG2-CE2 3.95Å; V247-F299 HydrophobicContact CG2-CZ 4.36Å
300	S	96.8	Very high	97.9	Very high	7 Å²	7	21.3 Å²	21.3	5%	0.049	10%	0.102	C	C	.	.			trans	49.5	69.7	-173.3	0.5	0	0	0	0	113	A166 R234 D302 E303	A166-S300 VanDerWaalsContact CB-OG 3.22Å; A166-S300 WeakPolarHBondContact CB-OG 3.32Å; A166-S300 WeakPolarHBondContact O-CA 3.18Å; A166-S300 PolarHBondContact O-N 3.09Å; R234-S300 PolarHBondContact NH2-O 2.87Å; R234-S300 VanDerWaalsContact NH2-O 3.1Å; R234-S300 PolarHBondContact NH2-OG 3.07Å; S300-D302 WeakPolarHBondContact CA-OD1 3.29Å; S300-D302 WeakPolarHBondContact CB-OD1 3.41Å; S300-D302 PolarHBondContact O-N 2.72Å; S300-E303 PolarHBondContact O-N 3.4Å
301	P	97.9	Very high	97.9	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-64.6	-19.5	179.2	25.3	-33.5	0	0	0	114.6	F168 L171 E303 H304 Y305	F168-P301 HydrophobicContact CB-CG 4.25Å; F168-P301 HydrophobicContact CD2-CG 4.1Å; L171-P301 HydrophobicContact CB-CG 4.47Å; L171-P301 HydrophobicContact CD2-CB 4.02Å; L171-P301 HydrophobicContact CD2-CG 4.32Å; P301-E303 PolarHBondContact O-N 2.91Å; P301-H304 WeakPolarHBondContact CA-CE1 3.12Å; P301-H304 PolarHBondContact O-N 3.48Å; P301-Y305 WeakPolarHBondContact O-CB 3.34Å; P301-Y305 PolarHBondContact O-N 3.1Å
302	D	97.6	Very high	97.8	Very high	18 Å²	18	20.5 Å²	20.5	10%	0.096	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-56.8	-27.4	171.9	54.2	-43.5	0	0	0	113	R170 L171 A270 S300	R170-D302 HydrophobicContact CG-CB 4.21Å; L171-D302 HydrophobicContact CB-CB 4.33Å; A270-D302 HydrophobicContact CB-CB 4.05Å; A270-D302 WeakPolarHBondContact CB-OD2 3.23Å; S300-D302 WeakPolarHBondContact CA-OD1 3.29Å; S300-D302 WeakPolarHBondContact CB-OD1 3.41Å; S300-D302 PolarHBondContact O-N 2.72Å
303	E	97.8	Very high	97.8	Very high	50 Å²	50	27.8 Å²	27.8	23%	0.234	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-89.3	-4	179.6	-66.5	-174.1	168.4	0	0	114.7	R234 F267 G268 A270 S300 P301	R234-E303 IonicContact CZ-OE2 2.66Å; R234-E303 IonicContact NH1-OE2 3.58Å; R234-E303 PolarHBondContact NH1-OE2 3.05Å; R234-E303 IonicContact NH2-OE2 2.67Å; R234-E303 PolarHBondContact NH2-OE2 2.81Å; F267-E303 CarbonylContact C-O 3.59Å; F267-E303 WeakPolarHBondContact CA-O 3.23Å; F267-E303 HydrophobicContact CD1-CB 4.24Å; F267-E303 HydrophobicContact CE1-CB 4.41Å; G268-E303 PolarHBondContact N-O 2.97Å; A270-E303 HydrophobicContact CB-CG 4.5Å; S300-E303 PolarHBondContact O-N 3.4Å; P301-E303 PolarHBondContact O-N 2.91Å
304	H	98.1	Very high	97.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.4	-22.9	176.4	69.7	-113.4	0	0	0	114.9	I265 Y266 F267 F291 S295 T298 P301 T308	I265-H304 HydrophobicContact CG2-CB 4.16Å; Y266-H304 VanDerWaalsContact O-CA 3.27Å; Y266-H304 WeakPolarHBondContact O-CA 3.14Å; Y266-H304 WeakPolarHBondContact O-CB 3.48Å; F267-H304 HydrophobicContact CD1-CB 4.2Å; F267-H304 HydrophobicContact CD2-CB 4Å; F267-H304 HydrophobicContact CE1-CB 4Å; F267-H304 AromaticContact CE1-ND1 3.93Å; F267-H304 HydrophobicContact CE2-CB 3.8Å; F267-H304 HydrophobicContact CG-CB 4.2Å; F267-H304 HydrophobicContact CZ-CB 3.81Å; F267-H304 AromaticContact CZ-CG 3.99Å; F267-H304 AromaticContact CZ-ND1 3.45Å; F267-H304 WeakPolarHBondContact CZ-ND1 3.27Å; F291-H304 AromaticContact CZ-CD2 3.75Å; S295-H304 PolarHBondContact OG-NE2 3.19Å; S295-H304 VanDerWaalsContact OG-NE2 3.13Å; T298-H304 PolarHBondContact OG1-CE1 3.37Å; P301-H304 WeakPolarHBondContact CA-CE1 3.12Å; P301-H304 PolarHBondContact O-N 3.48Å; H304-T308 WeakPolarHBondContact O-CB 3.48Å; H304-T308 PolarHBondContact O-N 3.08Å; H304-T308 PolarHBondContact O-OG1 3.17Å
305	Y	98.8	Very high	97.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62.3	-61.6	-170.8	178.7	-107.4	0	0	0	111.7	L171 L175 V282 A288 F291 L292 P301 V307 T308 L309	L171-Y305 HydrophobicContact CD1-CD1 3.89Å; L171-Y305 HydrophobicContact CD1-CG 4.46Å; L171-Y305 HydrophobicContact CD2-CD1 3.91Å; L171-Y305 HydrophobicContact CD2-CD2 4.42Å; L171-Y305 HydrophobicContact CD2-CG 3.73Å; L171-Y305 HydrophobicContact CG-CD1 4.47Å; L175-Y305 HydrophobicContact CD2-CE1 4.37Å; V282-Y305 HydrophobicContact CG1-CE1 3.93Å; A288-Y305 PolarHBondContact O-OH 3.47Å; F291-Y305 AromaticContact CD1-CD2 3.5Å; F291-Y305 HydrophobicContact CD1-CD2 3.5Å; F291-Y305 AromaticContact CD1-CE2 3.69Å; F291-Y305 HydrophobicContact CD1-CE2 3.69Å; F291-Y305 AromaticContact CE1-CD2 3.73Å; F291-Y305 HydrophobicContact CE1-CD2 3.73Å; F291-Y305 HydrophobicContact CE1-CE2 4.37Å; F291-Y305 HydrophobicContact CG-CD2 4.44Å; F291-Y305 HydrophobicContact CG-CE2 4.44Å; L292-Y305 HydrophobicContact CB-CE2 3.65Å; L292-Y305 HydrophobicContact CD1-CD1 4.49Å; L292-Y305 HydrophobicContact CD1-CD2 4.14Å; L292-Y305 HydrophobicContact CD1-CE1 4.12Å; L292-Y305 HydrophobicContact CD1-CE2 3.75Å; L292-Y305 HydrophobicContact CD1-CG 4.49Å; L292-Y305 HydrophobicContact CG-CE2 4.33Å; P301-Y305 WeakPolarHBondContact O-CB 3.34Å; P301-Y305 PolarHBondContact O-N 3.1Å; Y305-V307 VanDerWaalsContact C-N 3.34Å; Y305-V307 PolarHBondContact O-N 3.35Å; Y305-T308 PolarHBondContact O-N 3.21Å; Y305-L309 HydrophobicContact CD1-CD1 4.4Å; Y305-L309 HydrophobicContact CD2-CD1 4.34Å; Y305-L309 HydrophobicContact CE1-CD1 3.82Å; Y305-L309 HydrophobicContact CE2-CD1 3.72Å; Y305-L309 HydrophobicContact CE2-CG 4.44Å; Y305-L309 VanDerWaalsContact CZ-CD1 3.43Å; Y305-L309 WeakPolarHBondContact O-CG 3.49Å; Y305-L309 PolarHBondContact O-N 2.72Å; Y305-L309 VanDerWaalsContact O-N 3.09Å
306	F	98.6	Very high	97.8	Very high	5 Å²	5	29.1 Å²	29.1	2%	0.022	14%	0.138	C	C	.	.	H	α-helix	trans	-65.3	-39	-179.9	-59.9	-64.1	0	0	0	112.2	L171 L175 M178 T222 Y272 L274 F278 V282 L309 N310	L171-F306 HydrophobicContact CD1-CD2 4.14Å; L171-F306 HydrophobicContact CD1-CE1 4.41Å; L171-F306 HydrophobicContact CD1-CE2 3.24Å; L171-F306 HydrophobicContact CD1-CZ 3.41Å; L171-F306 VanDerWaalsContact CD1-CZ 3.41Å; L175-F306 HydrophobicContact CD2-CE1 4.41Å; L175-F306 HydrophobicContact CD2-CZ 4.33Å; M178-F306 HydrophobicContact CE-CD1 4.47Å; M178-F306 HydrophobicContact CE-CE1 3.54Å; M178-F306 HydrophobicContact CE-CE2 4.47Å; M178-F306 HydrophobicContact CE-CZ 3.53Å; M178-F306 HydrophobicContact SD-CE1 4.06Å; M178-F306 HydrophobicContact SD-CZ 4.28Å; T222-F306 HydrophobicContact CG2-CB 4.26Å; Y272-F306 AromaticContact CD1-CD2 3.6Å; Y272-F306 HydrophobicContact CD1-CD2 3.6Å; Y272-F306 AromaticContact CD1-CE2 4Å; Y272-F306 HydrophobicContact CD1-CE2 4Å; Y272-F306 HydrophobicContact CD1-CG 4.13Å; Y272-F306 AromaticContact CE1-CD2 3.41Å; Y272-F306 HydrophobicContact CE1-CD2 3.41Å; Y272-F306 VanDerWaalsContact CE1-CD2 3.41Å; Y272-F306 AromaticContact CE1-CE2 3.29Å; Y272-F306 HydrophobicContact CE1-CE2 3.29Å; Y272-F306 HydrophobicContact CE1-CG 4.19Å; Y272-F306 AromaticContact CE1-CZ 3.99Å; Y272-F306 HydrophobicContact CE1-CZ 3.99Å; Y272-F306 AromaticContact CZ-CE2 3.94Å; L274-F306 HydrophobicContact CD1-CD1 3.95Å; L274-F306 HydrophobicContact CD1-CE1 4.25Å; L274-F306 HydrophobicContact CD1-CG 4.39Å; F278-F306 HydrophobicContact CE1-CD1 4.22Å; V282-F306 HydrophobicContact CG1-CE1 4.3Å; V282-F306 HydrophobicContact CG2-CD1 4.45Å; V282-F306 HydrophobicContact CG2-CE1 4.45Å; F306-L309 PolarHBondContact O-N 2.85Å; F306-N310 WeakPolarHBondContact O-CB 3.3Å; F306-N310 PolarHBondContact O-N 3.23Å
307	V	98.2	Very high	97.8	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.006	13%	0.133	C	C	.	.	H	α-helix	trans	-61.3	-48.1	179.1	-169.5	0	0	0	0	110.2	Y305 N310 H311	Y305-V307 VanDerWaalsContact C-N 3.34Å; Y305-V307 PolarHBondContact O-N 3.35Å; V307-N310 PolarHBondContact O-N 3.03Å; V307-H311 PolarHBondContact O-N 2.91Å; V307-H311 PolarHBondContact O-ND1 3.49Å
308	T	98.6	Very high	97.9	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.4	-45.5	179.3	-61.7	0	0	0	0	111.6	L263 K264 I265 Y266 F291 H304 Y305 N310 H311	L263-T308 HydrophobicContact CB-CG2 4.46Å; K264-T308 WeakPolarHBondContact O-CG2 3.3Å; I265-T308 HydrophobicContact CD1-CG2 4.32Å; Y266-T308 PolarHBondContact N-OG1 2.76Å; Y266-T308 PolarHBondContact O-OG1 2.76Å; F291-T308 HydrophobicContact CE1-CG2 3.68Å; F291-T308 HydrophobicContact CE2-CG2 4.29Å; F291-T308 HydrophobicContact CZ-CG2 3.56Å; H304-T308 WeakPolarHBondContact O-CB 3.48Å; H304-T308 PolarHBondContact O-N 3.08Å; H304-T308 PolarHBondContact O-OG1 3.17Å; Y305-T308 PolarHBondContact O-N 3.21Å; T308-N310 VanDerWaalsContact C-N 3.25Å; T308-N310 PolarHBondContact O-N 2.98Å; T308-H311 PolarHBondContact O-N 3.28Å
309	L	98.7	Very high	97.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-65.4	-28.1	177.1	-68.7	-178.6	0	0	0	112.7	F278 F281 V282 A288 F291 Y305 F306 H311 I312 A315	F278-L309 HydrophobicContact CE2-CB 4.25Å; F278-L309 HydrophobicContact CZ-CB 3.85Å; F281-L309 HydrophobicContact CE1-CD2 4.41Å; V282-L309 HydrophobicContact CG2-CD1 4.06Å; A288-L309 HydrophobicContact CB-CD1 3.82Å; A288-L309 HydrophobicContact CB-CD2 4.43Å; F291-L309 HydrophobicContact CD1-CD2 3.85Å; F291-L309 HydrophobicContact CD1-CG 3.94Å; F291-L309 HydrophobicContact CE1-CG 4.41Å; Y305-L309 HydrophobicContact CD1-CD1 4.4Å; Y305-L309 HydrophobicContact CD2-CD1 4.34Å; Y305-L309 HydrophobicContact CE1-CD1 3.82Å; Y305-L309 HydrophobicContact CE2-CD1 3.72Å; Y305-L309 HydrophobicContact CE2-CG 4.44Å; Y305-L309 VanDerWaalsContact CZ-CD1 3.43Å; Y305-L309 WeakPolarHBondContact O-CG 3.49Å; Y305-L309 PolarHBondContact O-N 2.72Å; Y305-L309 VanDerWaalsContact O-N 3.09Å; F306-L309 PolarHBondContact O-N 2.85Å; L309-H311 PolarHBondContact O-N 3.08Å; L309-I312 HydrophobicContact CD2-CD1 4.22Å; L309-I312 WeakPolarHBondContact O-CG1 3.44Å; L309-A315 WeakPolarHBondContact O-CB 3.34Å
310	N	98.3	Very high	97.8	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-8.1	175.7	-159	36.3	0	0	0	113.4	N220 T222 F278 F306 V307 T308 N318 H319	N220-N310 WeakPolarHBondContact CB-OD1 3.13Å; N220-N310 PolarHBondContact ND2-OD1 3.4Å; N220-N310 PolarHBondContact O-ND2 2.76Å; T222-N310 HydrophobicContact CG2-CB 3.99Å; T222-N310 VanDerWaalsContact OG1-CB 3.24Å; T222-N310 WeakPolarHBondContact OG1-CB 3.13Å; T222-N310 PolarHBondContact OG1-ND2 3.04Å; F278-N310 HydrophobicContact CE2-CB 4.33Å; F278-N310 HydrophobicContact CZ-CB 4.34Å; F306-N310 WeakPolarHBondContact O-CB 3.3Å; F306-N310 PolarHBondContact O-N 3.23Å; V307-N310 PolarHBondContact O-N 3.03Å; T308-N310 VanDerWaalsContact C-N 3.25Å; T308-N310 PolarHBondContact O-N 2.98Å; N310-N318 WeakPolarHBondContact O-CB 3.34Å; N310-N318 VanDerWaalsContact OD1-CA 3.28Å; N310-N318 WeakPolarHBondContact OD1-CA 3.47Å; N310-H319 CarbonylContact O-C 3.45Å; N310-H319 PolarHBondContact O-N 3.33Å; N310-H319 PolarHBondContact OD1-N 3.05Å
311	H	98.3	Very high	97.6	Very high	14 Å²	14	35.9 Å²	35.9	7%	0.065	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	15.7	-179.9	-73.2	75.4	0	0	0	114	Y266 V307 T308 L309 I320 G322	Y266-H311 HydrophobicContact CD1-CB 4.45Å; Y266-H311 AromaticContact CD1-CD2 3.32Å; Y266-H311 WeakPolarHBondContact CD1-CD2 3.26Å; Y266-H311 AromaticContact CD1-CE1 3.67Å; Y266-H311 AromaticContact CD1-CG 3.67Å; Y266-H311 AromaticContact CD1-ND1 3.86Å; Y266-H311 AromaticContact CD1-NE2 3.31Å; Y266-H311 VanDerWaalsContact CD1-NE2 3.31Å; Y266-H311 WeakPolarHBondContact CD1-NE2 3.45Å; Y266-H311 HydrophobicContact CD2-CB 3.8Å; Y266-H311 AromaticContact CD2-CG 3.88Å; Y266-H311 HydrophobicContact CE1-CB 4.39Å; Y266-H311 AromaticContact CE1-CD2 3.08Å; Y266-H311 WeakPolarHBondContact CE1-CD2 3.42Å; Y266-H311 AromaticContact CE1-CG 3.76Å; Y266-H311 AromaticContact CE1-NE2 3.41Å; Y266-H311 WeakPolarHBondContact CE1-NE2 3.42Å; Y266-H311 HydrophobicContact CE2-CB 3.73Å; Y266-H311 AromaticContact CE2-CG 3.97Å; Y266-H311 HydrophobicContact CG-CB 4.21Å; Y266-H311 AromaticContact CG-CD2 3.92Å; Y266-H311 AromaticContact CG-CG 3.77Å; Y266-H311 AromaticContact CG-ND1 3.89Å; Y266-H311 AromaticContact CZ-CD2 3.48Å; Y266-H311 VanDerWaalsContact CZ-CD2 3.48Å; Y266-H311 AromaticContact CZ-CG 3.91Å; V307-H311 PolarHBondContact O-N 2.91Å; V307-H311 PolarHBondContact O-ND1 3.49Å; T308-H311 PolarHBondContact O-N 3.28Å; L309-H311 PolarHBondContact O-N 3.08Å; H311-I320 PolarHBondContact CD2-O 3.25Å; H311-G322 PolarHBondContact NE2-O 3.3Å
312	I	98.1	Very high	97.2	Very high	20 Å²	20	36.4 Å²	36.4	10%	0.103	19%	0.189	C	C	.	.	S	Bend	trans	-114.5	153.9	175.5	71	175.5	0	0	0	111.5	L263 F281 I287 L309 E314 A315 N318	L263-I312 HydrophobicContact CD2-CG2 3.53Å; F281-I312 HydrophobicContact CE1-CD1 4.5Å; F281-I312 HydrophobicContact CZ-CD1 3.99Å; I287-I312 HydrophobicContact CG2-CD1 3.81Å; L309-I312 HydrophobicContact CD2-CD1 4.22Å; L309-I312 WeakPolarHBondContact O-CG1 3.44Å; I312-E314 VanDerWaalsContact C-N 3.29Å; I312-E314 WeakPolarHBondContact CB-OE2 3.17Å; I312-E314 HydrophobicContact CD1-CB 4.28Å; I312-E314 HydrophobicContact CG1-CB 4.49Å; I312-E314 PolarHBondContact O-N 2.8Å; I312-A315 HydrophobicContact CG1-CB 3.88Å; I312-A315 PolarHBondContact O-N 2.79Å; I312-N318 VanDerWaalsContact O-CB 3.24Å; I312-N318 WeakPolarHBondContact O-CB 3.39Å
313	K	97.5	Very high	97.1	Very high	174 Å²	174	36.3 Å²	36.3	76%	0.757	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71	-28.2	-174.7	-72	-178.1	176.9	-175.1	0	112.7	A315 I320	K313-A315 VanDerWaalsContact C-N 3.28Å; K313-A315 PolarHBondContact O-N 3.35Å; K313-I320 HydrophobicContact CB-CD1 4.38Å; K313-I320 HydrophobicContact CG-CD1 3.54Å
314	E	97.6	Very high	96.9	Very high	114 Å²	114	41.2 Å²	41.2	53%	0.533	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-20.9	-176.1	-61.6	78.7	-176.2	0	0	112.3	F281 I287 I312	F281-E314 HydrophobicContact CE2-CB 4.2Å; F281-E314 WeakPolarHBondContact CE2-O 3.49Å; F281-E314 HydrophobicContact CZ-CB 4.49Å; I287-E314 HydrophobicContact CD1-CB 4.27Å; I287-E314 HydrophobicContact CD1-CG 3.94Å; I312-E314 VanDerWaalsContact C-N 3.29Å; I312-E314 WeakPolarHBondContact CB-OE2 3.17Å; I312-E314 HydrophobicContact CD1-CB 4.28Å; I312-E314 HydrophobicContact CG1-CB 4.49Å; I312-E314 PolarHBondContact O-N 2.8Å
315	A	98.4	Very high	96.7	Very high	1 Å²	1	46 Å²	46	1%	0.008	23%	0.23	C	C	.	.	S	Bend	trans	-79.1	127.5	-177.4	0	0	0	0	0	111.8	F278 F281 L309 I312 K313 G317 N318	F278-A315 HydrophobicContact CD2-CB 3.94Å; F278-A315 HydrophobicContact CE2-CB 3.71Å; F281-A315 HydrophobicContact CD1-CB 4.37Å; F281-A315 HydrophobicContact CE1-CB 4.08Å; F281-A315 HydrophobicContact CZ-CB 4.32Å; L309-A315 WeakPolarHBondContact O-CB 3.34Å; I312-A315 HydrophobicContact CG1-CB 3.88Å; I312-A315 PolarHBondContact O-N 2.79Å; K313-A315 VanDerWaalsContact C-N 3.28Å; K313-A315 PolarHBondContact O-N 3.35Å; A315-G317 PolarHBondContact O-N 3.37Å; A315-N318 HydrophobicContact CB-CB 4.23Å; A315-N318 VanDerWaalsContact O-CB 3.31Å; A315-N318 WeakPolarHBondContact O-CB 3.4Å; A315-N318 PolarHBondContact O-N 2.89Å; A315-N318 PolarHBondContact O-ND2 2.93Å
316	P	98.5	Very high	96.5	Very high	42 Å²	42	46.1 Å²	46.1	27%	0.273	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	136	174.1	-24.9	35.2	0	0	0	112.1	N220 D277 F278 F281 N318	N220-P316 PolarHBondContact ND2-O 2.76Å; D277-P316 HydrophobicContact CB-CB 3.71Å; D277-P316 HydrophobicContact CB-CG 4.21Å; F278-P316 WeakPolarHBondContact CD2-O 3.37Å; F281-P316 VanDerWaalsContact CB-CD 3.5Å; F281-P316 HydrophobicContact CB-CG 3.96Å; F281-P316 HydrophobicContact CG-CG 4.48Å; P316-N318 PolarHBondContact O-N 2.9Å
317	G	97.8	Very high	96.3	Very high	21 Å²	21	47.6 Å²	47.6	22%	0.216	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	23.5	-178.7	0	0	0	0	0	114.6	D218 K219 N220 A315	D218-G317 WeakPolarHBondContact O-CA 3.48Å; K219-G317 CarbonylContact C-O 3.48Å; K219-G317 WeakPolarHBondContact CA-O 3.4Å; N220-G317 PolarHBondContact N-O 3.11Å; N220-G317 VanDerWaalsContact ND2-C 3.31Å; N220-G317 PolarHBondContact ND2-O 2.76Å; A315-G317 PolarHBondContact O-N 3.37Å
318	N	97.7	Very high	96.3	Very high	49 Å²	49	47.7 Å²	47.7	26%	0.262	25%	0.246	S	C	.	.			trans	-52.8	156.2	179.2	63.9	80.3	0	0	0	113.5	N310 I312 A315 P316 I320	N310-N318 WeakPolarHBondContact O-CB 3.34Å; N310-N318 VanDerWaalsContact OD1-CA 3.28Å; N310-N318 WeakPolarHBondContact OD1-CA 3.47Å; I312-N318 VanDerWaalsContact O-CB 3.24Å; I312-N318 WeakPolarHBondContact O-CB 3.39Å; A315-N318 HydrophobicContact CB-CB 4.23Å; A315-N318 VanDerWaalsContact O-CB 3.31Å; A315-N318 WeakPolarHBondContact O-CB 3.4Å; A315-N318 PolarHBondContact O-N 2.89Å; A315-N318 PolarHBondContact O-ND2 2.93Å; P316-N318 PolarHBondContact O-N 2.9Å; N318-I320 HydrophobicContact CB-CG1 4.37Å; N318-I320 WeakPolarHBondContact OD1-CD1 3.02Å; N318-I320 VanDerWaalsContact OD1-CG1 3.32Å; N318-I320 WeakPolarHBondContact OD1-CG1 3.43Å
319	H	95	Very high	96.2	Very high	36 Å²	36	49 Å²	49	17%	0.167	25%	0.25	C	S	.	.			trans	-132.5	72.6	170.6	-160.9	-135.6	0	0	0	109.2	K219 N310 D321 G322	K219-H319 PolarHBondContact NZ-CD2 3.08Å; K219-H319 PolarHBondContact NZ-NE2 3.21Å; K219-H319 VanDerWaalsContact NZ-NE2 3.2Å; N310-H319 CarbonylContact O-C 3.45Å; N310-H319 PolarHBondContact O-N 3.33Å; N310-H319 PolarHBondContact OD1-N 3.05Å; H319-D321 PolarHBondContact O-N 3.25Å; H319-G322 VanDerWaalsContact CE1-CA 3.42Å; H319-G322 WeakPolarHBondContact CE1-CA 3.33Å; H319-G322 WeakPolarHBondContact ND1-CA 3.21Å; H319-G322 WeakPolarHBondContact O-CA 3.34Å; H319-G322 PolarHBondContact O-N 3.05Å
320	I	95.5	Very high	96.2	Very high	52 Å²	52	49 Å²	49	27%	0.267	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-36.5	-172.3	-65.4	162.2	0	0	0	113.3	H311 K313 N318 G322	H311-I320 PolarHBondContact CD2-O 3.25Å; K313-I320 HydrophobicContact CB-CD1 4.38Å; K313-I320 HydrophobicContact CG-CD1 3.54Å; N318-I320 HydrophobicContact CB-CG1 4.37Å; N318-I320 WeakPolarHBondContact OD1-CD1 3.02Å; N318-I320 VanDerWaalsContact OD1-CG1 3.32Å; N318-I320 WeakPolarHBondContact OD1-CG1 3.43Å; I320-G322 VanDerWaalsContact C-N 3.34Å
321	D	92.8	Very high	96.1	Very high	156 Å²	156	49.7 Å²	49.7	83%	0.834	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	21.3	179.2	-57.3	-51.9	0	0	0	111.9	H319	H319-D321 PolarHBondContact O-N 3.25Å
322	G	89.1	Confident	96.1	Very high	11 Å²	11	49.3 Å²	49.3	11%	0.113	25%	0.252	C	S	.	.			trans	-69.3	147.4	-178.9	0	0	0	0	0	114.3	H311 H319 I320	H311-G322 PolarHBondContact NE2-O 3.3Å; H319-G322 VanDerWaalsContact CE1-CA 3.42Å; H319-G322 WeakPolarHBondContact CE1-CA 3.33Å; H319-G322 WeakPolarHBondContact ND1-CA 3.21Å; H319-G322 WeakPolarHBondContact O-CA 3.34Å; H319-G322 PolarHBondContact O-N 3.05Å; I320-G322 VanDerWaalsContact C-N 3.34Å
323	G	95.1	Very high	96	Very high	16 Å²	16	52.2 Å²	52.2	17%	0.165	26%	0.262	C	S	.	.			trans	-120.3	-133.1	172.7	0	0	0	0	0	111.1	P223 G224 E325	P223-G323 CarbonylContact C-O 3.59Å; P223-G323 WeakPolarHBondContact CA-O 3.48Å; G224-G323 PolarHBondContact N-O 3.29Å; G224-G323 CarbonylContact O-C 3.54Å; G224-G323 VanDerWaalsContact O-CA 3.24Å; G224-G323 WeakPolarHBondContact O-CA 3.34Å; G224-G323 VanDerWaalsContact O-O 3.12Å; G323-E325 VanDerWaalsContact C-N 3.31Å; G323-E325 WeakPolarHBondContact CA-OE2 3.47Å; G323-E325 PolarHBondContact N-OE2 2.96Å; G323-E325 PolarHBondContact O-N 3.33Å
324	W	94.8	Very high	96	Very high	153 Å²	153	49.6 Å²	49.6	58%	0.58	25%	0.248	S	C	*	.	S	Bend	trans	-89.4	17.3	-177.1	-71.5	96.5	0	0	0	114	P223 V225 T269	P223-W324 HydrophobicContact CB-CE3 3.97Å; V225-W324 VanDerWaalsContact CG1-NE1 3.34Å; V225-W324 HydrophobicContact CG2-CZ2 4.42Å; T269-W324 HydrophobicContact CG2-CZ3 3.79Å
325	E	94.5	Very high	95.9	Very high	99 Å²	99	49.7 Å²	49.7	46%	0.463	25%	0.252	S	S	.	.			trans	-74.4	163.5	-178.9	-52	84	177.9	0	0	112.9	W216 P223 G323	W216-E325 HydrophobicContact CH2-CB 3.91Å; W216-E325 HydrophobicContact CZ2-CB 3.81Å; P223-E325 WeakPolarHBondContact CG-O 3.39Å; G323-E325 VanDerWaalsContact C-N 3.31Å; G323-E325 WeakPolarHBondContact CA-OE2 3.47Å; G323-E325 PolarHBondContact N-OE2 2.96Å; G323-E325 PolarHBondContact O-N 3.33Å
326	G	93.9	Very high	95.7	Very high	3 Å²	3	52.8 Å²	52.8	3%	0.031	27%	0.266	C	S	.	.	S	Bend	trans	111.4	-13.1	173.7	0	0	0	0	0	114.4	Y210 I328	Y210-G326 VanDerWaalsContact CE1-O 3.31Å; Y210-G326 WeakPolarHBondContact CE1-O 3.2Å; Y210-G326 WeakPolarHBondContact OH-CA 3.46Å; Y210-G326 PolarHBondContact OH-O 3.46Å; G326-I328 PolarHBondContact O-N 2.89Å
327	A	95	Very high	95.6	Very high	37 Å²	37	55.4 Å²	55.4	31%	0.306	28%	0.275	S	S	.	.			trans	46.9	38.8	171.5	0	0	0	0	0	114.2	R329 S368 M369	A327-R329 PolarHBondContact O-N 3.1Å; A327-S368 CarbonylContact O-C 3.58Å; A327-S368 WeakPolarHBondContact O-CA 3.35Å; A327-S368 VanDerWaalsContact O-CB 3.23Å; A327-S368 WeakPolarHBondContact O-CB 3.41Å; A327-M369 PolarHBondContact O-N 3Å
328	I	97.2	Very high	95.5	Very high	3 Å²	3	57.7 Å²	57.7	2%	0.015	30%	0.298	C	S	.	.			trans	-63.9	-45.7	-174.8	-59.6	-59.7	0	0	0	111.3	M221 P223 A273 G326 M369 F370	M221-I328 HydrophobicContact CB-CD1 3.71Å; M221-I328 HydrophobicContact CB-CG1 4.15Å; M221-I328 HydrophobicContact CG-CD1 4.24Å; M221-I328 HydrophobicContact SD-CD1 3.47Å; M221-I328 WeakPolarHBondContact SD-CD1 3.3Å; P223-I328 HydrophobicContact CG-CG1 4.14Å; A273-I328 HydrophobicContact CB-CD1 3.81Å; G326-I328 PolarHBondContact O-N 2.89Å; I328-M369 HydrophobicContact CD1-CE 3.69Å; I328-M369 HydrophobicContact CD1-SD 3.51Å; I328-M369 VanDerWaalsContact CD1-SD 3.51Å; I328-M369 WeakPolarHBondContact O-CB 3.3Å; I328-F370 PolarHBondContact O-N 3.39Å
329	R	97.4	Very high	95.3	Very high	26 Å²	26	63.5 Å²	63.5	10%	0.098	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	126.8	-174.9	-151.8	75.3	64.2	-170.1	-9.2	110.9	N193 D198 Y271 A327 I331 F370 N372	N193-R329 PolarHBondContact O-NH2 3.38Å; D198-R329 IonicContact OD1-CZ 3.13Å; D198-R329 IonicContact OD1-NE 3.63Å; D198-R329 IonicContact OD1-NH1 2.84Å; D198-R329 IonicContact OD2-CZ 2.7Å; D198-R329 IonicContact OD2-NE 2.76Å; D198-R329 IonicContact OD2-NH1 3.17Å; D198-R329 PolarHBondContact OD2-NH1 3.41Å; D198-R329 IonicContact OD2-NH2 2.73Å; Y271-R329 HydrophobicContact CD2-CB 4.04Å; Y271-R329 HydrophobicContact CD2-CG 4.06Å; Y271-R329 HydrophobicContact CE2-CG 4.16Å; A327-R329 PolarHBondContact O-N 3.1Å; R329-I331 HydrophobicContact CB-CD1 4.04Å; R329-I331 HydrophobicContact CB-CG1 3.89Å; R329-I331 HydrophobicContact CG-CD1 3.86Å; R329-I331 HydrophobicContact CG-CG1 3.58Å; R329-F370 CarbonylContact C-O 3.48Å; R329-F370 WeakPolarHBondContact CA-O 3.03Å; R329-F370 VanDerWaalsContact NH1-CG 3.3Å; R329-N372 HydrophobicContact CG-CB 3.72Å
330	A	97.4	Very high	95.2	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	120.2	159.3	0	0	0	0	0	107.7	Y355 W362 K366 S368 F370 A371 N372	A330-Y355 VanDerWaalsContact C-OH 3.31Å; A330-Y355 PolarHBondContact O-OH 3.23Å; A330-W362 HydrophobicContact CB-CH2 4.29Å; A330-W362 HydrophobicContact CB-CZ3 3.92Å; A330-K366 HydrophobicContact CB-CB 4.36Å; A330-K366 HydrophobicContact CB-CG 4Å; A330-S368 PolarHBondContact N-OG 3.45Å; A330-F370 PolarHBondContact N-O 2.97Å; A330-A371 HydrophobicContact CB-CB 4.14Å; A330-A371 WeakPolarHBondContact O-CA 3.46Å; A330-N372 PolarHBondContact O-N 3.19Å
331	I	96.9	Very high	95.2	Very high	16 Å²	16	62.9 Å²	62.9	8%	0.082	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	132	177.5	-50.4	-177.1	0	0	0	106.8	Y271 R329 W333 I352 Y355 N372	Y271-I331 HydrophobicContact CD2-CD1 4.17Å; Y271-I331 HydrophobicContact CE2-CD1 3.82Å; R329-I331 HydrophobicContact CB-CD1 4.04Å; R329-I331 HydrophobicContact CB-CG1 3.89Å; R329-I331 HydrophobicContact CG-CD1 3.86Å; R329-I331 HydrophobicContact CG-CG1 3.58Å; I331-W333 HydrophobicContact CD1-CZ2 3.96Å; I331-W333 HydrophobicContact CG2-CD2 4.09Å; I331-W333 HydrophobicContact CG2-CG 4.3Å; I331-W333 HydrophobicContact CG2-CZ2 4.05Å; I331-I352 HydrophobicContact CG2-CG1 4.46Å; I331-I352 HydrophobicContact CG2-CG2 3.82Å; I331-Y355 WeakPolarHBondContact CA-OH 3.35Å; I331-N372 HydrophobicContact CG1-CB 4.2Å
332	K	97.6	Very high	95.3	Very high	6 Å²	6	61.9 Å²	61.9	3%	0.026	32%	0.316	C	S	.	.			trans	-97.3	113.5	168.5	-74	-173.7	176.6	-172.7	0	108.9	H341 G343 C353 Y355 D359 W362	K332-H341 HydrophobicContact CD-CB 4.13Å; K332-H341 HydrophobicContact CG-CB 4.17Å; K332-G343 PolarHBondContact NZ-O 3.27Å; K332-C353 HydrophobicContact CB-CB 3.6Å; K332-C353 PolarHBondContact O-N 3.28Å; K332-Y355 HydrophobicContact CB-CE1 4.33Å; K332-Y355 HydrophobicContact CD-CE1 4.18Å; K332-Y355 HydrophobicContact CG-CE1 4.06Å; K332-D359 IonicContact NZ-OD1 2.59Å; K332-D359 PolarHBondContact NZ-OD1 3.13Å; K332-W362 HydrophobicContact CD-CD2 4.45Å; K332-W362 HydrophobicContact CD-CE3 4.31Å; K332-W362 HydrophobicContact CD-CZ3 4.4Å; K332-W362 VanDerWaalsContact CE-CE3 3.49Å; K332-W362 HydrophobicContact CG-CD2 4.37Å; K332-W362 HydrophobicContact CG-CE3 4.07Å; K332-W362 HydrophobicContact CG-CH2 3.59Å; K332-W362 HydrophobicContact CG-CZ2 3.91Å; K332-W362 HydrophobicContact CG-CZ3 3.68Å
333	W	96.5	Very high	95.7	Very high	81 Å²	81	61.5 Å²	61.5	31%	0.307	31%	0.312	S	S	.	.	B	Isolated β-bridge	trans	-97	134.4	178	-58.8	89.2	0	0	0	109.7	I331 D335 Q336 H341 D351 I352	I331-W333 HydrophobicContact CD1-CZ2 3.96Å; I331-W333 HydrophobicContact CG2-CD2 4.09Å; I331-W333 HydrophobicContact CG2-CG 4.3Å; I331-W333 HydrophobicContact CG2-CZ2 4.05Å; W333-D335 WeakPolarHBondContact CB-OD1 3.31Å; W333-D335 PolarHBondContact O-N 3.48Å; W333-D335 VanDerWaalsContact O-N 3.15Å; W333-Q336 HydrophobicContact CB-CB 4.38Å; W333-Q336 HydrophobicContact CB-CG 4.02Å; W333-Q336 WeakPolarHBondContact O-CB 3.33Å; W333-Q336 PolarHBondContact O-N 2.6Å; W333-H341 PolarHBondContact N-NE2 3.04Å; W333-H341 PolarHBondContact O-CE1 2.9Å; W333-H341 PolarHBondContact O-NE2 3.15Å; W333-D351 CarbonylContact C-O 3.58Å; W333-D351 WeakPolarHBondContact CA-O 3.43Å; W333-I352 HydrophobicContact CE3-CD1 4.49Å; W333-I352 HydrophobicContact CE3-CG1 3.85Å; W333-I352 HydrophobicContact CH2-CD1 4.04Å; W333-I352 HydrophobicContact CH2-CG1 4.27Å; W333-I352 HydrophobicContact CZ3-CD1 3.85Å; W333-I352 HydrophobicContact CZ3-CG1 3.69Å
334	R	97.1	Very high	95.8	Very high	120 Å²	120	61.8 Å²	61.8	45%	0.453	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-55.5	-36.4	-176.8	-169.8	-165	-66.3	-115.9	-2.5	112.6	Q336 E337 Y348 D351	R334-Q336 PolarHBondContact O-N 2.7Å; R334-E337 VanDerWaalsContact O-CB 3.32Å; R334-E337 WeakPolarHBondContact O-CB 3.26Å; R334-E337 PolarHBondContact O-N 3.1Å; R334-Y348 HydrophobicContact CB-CD1 3.91Å; R334-Y348 HydrophobicContact CB-CE1 3.75Å; R334-Y348 HydrophobicContact CB-CG 4.4Å; R334-Y348 HydrophobicContact CG-CD1 4.37Å; R334-Y348 HydrophobicContact CG-CD2 4.3Å; R334-Y348 HydrophobicContact CG-CE1 4.22Å; R334-Y348 HydrophobicContact CG-CE2 4.11Å; R334-Y348 HydrophobicContact CG-CG 4.41Å; R334-D351 HydrophobicContact CB-CB 3.95Å; R334-D351 WeakPolarHBondContact CD-OD1 3.43Å; R334-D351 IonicContact CZ-OD1 3.59Å; R334-D351 PolarHBondContact N-O 3.16Å; R334-D351 IonicContact NE-OD1 2.78Å; R334-D351 PolarHBondContact NE-OD1 3.12Å; R334-D351 IonicContact NH2-OD1 3.81Å
335	D	95.2	Very high	95.9	Very high	116 Å²	116	59 Å²	59	62%	0.62	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-74.5	-8	-179.5	68.6	-27.8	0	0	0	114.5	W333	W333-D335 WeakPolarHBondContact CB-OD1 3.31Å; W333-D335 PolarHBondContact O-N 3.48Å; W333-D335 VanDerWaalsContact O-N 3.15Å
336	Q	95.4	Very high	96	Very high	66 Å²	66	55.3 Å²	55.3	31%	0.308	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-103.5	0.3	176.3	-60.1	179.3	-3.5	0	0	113.4	W333 R334 K339 T340	W333-Q336 HydrophobicContact CB-CB 4.38Å; W333-Q336 HydrophobicContact CB-CG 4.02Å; W333-Q336 WeakPolarHBondContact O-CB 3.33Å; W333-Q336 PolarHBondContact O-N 2.6Å; R334-Q336 PolarHBondContact O-N 2.7Å; Q336-K339 PolarHBondContact O-N 3.38Å; Q336-K339 VanDerWaalsContact O-N 3.08Å; Q336-T340 HydrophobicContact CB-CG2 4.35Å; Q336-T340 WeakPolarHBondContact CB-OG1 3.08Å; Q336-T340 PolarHBondContact O-N 3Å; Q336-T340 PolarHBondContact OE1-OG1 2.73Å
337	E	95.8	Very high	96.1	Very high	97 Å²	97	58.2 Å²	58.2	45%	0.453	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-58.7	134.4	174.1	-177.5	162.9	164.6	0	0	111.2	R334 K339 G343 Y348	R334-E337 VanDerWaalsContact O-CB 3.32Å; R334-E337 WeakPolarHBondContact O-CB 3.26Å; R334-E337 PolarHBondContact O-N 3.1Å; E337-K339 PolarHBondContact O-N 3.3Å; E337-G343 VanDerWaalsContact CD-CA 3.44Å; E337-Y348 WeakPolarHBondContact OE2-CE2 3.45Å; E337-Y348 PolarHBondContact OE2-OH 3.05Å
338	G	95.1	Very high	96.3	Very high	69 Å²	69	58.5 Å²	58.5	71%	0.711	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	0.3	-175.7	0	0	0	0	0	114.6	H341	G338-H341 PolarHBondContact N-O 3.03Å
339	K	93.9	Very high	96.2	Very high	171 Å²	171	60.6 Å²	60.6	74%	0.743	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.6	-49.8	177.1	-60.1	174.6	-172.9	160.3	0	112.2	Q336 E337	Q336-K339 PolarHBondContact O-N 3.38Å; Q336-K339 VanDerWaalsContact O-N 3.08Å; E337-K339 PolarHBondContact O-N 3.3Å
340	T	92.4	Very high	95.9	Very high	70 Å²	70	66 Å²	66	43%	0.429	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.4	-12.1	-175.4	73.4	0	0	0	0	113.5	Q336	Q336-T340 HydrophobicContact CB-CG2 4.35Å; Q336-T340 WeakPolarHBondContact CB-OG1 3.08Å; Q336-T340 PolarHBondContact O-N 3Å; Q336-T340 PolarHBondContact OE1-OG1 2.73Å
341	H	95.1	Very high	95.9	Very high	5 Å²	5	70.1 Å²	70.1	2%	0.023	35%	0.354	C	S	.	.	B	Isolated β-bridge	trans	-158.2	159	174.9	60.8	81	0	0	0	111.4	K332 W333 G338 G343 W362	K332-H341 HydrophobicContact CD-CB 4.13Å; K332-H341 HydrophobicContact CG-CB 4.17Å; W333-H341 PolarHBondContact N-NE2 3.04Å; W333-H341 PolarHBondContact O-CE1 2.9Å; W333-H341 PolarHBondContact O-NE2 3.15Å; G338-H341 PolarHBondContact N-O 3.03Å; H341-G343 PolarHBondContact ND1-N 2.8Å; H341-G343 PolarHBondContact O-N 3.35Å; H341-W362 HydrophobicContact CB-CZ2 4.18Å
342	D	95.7	Very high	95.9	Very high	134 Å²	134	70.9 Å²	70.9	72%	0.717	36%	0.358	S	S	*	.	S	Bend	trans	-88.5	45.4	-175.6	-57.1	-24.8	0	0	0	112.7	K345	D342-K345 PolarHBondContact O-NZ 3.1Å
343	G	96.6	Very high	95.9	Very high	3 Å²	3	70.6 Å²	70.6	3%	0.031	36%	0.357	C	S	.	.			trans	75.1	176.6	-176.1	0	0	0	0	0	114.6	K332 E337 H341	K332-G343 PolarHBondContact NZ-O 3.27Å; E337-G343 VanDerWaalsContact CD-CA 3.44Å; H341-G343 PolarHBondContact ND1-N 2.8Å; H341-G343 PolarHBondContact O-N 3.35Å
344	C	97.7	Very high	96	Very high	22 Å²	22	66.7 Å²	66.7	15%	0.149	34%	0.342	C	S	.	.			trans	-86.9	133.3	175.3	-173.9	0	0	0	0	109.7	H347 Y348 C353	C344-H347 PolarHBondContact SG-N 3.34Å; C344-Y348 HydrophobicContact CB-CD1 4.26Å; C344-Y348 HydrophobicContact CB-CD2 4.09Å; C344-Y348 HydrophobicContact CB-CE1 3.76Å; C344-Y348 HydrophobicContact CB-CE2 3.59Å; C344-Y348 HydrophobicContact CB-CG 4.41Å; C344-Y348 VanDerWaalsContact CB-CZ 3.41Å; C344-Y348 PolarHBondContact N-OH 3.44Å; C344-C353 VanDerWaalsContact CA-SG 3.54Å; C344-C353 HydrophobicContact CB-CB 3.68Å; C344-C353 WeakPolarHBondContact CB-SG 3.28Å; C344-C353 VanDerWaalsContact SG-CA 3.5Å; C344-C353 WeakPolarHBondContact SG-CB 3.01Å; C344-C353 CovalentContact SG-SG 2.03Å; C344-C353 PolarHBondContact SG-SG 2.94Å
345	K	97	Very high	96	Very high	94 Å²	94	61 Å²	61	41%	0.409	32%	0.321	S	S	.	.	S	Bend	trans	-98.3	-1.1	176	-49.6	-59.6	-178.5	-168.2	0	113.4	D342 E358 D359	D342-K345 PolarHBondContact O-NZ 3.1Å; K345-E358 HydrophobicContact CB-CB 3.62Å; K345-E358 HydrophobicContact CD-CB 4.5Å; K345-E358 HydrophobicContact CG-CB 3.7Å; K345-D359 WeakPolarHBondContact CA-OD2 3.5Å; K345-D359 WeakPolarHBondContact CB-OD2 3.02Å; K345-D359 WeakPolarHBondContact CG-OD1 3.4Å; K345-D359 PolarHBondContact N-OD1 3.19Å; K345-D359 VanDerWaalsContact N-OD1 3.1Å; K345-D359 PolarHBondContact N-OD2 3.28Å
346	G	96.4	Very high	96.1	Very high	23 Å²	23	55.6 Å²	55.6	24%	0.237	29%	0.292	C	S	.	.	S	Bend	trans	-101.5	-112.9	161.3	0	0	0	0	0	111.1	V354 D359	G346-V354 VanDerWaalsContact CA-O 3.29Å; G346-V354 WeakPolarHBondContact CA-O 3.47Å; G346-D359 PolarHBondContact N-OD2 3.18Å
347	H	97.2	Very high	96	Very high	63 Å²	63	55.2 Å²	55.2	29%	0.292	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	158.6	176.2	72.8	-85.4	0	0	0	112.2	C344 V349 V354 E375 F379	C344-H347 PolarHBondContact SG-N 3.34Å; H347-V349 VanDerWaalsContact CD2-CG2 3.46Å; H347-V349 WeakPolarHBondContact CD2-CG2 3.16Å; H347-V349 WeakPolarHBondContact NE2-CG2 3.19Å; H347-V354 PolarHBondContact N-O 2.9Å; H347-V354 VanDerWaalsContact N-O 3.15Å; H347-V354 WeakPolarHBondContact O-CB 3.24Å; H347-V354 PolarHBondContact O-N 2.72Å; H347-E375 IonicContact CE1-OE2 3.45Å; H347-E375 PolarHBondContact CE1-OE2 3.28Å; H347-E375 IonicContact NE2-OE2 3.84Å; H347-F379 AromaticContact CE1-CE2 3.99Å; H347-F379 AromaticContact ND1-CE2 3.24Å; H347-F379 WeakPolarHBondContact ND1-CE2 3.4Å; H347-F379 AromaticContact ND1-CZ 3.65Å
348	Y	97.6	Very high	95.9	Very high	44 Å²	44	57.3 Å²	57.3	17%	0.173	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	131.3	178.5	-71.5	-74.7	0	0	0	111.9	R334 E337 C344 C353	R334-Y348 HydrophobicContact CB-CD1 3.91Å; R334-Y348 HydrophobicContact CB-CE1 3.75Å; R334-Y348 HydrophobicContact CB-CG 4.4Å; R334-Y348 HydrophobicContact CG-CD1 4.37Å; R334-Y348 HydrophobicContact CG-CD2 4.3Å; R334-Y348 HydrophobicContact CG-CE1 4.22Å; R334-Y348 HydrophobicContact CG-CE2 4.11Å; R334-Y348 HydrophobicContact CG-CG 4.41Å; E337-Y348 WeakPolarHBondContact OE2-CE2 3.45Å; E337-Y348 PolarHBondContact OE2-OH 3.05Å; C344-Y348 HydrophobicContact CB-CD1 4.26Å; C344-Y348 HydrophobicContact CB-CD2 4.09Å; C344-Y348 HydrophobicContact CB-CE1 3.76Å; C344-Y348 HydrophobicContact CB-CE2 3.59Å; C344-Y348 HydrophobicContact CB-CG 4.41Å; C344-Y348 VanDerWaalsContact CB-CZ 3.41Å; C344-Y348 PolarHBondContact N-OH 3.44Å; Y348-C353 HydrophobicContact CD1-CB 4.23Å; Y348-C353 HydrophobicContact CE1-CB 4.05Å
349	V	95.4	Very high	96	Very high	47 Å²	47	54 Å²	54	29%	0.285	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	113.6	169.2	175.7	0	0	0	0	108.5	H347 D351 I352 V354 K373	H347-V349 VanDerWaalsContact CD2-CG2 3.46Å; H347-V349 WeakPolarHBondContact CD2-CG2 3.16Å; H347-V349 WeakPolarHBondContact NE2-CG2 3.19Å; V349-D351 VanDerWaalsContact C-N 3.34Å; V349-I352 PolarHBondContact N-O 2.64Å; V349-I352 PolarHBondContact O-N 2.91Å; V349-V354 HydrophobicContact CB-CG2 4.25Å; V349-V354 HydrophobicContact CG2-CG2 3.82Å; V349-K373 PolarHBondContact O-NZ 3.3Å
350	R	92.6	Very high	96.1	Very high	140 Å²	140	45.9 Å²	45.9	53%	0.528	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	50.9	-174.6	-52.5	178.3	-161.3	170.5	7.3	111.6	H246 I352	H246-R350 PolarHBondContact NE2-NH2 3.31Å; R350-I352 PolarHBondContact O-N 3.14Å
351	D	95.9	Very high	96.2	Very high	86 Å²	86	45.1 Å²	45.1	46%	0.46	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	8.8	178.3	-54.5	-38.5	0	0	0	116.8	W333 R334 V349	W333-D351 CarbonylContact C-O 3.58Å; W333-D351 WeakPolarHBondContact CA-O 3.43Å; R334-D351 HydrophobicContact CB-CB 3.95Å; R334-D351 WeakPolarHBondContact CD-OD1 3.43Å; R334-D351 IonicContact CZ-OD1 3.59Å; R334-D351 PolarHBondContact N-O 3.16Å; R334-D351 IonicContact NE-OD1 2.78Å; R334-D351 PolarHBondContact NE-OD1 3.12Å; R334-D351 IonicContact NH2-OD1 3.81Å; V349-D351 VanDerWaalsContact C-N 3.34Å
352	I	96.9	Very high	96.3	Very high	31 Å²	31	47 Å²	47	16%	0.159	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	129.9	171.3	-61.7	171.5	0	0	0	108.9	I331 W333 V349 R350 V354 K373	I331-I352 HydrophobicContact CG2-CG1 4.46Å; I331-I352 HydrophobicContact CG2-CG2 3.82Å; W333-I352 HydrophobicContact CE3-CD1 4.49Å; W333-I352 HydrophobicContact CE3-CG1 3.85Å; W333-I352 HydrophobicContact CH2-CD1 4.04Å; W333-I352 HydrophobicContact CH2-CG1 4.27Å; W333-I352 HydrophobicContact CZ3-CD1 3.85Å; W333-I352 HydrophobicContact CZ3-CG1 3.69Å; V349-I352 PolarHBondContact N-O 2.64Å; V349-I352 PolarHBondContact O-N 2.91Å; R350-I352 PolarHBondContact O-N 3.14Å; I352-V354 PolarHBondContact O-N 3.4Å; I352-K373 HydrophobicContact CG2-CD 4.28Å; I352-K373 HydrophobicContact CG2-CG 4.27Å
353	C	98.2	Very high	96.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	126.6	176.3	-177.8	0	0	0	0	111.5	K332 C344 Y348 Y355 K373	K332-C353 HydrophobicContact CB-CB 3.6Å; K332-C353 PolarHBondContact O-N 3.28Å; C344-C353 VanDerWaalsContact CA-SG 3.54Å; C344-C353 HydrophobicContact CB-CB 3.68Å; C344-C353 WeakPolarHBondContact CB-SG 3.28Å; C344-C353 VanDerWaalsContact SG-CA 3.5Å; C344-C353 WeakPolarHBondContact SG-CB 3.01Å; C344-C353 CovalentContact SG-SG 2.03Å; C344-C353 PolarHBondContact SG-SG 2.94Å; Y348-C353 HydrophobicContact CD1-CB 4.23Å; Y348-C353 HydrophobicContact CE1-CB 4.05Å; C353-Y355 HydrophobicContact CB-CD1 4.45Å; C353-Y355 HydrophobicContact CB-CE1 4.37Å; C353-K373 WeakPolarHBondContact O-CG 3.33Å; C353-K373 PolarHBondContact O-N 2.67Å
354	V	98.1	Very high	96.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	116.2	156.6	-177.4	0	0	0	0	106.5	G346 H347 V349 I352 K373 E375 F379	G346-V354 VanDerWaalsContact CA-O 3.29Å; G346-V354 WeakPolarHBondContact CA-O 3.47Å; H347-V354 PolarHBondContact N-O 2.9Å; H347-V354 VanDerWaalsContact N-O 3.15Å; H347-V354 WeakPolarHBondContact O-CB 3.24Å; H347-V354 PolarHBondContact O-N 2.72Å; V349-V354 HydrophobicContact CB-CG2 4.25Å; V349-V354 HydrophobicContact CG2-CG2 3.82Å; I352-V354 PolarHBondContact O-N 3.4Å; V354-K373 WeakPolarHBondContact CA-O 3.33Å; V354-K373 HydrophobicContact CB-CG 4.48Å; V354-K373 HydrophobicContact CG2-CD 4.07Å; V354-K373 VanDerWaalsContact CG2-CE 3.44Å; V354-K373 HydrophobicContact CG2-CG 3.97Å; V354-E375 HydrophobicContact CG1-CB 3.73Å; V354-E375 HydrophobicContact CG1-CG 3.69Å; V354-E375 HydrophobicContact CG2-CG 4.4Å; V354-F379 HydrophobicContact CB-CE2 4.49Å; V354-F379 HydrophobicContact CG1-CD2 3.97Å; V354-F379 HydrophobicContact CG1-CE2 4.12Å
355	Y	98	Very high	96.2	Very high	1 Å²	1	48.5 Å²	48.5	0%	0.004	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-68.4	134.5	-170.1	-62.9	-55	0	0	0	113.3	A330 I331 K332 C353 D359 W362 I363 A371 N372 K373 F374 F379	A330-Y355 VanDerWaalsContact C-OH 3.31Å; A330-Y355 PolarHBondContact O-OH 3.23Å; I331-Y355 WeakPolarHBondContact CA-OH 3.35Å; K332-Y355 HydrophobicContact CB-CE1 4.33Å; K332-Y355 HydrophobicContact CD-CE1 4.18Å; K332-Y355 HydrophobicContact CG-CE1 4.06Å; C353-Y355 HydrophobicContact CB-CD1 4.45Å; C353-Y355 HydrophobicContact CB-CE1 4.37Å; Y355-D359 WeakPolarHBondContact CA-OD2 3.32Å; Y355-D359 HydrophobicContact CD1-CB 3.68Å; Y355-D359 HydrophobicContact CG-CB 4.24Å; Y355-W362 HydrophobicContact CE1-CZ3 4.33Å; Y355-I363 HydrophobicContact CD1-CD1 3.88Å; Y355-I363 HydrophobicContact CD1-CG1 4.42Å; Y355-I363 HydrophobicContact CD2-CD1 3.5Å; Y355-I363 HydrophobicContact CD2-CG1 4.48Å; Y355-I363 HydrophobicContact CE1-CD1 4.11Å; Y355-I363 HydrophobicContact CE1-CG1 4.24Å; Y355-I363 HydrophobicContact CE2-CD1 3.73Å; Y355-I363 HydrophobicContact CE2-CG1 4.27Å; Y355-I363 HydrophobicContact CG-CD1 3.57Å; Y355-A371 HydrophobicContact CE2-CB 3.9Å; Y355-N372 WeakPolarHBondContact CE2-O 3.23Å; Y355-N372 VanDerWaalsContact CZ-O 3.22Å; Y355-N372 PolarHBondContact OH-O 3.06Å; Y355-N372 VanDerWaalsContact OH-O 3.05Å; Y355-K373 WeakPolarHBondContact CD2-O 3.43Å; Y355-K373 PolarHBondContact N-O 3.05Å; Y355-F374 HydrophobicContact CD2-CD1 4.39Å; Y355-F374 HydrophobicContact CD2-CD2 4.45Å; Y355-F374 AromaticContact CD2-CE1 3.94Å; Y355-F374 HydrophobicContact CD2-CE1 3.94Å; Y355-F374 HydrophobicContact CD2-CE2 4Å; Y355-F374 AromaticContact CD2-CZ 3.71Å; Y355-F374 HydrophobicContact CD2-CZ 3.71Å; Y355-F374 HydrophobicContact CE2-CE2 4.39Å; Y355-F374 HydrophobicContact CE2-CZ 4.32Å; Y355-F374 HydrophobicContact CG-CE1 4.49Å; Y355-F379 WeakPolarHBondContact O-CB 3.31Å; Y355-F379 VanDerWaalsContact O-CD2 3.23Å; Y355-F379 WeakPolarHBondContact O-CD2 3.18Å
356	G	96.2	Very high	96.1	Very high	1 Å²	1	49 Å²	49	1%	0.01	24%	0.238	C	C	.	.			trans	-93.7	175.7	164	0	0	0	0	0	111.7	E358 D359	G356-E358 VanDerWaalsContact C-N 3.27Å; G356-E358 PolarHBondContact O-N 2.98Å; G356-D359 PolarHBondContact N-OD2 3.23Å; G356-D359 WeakPolarHBondContact O-CB 3.46Å; G356-D359 PolarHBondContact O-N 3.2Å
357	I	93.6	Very high	96	Very high	58 Å²	58	55.6 Å²	55.6	30%	0.297	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-60.5	-35.2	-179.2	-176.3	59.2	0	0	0	113	C52 D359 I360 E381 C385	C52-I357 HydrophobicContact CB-CD1 4.49Å; I357-D359 PolarHBondContact O-N 3.41Å; I357-I360 HydrophobicContact CD1-CG1 4.13Å; I357-I360 WeakPolarHBondContact O-CG1 3.41Å; I357-I360 PolarHBondContact O-N 2.79Å; I357-E381 HydrophobicContact CB-CB 4.44Å; I357-E381 HydrophobicContact CD1-CB 4.46Å; I357-C385 HydrophobicContact CD1-CB 3.58Å
358	E	95.1	Very high	96	Very high	141 Å²	141	52.8 Å²	52.8	66%	0.659	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-73.5	-9.4	178.6	-66.6	176.2	-124.2	0	0	113.1	K345 G356	K345-E358 HydrophobicContact CB-CB 3.62Å; K345-E358 HydrophobicContact CD-CB 4.5Å; K345-E358 HydrophobicContact CG-CB 3.7Å; G356-E358 VanDerWaalsContact C-N 3.27Å; G356-E358 PolarHBondContact O-N 2.98Å
359	D	96.9	Very high	96.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-81.2	-17.5	172.6	-68.5	-60.5	0	0	0	112.6	K332 K345 G346 Y355 G356 I357 W362 I363	K332-D359 IonicContact NZ-OD1 2.59Å; K332-D359 PolarHBondContact NZ-OD1 3.13Å; K345-D359 WeakPolarHBondContact CA-OD2 3.5Å; K345-D359 WeakPolarHBondContact CB-OD2 3.02Å; K345-D359 WeakPolarHBondContact CG-OD1 3.4Å; K345-D359 PolarHBondContact N-OD1 3.19Å; K345-D359 VanDerWaalsContact N-OD1 3.1Å; K345-D359 PolarHBondContact N-OD2 3.28Å; G346-D359 PolarHBondContact N-OD2 3.18Å; Y355-D359 WeakPolarHBondContact CA-OD2 3.32Å; Y355-D359 HydrophobicContact CD1-CB 3.68Å; Y355-D359 HydrophobicContact CG-CB 4.24Å; G356-D359 PolarHBondContact N-OD2 3.23Å; G356-D359 WeakPolarHBondContact O-CB 3.46Å; G356-D359 PolarHBondContact O-N 3.2Å; I357-D359 PolarHBondContact O-N 3.41Å; D359-W362 WeakPolarHBondContact O-CB 3.48Å; D359-W362 PolarHBondContact O-N 2.93Å; D359-I363 HydrophobicContact CB-CD1 4.44Å; D359-I363 WeakPolarHBondContact O-CG1 3.41Å; D359-I363 PolarHBondContact O-N 3.21Å; D359-I363 VanDerWaalsContact O-N 3.1Å
360	I	95.7	Very high	96.2	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-60.6	-42.8	-172.3	-57.1	-52.5	0	0	0	114	I357 W362 I363 I364 F374 A382 C385 L386	I357-I360 HydrophobicContact CD1-CG1 4.13Å; I357-I360 WeakPolarHBondContact O-CG1 3.41Å; I357-I360 PolarHBondContact O-N 2.79Å; I360-W362 VanDerWaalsContact C-N 3.3Å; I360-W362 PolarHBondContact O-N 2.66Å; I360-I363 HydrophobicContact CD1-CD1 3.9Å; I360-I363 WeakPolarHBondContact O-CB 3.06Å; I360-I363 PolarHBondContact O-N 2.82Å; I360-I363 VanDerWaalsContact O-N 3.12Å; I360-I364 HydrophobicContact CG2-CD1 3.65Å; I360-I364 HydrophobicContact CG2-CG1 4.16Å; I360-I364 WeakPolarHBondContact O-CG1 3.39Å; I360-I364 PolarHBondContact O-N 2.87Å; I360-F374 HydrophobicContact CD1-CE1 4.16Å; I360-A382 HydrophobicContact CD1-CB 4.09Å; I360-A382 WeakPolarHBondContact CD1-O 3.1Å; I360-C385 WeakPolarHBondContact CG2-SG 3.45Å; I360-L386 HydrophobicContact CD1-CB 4.19Å; I360-L386 HydrophobicContact CG2-CD1 4.41Å
361	P	95.3	Very high	96.5	Very high	54 Å²	54	41.8 Å²	41.8	35%	0.351	20%	0.2	S	C	.	.	H	α-helix	trans	-55.6	-45.3	175.5	-26.8	36.2	0	0	0	112.5	I363 I364 E365	P361-I363 VanDerWaalsContact C-N 3.32Å; P361-I363 PolarHBondContact O-N 3.1Å; P361-I364 PolarHBondContact O-N 3.08Å; P361-E365 WeakPolarHBondContact O-CB 3.39Å; P361-E365 VanDerWaalsContact O-CG 3.28Å; P361-E365 WeakPolarHBondContact O-CG 3.28Å; P361-E365 PolarHBondContact O-N 2.93Å
362	W	96.4	Very high	96.6	Very high	43 Å²	43	38 Å²	38	16%	0.163	18%	0.18	C	C	.	.	H	α-helix	trans	-61.5	-41	177.2	179.7	91.4	0	0	0	111.9	A330 K332 H341 Y355 D359 I360 E365 K366	A330-W362 HydrophobicContact CB-CH2 4.29Å; A330-W362 HydrophobicContact CB-CZ3 3.92Å; K332-W362 HydrophobicContact CD-CD2 4.45Å; K332-W362 HydrophobicContact CD-CE3 4.31Å; K332-W362 HydrophobicContact CD-CZ3 4.4Å; K332-W362 VanDerWaalsContact CE-CE3 3.49Å; K332-W362 HydrophobicContact CG-CD2 4.37Å; K332-W362 HydrophobicContact CG-CE3 4.07Å; K332-W362 HydrophobicContact CG-CH2 3.59Å; K332-W362 HydrophobicContact CG-CZ2 3.91Å; K332-W362 HydrophobicContact CG-CZ3 3.68Å; H341-W362 HydrophobicContact CB-CZ2 4.18Å; Y355-W362 HydrophobicContact CE1-CZ3 4.33Å; D359-W362 WeakPolarHBondContact O-CB 3.48Å; D359-W362 PolarHBondContact O-N 2.93Å; I360-W362 VanDerWaalsContact C-N 3.3Å; I360-W362 PolarHBondContact O-N 2.66Å; W362-E365 PolarHBondContact O-N 2.97Å; W362-K366 HydrophobicContact CH2-CD 4.43Å; W362-K366 HydrophobicContact CH2-CG 4.39Å; W362-K366 HydrophobicContact CZ2-CD 4.11Å; W362-K366 VanDerWaalsContact O-CB 3.3Å; W362-K366 WeakPolarHBondContact O-CB 3.46Å; W362-K366 PolarHBondContact O-N 3.42Å
363	I	96.8	Very high	96.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-61.3	-45.7	178	-68	172.6	0	0	0	111	T201 Y355 D359 I360 P361 A371 F374 L386	T201-I363 HydrophobicContact CG2-CG2 3.3Å; Y355-I363 HydrophobicContact CD1-CD1 3.88Å; Y355-I363 HydrophobicContact CD1-CG1 4.42Å; Y355-I363 HydrophobicContact CD2-CD1 3.5Å; Y355-I363 HydrophobicContact CD2-CG1 4.48Å; Y355-I363 HydrophobicContact CE1-CD1 4.11Å; Y355-I363 HydrophobicContact CE1-CG1 4.24Å; Y355-I363 HydrophobicContact CE2-CD1 3.73Å; Y355-I363 HydrophobicContact CE2-CG1 4.27Å; Y355-I363 HydrophobicContact CG-CD1 3.57Å; D359-I363 HydrophobicContact CB-CD1 4.44Å; D359-I363 WeakPolarHBondContact O-CG1 3.41Å; D359-I363 PolarHBondContact O-N 3.21Å; D359-I363 VanDerWaalsContact O-N 3.1Å; I360-I363 HydrophobicContact CD1-CD1 3.9Å; I360-I363 WeakPolarHBondContact O-CB 3.06Å; I360-I363 PolarHBondContact O-N 2.82Å; I360-I363 VanDerWaalsContact O-N 3.12Å; P361-I363 VanDerWaalsContact C-N 3.32Å; P361-I363 PolarHBondContact O-N 3.1Å; I363-A371 HydrophobicContact CD1-CB 4.34Å; I363-A371 HydrophobicContact CG1-CB 4.4Å; I363-A371 HydrophobicContact CG2-CB 3.58Å; I363-F374 HydrophobicContact CD1-CE1 4.25Å; I363-F374 HydrophobicContact CD1-CZ 3.91Å; I363-L386 HydrophobicContact CG2-CD1 4.49Å; I363-L386 HydrophobicContact CG2-CD2 4.38Å
364	I	95.2	Very high	96.5	Very high	47 Å²	47	37.5 Å²	37.5	24%	0.241	18%	0.177	C	C	.	.	H	α-helix	trans	-66.1	-45.6	179.4	-68.9	168.4	0	0	0	110.8	I360 P361 K366 K367 L386 W389	I360-I364 HydrophobicContact CG2-CD1 3.65Å; I360-I364 HydrophobicContact CG2-CG1 4.16Å; I360-I364 WeakPolarHBondContact O-CG1 3.39Å; I360-I364 PolarHBondContact O-N 2.87Å; P361-I364 PolarHBondContact O-N 3.08Å; I364-K366 VanDerWaalsContact C-N 3.3Å; I364-K366 PolarHBondContact O-N 3.3Å; I364-K367 PolarHBondContact O-N 3.17Å; I364-L386 HydrophobicContact CG1-CD1 4.36Å; I364-W389 HydrophobicContact CB-CH2 4.49Å; I364-W389 HydrophobicContact CB-CZ2 4.28Å; I364-W389 HydrophobicContact CD1-CD2 3.76Å; I364-W389 HydrophobicContact CD1-CE3 4.31Å; I364-W389 HydrophobicContact CD1-CG 3.93Å; I364-W389 HydrophobicContact CD1-CZ2 4.26Å; I364-W389 HydrophobicContact CG1-CD2 4.03Å; I364-W389 HydrophobicContact CG1-CE3 4.16Å; I364-W389 HydrophobicContact CG1-CH2 4.05Å; I364-W389 HydrophobicContact CG1-CZ2 3.94Å; I364-W389 HydrophobicContact CG1-CZ3 4.17Å; I364-W389 HydrophobicContact CG2-CH2 4.03Å; I364-W389 HydrophobicContact CG2-CZ2 3.47Å; I364-W389 VanDerWaalsContact CG2-CZ2 3.47Å
365	E	95.2	Very high	96.3	Very high	145 Å²	145	39 Å²	39	68%	0.678	18%	0.184	S	C	*	.	H	α-helix	trans	-66.9	-29.8	-179.3	-73.9	172.1	-169.1	0	0	113.1	P361 W362 K367	P361-E365 WeakPolarHBondContact O-CB 3.39Å; P361-E365 VanDerWaalsContact O-CG 3.28Å; P361-E365 WeakPolarHBondContact O-CG 3.28Å; P361-E365 PolarHBondContact O-N 2.93Å; W362-E365 PolarHBondContact O-N 2.97Å; E365-K367 PolarHBondContact O-N 2.97Å
366	K	94.9	Very high	95.8	Very high	104 Å²	104	39.8 Å²	39.8	45%	0.452	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-24.9	-179.2	-168	62.9	173.5	178.6	0	112.9	A330 W362 I364 S368	A330-K366 HydrophobicContact CB-CB 4.36Å; A330-K366 HydrophobicContact CB-CG 4Å; W362-K366 HydrophobicContact CH2-CD 4.43Å; W362-K366 HydrophobicContact CH2-CG 4.39Å; W362-K366 HydrophobicContact CZ2-CD 4.11Å; W362-K366 VanDerWaalsContact O-CB 3.3Å; W362-K366 WeakPolarHBondContact O-CB 3.46Å; W362-K366 PolarHBondContact O-N 3.42Å; I364-K366 VanDerWaalsContact C-N 3.3Å; I364-K366 PolarHBondContact O-N 3.3Å; K366-S368 PolarHBondContact O-N 3.25Å
367	K	95.2	Very high	95.4	Very high	162 Å²	162	46.4 Å²	46.4	70%	0.704	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.9	36	-178.5	-60.8	176.9	-175.4	-178.4	0	113.2	M202 I364 E365	M202-K367 WeakPolarHBondContact CE-O 3.18Å; I364-K367 PolarHBondContact O-N 3.17Å; E365-K367 PolarHBondContact O-N 2.97Å
368	S	97.8	Very high	95.3	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.021	23%	0.228	C	C	.	.			trans	-75.3	164.8	166.4	-64.2	0	0	0	0	110.5	T201 A327 A330 K366	T201-S368 PolarHBondContact OG1-O 3.43Å; A327-S368 CarbonylContact O-C 3.58Å; A327-S368 WeakPolarHBondContact O-CA 3.35Å; A327-S368 VanDerWaalsContact O-CB 3.23Å; A327-S368 WeakPolarHBondContact O-CB 3.41Å; A330-S368 PolarHBondContact N-OG 3.45Å; K366-S368 PolarHBondContact O-N 3.25Å
369	M	98.6	Very high	95.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.207	C	C	.	.	S	Bend	trans	-65.9	-44	173.4	-64.2	-179	173.8	0	0	111.9	T201 M202 L207 Y210 M211 M221 A273 A327 I328	T201-M369 PolarHBondContact N-O 3.49Å; T201-M369 PolarHBondContact OG1-O 2.03Å; T201-M369 VanDerWaalsContact OG1-O 3.06Å; M202-M369 PolarHBondContact N-O 2.89Å; M202-M369 VanDerWaalsContact N-O 3.12Å; M202-M369 HydrophobicContact SD-CB 4.35Å; M202-M369 HydrophobicContact SD-CG 3.93Å; L207-M369 HydrophobicContact CD2-CB 3.63Å; L207-M369 HydrophobicContact CD2-CG 3.57Å; L207-M369 HydrophobicContact CD2-SD 3.93Å; Y210-M369 HydrophobicContact CD1-CE 3.46Å; Y210-M369 VanDerWaalsContact CD1-CE 3.46Å; Y210-M369 HydrophobicContact CD1-CG 4.41Å; Y210-M369 HydrophobicContact CE1-CE 3.69Å; M211-M369 HydrophobicContact CE-CE 3.76Å; M211-M369 HydrophobicContact CE-SD 4.29Å; M211-M369 HydrophobicContact CG-CE 4.38Å; M221-M369 HydrophobicContact CE-CE 3.79Å; M221-M369 HydrophobicContact SD-CE 3.34Å; M221-M369 WeakPolarHBondContact SD-CE 3.33Å; A273-M369 HydrophobicContact CB-CE 4.43Å; A327-M369 PolarHBondContact O-N 3Å; I328-M369 HydrophobicContact CD1-CE 3.69Å; I328-M369 HydrophobicContact CD1-SD 3.51Å; I328-M369 VanDerWaalsContact CD1-SD 3.51Å; I328-M369 WeakPolarHBondContact O-CB 3.3Å
370	F	98.8	Very high	94.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	166.2	-177	-62.3	-91.5	0	0	0	111	F103 I121 I192 L194 F199 P200 T201 L207 I328 R329 A330	F103-F370 HydrophobicContact CE1-CZ 4.01Å; I121-F370 HydrophobicContact CG2-CE1 3.88Å; I192-F370 HydrophobicContact CD1-CE2 4.05Å; I192-F370 HydrophobicContact CD1-CZ 4.41Å; I192-F370 HydrophobicContact CG2-CD2 4.37Å; I192-F370 HydrophobicContact CG2-CE2 3.81Å; I192-F370 HydrophobicContact CG2-CZ 4.47Å; L194-F370 HydrophobicContact CD1-CD1 4.48Å; L194-F370 HydrophobicContact CD1-CE1 3.93Å; L194-F370 HydrophobicContact CD1-CZ 4.36Å; L194-F370 HydrophobicContact CD2-CD1 3.55Å; L194-F370 HydrophobicContact CD2-CD2 3.89Å; L194-F370 HydrophobicContact CD2-CE1 3.56Å; L194-F370 HydrophobicContact CD2-CE2 3.94Å; L194-F370 HydrophobicContact CD2-CG 3.76Å; L194-F370 HydrophobicContact CD2-CZ 3.8Å; L194-F370 HydrophobicContact CG-CE1 4.43Å; F199-F370 CarbonylContact O-C 3.55Å; F199-F370 WeakPolarHBondContact O-CA 3.49Å; P200-F370 VanDerWaalsContact CA-CD1 3.47Å; P200-F370 HydrophobicContact CB-CD1 3.87Å; P200-F370 HydrophobicContact CB-CE1 3.7Å; T201-F370 PolarHBondContact OG1-N 3.22Å; L207-F370 HydrophobicContact CD1-CE2 4.36Å; L207-F370 HydrophobicContact CD1-CZ 4.02Å; L207-F370 HydrophobicContact CD2-CE2 4.19Å; I328-F370 PolarHBondContact O-N 3.39Å; R329-F370 CarbonylContact C-O 3.48Å; R329-F370 WeakPolarHBondContact CA-O 3.03Å; R329-F370 VanDerWaalsContact NH1-CG 3.3Å; A330-F370 PolarHBondContact N-O 2.97Å
371	A	98.4	Very high	94.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	144.6	174	0	0	0	0	0	112	D198 F199 T201 A330 Y355 I363 F374	D198-A371 WeakPolarHBondContact CA-O 3.28Å; F199-A371 PolarHBondContact N-O 3.42Å; F199-A371 VanDerWaalsContact N-O 3.13Å; F199-A371 PolarHBondContact O-N 2.98Å; T201-A371 HydrophobicContact CG2-CB 4.09Å; A330-A371 HydrophobicContact CB-CB 4.14Å; A330-A371 WeakPolarHBondContact O-CA 3.46Å; Y355-A371 HydrophobicContact CE2-CB 3.9Å; I363-A371 HydrophobicContact CD1-CB 4.34Å; I363-A371 HydrophobicContact CG1-CB 4.4Å; I363-A371 HydrophobicContact CG2-CB 3.58Å; A371-F374 HydrophobicContact CB-CE2 3.93Å; A371-F374 HydrophobicContact CB-CZ 4.1Å
372	N	98	Very high	94.5	Very high	6 Å²	6	45.6 Å²	45.6	3%	0.032	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	126.6	177.1	-171.5	-99.6	0	0	0	110.9	C195 D198 R329 A330 I331 Y355	C195-N372 PolarHBondContact SG-ND2 3.49Å; C195-N372 VanDerWaalsContact SG-ND2 3.4Å; D198-N372 VanDerWaalsContact OD1-CB 3.26Å; D198-N372 WeakPolarHBondContact OD1-CB 3.28Å; D198-N372 PolarHBondContact OD1-ND2 3.1Å; R329-N372 HydrophobicContact CG-CB 3.72Å; A330-N372 PolarHBondContact O-N 3.19Å; I331-N372 HydrophobicContact CG1-CB 4.2Å; Y355-N372 WeakPolarHBondContact CE2-O 3.23Å; Y355-N372 VanDerWaalsContact CZ-O 3.22Å; Y355-N372 PolarHBondContact OH-O 3.06Å; Y355-N372 VanDerWaalsContact OH-O 3.05Å
373	K	96	Very high	94.3	Very high	19 Å²	19	43.6 Å²	43.6	8%	0.083	21%	0.211	C	C	.	.			cis	-134.7	157.1	10	56.5	-174.4	172.1	-164.3	0	113.7	Q197 V349 I352 C353 V354 Y355	Q197-K373 HydrophobicContact CB-CB 3.89Å; Q197-K373 WeakPolarHBondContact O-CA 3.44Å; V349-K373 PolarHBondContact O-NZ 3.3Å; I352-K373 HydrophobicContact CG2-CD 4.28Å; I352-K373 HydrophobicContact CG2-CG 4.27Å; C353-K373 WeakPolarHBondContact O-CG 3.33Å; C353-K373 PolarHBondContact O-N 2.67Å; V354-K373 WeakPolarHBondContact CA-O 3.33Å; V354-K373 HydrophobicContact CB-CG 4.48Å; V354-K373 HydrophobicContact CG2-CD 4.07Å; V354-K373 VanDerWaalsContact CG2-CE 3.44Å; V354-K373 HydrophobicContact CG2-CG 3.97Å; Y355-K373 WeakPolarHBondContact CD2-O 3.43Å; Y355-K373 PolarHBondContact N-O 3.05Å
374	F	96.2	Very high	94	Very high	2 Å²	2	44 Å²	44	1%	0.009	21%	0.213	C	C	.	.			trans	-112.3	147.5	177.2	-61.4	-88.3	0	0	0	112	Q197 F199 Y355 I360 I363 A371 L383 L386	Q197-F374 PolarHBondContact NE2-O 3Å; Q197-F374 VanDerWaalsContact NE2-O 3.08Å; Q197-F374 PolarHBondContact O-N 3.47Å; Q197-F374 VanDerWaalsContact O-N 3.11Å; F199-F374 HydrophobicContact CB-CD2 3.72Å; F199-F374 HydrophobicContact CB-CE2 3.5Å; F199-F374 HydrophobicContact CB-CZ 4.25Å; Y355-F374 HydrophobicContact CD2-CD1 4.39Å; Y355-F374 HydrophobicContact CD2-CD2 4.45Å; Y355-F374 AromaticContact CD2-CE1 3.94Å; Y355-F374 HydrophobicContact CD2-CE1 3.94Å; Y355-F374 HydrophobicContact CD2-CE2 4Å; Y355-F374 AromaticContact CD2-CZ 3.71Å; Y355-F374 HydrophobicContact CD2-CZ 3.71Å; Y355-F374 HydrophobicContact CE2-CE2 4.39Å; Y355-F374 HydrophobicContact CE2-CZ 4.32Å; Y355-F374 HydrophobicContact CG-CE1 4.49Å; I360-F374 HydrophobicContact CD1-CE1 4.16Å; I363-F374 HydrophobicContact CD1-CE1 4.25Å; I363-F374 HydrophobicContact CD1-CZ 3.91Å; A371-F374 HydrophobicContact CB-CE2 3.93Å; A371-F374 HydrophobicContact CB-CZ 4.1Å; F374-L383 HydrophobicContact CB-CD1 4.25Å; F374-L383 HydrophobicContact CD1-CB 4.45Å; F374-L383 HydrophobicContact CD1-CD1 4.09Å; F374-L383 HydrophobicContact CD2-CD1 4.44Å; F374-L383 HydrophobicContact CG-CD1 4Å; F374-L386 HydrophobicContact CE1-CD2 3.9Å; F374-L386 HydrophobicContact CE2-CD2 4.05Å; F374-L386 HydrophobicContact CZ-CD2 3.31Å
375	E	93.5	Very high	93.8	Very high	31 Å²	31	41.8 Å²	41.8	15%	0.145	20%	0.202	C	C	.	.			trans	-137.6	108	172.1	-73.3	-174.9	171	0	0	109.9	Q197 H347 V354 N377 T378 F379	Q197-E375 VanDerWaalsContact NE2-CG 3.28Å; H347-E375 IonicContact CE1-OE2 3.45Å; H347-E375 PolarHBondContact CE1-OE2 3.28Å; H347-E375 IonicContact NE2-OE2 3.84Å; V354-E375 HydrophobicContact CG1-CB 3.73Å; V354-E375 HydrophobicContact CG1-CG 3.69Å; V354-E375 HydrophobicContact CG2-CG 4.4Å; E375-N377 VanDerWaalsContact C-N 3.26Å; E375-N377 PolarHBondContact O-N 3.05Å; E375-T378 PolarHBondContact O-N 3.08Å; E375-T378 PolarHBondContact OE2-OG1 2.95Å; E375-F379 PolarHBondContact O-N 3.27Å
376	I	88.4	Confident	93.8	Very high	19 Å²	19	34.9 Å²	34.9	10%	0.097	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-25.6	-173.9	-164.7	170.3	0	0	0	113.3	D112 I113 T378 P380	D112-I376 HydrophobicContact CB-CD1 4.06Å; I113-I376 HydrophobicContact CD1-CB 4.13Å; I113-I376 HydrophobicContact CD1-CG2 4.14Å; I113-I376 HydrophobicContact CG1-CB 3.98Å; I113-I376 HydrophobicContact CG1-CG2 3.92Å; I376-T378 VanDerWaalsContact C-N 3.3Å; I376-P380 HydrophobicContact CG1-CB 4.17Å; I376-P380 VanDerWaalsContact O-CB 3.31Å; I376-P380 WeakPolarHBondContact O-CB 3.5Å; I376-P380 VanDerWaalsContact O-CD 3.32Å; I376-P380 WeakPolarHBondContact O-CD 3.22Å
377	N	88.6	Confident	93.8	Very high	140 Å²	140	30 Å²	30	75%	0.749	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-18.6	178.8	-64.4	-35	0	0	0	112.7	E375	E375-N377 VanDerWaalsContact C-N 3.26Å; E375-N377 PolarHBondContact O-N 3.05Å
378	T	91.5	Very high	93.6	Very high	64 Å²	64	23.1 Å²	23.1	39%	0.393	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-46.4	-176.3	-45.7	0	0	0	0	111.3	E375 I376	E375-T378 PolarHBondContact O-N 3.08Å; E375-T378 PolarHBondContact OE2-OG1 2.95Å; I376-T378 VanDerWaalsContact C-N 3.3Å
379	F	92.4	Very high	93.5	Very high	50 Å²	50	25.7 Å²	25.7	22%	0.219	13%	0.128	C	C	.	.			trans	-135	65.2	-178.1	-52.8	-65.7	0	0	0	111.4	H347 V354 Y355 E375 E381 A382	H347-F379 AromaticContact CE1-CE2 3.99Å; H347-F379 AromaticContact ND1-CE2 3.24Å; H347-F379 WeakPolarHBondContact ND1-CE2 3.4Å; H347-F379 AromaticContact ND1-CZ 3.65Å; V354-F379 HydrophobicContact CB-CE2 4.49Å; V354-F379 HydrophobicContact CG1-CD2 3.97Å; V354-F379 HydrophobicContact CG1-CE2 4.12Å; Y355-F379 WeakPolarHBondContact O-CB 3.31Å; Y355-F379 VanDerWaalsContact O-CD2 3.23Å; Y355-F379 WeakPolarHBondContact O-CD2 3.18Å; E375-F379 PolarHBondContact O-N 3.27Å; F379-E381 PolarHBondContact O-N 2.88Å; F379-A382 HydrophobicContact CB-CB 4.21Å; F379-A382 WeakPolarHBondContact O-CB 3.31Å; F379-A382 PolarHBondContact O-N 3.36Å
380	P	90.2	Very high	93.4	Very high	21 Å²	21	25.9 Å²	25.9	14%	0.136	13%	0.129	C	C	.	.	H	α-helix	trans	-58.7	-34	-178.7	21.1	-29.3	0	0	0	112.9	I376 A382 L383 D384	I376-P380 HydrophobicContact CG1-CB 4.17Å; I376-P380 VanDerWaalsContact O-CB 3.31Å; I376-P380 WeakPolarHBondContact O-CB 3.5Å; I376-P380 VanDerWaalsContact O-CD 3.32Å; I376-P380 WeakPolarHBondContact O-CD 3.22Å; P380-A382 VanDerWaalsContact C-N 3.27Å; P380-A382 PolarHBondContact O-N 2.81Å; P380-L383 PolarHBondContact O-N 2.59Å; P380-D384 VanDerWaalsContact O-CG 3.32Å; P380-D384 PolarHBondContact O-N 2.78Å
381	E	89.6	Confident	93.3	Very high	102 Å²	102	26 Å²	26	48%	0.477	13%	0.13	S	C	.	.	H	α-helix	trans	-63.3	-33.9	-178	-59.7	75.2	-164.7	0	0	112.1	I357 F379 D384 C385	I357-E381 HydrophobicContact CB-CB 4.44Å; I357-E381 HydrophobicContact CD1-CB 4.46Å; F379-E381 PolarHBondContact O-N 2.88Å; E381-D384 PolarHBondContact O-N 2.69Å; E381-C385 VanDerWaalsContact O-CB 3.27Å; E381-C385 WeakPolarHBondContact O-CB 3.43Å; E381-C385 PolarHBondContact O-N 2.47Å
382	A	92.6	Very high	93.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-62	-47.3	178.1	0	0	0	0	0	110.8	I360 F379 P380 L386	I360-A382 HydrophobicContact CD1-CB 4.09Å; I360-A382 WeakPolarHBondContact CD1-O 3.1Å; F379-A382 HydrophobicContact CB-CB 4.21Å; F379-A382 WeakPolarHBondContact O-CB 3.31Å; F379-A382 PolarHBondContact O-N 3.36Å; P380-A382 VanDerWaalsContact C-N 3.27Å; P380-A382 PolarHBondContact O-N 2.81Å; A382-L386 WeakPolarHBondContact O-CB 3.29Å; A382-L386 PolarHBondContact O-N 3.05Å; A382-L386 VanDerWaalsContact O-N 3.09Å
383	L	92.4	Very high	93.1	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-71.4	-39.1	178.7	-167.3	61.4	0	0	0	111.7	I113 R116 F199 F374 P380 L386 E387	I113-L383 HydrophobicContact CG1-CD2 4.09Å; I113-L383 HydrophobicContact CG2-CD2 4.4Å; R116-L383 VanDerWaalsContact CZ-CG 3.49Å; R116-L383 VanDerWaalsContact NH2-C 3.3Å; R116-L383 PolarHBondContact NH2-O 3.23Å; F199-L383 HydrophobicContact CB-CD1 4.08Å; F199-L383 HydrophobicContact CD1-CD1 4.24Å; F199-L383 HydrophobicContact CD2-CD1 3.4Å; F199-L383 VanDerWaalsContact CD2-CD1 3.4Å; F199-L383 HydrophobicContact CE2-CD1 3.83Å; F199-L383 HydrophobicContact CG-CD1 3.62Å; F199-L383 HydrophobicContact CZ-CD1 4.42Å; F374-L383 HydrophobicContact CB-CD1 4.25Å; F374-L383 HydrophobicContact CD1-CB 4.45Å; F374-L383 HydrophobicContact CD1-CD1 4.09Å; F374-L383 HydrophobicContact CD2-CD1 4.44Å; F374-L383 HydrophobicContact CG-CD1 4Å; P380-L383 PolarHBondContact O-N 2.59Å; L383-L386 PolarHBondContact O-N 2.63Å; L383-E387 VanDerWaalsContact O-CB 3.22Å; L383-E387 WeakPolarHBondContact O-CB 3.44Å; L383-E387 PolarHBondContact O-N 2.97Å
384	D	90.7	Very high	93.2	Very high	7 Å²	7	28.9 Å²	28.9	4%	0.037	14%	0.144	C	C	.	.	H	α-helix	trans	-59.7	-48.9	175.9	-72.5	3	0	0	0	112.1	I58 L61 R116 P380 E381 Q388	I58-D384 HydrophobicContact CG2-CB 4.18Å; L61-D384 HydrophobicContact CD1-CB 4.2Å; L61-D384 WeakPolarHBondContact CD1-O 3.14Å; R116-D384 IonicContact CZ-OD1 2.66Å; R116-D384 IonicContact NH1-OD1 2.99Å; R116-D384 PolarHBondContact NH1-OD1 3.19Å; R116-D384 VanDerWaalsContact NH2-CA 3.26Å; R116-D384 IonicContact NH2-OD1 3.8Å; R116-D384 PolarHBondContact NH2-OD1 3.34Å; P380-D384 VanDerWaalsContact O-CG 3.32Å; P380-D384 PolarHBondContact O-N 2.78Å; E381-D384 PolarHBondContact O-N 2.69Å; D384-Q388 WeakPolarHBondContact O-CB 3.24Å; D384-Q388 PolarHBondContact O-N 3Å
385	C	90.8	Very high	93.2	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.014	15%	0.147	C	C	.	.	H	α-helix	trans	-59.3	-51.8	175.4	155	0	0	0	0	111.4	C52 I58 I357 I360 E381 E387 Q388 W389	C52-C385 HydrophobicContact CB-CB 4.06Å; C52-C385 WeakPolarHBondContact CB-SG 3.43Å; C52-C385 WeakPolarHBondContact SG-CB 3.44Å; C52-C385 CovalentContact SG-SG 2.01Å; C52-C385 PolarHBondContact SG-SG 2.9Å; I58-C385 HydrophobicContact CD1-CB 3.75Å; I357-C385 HydrophobicContact CD1-CB 3.58Å; I360-C385 WeakPolarHBondContact CG2-SG 3.45Å; E381-C385 VanDerWaalsContact O-CB 3.27Å; E381-C385 WeakPolarHBondContact O-CB 3.43Å; E381-C385 PolarHBondContact O-N 2.47Å; C385-E387 VanDerWaalsContact C-N 3.34Å; C385-E387 PolarHBondContact O-N 2.82Å; C385-Q388 PolarHBondContact O-N 2.87Å; C385-W389 WeakPolarHBondContact O-CB 3.42Å; C385-W389 PolarHBondContact O-N 3.48Å
386	L	94.6	Very high	93.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-65.1	-39.6	-175.3	-176.6	61.3	0	0	0	111.8	F199 T201 I360 I363 I364 F374 A382 L383 W389 H390	F199-L386 HydrophobicContact CB-CD2 4.19Å; F199-L386 HydrophobicContact CD1-CD2 3.7Å; F199-L386 HydrophobicContact CD1-CG 3.85Å; F199-L386 HydrophobicContact CE1-CG 4.32Å; F199-L386 HydrophobicContact CG-CD2 4.33Å; T201-L386 HydrophobicContact CG2-CD1 4.31Å; T201-L386 HydrophobicContact CG2-CD2 4.43Å; I360-L386 HydrophobicContact CD1-CB 4.19Å; I360-L386 HydrophobicContact CG2-CD1 4.41Å; I363-L386 HydrophobicContact CG2-CD1 4.49Å; I363-L386 HydrophobicContact CG2-CD2 4.38Å; I364-L386 HydrophobicContact CG1-CD1 4.36Å; F374-L386 HydrophobicContact CE1-CD2 3.9Å; F374-L386 HydrophobicContact CE2-CD2 4.05Å; F374-L386 HydrophobicContact CZ-CD2 3.31Å; A382-L386 WeakPolarHBondContact O-CB 3.29Å; A382-L386 PolarHBondContact O-N 3.05Å; A382-L386 VanDerWaalsContact O-N 3.09Å; L383-L386 PolarHBondContact O-N 2.63Å; L386-W389 HydrophobicContact CD1-CE3 3.81Å; L386-W389 HydrophobicContact CD1-CZ3 4.18Å; L386-W389 PolarHBondContact O-N 2.91Å; L386-H390 WeakPolarHBondContact O-CB 3.48Å; L386-H390 PolarHBondContact O-N 3.12Å
387	E	94.8	Very high	93.9	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.009	18%	0.183	C	C	.	.	H	α-helix	trans	-65.8	-43.9	177.5	-178.4	172.4	-144.8	0	0	112.3	L61 R116 R119 F199 L383 C385 H390 R391 L408	L61-E387 HydrophobicContact CD1-CB 4.4Å; R116-E387 IonicContact CZ-OE2 3.7Å; R116-E387 IonicContact NE-OE2 2.61Å; R116-E387 PolarHBondContact NE-OE2 2.99Å; R116-E387 IonicContact NH2-OE2 3.38Å; R116-E387 PolarHBondContact NH2-OE2 3.41Å; R119-E387 IonicContact CZ-OE1 2.6Å; R119-E387 IonicContact NE-OE1 2.71Å; R119-E387 PolarHBondContact NE-OE1 3.21Å; R119-E387 IonicContact NH2-OE1 3.89Å; R119-E387 PolarHBondContact NH2-OE1 3.05Å; R119-E387 IonicContact NH2-OE2 2.72Å; R119-E387 PolarHBondContact NH2-OE2 3.05Å; F199-E387 HydrophobicContact CE1-CB 3.92Å; F199-E387 HydrophobicContact CE1-CG 4.39Å; F199-E387 HydrophobicContact CZ-CB 3.59Å; F199-E387 HydrophobicContact CZ-CG 3.75Å; L383-E387 VanDerWaalsContact O-CB 3.22Å; L383-E387 WeakPolarHBondContact O-CB 3.44Å; L383-E387 PolarHBondContact O-N 2.97Å; C385-E387 VanDerWaalsContact C-N 3.34Å; C385-E387 PolarHBondContact O-N 2.82Å; E387-H390 PolarHBondContact O-N 3.12Å; E387-R391 WeakPolarHBondContact O-CB 3.49Å; E387-R391 PolarHBondContact O-N 3.46Å; E387-L408 HydrophobicContact CG-CD1 3.56Å
388	Q	92.5	Very high	94.3	Very high	17 Å²	17	30.8 Å²	30.8	8%	0.079	16%	0.157	C	C	.	.	H	α-helix	trans	-62.4	-45.1	176.3	-174.1	64.1	59.7	0	0	111.3	L61 D384 C385 N392 L408	L61-Q388 HydrophobicContact CD1-CB 4.16Å; D384-Q388 WeakPolarHBondContact O-CB 3.24Å; D384-Q388 PolarHBondContact O-N 3Å; C385-Q388 PolarHBondContact O-N 2.87Å; Q388-N392 PolarHBondContact NE2-ND2 3.33Å; Q388-N392 PolarHBondContact NE2-OD1 3.01Å; Q388-N392 WeakPolarHBondContact O-CB 3.32Å; Q388-N392 PolarHBondContact O-N 3.3Å; Q388-N392 PolarHBondContact O-ND2 3.24Å; Q388-L408 PolarHBondContact OE1-O 3.25Å
389	W	94.7	Very high	94.6	Very high	56 Å²	56	32.8 Å²	32.8	21%	0.212	17%	0.169	C	C	.	.	H	α-helix	trans	-59.8	-47.8	176.9	173	87.7	0	0	0	111.1	T201 I364 C385 L386 N392 K393	T201-W389 WeakPolarHBondContact O-CH2 3.39Å; T201-W389 VanDerWaalsContact O-CZ3 3.3Å; T201-W389 WeakPolarHBondContact O-CZ3 3.19Å; I364-W389 HydrophobicContact CB-CH2 4.49Å; I364-W389 HydrophobicContact CB-CZ2 4.28Å; I364-W389 HydrophobicContact CD1-CD2 3.76Å; I364-W389 HydrophobicContact CD1-CE3 4.31Å; I364-W389 HydrophobicContact CD1-CG 3.93Å; I364-W389 HydrophobicContact CD1-CZ2 4.26Å; I364-W389 HydrophobicContact CG1-CD2 4.03Å; I364-W389 HydrophobicContact CG1-CE3 4.16Å; I364-W389 HydrophobicContact CG1-CH2 4.05Å; I364-W389 HydrophobicContact CG1-CZ2 3.94Å; I364-W389 HydrophobicContact CG1-CZ3 4.17Å; I364-W389 HydrophobicContact CG2-CH2 4.03Å; I364-W389 HydrophobicContact CG2-CZ2 3.47Å; I364-W389 VanDerWaalsContact CG2-CZ2 3.47Å; C385-W389 WeakPolarHBondContact O-CB 3.42Å; C385-W389 PolarHBondContact O-N 3.48Å; L386-W389 HydrophobicContact CD1-CE3 3.81Å; L386-W389 HydrophobicContact CD1-CZ3 4.18Å; L386-W389 PolarHBondContact O-N 2.91Å; W389-N392 PolarHBondContact O-N 3.19Å; W389-K393 HydrophobicContact CH2-CD 3.77Å; W389-K393 HydrophobicContact CZ2-CD 3.96Å; W389-K393 HydrophobicContact CZ3-CD 4.23Å; W389-K393 WeakPolarHBondContact O-CB 3.13Å; W389-K393 PolarHBondContact O-N 2.92Å
390	H	97.1	Very high	94.9	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.019	17%	0.172	C	C	.	.	H	α-helix	trans	-62.7	-47.2	179.7	-180	-86.2	0	0	0	111.6	A120 F199 P200 M202 L386 E387 N392 K393 V394	A120-H390 PolarHBondContact O-CE1 2.94Å; F199-H390 HydrophobicContact CE1-CB 4.5Å; P200-H390 PolarHBondContact O-CD2 3.1Å; M202-H390 PolarHBondContact O-NE2 2.95Å; L386-H390 WeakPolarHBondContact O-CB 3.48Å; L386-H390 PolarHBondContact O-N 3.12Å; E387-H390 PolarHBondContact O-N 3.12Å; H390-N392 PolarHBondContact O-N 2.96Å; H390-K393 WeakPolarHBondContact O-CB 3.18Å; H390-K393 PolarHBondContact O-N 3.35Å; H390-V394 VanDerWaalsContact CE1-CG2 3.46Å; H390-V394 WeakPolarHBondContact CE1-CG2 3.37Å; H390-V394 WeakPolarHBondContact O-CG2 3.06Å; H390-V394 PolarHBondContact O-N 2.84Å
391	R	96.5	Very high	95.2	Very high	4 Å²	4	37.3 Å²	37.3	2%	0.015	20%	0.202	C	C	.	.	H	α-helix	trans	-60.3	-46.3	177.7	178.2	62.5	58.7	103	-13.6	112	H86 R119 E387 K393 V394 L395 W406 L408	H86-R391 PolarHBondContact O-NH1 3.02Å; H86-R391 PolarHBondContact O-NH2 3.26Å; R119-R391 PolarHBondContact O-NH2 3.31Å; E387-R391 WeakPolarHBondContact O-CB 3.49Å; E387-R391 PolarHBondContact O-N 3.46Å; R391-K393 VanDerWaalsContact C-N 3.27Å; R391-K393 PolarHBondContact O-N 3.45Å; R391-V394 PolarHBondContact O-N 3.44Å; R391-L395 HydrophobicContact CG-CD1 3.96Å; R391-L395 HydrophobicContact CG-CG 4.28Å; R391-L395 WeakPolarHBondContact O-CG 3.36Å; R391-L395 PolarHBondContact O-N 2.76Å; R391-W406 WeakPolarHBondContact CD-O 3.28Å; R391-W406 PolarHBondContact NH1-O 3.5Å; R391-L408 HydrophobicContact CB-CD1 3.57Å; R391-L408 HydrophobicContact CB-CG 4.15Å; R391-L408 HydrophobicContact CG-CB 4.4Å; R391-L408 HydrophobicContact CG-CD1 3.84Å; R391-L408 HydrophobicContact CG-CG 3.83Å
392	N	95.2	Very high	95.5	Very high	32 Å²	32	35.7 Å²	35.7	17%	0.171	20%	0.196	C	C	.	.	H	α-helix	trans	-59.8	-42.4	178.2	-71.9	-15.4	0	0	0	110.8	Q388 W389 H390 L395 N396	Q388-N392 PolarHBondContact NE2-ND2 3.33Å; Q388-N392 PolarHBondContact NE2-OD1 3.01Å; Q388-N392 WeakPolarHBondContact O-CB 3.32Å; Q388-N392 PolarHBondContact O-N 3.3Å; Q388-N392 PolarHBondContact O-ND2 3.24Å; W389-N392 PolarHBondContact O-N 3.19Å; H390-N392 PolarHBondContact O-N 2.96Å; N392-L395 PolarHBondContact O-N 2.93Å; N392-N396 VanDerWaalsContact O-CB 3.28Å; N392-N396 WeakPolarHBondContact O-CB 3.39Å; N392-N396 PolarHBondContact O-N 3.15Å; N392-N396 PolarHBondContact O-ND2 3.35Å
393	K	96.4	Very high	95.6	Very high	47 Å²	47	38.8 Å²	38.8	20%	0.204	21%	0.213	C	C	.	.	H	α-helix	trans	-59.6	-47.7	175.3	-173.9	-175.6	-168.8	-170.8	0	112.2	T201 E206 W389 H390 R391 N396 Q397	T201-K393 PolarHBondContact O-NZ 3.44Å; E206-K393 WeakPolarHBondContact OE1-CE 3.42Å; E206-K393 IonicContact OE1-NZ 2.9Å; E206-K393 PolarHBondContact OE1-NZ 3.22Å; E206-K393 WeakPolarHBondContact OE2-CE 3.44Å; E206-K393 IonicContact OE2-NZ 2.76Å; E206-K393 PolarHBondContact OE2-NZ 3.34Å; W389-K393 HydrophobicContact CH2-CD 3.77Å; W389-K393 HydrophobicContact CZ2-CD 3.96Å; W389-K393 HydrophobicContact CZ3-CD 4.23Å; W389-K393 WeakPolarHBondContact O-CB 3.13Å; W389-K393 PolarHBondContact O-N 2.92Å; H390-K393 WeakPolarHBondContact O-CB 3.18Å; H390-K393 PolarHBondContact O-N 3.35Å; R391-K393 VanDerWaalsContact C-N 3.27Å; R391-K393 PolarHBondContact O-N 3.45Å; K393-N396 PolarHBondContact O-N 3.31Å; K393-Q397 WeakPolarHBondContact O-CG 3.38Å; K393-Q397 PolarHBondContact O-N 3.15Å
394	V	98.3	Very high	95.6	Very high	6 Å²	6	43.4 Å²	43.4	4%	0.036	24%	0.243	C	C	.	.	H	α-helix	trans	-59.6	-50.1	177.6	170.5	0	0	0	0	111.2	I88 L92 M123 H390 R391 N396 Q397 A398	I88-V394 HydrophobicContact CD1-CG1 3.83Å; L92-V394 HydrophobicContact CD1-CG1 3.49Å; L92-V394 VanDerWaalsContact CD1-CG1 3.49Å; M123-V394 HydrophobicContact CE-CG1 3.96Å; H390-V394 VanDerWaalsContact CE1-CG2 3.46Å; H390-V394 WeakPolarHBondContact CE1-CG2 3.37Å; H390-V394 WeakPolarHBondContact O-CG2 3.06Å; H390-V394 PolarHBondContact O-N 2.84Å; R391-V394 PolarHBondContact O-N 3.44Å; V394-N396 VanDerWaalsContact C-N 3.35Å; V394-N396 PolarHBondContact O-N 2.96Å; V394-Q397 PolarHBondContact O-N 3.34Å; V394-Q397 VanDerWaalsContact O-N 3.16Å; V394-A398 PolarHBondContact O-N 3.47Å
395	L	97.3	Very high	95.7	Very high	15 Å²	15	43.9 Å²	43.9	8%	0.079	25%	0.247	C	C	.	.	H	α-helix	trans	-69.8	-32.2	-176.8	-61.7	179.7	0	0	0	112.6	I88 R391 N392 Q397 A398 I402 W406 L407	I88-L395 HydrophobicContact CD1-CD2 4.17Å; R391-L395 HydrophobicContact CG-CD1 3.96Å; R391-L395 HydrophobicContact CG-CG 4.28Å; R391-L395 WeakPolarHBondContact O-CG 3.36Å; R391-L395 PolarHBondContact O-N 2.76Å; N392-L395 PolarHBondContact O-N 2.93Å; L395-Q397 PolarHBondContact O-N 3.31Å; L395-A398 WeakPolarHBondContact O-CB 3.44Å; L395-A398 PolarHBondContact O-N 2.91Å; L395-I402 HydrophobicContact CB-CD1 4.18Å; L395-I402 HydrophobicContact CD1-CG2 4.34Å; L395-I402 HydrophobicContact CD2-CD1 4.15Å; L395-I402 HydrophobicContact CD2-CG2 4.41Å; L395-W406 HydrophobicContact CD2-CB 4.14Å; L395-W406 HydrophobicContact CD2-CE3 4.12Å; L395-L407 HydrophobicContact CD1-CD2 3.65Å
396	N	97.5	Very high	95.9	Very high	139 Å²	139	44 Å²	44	74%	0.743	25%	0.247	S	C	*	.	H	α-helix	trans	-67.1	-19.4	174.3	-73.1	-15.5	0	0	0	113.3	N392 K393 V394	N392-N396 VanDerWaalsContact O-CB 3.28Å; N392-N396 WeakPolarHBondContact O-CB 3.39Å; N392-N396 PolarHBondContact O-N 3.15Å; N392-N396 PolarHBondContact O-ND2 3.35Å; K393-N396 PolarHBondContact O-N 3.31Å; V394-N396 VanDerWaalsContact C-N 3.35Å; V394-N396 PolarHBondContact O-N 2.96Å
397	Q	98.1	Very high	95.7	Very high	54 Å²	54	48 Å²	48	25%	0.252	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-6.8	177.1	-70.4	172.3	-17.1	0	0	113	S203 L205 K393 V394 L395	S203-Q397 PolarHBondContact OG-OE1 2.58Å; L205-Q397 HydrophobicContact CD2-CB 3.99Å; L205-Q397 HydrophobicContact CD2-CG 4.43Å; K393-Q397 WeakPolarHBondContact O-CG 3.38Å; K393-Q397 PolarHBondContact O-N 3.15Å; V394-Q397 PolarHBondContact O-N 3.34Å; V394-Q397 VanDerWaalsContact O-N 3.16Å; L395-Q397 PolarHBondContact O-N 3.31Å
398	A	97.8	Very high	95.3	Very high	23 Å²	23	48.2 Å²	48.2	19%	0.19	27%	0.269	C	S	.	.			trans	-67.8	139.5	-177.9	0	0	0	0	0	111.6	L92 V394 L395 I402	L92-A398 HydrophobicContact CB-CB 4.11Å; L92-A398 HydrophobicContact CD1-CB 4.33Å; L92-A398 HydrophobicContact CD2-CB 4.08Å; L92-A398 HydrophobicContact CG-CB 4.41Å; V394-A398 PolarHBondContact O-N 3.47Å; L395-A398 WeakPolarHBondContact O-CB 3.44Å; L395-A398 PolarHBondContact O-N 2.91Å; A398-I402 HydrophobicContact CB-CD1 3.52Å
399	T	97.8	Very high	94.1	Very high	107 Å²	107	56 Å²	56	66%	0.656	30%	0.298	S	S	*	.	S	Bend	trans	-102.7	3.8	175.3	62.7	0	0	0	0	112.6	L92 S93	L92-T399 PolarHBondContact O-N 3.43Å; L92-T399 PolarHBondContact O-OG1 2.78Å; S93-T399 WeakPolarHBondContact CA-OG1 3.46Å
400	V	97.1	Very high	92	Very high	45 Å²	45	57.2 Å²	57.2	27%	0.273	32%	0.315	S	S	.	.	S	Bend	trans	-114.5	158.3	178.4	-58.9	0	0	0	0	110.4	L92 I402 W406	L92-V400 HydrophobicContact CD2-CG2 3.85Å; V400-I402 PolarHBondContact O-N 3.33Å; V400-W406 HydrophobicContact CG2-CH2 4.4Å; V400-W406 HydrophobicContact CG2-CZ3 4.38Å
401	P	97.2	Very high	89.3	Confident	120 Å²	120	62.8 Å²	62.8	78%	0.779	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-56.2	131.8	174.3	-25.4	35	0	0	0	112.2	N403	P401-N403 PolarHBondContact O-N 3.23Å
402	I	96.2	Very high	86.2	Confident	68 Å²	68	69.8 Å²	69.8	35%	0.349	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-74.7	122.3	178.9	-55.4	-56	0	0	0	109.9	L395 A398 V400 W406	L395-I402 HydrophobicContact CB-CD1 4.18Å; L395-I402 HydrophobicContact CD1-CG2 4.34Å; L395-I402 HydrophobicContact CD2-CD1 4.15Å; L395-I402 HydrophobicContact CD2-CG2 4.41Å; A398-I402 HydrophobicContact CB-CD1 3.52Å; V400-I402 PolarHBondContact O-N 3.33Å; I402-W406 HydrophobicContact CD1-CZ3 4.48Å; I402-W406 HydrophobicContact CG2-CE3 4.23Å
403	N	95	Very high	83.2	Confident	66 Å²	66	75 Å²	75	35%	0.353	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-75.8	130.1	169.7	-168.7	-54.2	0	0	0	109.9	P401 S405 W406	P401-N403 PolarHBondContact O-N 3.23Å; N403-S405 VanDerWaalsContact CG-OG 3.31Å; N403-S405 PolarHBondContact O-N 3.02Å; N403-S405 VanDerWaalsContact O-N 3.07Å; N403-S405 WeakPolarHBondContact OD1-CB 3.18Å; N403-S405 PolarHBondContact OD1-N 2.91Å; N403-S405 PolarHBondContact OD1-OG 2.96Å; N403-W406 HydrophobicContact CB-CD2 3.62Å; N403-W406 VanDerWaalsContact CB-CE2 3.43Å; N403-W406 HydrophobicContact CB-CE3 4.07Å; N403-W406 HydrophobicContact CB-CG 4.02Å; N403-W406 HydrophobicContact CB-CH2 4.16Å; N403-W406 HydrophobicContact CB-CZ2 3.73Å; N403-W406 HydrophobicContact CB-CZ3 4.32Å; N403-W406 WeakPolarHBondContact O-CB 3.41Å; N403-W406 PolarHBondContact O-N 2.91Å
404	P	92.8	Very high	79.8	Confident	97 Å²	97	77.2 Å²	77.2	63%	0.63	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-55.7	-27.8	178.4	-27.9	35.5	0	0	0	114.6	W406 L407	P404-W406 PolarHBondContact O-N 2.74Å; P404-L407 WeakPolarHBondContact O-CB 3.38Å; P404-L407 PolarHBondContact O-N 2.95Å; P404-L407 VanDerWaalsContact O-N 3.15Å
405	S	92.1	Very high	76.4	Confident	18 Å²	18	82.5 Å²	82.5	13%	0.126	46%	0.455	C	S	.	.	G	3₁₀ helix	trans	-66.5	-18.6	175.9	62.3	0	0	0	0	113.9	H86 N403 L407	H86-S405 WeakPolarHBondContact CA-O 3.43Å; H86-S405 WeakPolarHBondContact CB-O 3.38Å; H86-S405 PolarHBondContact ND1-O 2.83Å; N403-S405 VanDerWaalsContact CG-OG 3.31Å; N403-S405 PolarHBondContact O-N 3.02Å; N403-S405 VanDerWaalsContact O-N 3.07Å; N403-S405 WeakPolarHBondContact OD1-CB 3.18Å; N403-S405 PolarHBondContact OD1-N 2.91Å; N403-S405 PolarHBondContact OD1-OG 2.96Å; S405-L407 VanDerWaalsContact C-N 3.31Å
406	W	94.3	Very high	73	Confident	5 Å²	5	89 Å²	89	2%	0.019	49%	0.49	C	S	.	.	G	3₁₀ helix	trans	-83.2	-7.6	175.2	-51.3	-20.4	0	0	0	112.7	F87 I88 N89 L92 R391 L395 V400 I402 N403 P404 L408	F87-W406 VanDerWaalsContact O-CD1 3.23Å; I88-W406 HydrophobicContact CG1-CB 4.1Å; I88-W406 HydrophobicContact CG1-CD2 4.28Å; I88-W406 HydrophobicContact CG1-CG 3.99Å; I88-W406 HydrophobicContact CG2-CD2 4.34Å; N89-W406 PolarHBondContact OD1-NE1 3.34Å; L92-W406 HydrophobicContact CD2-CE3 4.29Å; L92-W406 HydrophobicContact CD2-CH2 4.17Å; L92-W406 HydrophobicContact CD2-CZ3 3.72Å; R391-W406 WeakPolarHBondContact CD-O 3.28Å; R391-W406 PolarHBondContact NH1-O 3.5Å; L395-W406 HydrophobicContact CD2-CB 4.14Å; L395-W406 HydrophobicContact CD2-CE3 4.12Å; V400-W406 HydrophobicContact CG2-CH2 4.4Å; V400-W406 HydrophobicContact CG2-CZ3 4.38Å; I402-W406 HydrophobicContact CD1-CZ3 4.48Å; I402-W406 HydrophobicContact CG2-CE3 4.23Å; N403-W406 HydrophobicContact CB-CD2 3.62Å; N403-W406 VanDerWaalsContact CB-CE2 3.43Å; N403-W406 HydrophobicContact CB-CE3 4.07Å; N403-W406 HydrophobicContact CB-CG 4.02Å; N403-W406 HydrophobicContact CB-CH2 4.16Å; N403-W406 HydrophobicContact CB-CZ2 3.73Å; N403-W406 HydrophobicContact CB-CZ3 4.32Å; N403-W406 WeakPolarHBondContact O-CB 3.41Å; N403-W406 PolarHBondContact O-N 2.91Å; P404-W406 PolarHBondContact O-N 2.74Å; W406-L408 PolarHBondContact O-N 3.28Å
407	L	91.8	Very high	69.8	Low	82 Å²	82	95 Å²	95	43%	0.429	51%	0.509	S	S	.	.	S	Bend	trans	-77.6	124.3	175.4	-65.6	169	0	0	0	108.9	H86 L395 P404 S405 W409	H86-L407 PolarHBondContact CE1-O 2.87Å; H86-L407 PolarHBondContact ND1-O 3.46Å; L395-L407 HydrophobicContact CD1-CD2 3.65Å; P404-L407 WeakPolarHBondContact O-CB 3.38Å; P404-L407 PolarHBondContact O-N 2.95Å; P404-L407 VanDerWaalsContact O-N 3.15Å; S405-L407 VanDerWaalsContact C-N 3.31Å; L407-W409 PolarHBondContact O-N 3.36Å
408	L	85.6	Confident	68.4	Low	7 Å²	7	97 Å²	97	4%	0.037	52%	0.522	C	S	.	.			trans	-75.1	116.5	165.8	-65.2	179.8	0	0	0	107.1	L61 H86 R119 E387 Q388 R391 W406 S410	L61-L408 HydrophobicContact CD2-CB 3.52Å; L61-L408 HydrophobicContact CD2-CD1 4.22Å; L61-L408 HydrophobicContact CD2-CD2 4.46Å; L61-L408 HydrophobicContact CD2-CG 4.28Å; H86-L408 HydrophobicContact CB-CD2 3.75Å; R119-L408 VanDerWaalsContact CZ-CD2 3.44Å; E387-L408 HydrophobicContact CG-CD1 3.56Å; Q388-L408 PolarHBondContact OE1-O 3.25Å; R391-L408 HydrophobicContact CB-CD1 3.57Å; R391-L408 HydrophobicContact CB-CG 4.15Å; R391-L408 HydrophobicContact CG-CB 4.4Å; R391-L408 HydrophobicContact CG-CD1 3.84Å; R391-L408 HydrophobicContact CG-CG 3.83Å; W406-L408 PolarHBondContact O-N 3.28Å; L408-S410 PolarHBondContact O-N 2.82Å; L408-S410 VanDerWaalsContact O-N 3.13Å
409	W	68.6	Low	66.8	Low	181 Å²	181	100.9 Å²	100.9	69%	0.686	54%	0.54	S	S	*	.			trans	-65.3	114.8	-169.2	-67.2	4.5	0	0	0	111.6	H86 L407	H86-W409 AromaticContact CE1-CD1 3.96Å; H86-W409 AromaticContact CE1-NE1 3.79Å; L407-W409 PolarHBondContact O-N 3.36Å
410	S	50.3	Low	65.1	Low	81 Å²	81	100.6 Å²	100.6	57%	0.566	53%	0.533	S	S	*	.			trans	-103.3	108	156.8	68.6	0	0	0	0	107.8	L408 N412	L408-S410 PolarHBondContact O-N 2.82Å; L408-S410 VanDerWaalsContact O-N 3.13Å; S410-N412 PolarHBondContact O-N 2.78Å
411	H	39.4	Very low	63.2	Low	121 Å²	121	103.8 Å²	103.8	56%	0.56	55%	0.549	S	S	*	.	S	Bend	trans	-56.6	106.8	178.3	-116	51.4	0	0	0	110.5
412	N	32.3	Very low	61.1	Low	152 Å²	152	102.8 Å²	102.8	81%	0.813	53%	0.534	S	S	*	.			trans	-148.9	17.5	153.9	-122.9	12.7	0	0	0	113.5	S410	S410-N412 PolarHBondContact O-N 2.78Å
413	N	31.1	Very low	58.8	Low	140 Å²	140	105.1 Å²	105.1	75%	0.749	55%	0.546	S	S	*	.			trans	-138.2	73.1	169.6	-81.7	-23.4	0	0	0	109	I415	N413-I415 HydrophobicContact CB-CG1 4.41Å; N413-I415 PolarHBondContact O-N 2.82Å
414	S	25.7	Very low	56.2	Low	95 Å²	95	107.9 Å²	107.9	66%	0.664	56%	0.56	S	S	*	*			trans	-65.1	86.8	146.1	28.7	0	0	0	0	107.1	N416	S414-N416 PolarHBondContact O-N 3.03Å
415	I	27.3	Very low	53.4	Low	116 Å²	116	108.8 Å²	108.8	60%	0.595	56%	0.555	S	S	*	*			trans	-79.1	105.9	157.7	-61.9	174.3	0	0	0	104.5	N413 F417	N413-I415 HydrophobicContact CB-CG1 4.41Å; N413-I415 PolarHBondContact O-N 2.82Å; I415-F417 HydrophobicContact CG2-CD2 3.76Å; I415-F417 HydrophobicContact CG2-CE2 3.5Å; I415-F417 HydrophobicContact CG2-CZ 4.27Å; I415-F417 PolarHBondContact O-N 3.43Å
416	N	25.4	Very low	50.1	Low	152 Å²	152	116.3 Å²	116.3	81%	0.813	59%	0.591	S	S	*	*			trans	-53.5	123	163.8	-73.7	-28.3	0	0	0	108.1	S414	S414-N416 PolarHBondContact O-N 3.03Å
417	F	30.1	Very low	46.1	Very low	264 Å²	264	126.5 Å²	126.5	100%	1.158	64%	0.643	S	S	*	*			trans	-123.3	0	153.2	-85	-71.6	0	0	0	108.1	I415	I415-F417 HydrophobicContact CG2-CD2 3.76Å; I415-F417 HydrophobicContact CG2-CE2 3.5Å; I415-F417 HydrophobicContact CG2-CZ 4.27Å; I415-F417 PolarHBondContact O-N 3.43Å

Retrieved 417 of 417 residues in 134 ms (Link to these results)

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