A0A087XUG1_POEFO Loading...

L3MBTL histone methyl-lysine binding protein 4

AlphaFold DB , UniProt , Accession A0A087XUG1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 664 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.9	Very low	29.1	Very low	245 Å²	245	148.5 Å²	148.5	100%	1.207	82%	0.822	S	S	*	*				0	160.6	0	-81.6	175.1	168.9	0	0	109
2	R	28.9	Very low	28.8	Very low	247 Å²	247	146.5 Å²	146.5	93%	0.932	82%	0.816	S	S	*	*			trans	-24.9	154.7	163.5	-56.2	165.9	177.5	173.6	-3.5	114.7
3	A	28.9	Very low	28.4	Very low	98 Å²	98	143.2 Å²	143.2	81%	0.81	80%	0.802	S	S	*	*			cis	-173	-173.4	-17.3	0	0	0	0	0	106.1
4	A	28.8	Very low	28.1	Very low	89 Å²	89	144.5 Å²	144.5	74%	0.736	81%	0.805	S	S	*	*			cis	-158.1	172.7	5.4	0	0	0	0	0	113
5	L	29.9	Very low	27.7	Very low	163 Å²	163	141.6 Å²	141.6	85%	0.853	80%	0.797	S	S	*	*			trans	-12.9	167.6	146.8	-65.8	174.3	0	0	0	121.6
6	P	41.7	Very low	27.4	Very low	123 Å²	123	141.6 Å²	141.6	80%	0.799	80%	0.8	S	S	*	*			cis	-137.2	-172	-13.9	31.1	-7.9	0	0	0	115.9
7	A	27.6	Very low	27.4	Very low	87 Å²	87	139.6 Å²	139.6	72%	0.719	80%	0.798	S	S	*	*			trans	-95.6	-172.9	-176.9	0	0	0	0	0	116
8	S	25.8	Very low	27.1	Very low	104 Å²	104	136.3 Å²	136.3	73%	0.727	79%	0.79	S	S	*	*			trans	88.8	108.3	139.1	64.1	0	0	0	0	122.4
9	S	25.6	Very low	27	Very low	109 Å²	109	136.3 Å²	136.3	76%	0.762	79%	0.792	S	S	*	*				-179	127.9	107.8	-75.7	0	0	0	0	109.8
10	F	25	Very low	26.8	Very low	169 Å²	169	136.1 Å²	136.1	74%	0.741	79%	0.793	S	S	*	*				56.2	132.4	78.6	-83.8	-101	0	0	0	113
11	R	26.9	Very low	26.8	Very low	200 Å²	200	141.1 Å²	141.1	76%	0.755	80%	0.799	S	S	*	*			cis	-165.8	150.8	3.4	-149.7	-178	-152.1	161.7	1.3	106.8
12	V	25.6	Very low	26.6	Very low	124 Å²	124	136.2 Å²	136.2	75%	0.752	78%	0.776	S	S	*	*				161.6	119.7	101.1	166	0	0	0	0	103.6
13	V	24.4	Very low	26.3	Very low	104 Å²	104	132.2 Å²	132.2	63%	0.63	77%	0.771	S	S	*	*			cis	90.6	103.1	48.6	171.5	0	0	0	0	114
14	L	24.1	Very low	26.1	Very low	161 Å²	161	133.5 Å²	133.5	84%	0.843	77%	0.769	S	S	*	*			trans	56.2	156.7	143	-64.7	168.6	0	0	0	119.2
15	C	22.3	Very low	26.1	Very low	101 Å²	101	134.8 Å²	134.8	68%	0.682	77%	0.768	S	S	*	*			cis	-152.4	146.7	12.3	-153.6	0	0	0	0	111.5
16	V	22.8	Very low	25.9	Very low	141 Å²	141	136.3 Å²	136.3	86%	0.855	77%	0.771	S	S	*	*			trans	-120.7	118.5	162.5	178.2	0	0	0	0	108
17	S	26.1	Very low	25.2	Very low	108 Å²	108	141.6 Å²	141.6	76%	0.755	77%	0.774	S	S	*	*			trans	-101	116.9	167.7	-114.4	0	0	0	0	107.1
18	A	23.6	Very low	25.1	Very low	80 Å²	80	149.8 Å²	149.8	66%	0.661	79%	0.787	S	S	*	*				63.8	116	71.6	0	0	0	0	0	113
19	V	24.2	Very low	25.1	Very low	136 Å²	136	148.9 Å²	148.9	82%	0.824	79%	0.793	S	S	*	*				-166	123.5	103.3	166.4	0	0	0	0	109.1
20	T	23.4	Very low	25	Very low	133 Å²	133	147.5 Å²	147.5	82%	0.816	80%	0.797	S	S	*	*			trans	-135.5	127.6	155.9	-53.3	0	0	0	0	107.2
21	R	26.6	Very low	25.1	Very low	242 Å²	242	149.4 Å²	149.4	91%	0.913	81%	0.808	S	S	*	*			trans	-134	135.8	165.3	-94.3	-169.8	174.8	-178.7	-0.7	110.8
22	I	25.9	Very low	25	Very low	142 Å²	142	143.7 Å²	143.7	73%	0.728	81%	0.811	S	S	*	*			trans	-85	145.4	-173.4	-67.4	159.8	0	0	0	109.3	T24	I22-T24 WeakPolarHBondContact CG2-OG1 3.43Å
23	I	24	Very low	25	Very low	162 Å²	162	144 Å²	144	83%	0.831	81%	0.814	S	S	*	*			trans	-114.2	118.5	159	-66.4	172.8	0	0	0	107.1
24	T	25.1	Very low	25.2	Very low	125 Å²	125	146 Å²	146	77%	0.767	83%	0.826	S	S	*	*			trans	-118	136.4	165.9	-42	0	0	0	0	108	I22	I22-T24 WeakPolarHBondContact CG2-OG1 3.43Å
25	V	27.6	Very low	25.4	Very low	117 Å²	117	147.1 Å²	147.1	71%	0.709	83%	0.827	S	S	*	*			trans	-88.9	140.3	-178.5	172	0	0	0	0	109.8
26	E	24.8	Very low	25.7	Very low	195 Å²	195	151.4 Å²	151.4	91%	0.911	84%	0.837	S	S	*	*			trans	-133	139.1	155.8	-119.2	-176.5	167.5	0	0	111.6
27	R	27.1	Very low	25.9	Very low	233 Å²	233	152.2 Å²	152.2	88%	0.879	84%	0.837	S	S	*	*			trans	-112.2	138.3	176.8	-82.2	176.6	165	173.8	-5.4	108.9
28	R	27.2	Very low	26	Very low	260 Å²	260	156.6 Å²	156.6	98%	0.981	84%	0.842	S	S	*	*			trans	-155.2	150.9	140.1	-107.9	167.6	-163.9	-141.7	3.1	109.4
29	G	24.3	Very low	26.2	Very low	84 Å²	84	161.9 Å²	161.9	87%	0.866	85%	0.853	S	S	*	*			trans	-97.9	-176.8	-163.7	0	0	0	0	0	115.2
30	G	24	Very low	26.2	Very low	81 Å²	81	163.6 Å²	163.6	84%	0.835	85%	0.852	S	S	*	*			trans	-174.1	130.9	171.4	0	0	0	0	0	109.6
31	E	26.2	Very low	26.4	Very low	208 Å²	208	164.7 Å²	164.7	97%	0.972	85%	0.85	S	S	*	*			trans	-78	152.9	171.7	-64.1	166.2	118.7	0	0	110.1
32	G	26.5	Very low	26.4	Very low	80 Å²	80	163 Å²	163	83%	0.825	85%	0.849	S	S	*	*			trans	173.7	114.7	175.7	0	0	0	0	0	113.6
33	T	25.1	Very low	26.5	Very low	132 Å²	132	164 Å²	164	81%	0.81	86%	0.856	S	S	*	*			trans	-75.2	144.4	174.3	49.5	0	0	0	0	112.6
34	T	28	Very low	26.7	Very low	144 Å²	144	165.2 Å²	165.2	88%	0.883	86%	0.855	S	S	*	*				-173.4	153.2	119.7	27.2	0	0	0	0	111.5
35	E	27.8	Very low	26.9	Very low	186 Å²	186	165.9 Å²	165.9	87%	0.869	86%	0.859	S	S	*	*			trans	-73.3	154.3	173.2	-56.8	167.8	143	0	0	111.6
36	E	28.8	Very low	27	Very low	191 Å²	191	164.8 Å²	164.8	89%	0.893	86%	0.857	S	S	*	*			trans	-164.5	118.4	136.7	-115.7	177.8	-153.7	0	0	110.7
37	D	27	Very low	27.1	Very low	157 Å²	157	159.9 Å²	159.9	84%	0.84	84%	0.843	S	S	*	*			trans	-73.8	135.5	176.5	-81.6	-47.2	0	0	0	112.2
38	K	29.1	Very low	27.2	Very low	201 Å²	201	154.3 Å²	154.3	87%	0.874	84%	0.835	S	S	*	*			trans	-141.9	100.3	147.7	-71.4	-164.9	177.4	173.1	0	111.1
39	E	26.7	Very low	27.4	Very low	191 Å²	191	149.9 Å²	149.9	89%	0.893	83%	0.826	S	S	*	*			trans	-66.4	133.2	157.1	-70.7	-166.3	117	0	0	109.9
40	E	25	Very low	27.7	Very low	171 Å²	171	151.3 Å²	151.3	80%	0.799	82%	0.818	S	S	*	*			trans	-154.3	140.5	138.5	-131.3	-176.2	160.4	0	0	113.6
41	M	28.6	Very low	28	Very low	157 Å²	157	152 Å²	152	77%	0.773	81%	0.81	S	S	*	*			trans	47.5	94.6	160.3	-96.3	48.3	162.8	0	0	120	N43	M41-N43 PolarHBondContact O-N 3.41Å
42	K	26.2	Very low	28.5	Very low	205 Å²	205	147.7 Å²	147.7	89%	0.891	80%	0.798	S	S	*	*			trans	-58.8	127.9	147.6	-79.2	167.8	178.1	153.3	0	110.3
43	N	28.3	Very low	29.2	Very low	163 Å²	163	152.7 Å²	152.7	87%	0.872	80%	0.796	S	S	*	*			trans	-131.1	112.1	149.2	-114.8	-24.5	0	0	0	110.3	M41 V45	M41-N43 PolarHBondContact O-N 3.41Å; N43-V45 PolarHBondContact O-N 3.16Å
44	K	28.1	Very low	30.2	Very low	189 Å²	189	156 Å²	156	82%	0.822	79%	0.794	S	S	*	*			trans	-99.2	86	-165.2	-174.4	-174.7	-179.4	-176.3	0	110.8	S46	K44-S46 PolarHBondContact O-N 3.5Å
45	V	28.2	Very low	31.7	Very low	139 Å²	139	159 Å²	159	84%	0.842	79%	0.789	S	S	*	*			trans	-83.9	104	165.1	179.6	0	0	0	0	108.7	N43 S47	N43-V45 PolarHBondContact O-N 3.16Å; V45-S47 VanDerWaalsContact C-N 3.3Å; V45-S47 PolarHBondContact O-N 3.41Å
46	S	30.3	Very low	34	Very low	94 Å²	94	155 Å²	155	66%	0.657	78%	0.782	S	S	*	*			trans	-75.2	78.4	178.4	-167.6	0	0	0	0	110.9	K44 T48	K44-S46 PolarHBondContact O-N 3.5Å; S46-T48 PolarHBondContact O-N 3.39Å
47	S	27.6	Very low	37	Very low	91 Å²	91	149.1 Å²	149.1	64%	0.636	75%	0.752	S	S	*	*			trans	-77.1	97	164.9	-172.2	0	0	0	0	108.6	V45 Q49	V45-S47 VanDerWaalsContact C-N 3.3Å; V45-S47 PolarHBondContact O-N 3.41Å; S47-Q49 PolarHBondContact O-N 3.46Å
48	T	28.7	Very low	40.2	Very low	116 Å²	116	143.8 Å²	143.8	71%	0.712	73%	0.727	S	S	*	*			trans	-72.8	67.3	173.8	-45.6	0	0	0	0	109.6	S46 V50	S46-T48 PolarHBondContact O-N 3.39Å; T48-V50 VanDerWaalsContact C-N 3.28Å; T48-V50 HydrophobicContact CG2-CG2 4.48Å; T48-V50 PolarHBondContact O-N 3.29Å
49	Q	30.6	Very low	43.4	Very low	167 Å²	167	135.1 Å²	135.1	78%	0.78	69%	0.688	S	S	*	*			trans	-67.4	94.4	164.2	-78.6	-169.7	-15.5	0	0	108	S47 S51	S47-Q49 PolarHBondContact O-N 3.46Å; Q49-S51 PolarHBondContact O-N 3.21Å
50	V	30.1	Very low	46.7	Very low	115 Å²	115	133.2 Å²	133.2	70%	0.697	68%	0.679	S	S	*	*			trans	-59.4	95.5	157.7	179.5	0	0	0	0	106	T48 V52	T48-V50 VanDerWaalsContact C-N 3.28Å; T48-V50 HydrophobicContact CG2-CG2 4.48Å; T48-V50 PolarHBondContact O-N 3.29Å; V50-V52 HydrophobicContact CG1-CG2 4.15Å; V50-V52 PolarHBondContact O-N 3.2Å
51	S	31.3	Very low	50	Low	96 Å²	96	128 Å²	128	67%	0.671	66%	0.655	S	S	*	*			trans	-67.7	89.3	170.6	53.3	0	0	0	0	107.5	Q49 K53	Q49-S51 PolarHBondContact O-N 3.21Å; S51-K53 PolarHBondContact O-N 3.47Å
52	V	36.8	Very low	53.2	Low	117 Å²	117	121.5 Å²	121.5	71%	0.709	62%	0.622	S	S	*	*			trans	-63.4	88.1	164.3	-177.4	0	0	0	0	105.8	V50 R54	V50-V52 HydrophobicContact CG1-CG2 4.15Å; V50-V52 PolarHBondContact O-N 3.2Å; V52-R54 VanDerWaalsContact C-N 3.31Å; V52-R54 PolarHBondContact O-N 3.08Å
53	K	40	Very low	56.6	Low	184 Å²	184	113.1 Å²	113.1	80%	0.8	59%	0.587	S	S	*	*			trans	-56	101	169.3	-78.8	-175.4	174.7	-179.5	0	106.1	S51 R55	S51-K53 PolarHBondContact O-N 3.47Å; K53-R55 PolarHBondContact O-N 3.24Å
54	R	48.1	Very low	59.8	Low	202 Å²	202	111 Å²	111	76%	0.762	58%	0.575	S	S	*	*			trans	-52.6	111	174.7	-72.8	-176.8	172.4	-166.5	-2.6	106.7	V52 S56	V52-R54 VanDerWaalsContact C-N 3.31Å; V52-R54 PolarHBondContact O-N 3.08Å; R54-S56 PolarHBondContact O-N 3.5Å
55	R	58.3	Low	63	Low	207 Å²	207	107.6 Å²	107.6	78%	0.781	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-67.8	124.3	176.1	-71.2	-175.2	175.7	-177.7	-1.5	107.3	K53	K53-R55 PolarHBondContact O-N 3.24Å
56	S	77	Confident	66.2	Low	102 Å²	102	105.6 Å²	105.6	71%	0.713	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-62.7	143.8	164.9	47.8	0	0	0	0	108.8	R54	R54-S56 PolarHBondContact O-N 3.5Å
57	W	91.5	Very high	69.3	Low	68 Å²	68	110.4 Å²	110.4	26%	0.258	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-56.6	145.3	174.6	-175.9	96.7	0	0	0	110.7	W59 Y62 V316 L362 P364	W57-W59 HydrophobicContact CH2-CB 4.35Å; W57-W59 AromaticContact CH2-CD1 3.96Å; W57-W59 AromaticContact CH2-CD2 3.48Å; W57-W59 HydrophobicContact CH2-CD2 3.48Å; W57-W59 VanDerWaalsContact CH2-CD2 3.48Å; W57-W59 AromaticContact CH2-CE2 3.7Å; W57-W59 AromaticContact CH2-CE3 3.9Å; W57-W59 HydrophobicContact CH2-CE3 3.9Å; W57-W59 AromaticContact CH2-CG 3.67Å; W57-W59 HydrophobicContact CH2-CG 3.67Å; W57-W59 HydrophobicContact CH2-CZ2 4.26Å; W57-W59 HydrophobicContact CH2-CZ3 4.45Å; W57-W59 AromaticContact CH2-NE1 3.98Å; W57-W59 HydrophobicContact CZ2-CD2 4.43Å; W57-W59 HydrophobicContact CZ2-CE3 4.44Å; W57-W59 AromaticContact CZ3-CD1 3.87Å; W57-W59 HydrophobicContact CZ3-CD2 4.18Å; W57-W59 AromaticContact CZ3-CG 3.92Å; W57-W59 HydrophobicContact CZ3-CG 3.92Å; W57-Y62 AromaticContact CZ2-CD1 3.97Å; W57-Y62 HydrophobicContact CZ2-CD1 3.97Å; W57-Y62 HydrophobicContact CZ2-CD2 4.45Å; W57-Y62 AromaticContact CZ2-CG 3.76Å; W57-Y62 HydrophobicContact CZ2-CG 3.76Å; W57-V316 HydrophobicContact CH2-CG2 3.42Å; W57-V316 VanDerWaalsContact CH2-CG2 3.42Å; W57-V316 HydrophobicContact CZ2-CG1 4.31Å; W57-V316 HydrophobicContact CZ2-CG2 3.45Å; W57-V316 VanDerWaalsContact CZ2-CG2 3.45Å; W57-V316 HydrophobicContact CZ3-CG2 4.27Å; W57-L362 HydrophobicContact CE3-CD2 4.47Å; W57-L362 HydrophobicContact CH2-CD2 3.94Å; W57-L362 HydrophobicContact CZ3-CD2 3.55Å; W57-P364 HydrophobicContact CB-CB 4.25Å; W57-P364 HydrophobicContact CD2-CB 3.74Å; W57-P364 HydrophobicContact CE3-CB 4.49Å; W57-P364 HydrophobicContact CG-CB 3.58Å; W57-P364 HydrophobicContact CG-CG 4.37Å
58	S	94.4	Very high	72.6	Confident	45 Å²	45	107 Å²	107	32%	0.315	53%	0.53	S	S	.	.			trans	-149.7	144.9	175.9	68.9	0	0	0	0	112.1	Q60 Q61 Y62	S58-Q60 VanDerWaalsContact C-N 3.34Å; S58-Q60 PolarHBondContact O-N 3.47Å; S58-Q61 PolarHBondContact O-N 2.97Å; S58-Q61 WeakPolarHBondContact OG-CB 3.49Å; S58-Q61 PolarHBondContact OG-N 3.17Å; S58-Y62 PolarHBondContact O-N 3.18Å
59	W	96.1	Very high	75.9	Confident	19 Å²	19	108.5 Å²	108.5	7%	0.072	53%	0.529	C	S	.	.	H	α-helix	trans	-55.3	-45.1	176.2	-86.9	118.6	0	0	0	113.2	W57 Q61 Y62 L63 R302 L303 E304 V316 V352 L362	W57-W59 HydrophobicContact CH2-CB 4.35Å; W57-W59 AromaticContact CH2-CD1 3.96Å; W57-W59 AromaticContact CH2-CD2 3.48Å; W57-W59 HydrophobicContact CH2-CD2 3.48Å; W57-W59 VanDerWaalsContact CH2-CD2 3.48Å; W57-W59 AromaticContact CH2-CE2 3.7Å; W57-W59 AromaticContact CH2-CE3 3.9Å; W57-W59 HydrophobicContact CH2-CE3 3.9Å; W57-W59 AromaticContact CH2-CG 3.67Å; W57-W59 HydrophobicContact CH2-CG 3.67Å; W57-W59 HydrophobicContact CH2-CZ2 4.26Å; W57-W59 HydrophobicContact CH2-CZ3 4.45Å; W57-W59 AromaticContact CH2-NE1 3.98Å; W57-W59 HydrophobicContact CZ2-CD2 4.43Å; W57-W59 HydrophobicContact CZ2-CE3 4.44Å; W57-W59 AromaticContact CZ3-CD1 3.87Å; W57-W59 HydrophobicContact CZ3-CD2 4.18Å; W57-W59 AromaticContact CZ3-CG 3.92Å; W57-W59 HydrophobicContact CZ3-CG 3.92Å; W59-Q61 VanDerWaalsContact C-N 3.32Å; W59-Q61 PolarHBondContact O-N 3.28Å; W59-Y62 HydrophobicContact CE3-CD1 4.2Å; W59-Y62 HydrophobicContact CZ3-CD1 4.01Å; W59-Y62 HydrophobicContact CZ3-CE1 4.47Å; W59-Y62 PolarHBondContact O-N 2.92Å; W59-L63 HydrophobicContact CE3-CD1 4.44Å; W59-L63 HydrophobicContact CE3-CD2 4.27Å; W59-L63 HydrophobicContact CE3-CG 4.16Å; W59-L63 HydrophobicContact CZ3-CD2 4.36Å; W59-L63 WeakPolarHBondContact O-CB 3.45Å; W59-L63 VanDerWaalsContact O-CG 3.28Å; W59-L63 WeakPolarHBondContact O-CG 3.49Å; W59-L63 PolarHBondContact O-N 3.43Å; W59-R302 HydrophobicContact CH2-CB 4.32Å; W59-R302 HydrophobicContact CZ3-CB 3.91Å; W59-L303 WeakPolarHBondContact CH2-O 3.23Å; W59-E304 HydrophobicContact CZ2-CG 3.55Å; W59-E304 PolarHBondContact NE1-OE1 3.47Å; W59-V316 HydrophobicContact CH2-CB 4.11Å; W59-V316 HydrophobicContact CH2-CG1 3.6Å; W59-V316 HydrophobicContact CH2-CG2 4.1Å; W59-V316 HydrophobicContact CZ2-CB 4.37Å; W59-V316 HydrophobicContact CZ2-CG1 4.31Å; W59-V316 HydrophobicContact CZ2-CG2 3.96Å; W59-V316 HydrophobicContact CZ3-CG1 3.92Å; W59-V352 HydrophobicContact CB-CG1 3.86Å; W59-V352 HydrophobicContact CD2-CB 4.32Å; W59-V352 HydrophobicContact CD2-CG1 3.55Å; W59-V352 HydrophobicContact CD2-CG2 4.01Å; W59-V352 HydrophobicContact CE3-CG1 4.04Å; W59-V352 HydrophobicContact CE3-CG2 3.96Å; W59-V352 HydrophobicContact CG-CG1 3.48Å; W59-V352 VanDerWaalsContact CG-CG1 3.48Å; W59-V352 HydrophobicContact CH2-CG2 3.86Å; W59-V352 HydrophobicContact CZ2-CG2 3.93Å; W59-V352 HydrophobicContact CZ3-CG2 3.89Å; W59-L362 HydrophobicContact CZ2-CD2 4.16Å
60	Q	95.6	Very high	79.1	Confident	150 Å²	150	102.2 Å²	102.2	70%	0.701	51%	0.506	S	S	*	.	H	α-helix	trans	-61.7	-40.4	-178.7	-171.3	-179.3	25.5	0	0	112.1	S58 N64	S58-Q60 VanDerWaalsContact C-N 3.34Å; S58-Q60 PolarHBondContact O-N 3.47Å; Q60-N64 WeakPolarHBondContact O-CB 3.43Å; Q60-N64 PolarHBondContact O-N 2.8Å; Q60-N64 PolarHBondContact O-ND2 3.23Å; Q60-N64 VanDerWaalsContact O-ND2 3.1Å
61	Q	94.1	Very high	82.3	Confident	63 Å²	63	96.8 Å²	96.8	29%	0.294	47%	0.473	S	S	.	.	H	α-helix	trans	-67.1	-46.7	174.4	-179.2	176.7	-18.1	0	0	110.7	S58 W59 N64 E65	S58-Q61 PolarHBondContact O-N 2.97Å; S58-Q61 WeakPolarHBondContact OG-CB 3.49Å; S58-Q61 PolarHBondContact OG-N 3.17Å; W59-Q61 VanDerWaalsContact C-N 3.32Å; W59-Q61 PolarHBondContact O-N 3.28Å; Q61-N64 PolarHBondContact O-N 3.06Å; Q61-E65 HydrophobicContact CG-CG 4.31Å; Q61-E65 VanDerWaalsContact CG-OE1 3.23Å; Q61-E65 WeakPolarHBondContact CG-OE1 3.48Å; Q61-E65 PolarHBondContact NE2-OE1 2.95Å; Q61-E65 WeakPolarHBondContact O-CB 3.5Å; Q61-E65 WeakPolarHBondContact O-CG 3.32Å; Q61-E65 PolarHBondContact O-N 3.09Å
62	Y	95.9	Very high	85.5	Confident	20 Å²	20	94.7 Å²	94.7	8%	0.078	46%	0.457	C	S	.	.	H	α-helix	trans	-61.6	-47.7	-177.2	-175.2	-113.6	0	0	0	112.9	W57 S58 W59 N64 E65 Q66 R302 V316 D332 P365	W57-Y62 AromaticContact CZ2-CD1 3.97Å; W57-Y62 HydrophobicContact CZ2-CD1 3.97Å; W57-Y62 HydrophobicContact CZ2-CD2 4.45Å; W57-Y62 AromaticContact CZ2-CG 3.76Å; W57-Y62 HydrophobicContact CZ2-CG 3.76Å; S58-Y62 PolarHBondContact O-N 3.18Å; W59-Y62 HydrophobicContact CE3-CD1 4.2Å; W59-Y62 HydrophobicContact CZ3-CD1 4.01Å; W59-Y62 HydrophobicContact CZ3-CE1 4.47Å; W59-Y62 PolarHBondContact O-N 2.92Å; Y62-N64 VanDerWaalsContact C-N 3.33Å; Y62-N64 PolarHBondContact O-N 3.23Å; Y62-E65 PolarHBondContact O-N 3.42Å; Y62-Q66 HydrophobicContact CD1-CG 4.42Å; Y62-Q66 HydrophobicContact CD2-CG 3.95Å; Y62-Q66 HydrophobicContact CE1-CG 4.01Å; Y62-Q66 HydrophobicContact CE2-CG 3.49Å; Y62-Q66 VanDerWaalsContact CE2-CG 3.49Å; Y62-Q66 HydrophobicContact CG-CG 4.39Å; Y62-Q66 WeakPolarHBondContact O-CB 3.45Å; Y62-Q66 WeakPolarHBondContact O-CG 3.49Å; Y62-Q66 PolarHBondContact O-N 3.41Å; Y62-R302 PolarHBondContact OH-NH1 3.48Å; Y62-V316 HydrophobicContact CD1-CG1 4.01Å; Y62-V316 HydrophobicContact CE1-CG1 3.55Å; Y62-D332 PolarHBondContact OH-OD2 3.2Å; Y62-D332 VanDerWaalsContact OH-OD2 3.04Å; Y62-P365 HydrophobicContact CE2-CG 3.87Å
63	L	96.8	Very high	88.3	Confident	28 Å²	28	93.6 Å²	93.6	15%	0.147	45%	0.452	C	S	.	.	H	α-helix	trans	-60.7	-41.6	177.8	-67	171.2	0	0	0	111.7	W59 K67 A68 A70 R302	W59-L63 HydrophobicContact CE3-CD1 4.44Å; W59-L63 HydrophobicContact CE3-CD2 4.27Å; W59-L63 HydrophobicContact CE3-CG 4.16Å; W59-L63 HydrophobicContact CZ3-CD2 4.36Å; W59-L63 WeakPolarHBondContact O-CB 3.45Å; W59-L63 VanDerWaalsContact O-CG 3.28Å; W59-L63 WeakPolarHBondContact O-CG 3.49Å; W59-L63 PolarHBondContact O-N 3.43Å; L63-K67 WeakPolarHBondContact O-CA 3.44Å; L63-K67 PolarHBondContact O-N 3.08Å; L63-A68 HydrophobicContact CD2-CB 4.33Å; L63-A68 PolarHBondContact O-N 3.19Å; L63-A70 HydrophobicContact CD1-CB 4.15Å; L63-R302 HydrophobicContact CD2-CB 3.9Å; L63-R302 HydrophobicContact CD2-CG 3.75Å
64	N	96.5	Very high	91	Very high	119 Å²	119	90 Å²	90	64%	0.636	45%	0.45	S	S	*	.	H	α-helix	trans	-65.8	-41.4	175.9	-72.9	-19.2	0	0	0	112.7	Q60 Q61 Y62 K67	Q60-N64 WeakPolarHBondContact O-CB 3.43Å; Q60-N64 PolarHBondContact O-N 2.8Å; Q60-N64 PolarHBondContact O-ND2 3.23Å; Q60-N64 VanDerWaalsContact O-ND2 3.1Å; Q61-N64 PolarHBondContact O-N 3.06Å; Y62-N64 VanDerWaalsContact C-N 3.33Å; Y62-N64 PolarHBondContact O-N 3.23Å; N64-K67 PolarHBondContact O-N 3.39Å
65	E	94.9	Very high	93.3	Very high	118 Å²	118	82.4 Å²	82.4	55%	0.551	43%	0.425	S	S	*	.	H	α-helix	trans	-67.9	-40.9	178.6	-75.7	172.7	177.1	0	0	112.1	Q61 Y62 K67	Q61-E65 HydrophobicContact CG-CG 4.31Å; Q61-E65 VanDerWaalsContact CG-OE1 3.23Å; Q61-E65 WeakPolarHBondContact CG-OE1 3.48Å; Q61-E65 PolarHBondContact NE2-OE1 2.95Å; Q61-E65 WeakPolarHBondContact O-CB 3.5Å; Q61-E65 WeakPolarHBondContact O-CG 3.32Å; Q61-E65 PolarHBondContact O-N 3.09Å; Y62-E65 PolarHBondContact O-N 3.42Å; E65-K67 VanDerWaalsContact C-N 3.33Å
66	Q	95.4	Very high	95.1	Very high	96 Å²	96	73.4 Å²	73.4	45%	0.449	39%	0.391	S	S	.	.	H	α-helix	trans	-81.1	-10.6	177.2	-61	-52.1	-60.3	0	0	113.7	Y62 A68	Y62-Q66 HydrophobicContact CD1-CG 4.42Å; Y62-Q66 HydrophobicContact CD2-CG 3.95Å; Y62-Q66 HydrophobicContact CE1-CG 4.01Å; Y62-Q66 HydrophobicContact CE2-CG 3.49Å; Y62-Q66 VanDerWaalsContact CE2-CG 3.49Å; Y62-Q66 HydrophobicContact CG-CG 4.39Å; Y62-Q66 WeakPolarHBondContact O-CB 3.45Å; Y62-Q66 WeakPolarHBondContact O-CG 3.49Å; Y62-Q66 PolarHBondContact O-N 3.41Å; Q66-A68 HydrophobicContact CB-CB 3.87Å; Q66-A68 PolarHBondContact O-N 2.9Å
67	K	96.4	Very high	95.9	Very high	196 Å²	196	70.9 Å²	70.9	85%	0.852	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	42.1	-167.7	-54.3	178.3	-176.3	175.9	0	112	L63 N64 E65	L63-K67 WeakPolarHBondContact O-CA 3.44Å; L63-K67 PolarHBondContact O-N 3.08Å; N64-K67 PolarHBondContact O-N 3.39Å; E65-K67 VanDerWaalsContact C-N 3.33Å
68	A	96.1	Very high	95.8	Very high	18 Å²	18	75.8 Å²	75.8	15%	0.149	40%	0.397	C	S	.	.			trans	-111.6	156.9	-173.6	0	0	0	0	0	111.5	L63 Q66 R302	L63-A68 HydrophobicContact CD2-CB 4.33Å; L63-A68 PolarHBondContact O-N 3.19Å; Q66-A68 HydrophobicContact CB-CB 3.87Å; Q66-A68 PolarHBondContact O-N 2.9Å; A68-R302 HydrophobicContact CB-CG 3.88Å
69	E	97.1	Very high	95.5	Very high	148 Å²	148	75.6 Å²	75.6	69%	0.692	39%	0.393	S	S	*	.			trans	-109.2	143.7	-179.9	-61.4	-169.6	168.1	0	0	111.2	R302	E69-R302 PolarHBondContact O-N 3.47Å
70	A	98.3	Very high	95.5	Very high	35 Å²	35	74.7 Å²	74.7	29%	0.289	39%	0.39	S	S	.	.	B	Isolated β-bridge	trans	-77.7	142.2	172.6	0	0	0	0	0	110.2	L63 P72 R302 V352	L63-A70 HydrophobicContact CD1-CB 4.15Å; A70-P72 WeakPolarHBondContact O-CD 3.35Å; A70-R302 WeakPolarHBondContact CA-O 3.44Å; A70-V352 HydrophobicContact CB-CB 3.88Å; A70-V352 HydrophobicContact CB-CG1 4.33Å; A70-V352 HydrophobicContact CB-CG2 3.62Å
71	A	98.2	Very high	95.2	Very high	1 Å²	1	69.3 Å²	69.3	1%	0.008	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-53.8	124	168.6	0	0	0	0	0	109.9	F76 F297 H301 R302 L303	A71-F76 HydrophobicContact CB-CE2 3.6Å; A71-F76 HydrophobicContact CB-CZ 3.72Å; A71-F297 HydrophobicContact CB-CD1 4.18Å; A71-F297 HydrophobicContact CB-CE1 3.85Å; A71-H301 HydrophobicContact CB-CB 4.02Å; A71-R302 PolarHBondContact N-O 3.16Å; A71-L303 HydrophobicContact CB-CB 4.38Å
72	P	97.4	Very high	94.5	Very high	53 Å²	53	67.4 Å²	67.4	34%	0.344	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-56.8	134	178.6	-28.1	34.5	0	0	0	111.9	A70 S74 L75	A70-P72 WeakPolarHBondContact O-CD 3.35Å; P72-S74 PolarHBondContact O-N 3.42Å; P72-L75 HydrophobicContact CB-CG 4.29Å; P72-L75 HydrophobicContact CG-CD1 4.42Å; P72-L75 WeakPolarHBondContact O-CB 3.46Å; P72-L75 PolarHBondContact O-N 3.41Å
73	P	95.9	Very high	93.5	Very high	93 Å²	93	67.7 Å²	67.7	60%	0.604	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-56.6	-22.7	-180	-29.1	36.4	0	0	0	114.8	L75 F76	P73-L75 PolarHBondContact O-N 3.02Å; P73-F76 PolarHBondContact O-N 2.94Å
74	S	96.1	Very high	92.2	Very high	109 Å²	109	72.4 Å²	72.4	76%	0.762	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-70.5	-8.7	175.3	54.6	0	0	0	0	114.8	P72	P72-S74 PolarHBondContact O-N 3.42Å
75	L	97.1	Very high	90.8	Very high	43 Å²	43	75.9 Å²	75.9	23%	0.225	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-85.5	-13.6	173.3	-59.6	-174.9	0	0	0	113.2	P72 P73 G296 F297	P72-L75 HydrophobicContact CB-CG 4.29Å; P72-L75 HydrophobicContact CG-CD1 4.42Å; P72-L75 WeakPolarHBondContact O-CB 3.46Å; P72-L75 PolarHBondContact O-N 3.41Å; P73-L75 PolarHBondContact O-N 3.02Å; L75-G296 WeakPolarHBondContact CD1-O 3.34Å; L75-F297 HydrophobicContact CB-CD2 4.39Å; L75-F297 HydrophobicContact CB-CE1 4.15Å; L75-F297 HydrophobicContact CB-CE2 3.98Å; L75-F297 HydrophobicContact CB-CZ 3.85Å; L75-F297 HydrophobicContact CD1-CD1 3.95Å; L75-F297 HydrophobicContact CD1-CE1 4.26Å; L75-F297 HydrophobicContact CD1-CG 4.11Å
76	F	97.1	Very high	89.6	Confident	17 Å²	17	81.8 Å²	81.8	8%	0.075	42%	0.423	C	S	.	.	S	Bend	trans	-97.9	147.2	-176.3	-63.4	-94	0	0	0	110.7	A71 P73 Q80 F297 L303 P351	A71-F76 HydrophobicContact CB-CE2 3.6Å; A71-F76 HydrophobicContact CB-CZ 3.72Å; P73-F76 PolarHBondContact O-N 2.94Å; F76-Q80 VanDerWaalsContact CA-OE1 3.26Å; F76-Q80 HydrophobicContact CB-CB 3.93Å; F76-Q80 HydrophobicContact CD1-CB 4.05Å; F76-Q80 HydrophobicContact CG-CB 4.49Å; F76-F297 HydrophobicContact CD1-CZ 4.04Å; F76-F297 HydrophobicContact CD2-CZ 4.36Å; F76-F297 HydrophobicContact CE1-CE1 4Å; F76-F297 AromaticContact CE1-CZ 3.79Å; F76-F297 HydrophobicContact CE1-CZ 3.79Å; F76-F297 HydrophobicContact CE2-CE1 4.01Å; F76-F297 HydrophobicContact CE2-CZ 4.14Å; F76-F297 HydrophobicContact CG-CZ 4.33Å; F76-F297 AromaticContact CZ-CE1 3.65Å; F76-F297 HydrophobicContact CZ-CE1 3.65Å; F76-F297 AromaticContact CZ-CZ 3.86Å; F76-F297 HydrophobicContact CZ-CZ 3.86Å; F76-L303 HydrophobicContact CZ-CB 4.07Å; F76-P351 HydrophobicContact CD2-CB 3.83Å; F76-P351 HydrophobicContact CD2-CG 4.39Å; F76-P351 HydrophobicContact CE2-CB 3.73Å; F76-P351 HydrophobicContact CG-CB 4.33Å; F76-P351 HydrophobicContact CG-CG 4.45Å; F76-P351 HydrophobicContact CZ-CB 4.16Å
77	T	93.6	Very high	88.4	Confident	50 Å²	50	79.6 Å²	79.6	31%	0.307	42%	0.416	S	S	.	.			trans	-71.4	173.9	174	71	0	0	0	0	111.7	D79 Q80 S81 D345	T77-D79 VanDerWaalsContact C-N 3.28Å; T77-D79 PolarHBondContact O-N 3.16Å; T77-D79 PolarHBondContact OG1-N 3.44Å; T77-Q80 PolarHBondContact O-N 3.43Å; T77-Q80 WeakPolarHBondContact OG1-CG 3.48Å; T77-Q80 PolarHBondContact OG1-N 3.03Å; T77-S81 PolarHBondContact O-N 3.25Å; T77-S81 PolarHBondContact O-OG 3.34Å; T77-D345 HydrophobicContact CG2-CB 3.73Å
78	Q	89.4	Confident	87.9	Confident	170 Å²	170	72.7 Å²	72.7	79%	0.794	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-36	173.8	-177	172.8	-25.5	0	0	112.2	S81	Q78-S81 WeakPolarHBondContact O-CB 3.3Å; Q78-S81 PolarHBondContact O-N 3.44Å
79	D	87.9	Confident	87.8	Confident	42 Å²	42	72.3 Å²	72.3	23%	0.225	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-24.5	-177	-52.8	-45.4	0	0	0	113	T77 R187	T77-D79 VanDerWaalsContact C-N 3.28Å; T77-D79 PolarHBondContact O-N 3.16Å; T77-D79 PolarHBondContact OG1-N 3.44Å; D79-R187 IonicContact OD1-CZ 3.58Å; D79-R187 IonicContact OD1-NH2 3.84Å; D79-R187 PolarHBondContact OD1-NH2 3.14Å; D79-R187 IonicContact OD2-CZ 2.78Å; D79-R187 IonicContact OD2-NH2 3.9Å; D79-R187 PolarHBondContact OD2-NH2 3.06Å
80	Q	95.3	Very high	87.8	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-22.5	171.9	-72.5	179.3	-39.3	0	0	112.7	F76 T77 S344 D345 H346 L349 H350 P351 W354	F76-Q80 VanDerWaalsContact CA-OE1 3.26Å; F76-Q80 HydrophobicContact CB-CB 3.93Å; F76-Q80 HydrophobicContact CD1-CB 4.05Å; F76-Q80 HydrophobicContact CG-CB 4.49Å; T77-Q80 PolarHBondContact O-N 3.43Å; T77-Q80 WeakPolarHBondContact OG1-CG 3.48Å; T77-Q80 PolarHBondContact OG1-N 3.03Å; Q80-S344 PolarHBondContact NE2-O 2.84Å; Q80-D345 VanDerWaalsContact NE2-CA 3.28Å; Q80-D345 PolarHBondContact NE2-O 3.47Å; Q80-H346 WeakPolarHBondContact CG-O 3.23Å; Q80-H346 PolarHBondContact NE2-O 2.91Å; Q80-L349 WeakPolarHBondContact CB-O 3.35Å; Q80-L349 WeakPolarHBondContact CG-O 3.33Å; Q80-H350 PolarHBondContact O-ND1 3.36Å; Q80-P351 WeakPolarHBondContact O-CD 3.4Å; Q80-W354 PolarHBondContact O-NE1 3.29Å
81	S	88.9	Confident	87.7	Confident	37 Å²	37	74.8 Å²	74.8	26%	0.259	40%	0.4	S	S	.	.	S	Bend	trans	-72.1	166.3	179.3	-69.7	0	0	0	0	111.9	T77 Q78 P83 W354	T77-S81 PolarHBondContact O-N 3.25Å; T77-S81 PolarHBondContact O-OG 3.34Å; Q78-S81 WeakPolarHBondContact O-CB 3.3Å; Q78-S81 PolarHBondContact O-N 3.44Å; S81-P83 WeakPolarHBondContact O-CD 3.49Å; S81-W354 PolarHBondContact O-NE1 3.19Å; S81-W354 VanDerWaalsContact O-NE1 3.11Å
82	C	79.9	Confident	87.7	Confident	22 Å²	22	76.1 Å²	76.1	15%	0.149	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-68.7	127.2	174.5	171.1	0	0	0	0	109.7	T358	C82-T358 HydrophobicContact CB-CG2 4.35Å
83	P	75.7	Confident	87.7	Confident	27 Å²	27	74.8 Å²	74.8	18%	0.175	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-54.3	140.2	179.9	-26.8	33.6	0	0	0	112.7	S81 R85 C117 D137	S81-P83 WeakPolarHBondContact O-CD 3.49Å; P83-R85 VanDerWaalsContact C-N 3.31Å; P83-C117 HydrophobicContact CG-CB 4.23Å; P83-D137 WeakPolarHBondContact CG-OD2 3.43Å
84	S	68.2	Low	87.9	Confident	126 Å²	126	70.9 Å²	70.9	88%	0.881	38%	0.377	S	S	*	.	S	Bend	trans	-74.5	-22.8	179.8	61.7	0	0	0	0	113.2
85	R	68.9	Low	88	Confident	192 Å²	192	65.7 Å²	65.7	73%	0.725	34%	0.341	S	S	*	.	S	Bend	trans	-105.4	141.2	177.3	-64.4	-176.8	177.5	-166.6	0.8	109.9	P83 T87	P83-R85 VanDerWaalsContact C-N 3.31Å; R85-T87 PolarHBondContact O-N 3.43Å
86	R	68.1	Low	88	Confident	243 Å²	243	63.7 Å²	63.7	92%	0.917	33%	0.331	S	S	*	.			trans	-68.7	131.6	168.1	-71.1	-171.3	179.6	-166.3	-0.2	109.3
87	T	70.8	Confident	88.1	Confident	50 Å²	50	62.9 Å²	62.9	31%	0.307	33%	0.327	S	S	.	.			trans	-65.5	136.2	175.3	51.1	0	0	0	0	110.1	R85 G116 C117 A136	R85-T87 PolarHBondContact O-N 3.43Å; T87-G116 PolarHBondContact OG1-O 2.72Å; T87-C117 HydrophobicContact CG2-CB 3.53Å; T87-A136 HydrophobicContact CG2-CB 3.3Å
88	A	86.1	Confident	88.2	Confident	50 Å²	50	61 Å²	61	41%	0.413	32%	0.315	S	S	.	.			trans	-129.9	14.6	179	0	0	0	0	0	113	L183	A88-L183 HydrophobicContact CB-CD2 3.82Å
89	F	95.1	Very high	88.4	Confident	11 Å²	11	53.1 Å²	53.1	5%	0.048	28%	0.278	C	S	.	.			trans	-57.8	145.2	162.9	-71.4	-84.4	0	0	0	109.8	L95 V111 L119 A136 I141 A179 L183 F184	F89-L95 HydrophobicContact CD1-CD2 4.28Å; F89-L95 HydrophobicContact CE1-CD2 3.86Å; F89-V111 HydrophobicContact CD1-CG2 4.22Å; F89-L119 HydrophobicContact CB-CD1 4.22Å; F89-L119 HydrophobicContact CB-CD2 3.65Å; F89-L119 HydrophobicContact CD1-CD1 4.03Å; F89-L119 HydrophobicContact CD2-CD1 3.73Å; F89-L119 HydrophobicContact CD2-CD2 4.21Å; F89-L119 HydrophobicContact CE1-CD1 4.3Å; F89-L119 HydrophobicContact CE2-CD1 4.02Å; F89-L119 HydrophobicContact CG-CD1 3.73Å; F89-L119 HydrophobicContact CG-CD2 4.06Å; F89-L119 HydrophobicContact CZ-CD1 4.3Å; F89-A136 HydrophobicContact CD2-CB 3.9Å; F89-A136 HydrophobicContact CE2-CB 3.98Å; F89-A136 WeakPolarHBondContact CE2-O 3.41Å; F89-I141 HydrophobicContact CZ-CD1 4.02Å; F89-A179 HydrophobicContact CD1-CB 4.02Å; F89-A179 HydrophobicContact CE1-CB 3.75Å; F89-L183 HydrophobicContact CB-CD1 4.5Å; F89-L183 HydrophobicContact CD1-CD1 3.82Å; F89-L183 HydrophobicContact CD2-CB 4.27Å; F89-L183 HydrophobicContact CD2-CD1 4.12Å; F89-L183 HydrophobicContact CE1-CB 4.09Å; F89-L183 HydrophobicContact CE1-CD1 4.02Å; F89-L183 HydrophobicContact CE2-CB 3.69Å; F89-L183 HydrophobicContact CE2-CD1 4.31Å; F89-L183 HydrophobicContact CG-CD1 3.88Å; F89-L183 HydrophobicContact CZ-CB 3.59Å; F89-L183 HydrophobicContact CZ-CD1 4.26Å; F89-F184 HydrophobicContact CE1-CE1 4.12Å; F89-F184 HydrophobicContact CE1-CE2 4.26Å; F89-F184 AromaticContact CE1-CZ 3.84Å; F89-F184 HydrophobicContact CE1-CZ 3.84Å; F89-F184 HydrophobicContact CZ-CD1 4.29Å; F89-F184 HydrophobicContact CZ-CE1 4.05Å; F89-F184 HydrophobicContact CZ-CE2 4.37Å; F89-F184 HydrophobicContact CZ-CZ 4.1Å
90	K	95.8	Very high	88.6	Confident	137 Å²	137	54.5 Å²	54.5	60%	0.596	29%	0.29	S	S	*	.			trans	-133.1	149.2	-179.4	-59.5	-177.4	-174.9	176.4	0	109.4	G92 M93 V111	K90-G92 PolarHBondContact O-N 3.42Å; K90-M93 HydrophobicContact CB-CE 4.08Å; K90-M93 HydrophobicContact CB-CG 4.25Å; K90-M93 HydrophobicContact CB-SD 4.14Å; K90-M93 HydrophobicContact CD-CE 4.15Å; K90-M93 HydrophobicContact CG-CE 4Å; K90-M93 HydrophobicContact CG-SD 4.49Å; K90-M93 PolarHBondContact N-SD 3.37Å; K90-M93 VanDerWaalsContact O-CB 3.3Å; K90-M93 WeakPolarHBondContact O-CB 3.36Å; K90-M93 WeakPolarHBondContact O-CG 3.25Å; K90-M93 PolarHBondContact O-N 3.27Å; K90-V111 WeakPolarHBondContact O-CB 3.45Å
91	V	97.1	Very high	88.3	Confident	97 Å²	97	58.4 Å²	58.4	59%	0.588	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	134.2	172.8	178.9	0	0	0	0	109.9	V111 A112 V114	V91-V111 CarbonylContact C-O 3.53Å; V91-V111 VanDerWaalsContact CA-O 3.3Å; V91-V111 WeakPolarHBondContact CA-O 3.34Å; V91-A112 WeakPolarHBondContact CG1-O 3.43Å; V91-V114 HydrophobicContact CG2-CG2 4.38Å
92	G	97.3	Very high	88.5	Confident	30 Å²	30	57.1 Å²	57.1	31%	0.309	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.6	-2.6	-175.3	0	0	0	0	0	115.4	K90 V111	K90-G92 PolarHBondContact O-N 3.42Å; G92-V111 PolarHBondContact N-O 3.41Å
93	M	98.4	Very high	89.2	Confident	24 Å²	24	57 Å²	57	12%	0.118	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	138.2	167.9	-74.5	-178.3	169.1	0	0	110.8	K90 V111 L177 A179 L183	K90-M93 HydrophobicContact CB-CE 4.08Å; K90-M93 HydrophobicContact CB-CG 4.25Å; K90-M93 HydrophobicContact CB-SD 4.14Å; K90-M93 HydrophobicContact CD-CE 4.15Å; K90-M93 HydrophobicContact CG-CE 4Å; K90-M93 HydrophobicContact CG-SD 4.49Å; K90-M93 PolarHBondContact N-SD 3.37Å; K90-M93 VanDerWaalsContact O-CB 3.3Å; K90-M93 WeakPolarHBondContact O-CB 3.36Å; K90-M93 WeakPolarHBondContact O-CG 3.25Å; K90-M93 PolarHBondContact O-N 3.27Å; M93-V111 HydrophobicContact CB-CG2 4.21Å; M93-V111 PolarHBondContact O-N 3.32Å; M93-L177 CarbonylContact C-O 3.59Å; M93-L177 VanDerWaalsContact CA-O 3.3Å; M93-L177 WeakPolarHBondContact CA-O 3.44Å; M93-A179 HydrophobicContact CB-CB 4.2Å; M93-A179 HydrophobicContact SD-CB 4.3Å; M93-L183 HydrophobicContact SD-CD1 4.22Å
94	K	98.6	Very high	90	Very high	12 Å²	12	57.4 Å²	57.4	5%	0.052	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	146	176.5	-62.7	-170.8	176.9	-69.4	0	112.5	L109 T110 D124 W167 Y170 L171 S174 S176 L177 A178 A179	K94-L109 CarbonylContact C-O 3.55Å; K94-L109 VanDerWaalsContact CA-O 3.28Å; K94-L109 WeakPolarHBondContact CA-O 3.46Å; K94-T110 PolarHBondContact NZ-OG1 3.35Å; K94-D124 IonicContact NZ-OD1 3.47Å; K94-D124 IonicContact NZ-OD2 2.64Å; K94-D124 PolarHBondContact NZ-OD2 2.99Å; K94-W167 HydrophobicContact CB-CH2 4.25Å; K94-W167 HydrophobicContact CB-CZ3 3.87Å; K94-W167 HydrophobicContact CD-CZ3 4.45Å; K94-Y170 HydrophobicContact CD-CD1 4.15Å; K94-Y170 HydrophobicContact CD-CE1 3.72Å; K94-L171 HydrophobicContact CB-CD2 4.27Å; K94-L171 HydrophobicContact CD-CD2 4.16Å; K94-S174 WeakPolarHBondContact CE-OG 3.2Å; K94-S176 VanDerWaalsContact CE-CB 3.48Å; K94-S176 WeakPolarHBondContact CE-OG 3.34Å; K94-L177 PolarHBondContact N-O 3.29Å; K94-A178 CarbonylContact O-C 3.54Å; K94-A178 WeakPolarHBondContact O-CA 3.35Å; K94-A179 PolarHBondContact O-N 3.37Å
95	L	98.5	Very high	91.3	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	173.9	-176.8	59.2	86.1	0	0	0	111.1	F89 L109 V111 L121 I141 R142 A179 F184	F89-L95 HydrophobicContact CD1-CD2 4.28Å; F89-L95 HydrophobicContact CE1-CD2 3.86Å; L95-L109 HydrophobicContact CD1-CB 3.8Å; L95-L109 HydrophobicContact CD1-CD1 3.88Å; L95-L109 HydrophobicContact CD1-CG 4.3Å; L95-L109 HydrophobicContact CG-CB 4.36Å; L95-L109 PolarHBondContact N-O 3.15Å; L95-L109 PolarHBondContact O-N 3.17Å; L95-V111 HydrophobicContact CD2-CG2 3.88Å; L95-L121 HydrophobicContact CD1-CD1 4.36Å; L95-L121 HydrophobicContact CD2-CD2 4.18Å; L95-I141 HydrophobicContact CD1-CB 4.17Å; L95-I141 HydrophobicContact CD1-CG2 4.03Å; L95-R142 WeakPolarHBondContact CB-O 3.47Å; L95-A179 HydrophobicContact CB-CB 4.26Å; L95-A179 HydrophobicContact CD2-CB 4.47Å; L95-F184 HydrophobicContact CB-CE1 4.21Å; L95-F184 HydrophobicContact CB-CZ 3.8Å; L95-F184 HydrophobicContact CD2-CE1 4.32Å; L95-F184 HydrophobicContact CD2-CZ 4.26Å
96	E	98.3	Very high	92.6	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	149.1	170.4	-67	174.6	-174.3	0	0	109.1	C107 I141 R142 G145 W146 C147 L154 W167	E96-C107 WeakPolarHBondContact CA-O 3.45Å; E96-I141 CarbonylContact O-C 3.56Å; E96-R142 HydrophobicContact CB-CB 4.07Å; E96-R142 PolarHBondContact N-O 2.94Å; E96-R142 PolarHBondContact O-N 2.94Å; E96-R142 VanDerWaalsContact O-O 3.1Å; E96-G145 WeakPolarHBondContact OE1-CA 3.45Å; E96-G145 PolarHBondContact OE1-N 3.46Å; E96-W146 PolarHBondContact OE2-N 3.48Å; E96-C147 WeakPolarHBondContact OE2-CB 3.45Å; E96-C147 PolarHBondContact OE2-N 3.38Å; E96-C147 PolarHBondContact OE2-SG 3.22Å; E96-L154 HydrophobicContact CG-CD1 3.92Å; E96-L154 HydrophobicContact CG-CD2 4.41Å; E96-W167 HydrophobicContact CG-CZ2 3.54Å; E96-W167 PolarHBondContact OE1-NE1 3.35Å
97	G	97.5	Very high	93.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.3	161.7	173.5	0	0	0	0	0	113.6	F106 C107 D140	G97-F106 WeakPolarHBondContact O-CA 3.37Å; G97-C107 PolarHBondContact N-O 3.38Å; G97-C107 VanDerWaalsContact N-O 3.08Å; G97-C107 PolarHBondContact O-N 3.47Å; G97-D140 VanDerWaalsContact CA-O 3.23Å; G97-D140 WeakPolarHBondContact CA-O 3.46Å
98	I	96.7	Very high	95.2	Very high	11 Å²	11	29 Å²	29	6%	0.056	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	140.2	-179.2	-65.3	159.6	0	0	0	110.2	P100 P103 M105 F106 D140 W237	I98-P100 WeakPolarHBondContact O-CD 3.38Å; I98-P103 HydrophobicContact CG2-CB 4.25Å; I98-P103 WeakPolarHBondContact CG2-O 3.46Å; I98-M105 WeakPolarHBondContact CA-O 3.35Å; I98-F106 HydrophobicContact CD1-CE1 4.08Å; I98-F106 HydrophobicContact CD1-CZ 4.01Å; I98-F106 HydrophobicContact CG1-CD1 4.06Å; I98-F106 HydrophobicContact CG1-CE1 3.51Å; I98-F106 HydrophobicContact CG1-CE2 4.41Å; I98-F106 HydrophobicContact CG1-CZ 3.68Å; I98-D140 HydrophobicContact CB-CB 4.36Å; I98-D140 HydrophobicContact CD1-CB 4.07Å; I98-D140 PolarHBondContact N-O 2.75Å; I98-W237 HydrophobicContact CD1-CD2 4.48Å; I98-W237 HydrophobicContact CD1-CZ2 4.34Å
99	D	94.5	Very high	95.8	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.016	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	119.4	168.2	-175.9	-13	0	0	0	110.6	L101 H102 M105 R420	D99-L101 PolarHBondContact O-N 3.44Å; D99-L101 VanDerWaalsContact O-N 3.13Å; D99-L101 PolarHBondContact OD1-N 3.2Å; D99-H102 HydrophobicContact CB-CB 4.36Å; D99-H102 CarbonylContact O-C 3.55Å; D99-H102 PolarHBondContact O-N 3.19Å; D99-H102 VanDerWaalsContact O-O 3.11Å; D99-H102 IonicContact OD2-CD2 3.4Å; D99-M105 PolarHBondContact N-O 3.25Å; D99-R420 IonicContact OD2-CZ 3.91Å; D99-R420 IonicContact OD2-NE 3.99Å; D99-R420 PolarHBondContact OD2-NE 3.49Å; D99-R420 IonicContact OD2-NH2 2.78Å; D99-R420 PolarHBondContact OD2-NH2 3.24Å
100	P	91.6	Very high	96	Very high	72 Å²	72	27.1 Å²	27.1	47%	0.468	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-17.3	178.7	-22.4	34.1	0	0	0	115.2	I98 F132	I98-P100 WeakPolarHBondContact O-CD 3.38Å; P100-F132 HydrophobicContact CG-CB 4.12Å; P100-F132 HydrophobicContact CG-CD1 3.96Å; P100-F132 HydrophobicContact CG-CD2 3.47Å; P100-F132 VanDerWaalsContact CG-CD2 3.47Å; P100-F132 HydrophobicContact CG-CE1 4.17Å; P100-F132 HydrophobicContact CG-CE2 3.69Å; P100-F132 HydrophobicContact CG-CG 3.6Å; P100-F132 HydrophobicContact CG-CZ 4.03Å
101	L	88.7	Confident	96.1	Very high	81 Å²	81	20.6 Å²	20.6	42%	0.424	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-17.8	175.2	-62.4	179.6	0	0	0	113.2	D99 Y130	D99-L101 PolarHBondContact O-N 3.44Å; D99-L101 VanDerWaalsContact O-N 3.13Å; D99-L101 PolarHBondContact OD1-N 3.2Å; L101-Y130 HydrophobicContact CD1-CD1 4.36Å
102	H	92.2	Very high	96.1	Very high	11 Å²	11	17.3 Å²	17.3	5%	0.051	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	81.4	179.6	-64	-98.6	0	0	0	109.4	D99 S104 M105 D232 T233 D419	D99-H102 HydrophobicContact CB-CB 4.36Å; D99-H102 CarbonylContact O-C 3.55Å; D99-H102 PolarHBondContact O-N 3.19Å; D99-H102 VanDerWaalsContact O-O 3.11Å; D99-H102 IonicContact OD2-CD2 3.4Å; H102-S104 PolarHBondContact O-N 3.34Å; H102-M105 HydrophobicContact CB-CB 4.39Å; H102-M105 HydrophobicContact CB-CE 3.24Å; H102-M105 HydrophobicContact CB-CG 4.27Å; H102-M105 PolarHBondContact O-N 3.2Å; H102-D232 IonicContact CE1-OD1 2.72Å; H102-D232 IonicContact CG-OD1 2.67Å; H102-D232 IonicContact ND1-OD1 3.12Å; H102-D232 PolarHBondContact ND1-OD1 3.13Å; H102-T233 VanDerWaalsContact CE1-CG2 3.5Å; H102-T233 WeakPolarHBondContact CE1-CG2 3.44Å; H102-D419 IonicContact CE1-OD1 2.87Å; H102-D419 IonicContact NE2-OD1 3.25Å; H102-D419 PolarHBondContact NE2-OD1 3.25Å
103	P	95.1	Very high	96	Very high	18 Å²	18	18.4 Å²	18.4	12%	0.117	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	-11.5	-168.8	-29.6	42.6	0	0	0	115.5	I98 M105 L224 D235 W237	I98-P103 HydrophobicContact CG2-CB 4.25Å; I98-P103 WeakPolarHBondContact CG2-O 3.46Å; P103-M105 VanDerWaalsContact C-N 3.32Å; P103-L224 HydrophobicContact CB-CD1 4.16Å; P103-D235 VanDerWaalsContact CG-O 3.26Å; P103-D235 WeakPolarHBondContact CG-O 3.48Å; P103-W237 PolarHBondContact O-NE1 3.44Å
104	S	93.6	Very high	95.9	Very high	36 Å²	36	19.5 Å²	19.5	25%	0.252	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	-23.5	168.1	62.5	0	0	0	0	114.7	H102 D232	H102-S104 PolarHBondContact O-N 3.34Å; S104-D232 VanDerWaalsContact OG-CG 3.27Å; S104-D232 PolarHBondContact OG-OD2 3.28Å
105	M	93.7	Very high	95.7	Very high	8 Å²	8	20.2 Å²	20.2	4%	0.039	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	120.4	-164.6	-72.8	-158.2	-71	0	0	114.1	I98 D99 H102 P103 H155 L421	I98-M105 WeakPolarHBondContact CA-O 3.35Å; D99-M105 PolarHBondContact N-O 3.25Å; H102-M105 HydrophobicContact CB-CB 4.39Å; H102-M105 HydrophobicContact CB-CE 3.24Å; H102-M105 HydrophobicContact CB-CG 4.27Å; H102-M105 PolarHBondContact O-N 3.2Å; P103-M105 VanDerWaalsContact C-N 3.32Å; M105-H155 VanDerWaalsContact SD-CE1 3.52Å; M105-L421 HydrophobicContact CE-CD1 3.34Å; M105-L421 HydrophobicContact CE-CG 4.17Å; M105-L421 HydrophobicContact SD-CD1 3.51Å; M105-L421 VanDerWaalsContact SD-CD1 3.51Å
106	F	96.4	Very high	95.4	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.009	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	130	162.8	-68.9	-86.2	0	0	0	110.9	G97 I98 W146 C147 H152 L154 H155 I219	G97-F106 WeakPolarHBondContact O-CA 3.37Å; I98-F106 HydrophobicContact CD1-CE1 4.08Å; I98-F106 HydrophobicContact CD1-CZ 4.01Å; I98-F106 HydrophobicContact CG1-CD1 4.06Å; I98-F106 HydrophobicContact CG1-CE1 3.51Å; I98-F106 HydrophobicContact CG1-CE2 4.41Å; I98-F106 HydrophobicContact CG1-CZ 3.68Å; F106-W146 HydrophobicContact CD1-CZ3 4.45Å; F106-W146 AromaticContact CE1-CZ3 3.93Å; F106-W146 HydrophobicContact CE1-CZ3 3.93Å; F106-W146 HydrophobicContact CE2-CZ3 4.5Å; F106-W146 AromaticContact CZ-CZ3 3.99Å; F106-W146 HydrophobicContact CZ-CZ3 3.99Å; F106-C147 WeakPolarHBondContact CB-SG 3.01Å; F106-C147 VanDerWaalsContact CG-SG 3.54Å; F106-H152 HydrophobicContact CD2-CB 4.04Å; F106-H152 HydrophobicContact CE2-CB 4.19Å; F106-L154 HydrophobicContact CB-CD1 4.29Å; F106-H155 WeakPolarHBondContact O-CB 3.29Å; F106-H155 PolarHBondContact O-N 3.01Å; F106-I219 HydrophobicContact CE1-CD1 4.44Å; F106-I219 HydrophobicContact CE2-CD1 4.06Å; F106-I219 HydrophobicContact CZ-CD1 3.44Å; F106-I219 VanDerWaalsContact CZ-CD1 3.44Å
107	C	97	Very high	95.1	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.014	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	157.5	179.3	-65.5	0	0	0	0	111.8	E96 G97 L109 I123 R420	E96-C107 WeakPolarHBondContact CA-O 3.45Å; G97-C107 PolarHBondContact N-O 3.38Å; G97-C107 VanDerWaalsContact N-O 3.08Å; G97-C107 PolarHBondContact O-N 3.47Å; C107-L109 HydrophobicContact CB-CD2 3.98Å; C107-I123 HydrophobicContact CB-CG2 4.11Å; C107-R420 PolarHBondContact SG-NH2 2.9Å
108	V	97.9	Very high	95	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.012	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	121.1	166.2	175.7	0	0	0	0	109.5	D124 L154 H155 P157 F165 W167 Y170	V108-D124 HydrophobicContact CG1-CB 4.15Å; V108-D124 WeakPolarHBondContact CG1-OD2 3.28Å; V108-D124 PolarHBondContact O-N 2.81Å; V108-D124 VanDerWaalsContact O-N 3.08Å; V108-L154 HydrophobicContact CG2-CD1 3.99Å; V108-L154 HydrophobicContact CG2-CD2 3.93Å; V108-L154 HydrophobicContact CG2-CG 4.1Å; V108-H155 PolarHBondContact N-O 3.38Å; V108-P157 HydrophobicContact CB-CG 3.94Å; V108-P157 HydrophobicContact CG1-CG 3.85Å; V108-P157 HydrophobicContact CG2-CG 4.29Å; V108-F165 HydrophobicContact CG1-CZ 4.44Å; V108-F165 HydrophobicContact CG2-CE1 3.9Å; V108-F165 HydrophobicContact CG2-CE2 4.27Å; V108-F165 HydrophobicContact CG2-CZ 3.63Å; V108-W167 HydrophobicContact CB-CH2 4.41Å; V108-W167 HydrophobicContact CG1-CH2 3.68Å; V108-W167 HydrophobicContact CG1-CZ2 4.25Å; V108-W167 HydrophobicContact CG1-CZ3 4.24Å; V108-W167 HydrophobicContact CG2-CH2 4.19Å; V108-W167 HydrophobicContact CG2-CZ2 3.89Å; V108-Y170 HydrophobicContact CG1-CD1 4.4Å; V108-Y170 HydrophobicContact CG1-CE1 3.88Å
109	L	98.4	Very high	95	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	147.9	-174.3	-52.6	178.5	0	0	0	112.1	K94 L95 C107 L121 H122 I123 F132	K94-L109 CarbonylContact C-O 3.55Å; K94-L109 VanDerWaalsContact CA-O 3.28Å; K94-L109 WeakPolarHBondContact CA-O 3.46Å; L95-L109 HydrophobicContact CD1-CB 3.8Å; L95-L109 HydrophobicContact CD1-CD1 3.88Å; L95-L109 HydrophobicContact CD1-CG 4.3Å; L95-L109 HydrophobicContact CG-CB 4.36Å; L95-L109 PolarHBondContact N-O 3.15Å; L95-L109 PolarHBondContact O-N 3.17Å; C107-L109 HydrophobicContact CB-CD2 3.98Å; L109-L121 HydrophobicContact CD1-CB 4.31Å; L109-L121 HydrophobicContact CD1-CD1 3.9Å; L109-H122 CarbonylContact C-O 3.54Å; L109-H122 WeakPolarHBondContact CA-O 3.27Å; L109-I123 HydrophobicContact CD2-CB 4.18Å; L109-I123 HydrophobicContact CD2-CG1 3.82Å; L109-I123 HydrophobicContact CD2-CG2 4.3Å; L109-F132 HydrophobicContact CD1-CE1 4.34Å; L109-F132 HydrophobicContact CD1-CZ 3.73Å; L109-F132 HydrophobicContact CD2-CE1 4.24Å; L109-F132 HydrophobicContact CD2-CZ 4.42Å
110	T	98.4	Very high	95.1	Very high	22 Å²	22	22.5 Å²	22.5	14%	0.135	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	136	169.1	-61.8	0	0	0	0	110.8	K94 A112 L121 H122 D124	K94-T110 PolarHBondContact NZ-OG1 3.35Å; T110-A112 PolarHBondContact O-N 3.22Å; T110-A112 VanDerWaalsContact O-N 3.08Å; T110-L121 WeakPolarHBondContact O-CA 3.35Å; T110-H122 PolarHBondContact N-O 3.1Å; T110-H122 PolarHBondContact O-N 2.95Å; T110-D124 WeakPolarHBondContact CB-OD1 3.45Å; T110-D124 PolarHBondContact N-OD1 2.98Å; T110-D124 PolarHBondContact OG1-OD1 3.1Å; T110-D124 PolarHBondContact OG1-OD2 3.36Å
111	V	98.3	Very high	95.4	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	104.6	167.9	-179.3	0	0	0	0	108.6	F89 K90 V91 G92 M93 L95 V114 L121	F89-V111 HydrophobicContact CD1-CG2 4.22Å; K90-V111 WeakPolarHBondContact O-CB 3.45Å; V91-V111 CarbonylContact C-O 3.53Å; V91-V111 VanDerWaalsContact CA-O 3.3Å; V91-V111 WeakPolarHBondContact CA-O 3.34Å; G92-V111 PolarHBondContact N-O 3.41Å; M93-V111 HydrophobicContact CB-CG2 4.21Å; M93-V111 PolarHBondContact O-N 3.32Å; L95-V111 HydrophobicContact CD2-CG2 3.88Å; V111-V114 HydrophobicContact CG1-CG2 3.58Å; V111-L121 HydrophobicContact CG2-CD2 3.93Å
112	A	97	Very high	95.8	Very high	28 Å²	28	17 Å²	17	23%	0.231	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-31.6	-179.5	0	0	0	0	0	112.4	V91 T110 R120 H122	V91-A112 WeakPolarHBondContact CG1-O 3.43Å; T110-A112 PolarHBondContact O-N 3.22Å; T110-A112 VanDerWaalsContact O-N 3.08Å; A112-R120 HydrophobicContact CB-CG 4.48Å; A112-R120 PolarHBondContact N-O 2.93Å; A112-H122 HydrophobicContact CB-CB 4.12Å
113	E	95.4	Very high	96	Very high	54 Å²	54	16.6 Å²	16.6	25%	0.252	10%	0.098	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	153.3	-179.6	-159.9	168.7	179.8	0	0	111.3	I115 L119 R120 W133	E113-I115 HydrophobicContact CG-CG1 4.26Å; E113-L119 WeakPolarHBondContact O-CA 3.35Å; E113-R120 HydrophobicContact CB-CB 3.74Å; E113-R120 PolarHBondContact N-O 2.75Å; E113-R120 PolarHBondContact O-N 3.24Å; E113-R120 IonicContact OE2-CZ 3.88Å; E113-R120 VanDerWaalsContact OE2-CZ 3.27Å; E113-R120 IonicContact OE2-NE 3.23Å; E113-R120 PolarHBondContact OE2-NE 3.04Å; E113-R120 IonicContact OE2-NH2 2.92Å; E113-R120 PolarHBondContact OE2-NH2 3.13Å; E113-W133 HydrophobicContact CB-CH2 4.15Å; E113-W133 HydrophobicContact CG-CH2 4.15Å
114	V	95.6	Very high	96.1	Very high	47 Å²	47	16 Å²	16	29%	0.285	9%	0.094	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	118.8	176	-176.9	0	0	0	0	108.3	V91 V111 R118 L119	V91-V114 HydrophobicContact CG2-CG2 4.38Å; V111-V114 HydrophobicContact CG1-CG2 3.58Å; V114-R118 WeakPolarHBondContact CA-O 3.45Å; V114-L119 HydrophobicContact CB-CD2 4.49Å; V114-L119 HydrophobicContact CG1-CD2 4.09Å; V114-L119 HydrophobicContact CG2-CD2 3.95Å
115	I	93.9	Very high	96.1	Very high	27 Å²	27	16.6 Å²	16.6	14%	0.138	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	111.3	176.2	-58.8	-178.3	0	0	0	108.3	E113 C117 R118 W133 M312 H360 P361	E113-I115 HydrophobicContact CG-CG1 4.26Å; I115-C117 PolarHBondContact O-N 3.3Å; I115-C117 VanDerWaalsContact O-N 3.1Å; I115-R118 PolarHBondContact N-O 2.9Å; I115-R118 PolarHBondContact O-N 3.14Å; I115-W133 HydrophobicContact CB-CH2 4.29Å; I115-W133 HydrophobicContact CB-CZ3 4.18Å; I115-W133 HydrophobicContact CD1-CH2 3.48Å; I115-W133 VanDerWaalsContact CD1-CH2 3.48Å; I115-W133 HydrophobicContact CD1-CZ2 4.22Å; I115-W133 HydrophobicContact CD1-CZ3 4.2Å; I115-W133 HydrophobicContact CG1-CH2 3.74Å; I115-W133 HydrophobicContact CG1-CZ3 4.11Å; I115-M312 HydrophobicContact CD1-CG 3.89Å; I115-M312 HydrophobicContact CD1-SD 4.48Å; I115-H360 PolarHBondContact O-CD2 3.41Å; I115-P361 HydrophobicContact CG2-CG 4.23Å
116	G	93	Very high	96	Very high	20 Å²	20	18.6 Å²	18.6	21%	0.206	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	-113.2	-172.3	0	0	0	0	0	111.8	T87 T358	T87-G116 PolarHBondContact OG1-O 2.72Å; G116-T358 CarbonylContact C-O 3.01Å; G116-T358 WeakPolarHBondContact CA-O 3.32Å
117	C	92.2	Very high	95.7	Very high	5 Å²	5	21.2 Å²	21.2	3%	0.034	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	9.4	173.3	74.1	0	0	0	0	114.8	P83 T87 I115 A136 W354 T358	P83-C117 HydrophobicContact CG-CB 4.23Å; T87-C117 HydrophobicContact CG2-CB 3.53Å; I115-C117 PolarHBondContact O-N 3.3Å; I115-C117 VanDerWaalsContact O-N 3.1Å; C117-A136 VanDerWaalsContact O-CB 3.22Å; C117-A136 WeakPolarHBondContact O-CB 3.09Å; C117-A136 PolarHBondContact O-N 2.96Å; C117-W354 WeakPolarHBondContact SG-CH2 3.38Å; C117-W354 WeakPolarHBondContact SG-CZ2 3.26Å; C117-T358 HydrophobicContact CB-CG2 4.32Å; C117-T358 WeakPolarHBondContact SG-CG2 3.48Å
118	R	95.6	Very high	95.4	Very high	1 Å²	1	25.7 Å²	25.7	0%	0.004	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	141.6	177.6	-58.7	-176.6	65.2	-118.1	6.5	110.9	V114 I115 W133 V134 N135 P311 D348 W354 H360	V114-R118 WeakPolarHBondContact CA-O 3.45Å; I115-R118 PolarHBondContact N-O 2.9Å; I115-R118 PolarHBondContact O-N 3.14Å; R118-W133 HydrophobicContact CB-CE3 3.94Å; R118-W133 HydrophobicContact CB-CZ3 4.22Å; R118-V134 CarbonylContact C-O 3.6Å; R118-V134 WeakPolarHBondContact CA-O 3.42Å; R118-N135 WeakPolarHBondContact CG-OD1 3.42Å; R118-P311 VanDerWaalsContact CZ-O 3.31Å; R118-P311 PolarHBondContact NH1-O 3.14Å; R118-P311 PolarHBondContact NH2-O 3.34Å; R118-D348 IonicContact NH2-OD1 3.34Å; R118-W354 HydrophobicContact CG-CH2 3.79Å; R118-W354 HydrophobicContact CG-CZ3 4.47Å; R118-H360 PolarHBondContact NH1-NE2 2.82Å
119	L	96.6	Very high	94.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	130.9	-177.8	-49	179.4	0	0	0	108.5	F89 E113 V114 L121 W133 V134 A136 I141	F89-L119 HydrophobicContact CB-CD1 4.22Å; F89-L119 HydrophobicContact CB-CD2 3.65Å; F89-L119 HydrophobicContact CD1-CD1 4.03Å; F89-L119 HydrophobicContact CD2-CD1 3.73Å; F89-L119 HydrophobicContact CD2-CD2 4.21Å; F89-L119 HydrophobicContact CE1-CD1 4.3Å; F89-L119 HydrophobicContact CE2-CD1 4.02Å; F89-L119 HydrophobicContact CG-CD1 3.73Å; F89-L119 HydrophobicContact CG-CD2 4.06Å; F89-L119 HydrophobicContact CZ-CD1 4.3Å; E113-L119 WeakPolarHBondContact O-CA 3.35Å; V114-L119 HydrophobicContact CB-CD2 4.49Å; V114-L119 HydrophobicContact CG1-CD2 4.09Å; V114-L119 HydrophobicContact CG2-CD2 3.95Å; L119-L121 HydrophobicContact CB-CD2 4.07Å; L119-L121 HydrophobicContact CB-CG 4.43Å; L119-W133 WeakPolarHBondContact O-CA 3.31Å; L119-V134 HydrophobicContact CB-CG2 4.2Å; L119-V134 PolarHBondContact N-O 3.47Å; L119-V134 PolarHBondContact O-N 3.38Å; L119-A136 HydrophobicContact CD1-CB 4.02Å; L119-A136 HydrophobicContact CD2-CB 4.26Å; L119-A136 HydrophobicContact CG-CB 4.04Å; L119-I141 HydrophobicContact CD1-CD1 4.24Å
120	R	97	Very high	94.4	Very high	37 Å²	37	28.6 Å²	28.6	14%	0.14	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	123.4	161.1	-173.6	162.9	51.8	89.2	-7.4	108.3	A112 E113 D131 F132 W133	A112-R120 HydrophobicContact CB-CG 4.48Å; A112-R120 PolarHBondContact N-O 2.93Å; E113-R120 HydrophobicContact CB-CB 3.74Å; E113-R120 PolarHBondContact N-O 2.75Å; E113-R120 PolarHBondContact O-N 3.24Å; E113-R120 IonicContact OE2-CZ 3.88Å; E113-R120 VanDerWaalsContact OE2-CZ 3.27Å; E113-R120 IonicContact OE2-NE 3.23Å; E113-R120 PolarHBondContact OE2-NE 3.04Å; E113-R120 IonicContact OE2-NH2 2.92Å; E113-R120 PolarHBondContact OE2-NH2 3.13Å; R120-D131 HydrophobicContact CG-CB 4Å; R120-D131 IonicContact CZ-OD2 2.66Å; R120-D131 IonicContact NH1-OD2 3.67Å; R120-D131 PolarHBondContact NH1-OD2 2.73Å; R120-F132 CarbonylContact C-O 3.59Å; R120-F132 WeakPolarHBondContact CA-O 3.3Å; R120-W133 HydrophobicContact CB-CD2 3.96Å; R120-W133 HydrophobicContact CB-CE3 4.09Å; R120-W133 HydrophobicContact CB-CH2 3.87Å; R120-W133 HydrophobicContact CB-CZ2 3.74Å; R120-W133 HydrophobicContact CB-CZ3 4.05Å; R120-W133 HydrophobicContact CG-CZ2 4.29Å
121	L	98.1	Very high	94.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	133.8	-179.1	-58.4	-179.3	0	0	0	109.8	L95 L109 T110 V111 L119 D131 F132 V134 I141	L95-L121 HydrophobicContact CD1-CD1 4.36Å; L95-L121 HydrophobicContact CD2-CD2 4.18Å; L109-L121 HydrophobicContact CD1-CB 4.31Å; L109-L121 HydrophobicContact CD1-CD1 3.9Å; T110-L121 WeakPolarHBondContact O-CA 3.35Å; V111-L121 HydrophobicContact CG2-CD2 3.93Å; L119-L121 HydrophobicContact CB-CD2 4.07Å; L119-L121 HydrophobicContact CB-CG 4.43Å; L121-D131 VanDerWaalsContact O-CA 3.24Å; L121-D131 WeakPolarHBondContact O-CA 3.36Å; L121-F132 HydrophobicContact CB-CE1 4.29Å; L121-F132 HydrophobicContact CB-CE2 4.25Å; L121-F132 HydrophobicContact CB-CZ 4.1Å; L121-F132 HydrophobicContact CD1-CE2 3.94Å; L121-F132 HydrophobicContact CD1-CZ 4.16Å; L121-F132 PolarHBondContact N-O 2.94Å; L121-F132 PolarHBondContact O-N 2.91Å; L121-F132 VanDerWaalsContact O-N 3.11Å; L121-V134 HydrophobicContact CD1-CG1 4.43Å; L121-V134 HydrophobicContact CD1-CG2 3.59Å; L121-V134 HydrophobicContact CG-CG2 4.15Å; L121-I141 HydrophobicContact CD1-CG2 3.61Å
122	H	97.3	Very high	94.1	Very high	36 Å²	36	29.8 Å²	29.8	17%	0.167	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	135.6	176.7	175.3	69.5	0	0	0	109.8	L109 T110 A112 D124 Y126 D131	L109-H122 CarbonylContact C-O 3.54Å; L109-H122 WeakPolarHBondContact CA-O 3.27Å; T110-H122 PolarHBondContact N-O 3.1Å; T110-H122 PolarHBondContact O-N 2.95Å; A112-H122 HydrophobicContact CB-CB 4.12Å; H122-D124 IonicContact CD2-OD1 3.18Å; H122-Y126 PolarHBondContact CE1-O 3.37Å; H122-D131 WeakPolarHBondContact CA-OD1 3.33Å; H122-D131 IonicContact CE1-OD1 3.53Å; H122-D131 IonicContact CG-OD1 3.72Å; H122-D131 IonicContact ND1-OD1 2.78Å; H122-D131 PolarHBondContact ND1-OD1 2.83Å
123	I	96.4	Very high	94	Very high	3 Å²	3	30 Å²	30	2%	0.015	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	113.1	175.4	-47.4	-179.5	0	0	0	109.1	C107 L109 G125 Y126 F132	C107-I123 HydrophobicContact CB-CG2 4.11Å; L109-I123 HydrophobicContact CD2-CB 4.18Å; L109-I123 HydrophobicContact CD2-CG1 3.82Å; L109-I123 HydrophobicContact CD2-CG2 4.3Å; I123-G125 PolarHBondContact O-N 3.35Å; I123-Y126 HydrophobicContact CB-CD2 4.23Å; I123-Y126 HydrophobicContact CG2-CD2 3.64Å; I123-Y126 HydrophobicContact CG2-CE2 4.16Å; I123-Y126 HydrophobicContact CG2-CG 4.36Å; I123-Y126 WeakPolarHBondContact O-CB 3.45Å; I123-Y126 PolarHBondContact O-N 3.03Å; I123-F132 HydrophobicContact CD1-CE1 4.43Å; I123-F132 HydrophobicContact CG1-CE1 4.15Å
124	D	96.3	Very high	94.1	Very high	6 Å²	6	28.3 Å²	28.3	3%	0.032	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	124.3	-165.4	-80.1	2.7	0	0	0	113.5	K94 V108 T110 H122 Y126 P157 K158 Y170	K94-D124 IonicContact NZ-OD1 3.47Å; K94-D124 IonicContact NZ-OD2 2.64Å; K94-D124 PolarHBondContact NZ-OD2 2.99Å; V108-D124 HydrophobicContact CG1-CB 4.15Å; V108-D124 WeakPolarHBondContact CG1-OD2 3.28Å; V108-D124 PolarHBondContact O-N 2.81Å; V108-D124 VanDerWaalsContact O-N 3.08Å; T110-D124 WeakPolarHBondContact CB-OD1 3.45Å; T110-D124 PolarHBondContact N-OD1 2.98Å; T110-D124 PolarHBondContact OG1-OD1 3.1Å; T110-D124 PolarHBondContact OG1-OD2 3.36Å; H122-D124 IonicContact CD2-OD1 3.18Å; D124-Y126 VanDerWaalsContact C-N 3.34Å; D124-Y126 WeakPolarHBondContact O-CD2 3.44Å; D124-P157 HydrophobicContact CB-CB 3.86Å; D124-P157 HydrophobicContact CB-CG 3.97Å; D124-P157 VanDerWaalsContact O-CA 3.28Å; D124-P157 WeakPolarHBondContact O-CA 3.22Å; D124-K158 PolarHBondContact O-N 3.33Å; D124-Y170 PolarHBondContact OD2-OH 3.23Å; D124-Y170 VanDerWaalsContact OD2-OH 3.08Å
125	G	93.2	Very high	94.1	Very high	48 Å²	48	26.4 Å²	26.4	50%	0.495	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.9	1.3	-179.3	0	0	0	0	0	114.8	I123 K158	I123-G125 PolarHBondContact O-N 3.35Å; G125-K158 VanDerWaalsContact O-CB 3.31Å; G125-K158 WeakPolarHBondContact O-CB 3.12Å; G125-K158 VanDerWaalsContact O-CD 3.29Å; G125-K158 WeakPolarHBondContact O-CD 3.2Å
126	Y	92.3	Very high	94	Very high	51 Å²	51	25.3 Å²	25.3	20%	0.2	14%	0.142	C	C	.	.	S	Bend	trans	-100.5	-177.6	172.4	-64.7	-92.8	0	0	0	111	H122 I123 D124 K158 R420 L421	H122-Y126 PolarHBondContact CE1-O 3.37Å; I123-Y126 HydrophobicContact CB-CD2 4.23Å; I123-Y126 HydrophobicContact CG2-CD2 3.64Å; I123-Y126 HydrophobicContact CG2-CE2 4.16Å; I123-Y126 HydrophobicContact CG2-CG 4.36Å; I123-Y126 WeakPolarHBondContact O-CB 3.45Å; I123-Y126 PolarHBondContact O-N 3.03Å; D124-Y126 VanDerWaalsContact C-N 3.34Å; D124-Y126 WeakPolarHBondContact O-CD2 3.44Å; Y126-K158 HydrophobicContact CD1-CD 4.46Å; Y126-K158 HydrophobicContact CD2-CB 4.31Å; Y126-K158 HydrophobicContact CE1-CD 4.28Å; Y126-K158 HydrophobicContact CE2-CB 3.91Å; Y126-R420 HydrophobicContact CD1-CB 3.98Å; Y126-R420 HydrophobicContact CD1-CG 4.25Å; Y126-R420 HydrophobicContact CE1-CB 4.28Å; Y126-R420 HydrophobicContact CE1-CG 4.28Å; Y126-R420 VanDerWaalsContact CZ-NH1 3.33Å; Y126-L421 HydrophobicContact CE1-CD2 4.32Å
127	S	90.3	Very high	94	Very high	56 Å²	56	25.8 Å²	25.8	39%	0.392	14%	0.14	S	C	.	.			trans	-88	144.1	179.9	-168.5	0	0	0	0	111.4	C129 Y130	S127-C129 PolarHBondContact O-N 3.41Å; S127-Y130 VanDerWaalsContact O-CD2 3.29Å; S127-Y130 WeakPolarHBondContact O-CD2 3.4Å; S127-Y130 PolarHBondContact O-N 2.82Å
128	E	89.6	Confident	94	Very high	96 Å²	96	26.1 Å²	26.1	45%	0.449	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-54.5	-6.9	175.1	-60.7	169.9	178.9	0	0	115.5	Y130 D131 K394	E128-Y130 VanDerWaalsContact C-N 3.26Å; E128-D131 WeakPolarHBondContact CA-OD1 3.28Å; E128-D131 WeakPolarHBondContact O-CB 3.33Å; E128-D131 PolarHBondContact O-N 2.75Å; E128-K394 HydrophobicContact CB-CB 4.21Å
129	C	86.7	Confident	93.9	Very high	27 Å²	27	27.4 Å²	27.4	18%	0.182	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-70.3	-23.4	169.6	60.4	0	0	0	0	112.9	S127 D131 L417	S127-C129 PolarHBondContact O-N 3.41Å; C129-D131 VanDerWaalsContact C-N 3.34Å; C129-L417 HydrophobicContact CB-CD2 3.93Å; C129-L417 WeakPolarHBondContact O-CD1 3.45Å
130	Y	90	Very high	93.8	Very high	36 Å²	36	29.3 Å²	29.3	14%	0.141	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-89.8	4.3	175.7	-53.5	-66.3	0	0	0	113.2	L101 S127 E128 F132 L417 P418 R420	L101-Y130 HydrophobicContact CD1-CD1 4.36Å; S127-Y130 VanDerWaalsContact O-CD2 3.29Å; S127-Y130 WeakPolarHBondContact O-CD2 3.4Å; S127-Y130 PolarHBondContact O-N 2.82Å; E128-Y130 VanDerWaalsContact C-N 3.26Å; Y130-F132 PolarHBondContact O-N 2.8Å; Y130-L417 HydrophobicContact CD1-CB 4.44Å; Y130-L417 HydrophobicContact CD1-CD1 3.99Å; Y130-L417 HydrophobicContact CE1-CB 3.98Å; Y130-L417 HydrophobicContact CE1-CD1 4.32Å; Y130-P418 VanDerWaalsContact CE1-O 3.3Å; Y130-P418 WeakPolarHBondContact CE1-O 3.42Å; Y130-P418 PolarHBondContact OH-O 3.07Å; Y130-P418 VanDerWaalsContact OH-O 3.11Å; Y130-R420 HydrophobicContact CD1-CB 4.27Å; Y130-R420 HydrophobicContact CD2-CB 4.12Å; Y130-R420 HydrophobicContact CE1-CB 3.87Å; Y130-R420 HydrophobicContact CE2-CB 3.69Å; Y130-R420 HydrophobicContact CG-CB 4.4Å
131	D	93.9	Very high	93.8	Very high	18 Å²	18	27.8 Å²	27.8	10%	0.096	16%	0.156	C	C	.	.			trans	-64.7	132.8	174.1	-79.8	29	0	0	0	110.5	R120 L121 H122 E128 C129 A393	R120-D131 HydrophobicContact CG-CB 4Å; R120-D131 IonicContact CZ-OD2 2.66Å; R120-D131 IonicContact NH1-OD2 3.67Å; R120-D131 PolarHBondContact NH1-OD2 2.73Å; L121-D131 VanDerWaalsContact O-CA 3.24Å; L121-D131 WeakPolarHBondContact O-CA 3.36Å; H122-D131 WeakPolarHBondContact CA-OD1 3.33Å; H122-D131 IonicContact CE1-OD1 3.53Å; H122-D131 IonicContact CG-OD1 3.72Å; H122-D131 IonicContact ND1-OD1 2.78Å; H122-D131 PolarHBondContact ND1-OD1 2.83Å; E128-D131 WeakPolarHBondContact CA-OD1 3.28Å; E128-D131 WeakPolarHBondContact O-CB 3.33Å; E128-D131 PolarHBondContact O-N 2.75Å; C129-D131 VanDerWaalsContact C-N 3.34Å; D131-A393 HydrophobicContact CB-CB 4.01Å
132	F	94.9	Very high	93.7	Very high	30 Å²	30	28.6 Å²	28.6	13%	0.132	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	162.7	-178.7	62.6	-86.9	0	0	0	111.7	P100 L109 R120 L121 I123 Y130 V134	P100-F132 HydrophobicContact CG-CB 4.12Å; P100-F132 HydrophobicContact CG-CD1 3.96Å; P100-F132 HydrophobicContact CG-CD2 3.47Å; P100-F132 VanDerWaalsContact CG-CD2 3.47Å; P100-F132 HydrophobicContact CG-CE1 4.17Å; P100-F132 HydrophobicContact CG-CE2 3.69Å; P100-F132 HydrophobicContact CG-CG 3.6Å; P100-F132 HydrophobicContact CG-CZ 4.03Å; L109-F132 HydrophobicContact CD1-CE1 4.34Å; L109-F132 HydrophobicContact CD1-CZ 3.73Å; L109-F132 HydrophobicContact CD2-CE1 4.24Å; L109-F132 HydrophobicContact CD2-CZ 4.42Å; R120-F132 CarbonylContact C-O 3.59Å; R120-F132 WeakPolarHBondContact CA-O 3.3Å; L121-F132 HydrophobicContact CB-CE1 4.29Å; L121-F132 HydrophobicContact CB-CE2 4.25Å; L121-F132 HydrophobicContact CB-CZ 4.1Å; L121-F132 HydrophobicContact CD1-CE2 3.94Å; L121-F132 HydrophobicContact CD1-CZ 4.16Å; L121-F132 PolarHBondContact N-O 2.94Å; L121-F132 PolarHBondContact O-N 2.91Å; L121-F132 VanDerWaalsContact O-N 3.11Å; I123-F132 HydrophobicContact CD1-CE1 4.43Å; I123-F132 HydrophobicContact CG1-CE1 4.15Å; Y130-F132 PolarHBondContact O-N 2.8Å; F132-V134 HydrophobicContact CD2-CG1 3.83Å; F132-V134 HydrophobicContact CE2-CG1 3.77Å
133	W	96.3	Very high	93.7	Very high	33 Å²	33	27.9 Å²	27.9	13%	0.125	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	139.9	179.8	-72.6	84.4	0	0	0	110.9	E113 I115 R118 L119 R120 P311 M312	E113-W133 HydrophobicContact CB-CH2 4.15Å; E113-W133 HydrophobicContact CG-CH2 4.15Å; I115-W133 HydrophobicContact CB-CH2 4.29Å; I115-W133 HydrophobicContact CB-CZ3 4.18Å; I115-W133 HydrophobicContact CD1-CH2 3.48Å; I115-W133 VanDerWaalsContact CD1-CH2 3.48Å; I115-W133 HydrophobicContact CD1-CZ2 4.22Å; I115-W133 HydrophobicContact CD1-CZ3 4.2Å; I115-W133 HydrophobicContact CG1-CH2 3.74Å; I115-W133 HydrophobicContact CG1-CZ3 4.11Å; R118-W133 HydrophobicContact CB-CE3 3.94Å; R118-W133 HydrophobicContact CB-CZ3 4.22Å; L119-W133 WeakPolarHBondContact O-CA 3.31Å; R120-W133 HydrophobicContact CB-CD2 3.96Å; R120-W133 HydrophobicContact CB-CE3 4.09Å; R120-W133 HydrophobicContact CB-CH2 3.87Å; R120-W133 HydrophobicContact CB-CZ2 3.74Å; R120-W133 HydrophobicContact CB-CZ3 4.05Å; R120-W133 HydrophobicContact CG-CZ2 4.29Å; W133-P311 HydrophobicContact CB-CB 4.45Å; W133-P311 HydrophobicContact CG-CB 4.36Å; W133-M312 HydrophobicContact CH2-CG 4.31Å; W133-M312 HydrophobicContact CZ2-CB 3.89Å; W133-M312 HydrophobicContact CZ2-CG 3.71Å
134	V	96.6	Very high	93.7	Very high	18 Å²	18	29.2 Å²	29.2	11%	0.109	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	158.3	170.5	-60.6	0	0	0	0	110.8	R118 L119 L121 F132 I141	R118-V134 CarbonylContact C-O 3.6Å; R118-V134 WeakPolarHBondContact CA-O 3.42Å; L119-V134 HydrophobicContact CB-CG2 4.2Å; L119-V134 PolarHBondContact N-O 3.47Å; L119-V134 PolarHBondContact O-N 3.38Å; L121-V134 HydrophobicContact CD1-CG1 4.43Å; L121-V134 HydrophobicContact CD1-CG2 3.59Å; L121-V134 HydrophobicContact CG-CG2 4.15Å; F132-V134 HydrophobicContact CD2-CG1 3.83Å; F132-V134 HydrophobicContact CE2-CG1 3.77Å; V134-I141 HydrophobicContact CG2-CG2 4.3Å
135	N	95.1	Very high	93.7	Very high	7 Å²	7	30 Å²	30	4%	0.037	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	146.1	163	-59.7	-23.1	0	0	0	109.3	R118 D137 S138 P347	R118-N135 WeakPolarHBondContact CG-OD1 3.42Å; N135-D137 VanDerWaalsContact CB-OD1 3.3Å; N135-D137 WeakPolarHBondContact CB-OD1 3.42Å; N135-D137 PolarHBondContact O-N 3.46Å; N135-D137 VanDerWaalsContact O-N 3.17Å; N135-S138 WeakPolarHBondContact O-CB 3.29Å; N135-S138 PolarHBondContact O-N 2.89Å; N135-P347 PolarHBondContact ND2-O 2.7Å
136	A	93.6	Very high	93.8	Very high	4 Å²	4	28.9 Å²	28.9	3%	0.033	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-14.3	-175.2	0	0	0	0	0	114.9	T87 F89 C117 L119	T87-A136 HydrophobicContact CG2-CB 3.3Å; F89-A136 HydrophobicContact CD2-CB 3.9Å; F89-A136 HydrophobicContact CE2-CB 3.98Å; F89-A136 WeakPolarHBondContact CE2-O 3.41Å; C117-A136 VanDerWaalsContact O-CB 3.22Å; C117-A136 WeakPolarHBondContact O-CB 3.09Å; C117-A136 PolarHBondContact O-N 2.96Å; L119-A136 HydrophobicContact CD1-CB 4.02Å; L119-A136 HydrophobicContact CD2-CB 4.26Å; L119-A136 HydrophobicContact CG-CB 4.04Å
137	D	91.7	Very high	93.9	Very high	30 Å²	30	26.6 Å²	26.6	16%	0.16	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	6.9	172.8	52.2	-7.5	0	0	0	113.5	P83 N135 T185	P83-D137 WeakPolarHBondContact CG-OD2 3.43Å; N135-D137 VanDerWaalsContact CB-OD1 3.3Å; N135-D137 WeakPolarHBondContact CB-OD1 3.42Å; N135-D137 PolarHBondContact O-N 3.46Å; N135-D137 VanDerWaalsContact O-N 3.17Å; D137-T185 VanDerWaalsContact CA-OG1 3.27Å; D137-T185 WeakPolarHBondContact CA-OG1 3.44Å; D137-T185 VanDerWaalsContact CB-OG1 3.28Å; D137-T185 WeakPolarHBondContact CB-OG1 3.34Å; D137-T185 WeakPolarHBondContact O-CB 3.46Å; D137-T185 PolarHBondContact O-OG1 3.37Å
138	S	93.4	Very high	94.1	Very high	12 Å²	12	31.1 Å²	31.1	8%	0.084	16%	0.159	C	C	.	.			trans	-48.8	135.4	-179.8	160	0	0	0	0	112.6	N135 D140 I141	N135-S138 WeakPolarHBondContact O-CB 3.29Å; N135-S138 PolarHBondContact O-N 2.89Å; S138-D140 PolarHBondContact O-N 3.24Å; S138-D140 VanDerWaalsContact O-N 3.16Å; S138-D140 WeakPolarHBondContact OG-CB 3.19Å; S138-D140 PolarHBondContact OG-N 3.28Å; S138-D140 PolarHBondContact OG-OD2 3.29Å; S138-I141 WeakPolarHBondContact O-CG1 3.49Å
139	P	92.2	Very high	94.3	Very high	28 Å²	28	33.6 Å²	33.6	18%	0.182	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	3.8	174.8	33.9	-37.3	0	0	0	113.2	R142	P139-R142 VanDerWaalsContact C-NH1 3.33Å; P139-R142 VanDerWaalsContact O-CZ 3.25Å; P139-R142 PolarHBondContact O-NH1 2.95Å; P139-R142 PolarHBondContact O-NH2 3.24Å
140	D	94.9	Very high	94.5	Very high	40 Å²	40	36.4 Å²	36.4	21%	0.214	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107	-2.1	-173.5	-45.1	-64.5	0	0	0	113.3	G97 I98 S138 R222	G97-D140 VanDerWaalsContact CA-O 3.23Å; G97-D140 WeakPolarHBondContact CA-O 3.46Å; I98-D140 HydrophobicContact CB-CB 4.36Å; I98-D140 HydrophobicContact CD1-CB 4.07Å; I98-D140 PolarHBondContact N-O 2.75Å; S138-D140 PolarHBondContact O-N 3.24Å; S138-D140 VanDerWaalsContact O-N 3.16Å; S138-D140 WeakPolarHBondContact OG-CB 3.19Å; S138-D140 PolarHBondContact OG-N 3.28Å; S138-D140 PolarHBondContact OG-OD2 3.29Å; D140-R222 IonicContact OD1-CZ 3.84Å; D140-R222 IonicContact OD1-NH1 3.64Å; D140-R222 PolarHBondContact OD1-NH1 2.7Å; D140-R222 IonicContact OD1-NH2 2.77Å; D140-R222 PolarHBondContact OD1-NH2 2.93Å
141	I	96.6	Very high	94.6	Very high	4 Å²	4	45.9 Å²	45.9	2%	0.021	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	147.7	176.8	57.6	167.5	0	0	0	112.8	F89 L95 E96 L119 L121 V134 S138 F184	F89-I141 HydrophobicContact CZ-CD1 4.02Å; L95-I141 HydrophobicContact CD1-CB 4.17Å; L95-I141 HydrophobicContact CD1-CG2 4.03Å; E96-I141 CarbonylContact O-C 3.56Å; L119-I141 HydrophobicContact CD1-CD1 4.24Å; L121-I141 HydrophobicContact CD1-CG2 3.61Å; V134-I141 HydrophobicContact CG2-CG2 4.3Å; S138-I141 WeakPolarHBondContact O-CG1 3.49Å; I141-F184 HydrophobicContact CB-CD1 4.38Å; I141-F184 HydrophobicContact CB-CE1 4.11Å; I141-F184 HydrophobicContact CD1-CD1 4.21Å; I141-F184 HydrophobicContact CD1-CE1 4.13Å; I141-F184 HydrophobicContact CG1-CD1 4.03Å; I141-F184 HydrophobicContact CG1-CE1 4.13Å
142	R	96.1	Very high	94.5	Very high	17 Å²	17	46.7 Å²	46.7	6%	0.064	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	152.2	-171.9	-64.1	-66.8	-179.3	-80.8	-9.3	112	L95 E96 P139 W146 F184	L95-R142 WeakPolarHBondContact CB-O 3.47Å; E96-R142 HydrophobicContact CB-CB 4.07Å; E96-R142 PolarHBondContact N-O 2.94Å; E96-R142 PolarHBondContact O-N 2.94Å; E96-R142 VanDerWaalsContact O-O 3.1Å; P139-R142 VanDerWaalsContact C-NH1 3.33Å; P139-R142 VanDerWaalsContact O-CZ 3.25Å; P139-R142 PolarHBondContact O-NH1 2.95Å; P139-R142 PolarHBondContact O-NH2 3.24Å; R142-W146 HydrophobicContact CB-CB 3.83Å; R142-W146 HydrophobicContact CB-CD2 3.95Å; R142-W146 HydrophobicContact CB-CE3 4.07Å; R142-W146 HydrophobicContact CB-CG 3.84Å; R142-W146 HydrophobicContact CG-CB 4.48Å; R142-W146 HydrophobicContact CG-CD2 3.59Å; R142-W146 HydrophobicContact CG-CE3 3.58Å; R142-W146 HydrophobicContact CG-CG 3.98Å; R142-W146 HydrophobicContact CG-CZ3 4.13Å; R142-F184 VanDerWaalsContact O-CE1 3.29Å; R142-F184 WeakPolarHBondContact O-CE1 3.27Å; R142-F184 WeakPolarHBondContact O-CZ 2.88Å
143	P	97	Very high	94.4	Very high	22 Å²	22	50.6 Å²	50.6	14%	0.143	24%	0.236	C	C	.	.			trans	-66.6	153.8	173.8	27.7	-32.8	0	0	0	111.6	G145 W146 P181 F184	P143-G145 PolarHBondContact O-N 2.93Å; P143-W146 HydrophobicContact CG-CB 4.27Å; P143-W146 VanDerWaalsContact O-CB 3.23Å; P143-W146 WeakPolarHBondContact O-CB 3.26Å; P143-W146 PolarHBondContact O-N 3.26Å; P143-W146 VanDerWaalsContact O-N 3.16Å; P143-P181 HydrophobicContact CB-CB 4.16Å; P143-P181 HydrophobicContact CB-CG 3.93Å; P143-P181 HydrophobicContact CG-CB 4.29Å; P143-P181 HydrophobicContact CG-CG 4.43Å; P143-F184 HydrophobicContact CB-CD2 3.95Å; P143-F184 HydrophobicContact CB-CE2 3.74Å; P143-F184 HydrophobicContact CB-CZ 4.31Å; P143-F184 HydrophobicContact CG-CD2 4.32Å
144	A	97.3	Very high	94.4	Very high	31 Å²	31	50.5 Å²	50.5	26%	0.256	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	127.4	174	0	0	0	0	0	111.5	W167 A178	A144-W167 HydrophobicContact CB-CD2 3.61Å; A144-W167 HydrophobicContact CB-CE3 3.74Å; A144-W167 HydrophobicContact CB-CG 4.15Å; A144-W167 HydrophobicContact CB-CH2 3.96Å; A144-W167 HydrophobicContact CB-CZ2 3.88Å; A144-W167 HydrophobicContact CB-CZ3 3.91Å; A144-A178 HydrophobicContact CB-CB 3.82Å
145	G	95.4	Very high	94.3	Very high	23 Å²	23	51.6 Å²	51.6	24%	0.237	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.4	-8.7	-177.8	0	0	0	0	0	114.8	E96 P143 C147 R148 E149	E96-G145 WeakPolarHBondContact OE1-CA 3.45Å; E96-G145 PolarHBondContact OE1-N 3.46Å; P143-G145 PolarHBondContact O-N 2.93Å; G145-C147 PolarHBondContact O-N 2.88Å; G145-R148 PolarHBondContact O-N 3.1Å; G145-E149 PolarHBondContact O-N 3.17Å; G145-E149 VanDerWaalsContact O-N 3.12Å
146	W	95.8	Very high	94.2	Very high	24 Å²	24	52 Å²	52	9%	0.091	25%	0.245	C	C	.	.	H	α-helix	trans	-61.8	-44.7	-174.8	-178.9	85.3	0	0	0	112.9	E96 F106 R142 P143 R148 E149 H150 H152 I219	E96-W146 PolarHBondContact OE2-N 3.48Å; F106-W146 HydrophobicContact CD1-CZ3 4.45Å; F106-W146 AromaticContact CE1-CZ3 3.93Å; F106-W146 HydrophobicContact CE1-CZ3 3.93Å; F106-W146 HydrophobicContact CE2-CZ3 4.5Å; F106-W146 AromaticContact CZ-CZ3 3.99Å; F106-W146 HydrophobicContact CZ-CZ3 3.99Å; R142-W146 HydrophobicContact CB-CB 3.83Å; R142-W146 HydrophobicContact CB-CD2 3.95Å; R142-W146 HydrophobicContact CB-CE3 4.07Å; R142-W146 HydrophobicContact CB-CG 3.84Å; R142-W146 HydrophobicContact CG-CB 4.48Å; R142-W146 HydrophobicContact CG-CD2 3.59Å; R142-W146 HydrophobicContact CG-CE3 3.58Å; R142-W146 HydrophobicContact CG-CG 3.98Å; R142-W146 HydrophobicContact CG-CZ3 4.13Å; P143-W146 HydrophobicContact CG-CB 4.27Å; P143-W146 VanDerWaalsContact O-CB 3.23Å; P143-W146 WeakPolarHBondContact O-CB 3.26Å; P143-W146 PolarHBondContact O-N 3.26Å; P143-W146 VanDerWaalsContact O-N 3.16Å; W146-R148 VanDerWaalsContact C-N 3.28Å; W146-R148 PolarHBondContact O-N 2.88Å; W146-E149 PolarHBondContact O-N 2.87Å; W146-E149 VanDerWaalsContact O-N 3.16Å; W146-H150 AromaticContact CD1-CE1 3.32Å; W146-H150 AromaticContact CD1-ND1 3.37Å; W146-H150 AromaticContact CD1-NE2 3.99Å; W146-H150 HydrophobicContact CD2-CB 4.43Å; W146-H150 AromaticContact CD2-ND1 3.94Å; W146-H150 AromaticContact CE2-CD2 3.8Å; W146-H150 AromaticContact CE2-CE1 3.91Å; W146-H150 AromaticContact CE2-CG 3.56Å; W146-H150 AromaticContact CE2-ND1 3.61Å; W146-H150 AromaticContact CG-ND1 3.8Å; W146-H150 HydrophobicContact CH2-CB 4.23Å; W146-H150 HydrophobicContact CZ2-CB 4Å; W146-H150 AromaticContact CZ2-CD2 3.81Å; W146-H150 AromaticContact CZ2-CG 3.76Å; W146-H150 AromaticContact NE1-CD2 3.61Å; W146-H150 AromaticContact NE1-CE1 3.11Å; W146-H150 PolarHBondContact NE1-CE1 3.01Å; W146-H150 AromaticContact NE1-CG 3.58Å; W146-H150 AromaticContact NE1-ND1 3.24Å; W146-H150 PolarHBondContact NE1-ND1 3.45Å; W146-H150 AromaticContact NE1-NE2 3.31Å; W146-H150 PolarHBondContact NE1-NE2 3.09Å; W146-H150 WeakPolarHBondContact O-CB 3.17Å; W146-H150 PolarHBondContact O-N 2.88Å; W146-H150 PolarHBondContact O-ND1 3.35Å; W146-H152 AromaticContact CH2-CD2 3.35Å; W146-H152 WeakPolarHBondContact CH2-CD2 3.3Å; W146-H152 AromaticContact CH2-NE2 3.31Å; W146-H152 VanDerWaalsContact CH2-NE2 3.31Å; W146-H152 WeakPolarHBondContact CH2-NE2 3.24Å; W146-H152 HydrophobicContact CZ3-CB 4.43Å; W146-H152 AromaticContact CZ3-CD2 3.37Å; W146-H152 WeakPolarHBondContact CZ3-CD2 3.41Å; W146-H152 AromaticContact CZ3-CG 3.93Å; W146-H152 AromaticContact CZ3-NE2 3.85Å; W146-I219 HydrophobicContact CH2-CD1 3.72Å; W146-I219 HydrophobicContact CH2-CG1 4.04Å; W146-I219 HydrophobicContact CH2-CG2 3.97Å; W146-I219 HydrophobicContact CZ2-CG2 3.95Å; W146-I219 HydrophobicContact CZ3-CD1 4.31Å
147	C	95.1	Very high	94.2	Very high	2 Å²	2	52 Å²	52	1%	0.014	25%	0.245	C	C	.	.	H	α-helix	trans	-58.2	-40.8	177.2	-69.5	0	0	0	0	111.7	E96 F106 G145 H150 R151 H152 L154	E96-C147 WeakPolarHBondContact OE2-CB 3.45Å; E96-C147 PolarHBondContact OE2-N 3.38Å; E96-C147 PolarHBondContact OE2-SG 3.22Å; F106-C147 WeakPolarHBondContact CB-SG 3.01Å; F106-C147 VanDerWaalsContact CG-SG 3.54Å; G145-C147 PolarHBondContact O-N 2.88Å; C147-H150 PolarHBondContact O-N 2.87Å; C147-R151 CarbonylContact O-C 3.53Å; C147-R151 WeakPolarHBondContact O-CA 3.44Å; C147-R151 PolarHBondContact O-N 2.94Å; C147-H152 HydrophobicContact CB-CB 4.31Å; C147-H152 PolarHBondContact O-N 3.27Å; C147-L154 HydrophobicContact CB-CB 3.98Å
148	R	93.3	Very high	94.1	Very high	151 Å²	151	57 Å²	57	57%	0.57	27%	0.265	S	S	*	.	H	α-helix	trans	-66.2	-39.5	178.1	-174.3	-174	-71.5	179.4	-4.9	111.8	G145 W146 F165 D166	G145-R148 PolarHBondContact O-N 3.1Å; W146-R148 VanDerWaalsContact C-N 3.28Å; W146-R148 PolarHBondContact O-N 2.88Å; R148-F165 PolarHBondContact NH2-O 3.24Å; R148-D166 IonicContact CZ-OD2 3.21Å; R148-D166 IonicContact NH1-OD2 2.72Å; R148-D166 PolarHBondContact NH1-OD2 3.01Å; R148-D166 IonicContact NH2-OD2 2.75Å; R148-D166 PolarHBondContact NH2-OD2 3.32Å
149	E	94.1	Very high	93.8	Very high	149 Å²	149	60.4 Å²	60.4	70%	0.696	30%	0.302	S	S	*	.	H	α-helix	trans	-68.4	-43.1	176.8	-178.8	177.9	-151.1	0	0	111.9	G145 W146	G145-E149 PolarHBondContact O-N 3.17Å; G145-E149 VanDerWaalsContact O-N 3.12Å; W146-E149 PolarHBondContact O-N 2.87Å; W146-E149 VanDerWaalsContact O-N 3.16Å
150	H	91.1	Very high	93.6	Very high	85 Å²	85	63.4 Å²	63.4	39%	0.394	31%	0.313	S	S	.	.	H	α-helix	trans	-94.7	0.9	-173.3	-64.2	69.7	0	0	0	113.6	W146 C147	W146-H150 AromaticContact CD1-CE1 3.32Å; W146-H150 AromaticContact CD1-ND1 3.37Å; W146-H150 AromaticContact CD1-NE2 3.99Å; W146-H150 HydrophobicContact CD2-CB 4.43Å; W146-H150 AromaticContact CD2-ND1 3.94Å; W146-H150 AromaticContact CE2-CD2 3.8Å; W146-H150 AromaticContact CE2-CE1 3.91Å; W146-H150 AromaticContact CE2-CG 3.56Å; W146-H150 AromaticContact CE2-ND1 3.61Å; W146-H150 AromaticContact CG-ND1 3.8Å; W146-H150 HydrophobicContact CH2-CB 4.23Å; W146-H150 HydrophobicContact CZ2-CB 4Å; W146-H150 AromaticContact CZ2-CD2 3.81Å; W146-H150 AromaticContact CZ2-CG 3.76Å; W146-H150 AromaticContact NE1-CD2 3.61Å; W146-H150 AromaticContact NE1-CE1 3.11Å; W146-H150 PolarHBondContact NE1-CE1 3.01Å; W146-H150 AromaticContact NE1-CG 3.58Å; W146-H150 AromaticContact NE1-ND1 3.24Å; W146-H150 PolarHBondContact NE1-ND1 3.45Å; W146-H150 AromaticContact NE1-NE2 3.31Å; W146-H150 PolarHBondContact NE1-NE2 3.09Å; W146-H150 WeakPolarHBondContact O-CB 3.17Å; W146-H150 PolarHBondContact O-N 2.88Å; W146-H150 PolarHBondContact O-ND1 3.35Å; C147-H150 PolarHBondContact O-N 2.87Å
151	R	91.8	Very high	93.1	Very high	236 Å²	236	63.7 Å²	63.7	89%	0.891	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	22.2	178.9	-49.4	178.4	-179.6	175.9	0.3	115.9	C147	C147-R151 CarbonylContact O-C 3.53Å; C147-R151 WeakPolarHBondContact O-CA 3.44Å; C147-R151 PolarHBondContact O-N 2.94Å
152	H	93.2	Very high	92.2	Very high	35 Å²	35	68.5 Å²	68.5	16%	0.162	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-80.2	155.3	168.7	-56.7	-92.9	0	0	0	110.8	F106 W146 C147 L154 D217	F106-H152 HydrophobicContact CD2-CB 4.04Å; F106-H152 HydrophobicContact CE2-CB 4.19Å; W146-H152 AromaticContact CH2-CD2 3.35Å; W146-H152 WeakPolarHBondContact CH2-CD2 3.3Å; W146-H152 AromaticContact CH2-NE2 3.31Å; W146-H152 VanDerWaalsContact CH2-NE2 3.31Å; W146-H152 WeakPolarHBondContact CH2-NE2 3.24Å; W146-H152 HydrophobicContact CZ3-CB 4.43Å; W146-H152 AromaticContact CZ3-CD2 3.37Å; W146-H152 WeakPolarHBondContact CZ3-CD2 3.41Å; W146-H152 AromaticContact CZ3-CG 3.93Å; W146-H152 AromaticContact CZ3-NE2 3.85Å; C147-H152 HydrophobicContact CB-CB 4.31Å; C147-H152 PolarHBondContact O-N 3.27Å; H152-L154 PolarHBondContact O-N 2.57Å; H152-D217 IonicContact CE1-OD1 3.23Å; H152-D217 PolarHBondContact CE1-OD1 3.41Å; H152-D217 IonicContact CE1-OD2 3.59Å; H152-D217 PolarHBondContact CE1-OD2 2.86Å; H152-D217 VanDerWaalsContact CE1-OD2 3.23Å; H152-D217 IonicContact ND1-OD1 2.73Å; H152-D217 PolarHBondContact ND1-OD1 3.13Å; H152-D217 IonicContact ND1-OD2 3.66Å; H152-D217 PolarHBondContact ND1-OD2 3Å
153	K	92.7	Very high	91.5	Very high	111 Å²	111	73.9 Å²	73.9	48%	0.483	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-79.9	119.9	176.5	-174.8	-177.6	174.8	-177.9	0	110.5	E162	K153-E162 WeakPolarHBondContact CE-OE1 3.15Å; K153-E162 WeakPolarHBondContact CE-OE2 3.44Å; K153-E162 IonicContact NZ-OE1 2.91Å; K153-E162 PolarHBondContact NZ-OE1 2.99Å; K153-E162 IonicContact NZ-OE2 3.85Å; K153-E162 PolarHBondContact NZ-OE2 2.87Å
154	L	95.2	Very high	90.9	Very high	32 Å²	32	80.2 Å²	80.2	17%	0.168	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	123.1	170.2	-177.7	63.2	0	0	0	110.4	E96 F106 V108 C147 H152 P156 F165 W167	E96-L154 HydrophobicContact CG-CD1 3.92Å; E96-L154 HydrophobicContact CG-CD2 4.41Å; F106-L154 HydrophobicContact CB-CD1 4.29Å; V108-L154 HydrophobicContact CG2-CD1 3.99Å; V108-L154 HydrophobicContact CG2-CD2 3.93Å; V108-L154 HydrophobicContact CG2-CG 4.1Å; C147-L154 HydrophobicContact CB-CB 3.98Å; H152-L154 PolarHBondContact O-N 2.57Å; L154-P156 WeakPolarHBondContact O-CD 3.48Å; L154-F165 HydrophobicContact CD2-CD1 3.98Å; L154-F165 HydrophobicContact CD2-CE1 3.73Å; L154-W167 HydrophobicContact CD2-CZ2 4.41Å
155	H	94.4	Very high	90.8	Very high	40 Å²	40	79.7 Å²	79.7	19%	0.185	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	117.3	168.4	-74.5	-102.7	0	0	0	109.5	M105 F106 V108	M105-H155 VanDerWaalsContact SD-CE1 3.52Å; F106-H155 WeakPolarHBondContact O-CB 3.29Å; F106-H155 PolarHBondContact O-N 3.01Å; V108-H155 PolarHBondContact N-O 3.38Å
156	P	93.6	Very high	90.7	Very high	16 Å²	16	80.8 Å²	80.8	10%	0.104	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-76.3	168.1	-175.2	35.6	-39.9	0	0	0	111.5	L154 H160 E162 F165	L154-P156 WeakPolarHBondContact O-CD 3.48Å; P156-H160 HydrophobicContact CB-CB 4.05Å; P156-H160 HydrophobicContact CG-CB 4.49Å; P156-H160 WeakPolarHBondContact CG-O 3.34Å; P156-E162 HydrophobicContact CG-CG 4.1Å; P156-F165 HydrophobicContact CB-CB 3.83Å; P156-F165 HydrophobicContact CB-CD2 3.88Å; P156-F165 HydrophobicContact CB-CG 3.83Å
157	P	93.4	Very high	90.7	Very high	4 Å²	4	80.5 Å²	80.5	3%	0.026	40%	0.395	C	S	.	.	S	Bend	trans	-57.4	149	175	-23.1	34.4	0	0	0	112	V108 D124 G159 H160 F165 Y170	V108-P157 HydrophobicContact CB-CG 3.94Å; V108-P157 HydrophobicContact CG1-CG 3.85Å; V108-P157 HydrophobicContact CG2-CG 4.29Å; D124-P157 HydrophobicContact CB-CB 3.86Å; D124-P157 HydrophobicContact CB-CG 3.97Å; D124-P157 VanDerWaalsContact O-CA 3.28Å; D124-P157 WeakPolarHBondContact O-CA 3.22Å; P157-G159 PolarHBondContact O-N 2.9Å; P157-H160 WeakPolarHBondContact O-CB 3.48Å; P157-H160 PolarHBondContact O-N 2.87Å; P157-H160 PolarHBondContact O-ND1 3.18Å; P157-F165 HydrophobicContact CG-CD2 4.48Å; P157-F165 HydrophobicContact CG-CE2 3.86Å; P157-Y170 HydrophobicContact CB-CE2 4.38Å; P157-Y170 HydrophobicContact CG-CD2 4.49Å; P157-Y170 HydrophobicContact CG-CE1 3.85Å; P157-Y170 HydrophobicContact CG-CE2 3.85Å
158	K	89.6	Confident	90.7	Very high	136 Å²	136	85.5 Å²	85.5	59%	0.591	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	126.5	-177.8	-169.5	175.2	-176.2	168.5	0	111.8	D124 G125 Y126	D124-K158 PolarHBondContact O-N 3.33Å; G125-K158 VanDerWaalsContact O-CB 3.31Å; G125-K158 WeakPolarHBondContact O-CB 3.12Å; G125-K158 VanDerWaalsContact O-CD 3.29Å; G125-K158 WeakPolarHBondContact O-CD 3.2Å; Y126-K158 HydrophobicContact CD1-CD 4.46Å; Y126-K158 HydrophobicContact CD2-CB 4.31Å; Y126-K158 HydrophobicContact CE1-CD 4.28Å; Y126-K158 HydrophobicContact CE2-CB 3.91Å
159	G	86.2	Confident	90.8	Very high	83 Å²	83	83.3 Å²	83.3	86%	0.856	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.8	-0.1	-179.9	0	0	0	0	0	115.7	P157	P157-G159 PolarHBondContact O-N 2.9Å
160	H	88.1	Confident	90.9	Very high	90 Å²	90	77.6 Å²	77.6	42%	0.417	39%	0.39	S	S	.	.	S	Bend	trans	-97.9	148.4	170.2	-63.8	67.5	0	0	0	110.4	P156 P157 F165 Y170	P156-H160 HydrophobicContact CB-CB 4.05Å; P156-H160 HydrophobicContact CG-CB 4.49Å; P156-H160 WeakPolarHBondContact CG-O 3.34Å; P157-H160 WeakPolarHBondContact O-CB 3.48Å; P157-H160 PolarHBondContact O-N 2.87Å; P157-H160 PolarHBondContact O-ND1 3.18Å; H160-F165 HydrophobicContact CB-CD2 4.46Å; H160-Y170 AromaticContact CE1-CE2 3.95Å; H160-Y170 AromaticContact NE2-CD2 3.79Å; H160-Y170 AromaticContact NE2-CE2 3.77Å
161	S	85	Confident	91.2	Very high	46 Å²	46	74.9 Å²	74.9	32%	0.322	38%	0.378	S	S	.	.			trans	-80.4	140.8	175	180	0	0	0	0	111.5	T163 E164 F165	S161-T163 PolarHBondContact O-N 3.38Å; S161-T163 PolarHBondContact OG-N 3.27Å; S161-T163 PolarHBondContact OG-OG1 3.45Å; S161-T163 VanDerWaalsContact OG-OG1 3.09Å; S161-E164 WeakPolarHBondContact CB-OE2 3.46Å; S161-E164 PolarHBondContact O-N 3.39Å; S161-F165 PolarHBondContact O-N 3.4Å; S161-F165 VanDerWaalsContact O-N 3.12Å
162	E	78.6	Confident	91.4	Very high	106 Å²	106	69.9 Å²	69.9	50%	0.495	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-32.3	174.7	-61.1	-173.5	169.6	0	0	112.2	K153 P156	K153-E162 WeakPolarHBondContact CE-OE1 3.15Å; K153-E162 WeakPolarHBondContact CE-OE2 3.44Å; K153-E162 IonicContact NZ-OE1 2.91Å; K153-E162 PolarHBondContact NZ-OE1 2.99Å; K153-E162 IonicContact NZ-OE2 3.85Å; K153-E162 PolarHBondContact NZ-OE2 2.87Å; P156-E162 HydrophobicContact CG-CG 4.1Å
163	T	80.9	Confident	91.4	Very high	129 Å²	129	72.6 Å²	72.6	79%	0.791	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-15.3	-178	58.8	0	0	0	0	114.1	S161	S161-T163 PolarHBondContact O-N 3.38Å; S161-T163 PolarHBondContact OG-N 3.27Å; S161-T163 PolarHBondContact OG-OG1 3.45Å; S161-T163 VanDerWaalsContact OG-OG1 3.09Å
164	E	85.1	Confident	91.5	Very high	155 Å²	155	69.3 Å²	69.3	72%	0.724	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.6	-9.8	-173.5	-57.5	176.4	158.5	0	0	112.5	S161 D166	S161-E164 WeakPolarHBondContact CB-OE2 3.46Å; S161-E164 PolarHBondContact O-N 3.39Å; E164-D166 PolarHBondContact O-N 3.01Å; E164-D166 VanDerWaalsContact O-N 3.17Å
165	F	93.7	Very high	91.4	Very high	21 Å²	21	71.2 Å²	71.2	9%	0.092	41%	0.407	C	S	.	.			trans	-69	113	-178.5	-177.3	-94.8	0	0	0	111.9	V108 R148 L154 P156 P157 H160 S161 W167 Y170	V108-F165 HydrophobicContact CG1-CZ 4.44Å; V108-F165 HydrophobicContact CG2-CE1 3.9Å; V108-F165 HydrophobicContact CG2-CE2 4.27Å; V108-F165 HydrophobicContact CG2-CZ 3.63Å; R148-F165 PolarHBondContact NH2-O 3.24Å; L154-F165 HydrophobicContact CD2-CD1 3.98Å; L154-F165 HydrophobicContact CD2-CE1 3.73Å; P156-F165 HydrophobicContact CB-CB 3.83Å; P156-F165 HydrophobicContact CB-CD2 3.88Å; P156-F165 HydrophobicContact CB-CG 3.83Å; P157-F165 HydrophobicContact CG-CD2 4.48Å; P157-F165 HydrophobicContact CG-CE2 3.86Å; H160-F165 HydrophobicContact CB-CD2 4.46Å; S161-F165 PolarHBondContact O-N 3.4Å; S161-F165 VanDerWaalsContact O-N 3.12Å; F165-W167 AromaticContact CE1-CD1 3.99Å; F165-W167 AromaticContact CE1-CD2 3.97Å; F165-W167 HydrophobicContact CE1-CD2 3.97Å; F165-W167 AromaticContact CE1-CE2 3.88Å; F165-W167 HydrophobicContact CE1-CG 4.06Å; F165-W167 HydrophobicContact CE1-CZ2 4.47Å; F165-W167 AromaticContact CE1-NE1 3.87Å; F165-W167 HydrophobicContact CZ-CD2 4.08Å; F165-W167 HydrophobicContact CZ-CE3 4.29Å; F165-Y170 AromaticContact CE2-CD1 3.74Å; F165-Y170 HydrophobicContact CE2-CD1 3.74Å; F165-Y170 AromaticContact CE2-CD2 3.94Å; F165-Y170 HydrophobicContact CE2-CD2 3.94Å; F165-Y170 HydrophobicContact CE2-CE1 4.39Å; F165-Y170 AromaticContact CE2-CG 3.5Å; F165-Y170 HydrophobicContact CE2-CG 3.5Å; F165-Y170 VanDerWaalsContact CE2-CG 3.5Å; F165-Y170 AromaticContact CZ-CD1 3.84Å; F165-Y170 HydrophobicContact CZ-CD1 3.84Å; F165-Y170 AromaticContact CZ-CG 3.96Å; F165-Y170 HydrophobicContact CZ-CG 3.96Å
166	D	94.3	Very high	91.5	Very high	46 Å²	46	70.7 Å²	70.7	25%	0.246	41%	0.407	C	S	.	.			trans	-117.6	134.1	167.3	-167.2	-90.8	0	0	0	112.4	R148 E164 Q168 D169 Y170	R148-D166 IonicContact CZ-OD2 3.21Å; R148-D166 IonicContact NH1-OD2 2.72Å; R148-D166 PolarHBondContact NH1-OD2 3.01Å; R148-D166 IonicContact NH2-OD2 2.75Å; R148-D166 PolarHBondContact NH2-OD2 3.32Å; E164-D166 PolarHBondContact O-N 3.01Å; E164-D166 VanDerWaalsContact O-N 3.17Å; D166-Q168 VanDerWaalsContact C-N 3.33Å; D166-Q168 PolarHBondContact O-N 3.06Å; D166-Q168 WeakPolarHBondContact OD1-CA 3.26Å; D166-Q168 WeakPolarHBondContact OD1-CB 3.45Å; D166-Q168 PolarHBondContact OD1-N 3.16Å; D166-D169 PolarHBondContact O-N 2.93Å; D166-Y170 VanDerWaalsContact O-CB 3.26Å; D166-Y170 WeakPolarHBondContact O-CB 3.4Å; D166-Y170 PolarHBondContact O-N 3.36Å
167	W	95.9	Very high	91.6	Very high	17 Å²	17	76.1 Å²	76.1	6%	0.064	44%	0.435	C	S	.	.	H	α-helix	trans	-62.5	-35.8	-179.9	-89.1	114.1	0	0	0	113.4	K94 E96 V108 A144 L154 F165 Y170 L171	K94-W167 HydrophobicContact CB-CH2 4.25Å; K94-W167 HydrophobicContact CB-CZ3 3.87Å; K94-W167 HydrophobicContact CD-CZ3 4.45Å; E96-W167 HydrophobicContact CG-CZ2 3.54Å; E96-W167 PolarHBondContact OE1-NE1 3.35Å; V108-W167 HydrophobicContact CB-CH2 4.41Å; V108-W167 HydrophobicContact CG1-CH2 3.68Å; V108-W167 HydrophobicContact CG1-CZ2 4.25Å; V108-W167 HydrophobicContact CG1-CZ3 4.24Å; V108-W167 HydrophobicContact CG2-CH2 4.19Å; V108-W167 HydrophobicContact CG2-CZ2 3.89Å; A144-W167 HydrophobicContact CB-CD2 3.61Å; A144-W167 HydrophobicContact CB-CE3 3.74Å; A144-W167 HydrophobicContact CB-CG 4.15Å; A144-W167 HydrophobicContact CB-CH2 3.96Å; A144-W167 HydrophobicContact CB-CZ2 3.88Å; A144-W167 HydrophobicContact CB-CZ3 3.91Å; L154-W167 HydrophobicContact CD2-CZ2 4.41Å; F165-W167 AromaticContact CE1-CD1 3.99Å; F165-W167 AromaticContact CE1-CD2 3.97Å; F165-W167 HydrophobicContact CE1-CD2 3.97Å; F165-W167 AromaticContact CE1-CE2 3.88Å; F165-W167 HydrophobicContact CE1-CG 4.06Å; F165-W167 HydrophobicContact CE1-CZ2 4.47Å; F165-W167 AromaticContact CE1-NE1 3.87Å; F165-W167 HydrophobicContact CZ-CD2 4.08Å; F165-W167 HydrophobicContact CZ-CE3 4.29Å; W167-Y170 HydrophobicContact CE3-CD1 4.5Å; W167-Y170 HydrophobicContact CZ3-CD1 4.37Å; W167-L171 HydrophobicContact CE3-CD1 4.3Å; W167-L171 HydrophobicContact CE3-CD2 4.45Å; W167-L171 HydrophobicContact CE3-CG 4.14Å; W167-L171 HydrophobicContact CZ3-CD2 4.48Å; W167-L171 VanDerWaalsContact O-CB 3.29Å; W167-L171 WeakPolarHBondContact O-CB 3.4Å; W167-L171 WeakPolarHBondContact O-CD1 3.14Å; W167-L171 WeakPolarHBondContact O-CG 3.21Å; W167-L171 PolarHBondContact O-N 3.41Å
168	Q	95.4	Very high	91.8	Very high	108 Å²	108	77.6 Å²	77.6	51%	0.505	45%	0.447	S	S	.	.	H	α-helix	trans	-69.3	-43.9	-177.6	-174.9	53.1	78.5	0	0	111.1	D166 Q172	D166-Q168 VanDerWaalsContact C-N 3.33Å; D166-Q168 PolarHBondContact O-N 3.06Å; D166-Q168 WeakPolarHBondContact OD1-CA 3.26Å; D166-Q168 WeakPolarHBondContact OD1-CB 3.45Å; D166-Q168 PolarHBondContact OD1-N 3.16Å; Q168-Q172 VanDerWaalsContact O-CG 3.29Å; Q168-Q172 WeakPolarHBondContact O-CG 3.45Å; Q168-Q172 PolarHBondContact O-N 3.31Å
169	D	94.8	Very high	92.2	Very high	105 Å²	105	71.2 Å²	71.2	56%	0.561	42%	0.42	S	S	*	.	H	α-helix	trans	-71.6	-37.9	177	-67.7	-17.8	0	0	0	111.3	D166 Q172 S173	D166-D169 PolarHBondContact O-N 2.93Å; D169-Q172 PolarHBondContact O-N 2.82Å; D169-S173 WeakPolarHBondContact O-CB 3.16Å; D169-S173 PolarHBondContact O-N 2.62Å; D169-S173 PolarHBondContact O-OG 2.81Å
170	Y	96.4	Very high	92.6	Very high	29 Å²	29	69.7 Å²	69.7	11%	0.114	40%	0.395	C	S	.	.	H	α-helix	trans	-66.4	-42.4	176.8	-170.5	-116.6	0	0	0	112.6	K94 V108 D124 P157 H160 F165 D166 W167 S173 S174	K94-Y170 HydrophobicContact CD-CD1 4.15Å; K94-Y170 HydrophobicContact CD-CE1 3.72Å; V108-Y170 HydrophobicContact CG1-CD1 4.4Å; V108-Y170 HydrophobicContact CG1-CE1 3.88Å; D124-Y170 PolarHBondContact OD2-OH 3.23Å; D124-Y170 VanDerWaalsContact OD2-OH 3.08Å; P157-Y170 HydrophobicContact CB-CE2 4.38Å; P157-Y170 HydrophobicContact CG-CD2 4.49Å; P157-Y170 HydrophobicContact CG-CE1 3.85Å; P157-Y170 HydrophobicContact CG-CE2 3.85Å; H160-Y170 AromaticContact CE1-CE2 3.95Å; H160-Y170 AromaticContact NE2-CD2 3.79Å; H160-Y170 AromaticContact NE2-CE2 3.77Å; F165-Y170 AromaticContact CE2-CD1 3.74Å; F165-Y170 HydrophobicContact CE2-CD1 3.74Å; F165-Y170 AromaticContact CE2-CD2 3.94Å; F165-Y170 HydrophobicContact CE2-CD2 3.94Å; F165-Y170 HydrophobicContact CE2-CE1 4.39Å; F165-Y170 AromaticContact CE2-CG 3.5Å; F165-Y170 HydrophobicContact CE2-CG 3.5Å; F165-Y170 VanDerWaalsContact CE2-CG 3.5Å; F165-Y170 AromaticContact CZ-CD1 3.84Å; F165-Y170 HydrophobicContact CZ-CD1 3.84Å; F165-Y170 AromaticContact CZ-CG 3.96Å; F165-Y170 HydrophobicContact CZ-CG 3.96Å; D166-Y170 VanDerWaalsContact O-CB 3.26Å; D166-Y170 WeakPolarHBondContact O-CB 3.4Å; D166-Y170 PolarHBondContact O-N 3.36Å; W167-Y170 HydrophobicContact CE3-CD1 4.5Å; W167-Y170 HydrophobicContact CZ3-CD1 4.37Å; Y170-S173 WeakPolarHBondContact CA-OG 3.48Å; Y170-S173 PolarHBondContact O-OG 2.96Å; Y170-S174 VanDerWaalsContact O-CB 3.25Å; Y170-S174 WeakPolarHBondContact O-CB 3.33Å; Y170-S174 PolarHBondContact O-N 2.83Å; Y170-S174 PolarHBondContact O-OG 3.04Å
171	L	96.6	Very high	92.9	Very high	27 Å²	27	69.9 Å²	69.9	14%	0.141	40%	0.404	C	S	.	.	H	α-helix	trans	-65.2	-40.4	176.1	-71.7	166.4	0	0	0	112.1	K94 W167 G175 S176 A178	K94-L171 HydrophobicContact CB-CD2 4.27Å; K94-L171 HydrophobicContact CD-CD2 4.16Å; W167-L171 HydrophobicContact CE3-CD1 4.3Å; W167-L171 HydrophobicContact CE3-CD2 4.45Å; W167-L171 HydrophobicContact CE3-CG 4.14Å; W167-L171 HydrophobicContact CZ3-CD2 4.48Å; W167-L171 VanDerWaalsContact O-CB 3.29Å; W167-L171 WeakPolarHBondContact O-CB 3.4Å; W167-L171 WeakPolarHBondContact O-CD1 3.14Å; W167-L171 WeakPolarHBondContact O-CG 3.21Å; W167-L171 PolarHBondContact O-N 3.41Å; L171-G175 PolarHBondContact O-N 3.43Å; L171-G175 VanDerWaalsContact O-N 3.12Å; L171-S176 PolarHBondContact O-N 3.27Å; L171-A178 HydrophobicContact CD1-CB 3.98Å; L171-A178 HydrophobicContact CD2-CB 4.38Å
172	Q	95.7	Very high	93.2	Very high	131 Å²	131	72.9 Å²	72.9	61%	0.612	42%	0.421	S	S	*	.	H	α-helix	trans	-65.6	-50.2	176.2	-74.3	179.1	23.9	0	0	112	Q168 D169 S174 G175	Q168-Q172 VanDerWaalsContact O-CG 3.29Å; Q168-Q172 WeakPolarHBondContact O-CG 3.45Å; Q168-Q172 PolarHBondContact O-N 3.31Å; D169-Q172 PolarHBondContact O-N 2.82Å; Q172-S174 PolarHBondContact O-N 3.09Å; Q172-G175 PolarHBondContact O-N 3.04Å
173	S	94.3	Very high	93.9	Very high	93 Å²	93	69.7 Å²	69.7	65%	0.65	41%	0.407	S	S	*	.	H	α-helix	trans	-67.3	-33.1	-178.4	55.8	0	0	0	0	113.4	D169 Y170	D169-S173 WeakPolarHBondContact O-CB 3.16Å; D169-S173 PolarHBondContact O-N 2.62Å; D169-S173 PolarHBondContact O-OG 2.81Å; Y170-S173 WeakPolarHBondContact CA-OG 3.48Å; Y170-S173 PolarHBondContact O-OG 2.96Å
174	S	93.8	Very high	94.4	Very high	41 Å²	41	64.8 Å²	64.8	29%	0.287	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-1	174.7	65.4	0	0	0	0	114.5	K94 Y170 Q172 S176	K94-S174 WeakPolarHBondContact CE-OG 3.2Å; Y170-S174 VanDerWaalsContact O-CB 3.25Å; Y170-S174 WeakPolarHBondContact O-CB 3.33Å; Y170-S174 PolarHBondContact O-N 2.83Å; Y170-S174 PolarHBondContact O-OG 3.04Å; Q172-S174 PolarHBondContact O-N 3.09Å; S174-S176 PolarHBondContact O-N 3.03Å; S174-S176 VanDerWaalsContact O-N 3.12Å; S174-S176 PolarHBondContact O-OG 3.44Å; S174-S176 WeakPolarHBondContact OG-CB 3.5Å; S174-S176 PolarHBondContact OG-OG 3.24Å
175	G	94.6	Very high	94.4	Very high	73 Å²	73	60.1 Å²	60.1	75%	0.753	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	26.5	-177.9	0	0	0	0	0	114.1	L171 Q172	L171-G175 PolarHBondContact O-N 3.43Å; L171-G175 VanDerWaalsContact O-N 3.12Å; Q172-G175 PolarHBondContact O-N 3.04Å
176	S	95.6	Very high	93.3	Very high	29 Å²	29	64.6 Å²	64.6	20%	0.203	39%	0.389	C	S	.	.			trans	-111.9	167.7	-168.3	-62.8	0	0	0	0	112	K94 L171 S174	K94-S176 VanDerWaalsContact CE-CB 3.48Å; K94-S176 WeakPolarHBondContact CE-OG 3.34Å; L171-S176 PolarHBondContact O-N 3.27Å; S174-S176 PolarHBondContact O-N 3.03Å; S174-S176 VanDerWaalsContact O-N 3.12Å; S174-S176 PolarHBondContact O-OG 3.44Å; S174-S176 WeakPolarHBondContact OG-CB 3.5Å; S174-S176 PolarHBondContact OG-OG 3.24Å
177	L	96.5	Very high	92.4	Very high	130 Å²	130	65.5 Å²	65.5	68%	0.681	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.4	140.2	178.3	-62.9	177.5	0	0	0	110.8	M93 K94	M93-L177 CarbonylContact C-O 3.59Å; M93-L177 VanDerWaalsContact CA-O 3.3Å; M93-L177 WeakPolarHBondContact CA-O 3.44Å; K94-L177 PolarHBondContact N-O 3.29Å
178	A	97.7	Very high	90.8	Very high	35 Å²	35	70.6 Å²	70.6	29%	0.289	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	144.3	168.5	0	0	0	0	0	110.6	K94 A144 L171 P180	K94-A178 CarbonylContact O-C 3.54Å; K94-A178 WeakPolarHBondContact O-CA 3.35Å; A144-A178 HydrophobicContact CB-CB 3.82Å; L171-A178 HydrophobicContact CD1-CB 3.98Å; L171-A178 HydrophobicContact CD2-CB 4.38Å; A178-P180 WeakPolarHBondContact O-CD 3.36Å
179	A	97.3	Very high	89.7	Confident	1 Å²	1	69 Å²	69	1%	0.008	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-63	127	166.5	0	0	0	0	0	109.4	F89 M93 K94 L95 F184	F89-A179 HydrophobicContact CD1-CB 4.02Å; F89-A179 HydrophobicContact CE1-CB 3.75Å; M93-A179 HydrophobicContact CB-CB 4.2Å; M93-A179 HydrophobicContact SD-CB 4.3Å; K94-A179 PolarHBondContact O-N 3.37Å; L95-A179 HydrophobicContact CB-CB 4.26Å; L95-A179 HydrophobicContact CD2-CB 4.47Å; A179-F184 HydrophobicContact CB-CE2 3.78Å; A179-F184 HydrophobicContact CB-CZ 3.71Å
180	P	95.1	Very high	88.6	Confident	52 Å²	52	70.9 Å²	70.9	34%	0.338	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-59.8	138.2	-179.8	-26.8	34.8	0	0	0	112.7	A178 T182 L183 F184	A178-P180 WeakPolarHBondContact O-CD 3.36Å; P180-T182 PolarHBondContact O-N 2.62Å; P180-L183 HydrophobicContact CB-CG 4.37Å; P180-L183 WeakPolarHBondContact O-CB 3.39Å; P180-L183 WeakPolarHBondContact O-CG 3.48Å; P180-L183 PolarHBondContact O-N 3.19Å; P180-F184 WeakPolarHBondContact O-CD2 3.05Å; P180-F184 WeakPolarHBondContact O-CE2 3.36Å
181	P	93.5	Very high	87.7	Confident	94 Å²	94	70.6 Å²	70.6	61%	0.61	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-53.6	-26.4	177.6	-29.2	35.4	0	0	0	114.8	P143 L183 F184	P143-P181 HydrophobicContact CB-CB 4.16Å; P143-P181 HydrophobicContact CB-CG 3.93Å; P143-P181 HydrophobicContact CG-CB 4.29Å; P143-P181 HydrophobicContact CG-CG 4.43Å; P181-L183 PolarHBondContact O-N 2.96Å; P181-F184 PolarHBondContact O-N 3.38Å
182	T	91.9	Very high	87.4	Confident	109 Å²	109	75 Å²	75	67%	0.669	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-67.2	-10.6	177.4	53.3	0	0	0	0	114.9	P180	P180-T182 PolarHBondContact O-N 2.62Å
183	L	92.3	Very high	87.4	Confident	39 Å²	39	68.9 Å²	68.9	20%	0.204	43%	0.433	C	S	.	.	G	3₁₀ helix	trans	-86.1	-18.1	176	-57.8	-170.9	0	0	0	113.7	A88 F89 M93 P180 P181	A88-L183 HydrophobicContact CB-CD2 3.82Å; F89-L183 HydrophobicContact CB-CD1 4.5Å; F89-L183 HydrophobicContact CD1-CD1 3.82Å; F89-L183 HydrophobicContact CD2-CB 4.27Å; F89-L183 HydrophobicContact CD2-CD1 4.12Å; F89-L183 HydrophobicContact CE1-CB 4.09Å; F89-L183 HydrophobicContact CE1-CD1 4.02Å; F89-L183 HydrophobicContact CE2-CB 3.69Å; F89-L183 HydrophobicContact CE2-CD1 4.31Å; F89-L183 HydrophobicContact CG-CD1 3.88Å; F89-L183 HydrophobicContact CZ-CB 3.59Å; F89-L183 HydrophobicContact CZ-CD1 4.26Å; M93-L183 HydrophobicContact SD-CD1 4.22Å; P180-L183 HydrophobicContact CB-CG 4.37Å; P180-L183 WeakPolarHBondContact O-CB 3.39Å; P180-L183 WeakPolarHBondContact O-CG 3.48Å; P180-L183 PolarHBondContact O-N 3.19Å; P181-L183 PolarHBondContact O-N 2.96Å
184	F	91.7	Very high	87.4	Confident	26 Å²	26	70.6 Å²	70.6	11%	0.114	43%	0.431	C	S	.	.	S	Bend	trans	-92.2	143.7	-171.8	-62.8	-93.7	0	0	0	111.8	F89 L95 I141 R142 P143 A179 P180 P181 C186	F89-F184 HydrophobicContact CE1-CE1 4.12Å; F89-F184 HydrophobicContact CE1-CE2 4.26Å; F89-F184 AromaticContact CE1-CZ 3.84Å; F89-F184 HydrophobicContact CE1-CZ 3.84Å; F89-F184 HydrophobicContact CZ-CD1 4.29Å; F89-F184 HydrophobicContact CZ-CE1 4.05Å; F89-F184 HydrophobicContact CZ-CE2 4.37Å; F89-F184 HydrophobicContact CZ-CZ 4.1Å; L95-F184 HydrophobicContact CB-CE1 4.21Å; L95-F184 HydrophobicContact CB-CZ 3.8Å; L95-F184 HydrophobicContact CD2-CE1 4.32Å; L95-F184 HydrophobicContact CD2-CZ 4.26Å; I141-F184 HydrophobicContact CB-CD1 4.38Å; I141-F184 HydrophobicContact CB-CE1 4.11Å; I141-F184 HydrophobicContact CD1-CD1 4.21Å; I141-F184 HydrophobicContact CD1-CE1 4.13Å; I141-F184 HydrophobicContact CG1-CD1 4.03Å; I141-F184 HydrophobicContact CG1-CE1 4.13Å; R142-F184 VanDerWaalsContact O-CE1 3.29Å; R142-F184 WeakPolarHBondContact O-CE1 3.27Å; R142-F184 WeakPolarHBondContact O-CZ 2.88Å; P143-F184 HydrophobicContact CB-CD2 3.95Å; P143-F184 HydrophobicContact CB-CE2 3.74Å; P143-F184 HydrophobicContact CB-CZ 4.31Å; P143-F184 HydrophobicContact CG-CD2 4.32Å; A179-F184 HydrophobicContact CB-CE2 3.78Å; A179-F184 HydrophobicContact CB-CZ 3.71Å; P180-F184 WeakPolarHBondContact O-CD2 3.05Å; P180-F184 WeakPolarHBondContact O-CE2 3.36Å; P181-F184 PolarHBondContact O-N 3.38Å; F184-C186 PolarHBondContact O-N 2.96Å
185	T	85.8	Confident	87.6	Confident	57 Å²	57	73 Å²	73	35%	0.35	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-72.8	118.6	172.5	-55.6	0	0	0	0	109.7	D137 R187	D137-T185 VanDerWaalsContact CA-OG1 3.27Å; D137-T185 WeakPolarHBondContact CA-OG1 3.44Å; D137-T185 VanDerWaalsContact CB-OG1 3.28Å; D137-T185 WeakPolarHBondContact CB-OG1 3.34Å; D137-T185 WeakPolarHBondContact O-CB 3.46Å; D137-T185 PolarHBondContact O-OG1 3.37Å; T185-R187 HydrophobicContact CG2-CG 4.44Å
186	C	71.4	Confident	87.7	Confident	115 Å²	115	71.1 Å²	71.1	78%	0.777	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-100.8	124	169.9	-175.4	0	0	0	0	109.5	F184	F184-C186 PolarHBondContact O-N 2.96Å
187	R	73.8	Confident	87.8	Confident	64 Å²	64	70.7 Å²	70.7	24%	0.242	42%	0.42	C	S	.	.			trans	-106.5	133	169.4	-64	-174	179.2	-170.2	1.5	108	D79 T185 N220 D221	D79-R187 IonicContact OD1-CZ 3.58Å; D79-R187 IonicContact OD1-NH2 3.84Å; D79-R187 PolarHBondContact OD1-NH2 3.14Å; D79-R187 IonicContact OD2-CZ 2.78Å; D79-R187 IonicContact OD2-NH2 3.9Å; D79-R187 PolarHBondContact OD2-NH2 3.06Å; T185-R187 HydrophobicContact CG2-CG 4.44Å; R187-N220 HydrophobicContact CB-CB 4.28Å; R187-N220 PolarHBondContact O-ND2 3.08Å; R187-N220 PolarHBondContact O-OD1 3.43Å; R187-D221 WeakPolarHBondContact CD-OD1 3.46Å; R187-D221 WeakPolarHBondContact CD-OD2 3.25Å; R187-D221 IonicContact CZ-OD2 3.89Å; R187-D221 IonicContact NH1-OD2 3.28Å; R187-D221 PolarHBondContact NH1-OD2 2.84Å
188	S	62.9	Low	87.9	Confident	124 Å²	124	65 Å²	65	87%	0.867	39%	0.389	S	S	*	.			trans	-123.6	71.9	178.1	-165.8	0	0	0	0	108.8
189	T	72.2	Confident	88	Confident	75 Å²	75	63.3 Å²	63.3	46%	0.46	38%	0.375	S	S	.	.			trans	-128	137.7	179.4	26.3	0	0	0	0	106.6	N220 D221	T189-N220 CarbonylContact O-C 3.6Å; T189-N220 WeakPolarHBondContact O-CA 3.35Å; T189-D221 PolarHBondContact O-N 3.27Å; T189-D221 WeakPolarHBondContact OG1-CB 3.07Å
190	V	71.9	Confident	88	Confident	145 Å²	145	63.3 Å²	63.3	88%	0.879	38%	0.375	S	S	*	.			trans	-97	128.9	-174.1	-176.4	0	0	0	0	108.6
191	C	78.1	Confident	88.2	Confident	22 Å²	22	60.9 Å²	60.9	15%	0.149	36%	0.359	C	S	.	.			trans	-83.2	140.4	171	-154.9	0	0	0	0	110.7	F193 V218 N220	C191-F193 VanDerWaalsContact C-N 3.33Å; C191-V218 HydrophobicContact CB-CG1 3.9Å; C191-N220 WeakPolarHBondContact CB-O 3.43Å; C191-N220 PolarHBondContact N-O 3.34Å
192	E	88.9	Confident	88.4	Confident	119 Å²	119	57.2 Å²	57.2	56%	0.556	34%	0.335	S	S	*	.	S	Bend	trans	-77.6	-20.6	170.2	-68.9	-168.5	178.3	0	0	112.5	A288	E192-A288 HydrophobicContact CB-CB 3.75Å
193	F	95.4	Very high	88.6	Confident	4 Å²	4	52.4 Å²	52.4	2%	0.018	31%	0.305	C	S	.	.			trans	-71.7	144.2	176.2	-66.4	-100.1	0	0	0	111.1	C191 V215 F223 I245 A284 A288 F289	C191-F193 VanDerWaalsContact C-N 3.33Å; F193-V215 HydrophobicContact CB-CG2 4.36Å; F193-V215 HydrophobicContact CD1-CG2 4.06Å; F193-F223 HydrophobicContact CB-CD1 4.02Å; F193-F223 HydrophobicContact CB-CE1 4.27Å; F193-F223 HydrophobicContact CB-CG 4.18Å; F193-F223 HydrophobicContact CD1-CD2 4.5Å; F193-F223 AromaticContact CD1-CE1 4Å; F193-F223 HydrophobicContact CD1-CE1 4Å; F193-F223 AromaticContact CD1-CE2 3.98Å; F193-F223 HydrophobicContact CD1-CE2 3.98Å; F193-F223 AromaticContact CD1-CZ 3.68Å; F193-F223 HydrophobicContact CD1-CZ 3.68Å; F193-F223 AromaticContact CD2-CD1 3.92Å; F193-F223 HydrophobicContact CD2-CD1 3.92Å; F193-F223 AromaticContact CD2-CE1 3.42Å; F193-F223 HydrophobicContact CD2-CE1 3.42Å; F193-F223 VanDerWaalsContact CD2-CE1 3.42Å; F193-F223 AromaticContact CD2-CZ 3.93Å; F193-F223 HydrophobicContact CD2-CZ 3.93Å; F193-F223 HydrophobicContact CE1-CE1 4.17Å; F193-F223 HydrophobicContact CE1-CE2 4.19Å; F193-F223 AromaticContact CE1-CZ 3.64Å; F193-F223 HydrophobicContact CE1-CZ 3.64Å; F193-F223 AromaticContact CE2-CE1 3.62Å; F193-F223 HydrophobicContact CE2-CE1 3.62Å; F193-F223 AromaticContact CE2-CZ 3.89Å; F193-F223 HydrophobicContact CE2-CZ 3.89Å; F193-F223 AromaticContact CG-CD1 3.9Å; F193-F223 HydrophobicContact CG-CD1 3.9Å; F193-F223 AromaticContact CG-CE1 3.63Å; F193-F223 HydrophobicContact CG-CE1 3.63Å; F193-F223 HydrophobicContact CG-CE2 4.32Å; F193-F223 HydrophobicContact CG-CG 4.34Å; F193-F223 AromaticContact CG-CZ 3.83Å; F193-F223 HydrophobicContact CG-CZ 3.83Å; F193-F223 HydrophobicContact CZ-CE1 4Å; F193-F223 AromaticContact CZ-CZ 3.76Å; F193-F223 HydrophobicContact CZ-CZ 3.76Å; F193-I245 HydrophobicContact CZ-CD1 4.44Å; F193-A284 HydrophobicContact CD1-CB 3.85Å; F193-A284 HydrophobicContact CE1-CB 3.65Å; F193-A288 HydrophobicContact CD2-CB 4.11Å; F193-A288 HydrophobicContact CE2-CB 3.64Å; F193-A288 WeakPolarHBondContact CE2-O 3.39Å; F193-A288 HydrophobicContact CZ-CB 3.96Å; F193-F289 AromaticContact CE1-CE1 3.99Å; F193-F289 HydrophobicContact CE1-CE1 3.99Å; F193-F289 HydrophobicContact CE1-CE2 4.03Å; F193-F289 AromaticContact CE1-CZ 3.68Å; F193-F289 HydrophobicContact CE1-CZ 3.68Å; F193-F289 HydrophobicContact CZ-CD1 4.06Å; F193-F289 HydrophobicContact CZ-CD2 4.16Å; F193-F289 AromaticContact CZ-CE1 3.91Å; F193-F289 HydrophobicContact CZ-CE1 3.91Å; F193-F289 HydrophobicContact CZ-CE2 4.02Å; F193-F289 HydrophobicContact CZ-CG 4.19Å; F193-F289 AromaticContact CZ-CZ 3.9Å; F193-F289 HydrophobicContact CZ-CZ 3.9Å
194	Q	95.6	Very high	88.6	Confident	128 Å²	128	54.7 Å²	54.7	60%	0.598	31%	0.314	S	S	*	.			trans	-131.3	148.6	-179.3	-58.2	179.1	19.8	0	0	110.1	G196 M197 V215	Q194-G196 PolarHBondContact O-N 3.45Å; Q194-M197 HydrophobicContact CB-CE 3.94Å; Q194-M197 HydrophobicContact CB-CG 4.29Å; Q194-M197 HydrophobicContact CB-SD 4.09Å; Q194-M197 HydrophobicContact CG-CE 3.89Å; Q194-M197 HydrophobicContact CG-SD 4.46Å; Q194-M197 PolarHBondContact N-SD 3.39Å; Q194-M197 WeakPolarHBondContact O-CB 3.47Å; Q194-M197 WeakPolarHBondContact O-CG 3.48Å; Q194-M197 PolarHBondContact O-N 3.08Å; Q194-M197 VanDerWaalsContact O-N 3.07Å; Q194-V215 WeakPolarHBondContact O-CB 3.37Å
195	V	96.6	Very high	88.4	Confident	93 Å²	93	56.6 Å²	56.6	56%	0.564	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	131.5	176.5	179.7	0	0	0	0	110.5	V215 A216 V218	V195-V215 WeakPolarHBondContact CA-O 3.41Å; V195-A216 WeakPolarHBondContact CG1-O 3.45Å; V195-V218 HydrophobicContact CG2-CG2 3.97Å
196	G	97.2	Very high	88.7	Confident	33 Å²	33	56.8 Å²	56.8	34%	0.34	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.6	-4.6	-176	0	0	0	0	0	115.4	Q194 V215	Q194-G196 PolarHBondContact O-N 3.45Å; G196-V215 PolarHBondContact N-O 3.42Å
197	M	98.4	Very high	89.6	Confident	20 Å²	20	54.4 Å²	54.4	10%	0.099	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	142.6	167.4	-72.3	-179.7	171.1	0	0	110.9	Q194 S214 V215 T282 A284	Q194-M197 HydrophobicContact CB-CE 3.94Å; Q194-M197 HydrophobicContact CB-CG 4.29Å; Q194-M197 HydrophobicContact CB-SD 4.09Å; Q194-M197 HydrophobicContact CG-CE 3.89Å; Q194-M197 HydrophobicContact CG-SD 4.46Å; Q194-M197 PolarHBondContact N-SD 3.39Å; Q194-M197 WeakPolarHBondContact O-CB 3.47Å; Q194-M197 WeakPolarHBondContact O-CG 3.48Å; Q194-M197 PolarHBondContact O-N 3.08Å; Q194-M197 VanDerWaalsContact O-N 3.07Å; M197-S214 CarbonylContact O-C 3.4Å; M197-S214 WeakPolarHBondContact O-CA 3.32Å; M197-V215 HydrophobicContact CB-CG2 4.1Å; M197-V215 PolarHBondContact O-N 3.07Å; M197-T282 CarbonylContact C-O 3.41Å; M197-T282 VanDerWaalsContact CA-O 3.27Å; M197-T282 WeakPolarHBondContact CA-O 3.27Å; M197-A284 HydrophobicContact CB-CB 4.16Å; M197-A284 HydrophobicContact SD-CB 4.31Å
198	K	98.6	Very high	90.4	Very high	10 Å²	10	54.8 Å²	54.8	4%	0.043	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	148.9	176.1	-61.8	-163.5	178.9	-68.8	0	112.9	A213 S214 D228 W272 Y275 L276 T279 S281 T282 A284	K198-A213 CarbonylContact C-O 3.52Å; K198-A213 WeakPolarHBondContact CA-O 3.19Å; K198-S214 PolarHBondContact NZ-OG 2.94Å; K198-D228 IonicContact NZ-OD1 3.93Å; K198-D228 IonicContact NZ-OD2 3.8Å; K198-D228 PolarHBondContact NZ-OD2 3.08Å; K198-W272 HydrophobicContact CB-CH2 4.27Å; K198-W272 HydrophobicContact CB-CZ3 3.92Å; K198-W272 HydrophobicContact CD-CZ3 4.01Å; K198-Y275 HydrophobicContact CD-CD1 4.02Å; K198-Y275 HydrophobicContact CD-CE1 3.78Å; K198-L276 HydrophobicContact CB-CD2 4.12Å; K198-L276 HydrophobicContact CD-CD2 4.02Å; K198-L276 HydrophobicContact CG-CD2 4.24Å; K198-T279 WeakPolarHBondContact CE-OG1 3.44Å; K198-S281 WeakPolarHBondContact CE-OG 3.33Å; K198-T282 PolarHBondContact N-O 3.19Å; K198-A284 PolarHBondContact O-N 3.18Å
199	L	98.7	Very high	91.9	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	173.6	-179.1	61.8	122	0	0	0	111.2	A201 A213 V215 F223 V225 I245 A284 F289	L199-A201 HydrophobicContact CD1-CB 4.05Å; L199-A213 HydrophobicContact CG-CB 4.42Å; L199-A213 PolarHBondContact N-O 3.05Å; L199-A213 PolarHBondContact O-N 3.23Å; L199-A213 VanDerWaalsContact O-O 3.08Å; L199-V215 HydrophobicContact CD2-CG2 3.57Å; L199-F223 HydrophobicContact CD2-CE2 4.32Å; L199-V225 HydrophobicContact CD1-CG2 4.4Å; L199-I245 HydrophobicContact CD1-CB 3.96Å; L199-I245 HydrophobicContact CD1-CG2 3.74Å; L199-A284 HydrophobicContact CB-CB 4.44Å; L199-F289 HydrophobicContact CB-CZ 4.09Å
200	E	98.7	Very high	93.1	Very high	1 Å²	1	49 Å²	49	1%	0.005	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	129.3	170.8	-71.7	178	-162.7	0	0	109.5	V210 C211 I245 H246 G249 W250 C251 L258 W272	E200-V210 HydrophobicContact CB-CG1 3.98Å; E200-C211 WeakPolarHBondContact CA-O 3.15Å; E200-I245 CarbonylContact O-C 3.09Å; E200-H246 HydrophobicContact CB-CB 4.17Å; E200-H246 PolarHBondContact N-O 3.45Å; E200-H246 PolarHBondContact O-N 3.18Å; E200-G249 WeakPolarHBondContact OE1-CA 3.14Å; E200-G249 PolarHBondContact OE1-N 3.19Å; E200-W250 PolarHBondContact OE1-N 3.42Å; E200-W250 PolarHBondContact OE2-N 2.8Å; E200-C251 WeakPolarHBondContact OE2-CB 3.25Å; E200-C251 PolarHBondContact OE2-N 3.47Å; E200-L258 HydrophobicContact CG-CD1 3.87Å; E200-W272 HydrophobicContact CG-CZ2 3.58Å; E200-W272 PolarHBondContact OE1-NE1 3.06Å
201	A	98.6	Very high	94.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	145.1	-173.2	0	0	0	0	0	112.9	L199 V210 C211 A213 V225 F227 Y244	L199-A201 HydrophobicContact CD1-CB 4.05Å; A201-V210 CarbonylContact O-C 3.5Å; A201-V210 WeakPolarHBondContact O-CA 3.36Å; A201-C211 PolarHBondContact N-O 2.96Å; A201-C211 PolarHBondContact O-N 3.42Å; A201-A213 HydrophobicContact CB-CB 3.66Å; A201-V225 HydrophobicContact CB-CG1 3.57Å; A201-F227 HydrophobicContact CB-CE1 3.78Å; A201-F227 HydrophobicContact CB-CZ 4.04Å; A201-Y244 WeakPolarHBondContact CA-O 3.25Å
202	V	97.9	Very high	95.3	Very high	17 Å²	17	41.6 Å²	41.6	10%	0.103	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	125.2	173.6	178.9	0	0	0	0	109.7	K204 P207 L209 V210 Y236 Y244	V202-K204 PolarHBondContact O-N 3.37Å; V202-K204 VanDerWaalsContact O-N 3.13Å; V202-P207 HydrophobicContact CG1-CB 4.41Å; V202-L209 WeakPolarHBondContact CA-O 3.49Å; V202-V210 HydrophobicContact CG2-CG2 4.31Å; V202-Y236 WeakPolarHBondContact O-CE1 3.47Å; V202-Y236 PolarHBondContact O-OH 3.48Å; V202-Y244 HydrophobicContact CB-CD1 4.01Å; V202-Y244 HydrophobicContact CG1-CD1 4.16Å; V202-Y244 HydrophobicContact CG2-CD1 4.26Å; V202-Y244 PolarHBondContact N-O 2.84Å
203	D	95.3	Very high	95.8	Very high	9 Å²	9	36 Å²	36	5%	0.048	21%	0.212	C	C	.	.			trans	-67.6	111.4	170.7	177.9	-1.3	0	0	0	109.8	K205 N206 P207 L209 F227	D203-K205 PolarHBondContact O-N 3.34Å; D203-K205 WeakPolarHBondContact OD1-CA 3.34Å; D203-K205 WeakPolarHBondContact OD1-CB 3.01Å; D203-K205 PolarHBondContact OD1-N 2.7Å; D203-N206 HydrophobicContact CB-CB 4.27Å; D203-N206 CarbonylContact O-C 3.55Å; D203-N206 PolarHBondContact O-N 3.01Å; D203-N206 PolarHBondContact OD1-N 3.45Å; D203-N206 WeakPolarHBondContact OD2-CB 3.48Å; D203-N206 PolarHBondContact OD2-ND2 3.11Å; D203-P207 VanDerWaalsContact O-CA 3.28Å; D203-P207 WeakPolarHBondContact O-CA 3.45Å; D203-L209 HydrophobicContact CB-CB 4.48Å; D203-L209 PolarHBondContact N-O 3.23Å; D203-L209 VanDerWaalsContact N-O 3.16Å; D203-F227 HydrophobicContact CB-CE1 4.48Å; D203-F227 HydrophobicContact CB-CZ 4.16Å
204	K	92	Very high	96	Very high	86 Å²	86	36.5 Å²	36.5	37%	0.374	22%	0.217	S	C	.	.	S	Bend	trans	-64.3	-21.8	178.9	-71.7	-160.8	174	-157.3	0	113.7	V202 Y236 D343	V202-K204 PolarHBondContact O-N 3.37Å; V202-K204 VanDerWaalsContact O-N 3.13Å; K204-Y236 HydrophobicContact CD-CD1 4.32Å; K204-Y236 HydrophobicContact CD-CD2 4.49Å; K204-Y236 HydrophobicContact CD-CG 4.25Å; K204-Y236 HydrophobicContact CG-CD1 4.07Å; K204-Y236 HydrophobicContact CG-CE1 4.07Å; K204-Y236 HydrophobicContact CG-CG 4.49Å; K204-D343 IonicContact NZ-OD2 2.78Å; K204-D343 PolarHBondContact NZ-OD2 3.45Å
205	K	89.1	Confident	96.1	Very high	66 Å²	66	30.4 Å²	30.4	29%	0.287	19%	0.188	S	C	.	.	S	Bend	trans	-82.4	-29.2	172.4	-60.5	-179.3	-171.7	166.6	0	111.9	D203 T233 Y234 L429	D203-K205 PolarHBondContact O-N 3.34Å; D203-K205 WeakPolarHBondContact OD1-CA 3.34Å; D203-K205 WeakPolarHBondContact OD1-CB 3.01Å; D203-K205 PolarHBondContact OD1-N 2.7Å; K205-T233 WeakPolarHBondContact CE-O 3.33Å; K205-T233 PolarHBondContact NZ-O 3.17Å; K205-T233 PolarHBondContact NZ-OG1 3.33Å; K205-Y234 HydrophobicContact CB-CE1 4.45Å; K205-Y234 HydrophobicContact CD-CD1 3.73Å; K205-Y234 HydrophobicContact CD-CE1 3.74Å; K205-Y234 HydrophobicContact CD-CG 4.4Å; K205-Y234 HydrophobicContact CG-CD1 4.45Å; K205-L429 HydrophobicContact CB-CD2 4.46Å; K205-L429 HydrophobicContact CD-CD2 4.21Å
206	N	91.5	Very high	96.1	Very high	61 Å²	61	28 Å²	28	33%	0.326	18%	0.178	S	C	.	.	S	Bend	trans	-128.1	71.1	177.2	-58.7	-79.5	0	0	0	111.6	D203 G208 L209	D203-N206 HydrophobicContact CB-CB 4.27Å; D203-N206 CarbonylContact O-C 3.55Å; D203-N206 PolarHBondContact O-N 3.01Å; D203-N206 PolarHBondContact OD1-N 3.45Å; D203-N206 WeakPolarHBondContact OD2-CB 3.48Å; D203-N206 PolarHBondContact OD2-ND2 3.11Å; N206-G208 PolarHBondContact O-N 3.23Å; N206-L209 HydrophobicContact CB-CD1 3.88Å; N206-L209 HydrophobicContact CB-CG 4.15Å; N206-L209 PolarHBondContact O-N 3.08Å
207	P	89.7	Confident	96.1	Very high	65 Å²	65	27.9 Å²	27.9	42%	0.422	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-1.9	-167.3	-25.2	36.2	0	0	0	117.1	V202 D203	V202-P207 HydrophobicContact CG1-CB 4.41Å; D203-P207 VanDerWaalsContact O-CA 3.28Å; D203-P207 WeakPolarHBondContact O-CA 3.45Å
208	G	91.3	Very high	95.9	Very high	72 Å²	72	28.9 Å²	28.9	74%	0.742	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-9.9	169.1	0	0	0	0	0	114.1	N206	N206-G208 PolarHBondContact O-N 3.23Å
209	L	94.9	Very high	95.5	Very high	73 Å²	73	28.9 Å²	28.9	38%	0.382	18%	0.177	S	C	.	.			trans	-102.5	131.2	-179.9	-57.4	-178.8	0	0	0	110.8	V202 D203 N206	V202-L209 WeakPolarHBondContact CA-O 3.49Å; D203-L209 HydrophobicContact CB-CB 4.48Å; D203-L209 PolarHBondContact N-O 3.23Å; D203-L209 VanDerWaalsContact N-O 3.16Å; N206-L209 HydrophobicContact CB-CD1 3.88Å; N206-L209 HydrophobicContact CB-CG 4.15Å; N206-L209 PolarHBondContact O-N 3.08Å
210	V	97.5	Very high	95	Very high	6 Å²	6	31.9 Å²	31.9	4%	0.036	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	134.2	159.3	-170.6	0	0	0	0	106.5	E200 A201 V202 W250 L258 T259	E200-V210 HydrophobicContact CB-CG1 3.98Å; A201-V210 CarbonylContact O-C 3.5Å; A201-V210 WeakPolarHBondContact O-CA 3.36Å; V202-V210 HydrophobicContact CG2-CG2 4.31Å; V210-W250 HydrophobicContact CG2-CZ3 4.24Å; V210-L258 HydrophobicContact CG1-CD1 4.49Å; V210-T259 WeakPolarHBondContact O-CB 3.27Å; V210-T259 PolarHBondContact O-N 3.04Å; V210-T259 PolarHBondContact O-OG1 3.08Å
211	C	98.1	Very high	94.6	Very high	8 Å²	8	33.6 Å²	33.6	5%	0.054	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	157.4	-169.1	-52.6	0	0	0	0	111.6	E200 A201 A213 F227 T259	E200-C211 WeakPolarHBondContact CA-O 3.15Å; A201-C211 PolarHBondContact N-O 2.96Å; A201-C211 PolarHBondContact O-N 3.42Å; C211-A213 PolarHBondContact O-N 3.43Å; C211-F227 HydrophobicContact CB-CD1 3.54Å; C211-F227 HydrophobicContact CB-CE1 3.69Å; C211-T259 WeakPolarHBondContact CA-O 3.4Å
212	V	98.3	Very high	94.4	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.018	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	125.9	165.9	173.5	0	0	0	0	109.4	D228 L258 T259 P261 F270 W272 Y275	V212-D228 HydrophobicContact CG1-CB 4.12Å; V212-D228 PolarHBondContact O-N 2.77Å; V212-L258 HydrophobicContact CG2-CD1 4.22Å; V212-L258 HydrophobicContact CG2-CD2 3.92Å; V212-L258 HydrophobicContact CG2-CG 4.06Å; V212-T259 PolarHBondContact N-O 3.2Å; V212-P261 HydrophobicContact CB-CG 4.06Å; V212-P261 HydrophobicContact CG1-CG 3.75Å; V212-F270 HydrophobicContact CG1-CZ 4.33Å; V212-F270 HydrophobicContact CG2-CD1 4.33Å; V212-F270 HydrophobicContact CG2-CE1 3.63Å; V212-F270 HydrophobicContact CG2-CE2 4.08Å; V212-F270 HydrophobicContact CG2-CZ 3.48Å; V212-F270 VanDerWaalsContact CG2-CZ 3.48Å; V212-W272 HydrophobicContact CB-CH2 4.11Å; V212-W272 HydrophobicContact CB-CZ2 4.38Å; V212-W272 HydrophobicContact CG1-CH2 3.63Å; V212-W272 HydrophobicContact CG1-CZ2 4.36Å; V212-W272 HydrophobicContact CG1-CZ3 3.95Å; V212-W272 HydrophobicContact CG2-CH2 3.95Å; V212-W272 HydrophobicContact CG2-CZ2 3.83Å; V212-Y275 HydrophobicContact CG1-CD1 4.17Å; V212-Y275 HydrophobicContact CG1-CE1 3.69Å
213	A	98.6	Very high	94.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	160.2	-175.8	0	0	0	0	0	112.4	K198 L199 A201 C211 V225 H226 F227	K198-A213 CarbonylContact C-O 3.52Å; K198-A213 WeakPolarHBondContact CA-O 3.19Å; L199-A213 HydrophobicContact CG-CB 4.42Å; L199-A213 PolarHBondContact N-O 3.05Å; L199-A213 PolarHBondContact O-N 3.23Å; L199-A213 VanDerWaalsContact O-O 3.08Å; A201-A213 HydrophobicContact CB-CB 3.66Å; C211-A213 PolarHBondContact O-N 3.43Å; A213-V225 HydrophobicContact CB-CG1 3.92Å; A213-H226 CarbonylContact C-O 3.59Å; A213-H226 WeakPolarHBondContact CA-O 3.46Å; A213-H226 VanDerWaalsContact CB-O 3.25Å; A213-H226 WeakPolarHBondContact CB-O 3.38Å; A213-F227 HydrophobicContact CB-CD1 4.26Å; A213-F227 HydrophobicContact CB-CE1 4.49Å
214	S	98.5	Very high	94.4	Very high	15 Å²	15	34.7 Å²	34.7	11%	0.105	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	151.5	177.5	-60.4	0	0	0	0	111.3	M197 K198 A216 H226 D228	M197-S214 CarbonylContact O-C 3.4Å; M197-S214 WeakPolarHBondContact O-CA 3.32Å; K198-S214 PolarHBondContact NZ-OG 2.94Å; S214-A216 PolarHBondContact O-N 3.46Å; S214-H226 PolarHBondContact N-O 2.96Å; S214-H226 PolarHBondContact O-N 3.41Å; S214-D228 VanDerWaalsContact CB-OD1 3.3Å; S214-D228 WeakPolarHBondContact CB-OD1 3.43Å; S214-D228 PolarHBondContact N-OD1 3.3Å; S214-D228 VanDerWaalsContact OG-CG 3.32Å; S214-D228 PolarHBondContact OG-OD1 3.38Å; S214-D228 PolarHBondContact OG-OD2 2.8Å
215	V	98.3	Very high	94.7	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.006	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	109.6	166.2	-178.9	0	0	0	0	108.4	F193 Q194 V195 G196 M197 L199 V218 F223 L224	F193-V215 HydrophobicContact CB-CG2 4.36Å; F193-V215 HydrophobicContact CD1-CG2 4.06Å; Q194-V215 WeakPolarHBondContact O-CB 3.37Å; V195-V215 WeakPolarHBondContact CA-O 3.41Å; G196-V215 PolarHBondContact N-O 3.42Å; M197-V215 HydrophobicContact CB-CG2 4.1Å; M197-V215 PolarHBondContact O-N 3.07Å; L199-V215 HydrophobicContact CD2-CG2 3.57Å; V215-V218 HydrophobicContact CG1-CG2 3.66Å; V215-F223 HydrophobicContact CG1-CB 4Å; V215-F223 HydrophobicContact CG1-CD2 4.23Å; V215-F223 HydrophobicContact CG1-CG 4.47Å; V215-F223 HydrophobicContact CG2-CD2 3.98Å; V215-F223 HydrophobicContact CG2-CE2 4.27Å; V215-L224 WeakPolarHBondContact CA-O 3.49Å
216	A	97	Very high	95.2	Very high	42 Å²	42	29.6 Å²	29.6	35%	0.347	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-32.1	-177.9	0	0	0	0	0	113.7	V195 S214 L224 H226	V195-A216 WeakPolarHBondContact CG1-O 3.45Å; S214-A216 PolarHBondContact O-N 3.46Å; A216-L224 HydrophobicContact CB-CB 4.45Å; A216-L224 HydrophobicContact CB-CD2 4.01Å; A216-L224 HydrophobicContact CB-CG 4.21Å; A216-L224 PolarHBondContact N-O 2.91Å; A216-H226 HydrophobicContact CB-CB 3.64Å
217	D	96.2	Very high	95.5	Very high	31 Å²	31	26.9 Å²	26.9	17%	0.166	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	158	-179.7	-159.6	-2	0	0	0	110.6	H152 F223 L224 W237	H152-D217 IonicContact CE1-OD1 3.23Å; H152-D217 PolarHBondContact CE1-OD1 3.41Å; H152-D217 IonicContact CE1-OD2 3.59Å; H152-D217 PolarHBondContact CE1-OD2 2.86Å; H152-D217 VanDerWaalsContact CE1-OD2 3.23Å; H152-D217 IonicContact ND1-OD1 2.73Å; H152-D217 PolarHBondContact ND1-OD1 3.13Å; H152-D217 IonicContact ND1-OD2 3.66Å; H152-D217 PolarHBondContact ND1-OD2 3Å; D217-F223 CarbonylContact O-C 3.54Å; D217-F223 VanDerWaalsContact O-CA 3.3Å; D217-F223 WeakPolarHBondContact O-CA 3.36Å; D217-F223 WeakPolarHBondContact O-CB 3.1Å; D217-L224 HydrophobicContact CB-CB 3.96Å; D217-L224 HydrophobicContact CB-CD2 4.16Å; D217-L224 PolarHBondContact O-N 2.91Å; D217-W237 HydrophobicContact CB-CH2 3.74Å; D217-W237 HydrophobicContact CB-CZ2 4.24Å
218	V	94.3	Very high	95.8	Very high	41 Å²	41	24.1 Å²	24.1	25%	0.248	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	123.3	-178.7	-177.3	0	0	0	0	110.2	C191 V195 V215 F223	C191-V218 HydrophobicContact CB-CG1 3.9Å; V195-V218 HydrophobicContact CG2-CG2 3.97Å; V215-V218 HydrophobicContact CG1-CG2 3.66Å; V218-F223 HydrophobicContact CG2-CB 4.01Å
219	I	91.1	Very high	95.9	Very high	9 Å²	9	25.5 Å²	25.5	5%	0.046	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	109.3	179.2	-56.7	169.9	0	0	0	109.7	F106 W146 D221 R222 W237	F106-I219 HydrophobicContact CE1-CD1 4.44Å; F106-I219 HydrophobicContact CE2-CD1 4.06Å; F106-I219 HydrophobicContact CZ-CD1 3.44Å; F106-I219 VanDerWaalsContact CZ-CD1 3.44Å; W146-I219 HydrophobicContact CH2-CD1 3.72Å; W146-I219 HydrophobicContact CH2-CG1 4.04Å; W146-I219 HydrophobicContact CH2-CG2 3.97Å; W146-I219 HydrophobicContact CZ2-CG2 3.95Å; W146-I219 HydrophobicContact CZ3-CD1 4.31Å; I219-D221 PolarHBondContact O-N 3.28Å; I219-R222 CarbonylContact C-O 3.58Å; I219-R222 PolarHBondContact N-O 2.81Å; I219-R222 PolarHBondContact O-N 2.78Å; I219-W237 HydrophobicContact CB-CH2 4.25Å; I219-W237 HydrophobicContact CB-CZ3 4.05Å; I219-W237 HydrophobicContact CD1-CH2 3.31Å; I219-W237 HydrophobicContact CD1-CZ2 3.8Å; I219-W237 HydrophobicContact CD1-CZ3 3.95Å; I219-W237 HydrophobicContact CG1-CH2 3.6Å; I219-W237 HydrophobicContact CG1-CZ3 3.92Å
220	N	88.7	Confident	95.8	Very high	64 Å²	64	26.2 Å²	26.2	34%	0.342	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	-118.4	-176.7	-48.8	-39.7	0	0	0	111.8	R187 T189 C191	R187-N220 HydrophobicContact CB-CB 4.28Å; R187-N220 PolarHBondContact O-ND2 3.08Å; R187-N220 PolarHBondContact O-OD1 3.43Å; T189-N220 CarbonylContact O-C 3.6Å; T189-N220 WeakPolarHBondContact O-CA 3.35Å; C191-N220 WeakPolarHBondContact CB-O 3.43Å; C191-N220 PolarHBondContact N-O 3.34Å
221	D	89.6	Confident	95.4	Very high	37 Å²	37	29.6 Å²	29.6	20%	0.198	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-11.6	175.8	47.8	-26.2	0	0	0	114.3	R187 T189 I219	R187-D221 WeakPolarHBondContact CD-OD1 3.46Å; R187-D221 WeakPolarHBondContact CD-OD2 3.25Å; R187-D221 IonicContact CZ-OD2 3.89Å; R187-D221 IonicContact NH1-OD2 3.28Å; R187-D221 PolarHBondContact NH1-OD2 2.84Å; T189-D221 PolarHBondContact O-N 3.27Å; T189-D221 WeakPolarHBondContact OG1-CB 3.07Å; I219-D221 PolarHBondContact O-N 3.28Å
222	R	93.8	Very high	95	Very high	43 Å²	43	31.7 Å²	31.7	16%	0.162	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	151.8	-173.1	-65	173.8	72.6	-146.5	16	111.8	D140 I219 W237 C238 D239	D140-R222 IonicContact OD1-CZ 3.84Å; D140-R222 IonicContact OD1-NH1 3.64Å; D140-R222 PolarHBondContact OD1-NH1 2.7Å; D140-R222 IonicContact OD1-NH2 2.77Å; D140-R222 PolarHBondContact OD1-NH2 2.93Å; I219-R222 CarbonylContact C-O 3.58Å; I219-R222 PolarHBondContact N-O 2.81Å; I219-R222 PolarHBondContact O-N 2.78Å; R222-W237 HydrophobicContact CB-CE3 4.11Å; R222-W237 VanDerWaalsContact NH2-CB 3.27Å; R222-C238 CarbonylContact C-O 3.51Å; R222-C238 WeakPolarHBondContact CA-O 3.41Å; R222-C238 WeakPolarHBondContact CB-O 2.99Å; R222-D239 HydrophobicContact CG-CB 4.5Å
223	F	96.3	Very high	94.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	153	174.9	62.9	-88.9	0	0	0	111.2	F193 L199 V215 D217 V218 V225 W237 C238 I245	F193-F223 HydrophobicContact CB-CD1 4.02Å; F193-F223 HydrophobicContact CB-CE1 4.27Å; F193-F223 HydrophobicContact CB-CG 4.18Å; F193-F223 HydrophobicContact CD1-CD2 4.5Å; F193-F223 AromaticContact CD1-CE1 4Å; F193-F223 HydrophobicContact CD1-CE1 4Å; F193-F223 AromaticContact CD1-CE2 3.98Å; F193-F223 HydrophobicContact CD1-CE2 3.98Å; F193-F223 AromaticContact CD1-CZ 3.68Å; F193-F223 HydrophobicContact CD1-CZ 3.68Å; F193-F223 AromaticContact CD2-CD1 3.92Å; F193-F223 HydrophobicContact CD2-CD1 3.92Å; F193-F223 AromaticContact CD2-CE1 3.42Å; F193-F223 HydrophobicContact CD2-CE1 3.42Å; F193-F223 VanDerWaalsContact CD2-CE1 3.42Å; F193-F223 AromaticContact CD2-CZ 3.93Å; F193-F223 HydrophobicContact CD2-CZ 3.93Å; F193-F223 HydrophobicContact CE1-CE1 4.17Å; F193-F223 HydrophobicContact CE1-CE2 4.19Å; F193-F223 AromaticContact CE1-CZ 3.64Å; F193-F223 HydrophobicContact CE1-CZ 3.64Å; F193-F223 AromaticContact CE2-CE1 3.62Å; F193-F223 HydrophobicContact CE2-CE1 3.62Å; F193-F223 AromaticContact CE2-CZ 3.89Å; F193-F223 HydrophobicContact CE2-CZ 3.89Å; F193-F223 AromaticContact CG-CD1 3.9Å; F193-F223 HydrophobicContact CG-CD1 3.9Å; F193-F223 AromaticContact CG-CE1 3.63Å; F193-F223 HydrophobicContact CG-CE1 3.63Å; F193-F223 HydrophobicContact CG-CE2 4.32Å; F193-F223 HydrophobicContact CG-CG 4.34Å; F193-F223 AromaticContact CG-CZ 3.83Å; F193-F223 HydrophobicContact CG-CZ 3.83Å; F193-F223 HydrophobicContact CZ-CE1 4Å; F193-F223 AromaticContact CZ-CZ 3.76Å; F193-F223 HydrophobicContact CZ-CZ 3.76Å; L199-F223 HydrophobicContact CD2-CE2 4.32Å; V215-F223 HydrophobicContact CG1-CB 4Å; V215-F223 HydrophobicContact CG1-CD2 4.23Å; V215-F223 HydrophobicContact CG1-CG 4.47Å; V215-F223 HydrophobicContact CG2-CD2 3.98Å; V215-F223 HydrophobicContact CG2-CE2 4.27Å; D217-F223 CarbonylContact O-C 3.54Å; D217-F223 VanDerWaalsContact O-CA 3.3Å; D217-F223 WeakPolarHBondContact O-CA 3.36Å; D217-F223 WeakPolarHBondContact O-CB 3.1Å; V218-F223 HydrophobicContact CG2-CB 4.01Å; F223-V225 HydrophobicContact CD2-CG2 4.13Å; F223-V225 HydrophobicContact CE2-CG2 3.79Å; F223-W237 VanDerWaalsContact C-CE3 3.43Å; F223-W237 WeakPolarHBondContact O-CA 3.34Å; F223-C238 PolarHBondContact N-O 3.4Å; F223-C238 PolarHBondContact O-N 2.85Å; F223-I245 HydrophobicContact CE1-CD1 4.27Å; F223-I245 HydrophobicContact CZ-CD1 3.58Å
224	L	97.8	Very high	94.4	Very high	5 Å²	5	35.3 Å²	35.3	3%	0.026	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	117.1	179.3	-176.7	62.2	0	0	0	109	P103 V215 A216 D217 D235 W237	P103-L224 HydrophobicContact CB-CD1 4.16Å; V215-L224 WeakPolarHBondContact CA-O 3.49Å; A216-L224 HydrophobicContact CB-CB 4.45Å; A216-L224 HydrophobicContact CB-CD2 4.01Å; A216-L224 HydrophobicContact CB-CG 4.21Å; A216-L224 PolarHBondContact N-O 2.91Å; D217-L224 HydrophobicContact CB-CB 3.96Å; D217-L224 HydrophobicContact CB-CD2 4.16Å; D217-L224 PolarHBondContact O-N 2.91Å; L224-D235 HydrophobicContact CD1-CB 3.75Å; L224-D235 HydrophobicContact CG-CB 4.29Å; L224-W237 HydrophobicContact CB-CD2 4.12Å; L224-W237 HydrophobicContact CB-CE3 4.18Å; L224-W237 HydrophobicContact CB-CH2 3.95Å; L224-W237 HydrophobicContact CB-CZ2 3.9Å; L224-W237 HydrophobicContact CB-CZ3 4.1Å; L224-W237 HydrophobicContact CD1-CD2 4.22Å; L224-W237 HydrophobicContact CD1-CG 4.18Å; L224-W237 HydrophobicContact CD1-CZ2 4.46Å; L224-W237 HydrophobicContact CD2-CZ2 4.3Å; L224-W237 HydrophobicContact CG-CZ2 4.46Å
225	V	98.5	Very high	94.3	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	125.3	168.7	176.9	0	0	0	0	108	L199 A201 A213 F223 D235 Y236 C238 I245	L199-V225 HydrophobicContact CD1-CG2 4.4Å; A201-V225 HydrophobicContact CB-CG1 3.57Å; A213-V225 HydrophobicContact CB-CG1 3.92Å; F223-V225 HydrophobicContact CD2-CG2 4.13Å; F223-V225 HydrophobicContact CE2-CG2 3.79Å; V225-D235 WeakPolarHBondContact O-CA 3.37Å; V225-D235 WeakPolarHBondContact O-CB 3.47Å; V225-Y236 HydrophobicContact CB-CD2 4.4Å; V225-Y236 HydrophobicContact CB-CE1 4.39Å; V225-Y236 HydrophobicContact CB-CE2 4.08Å; V225-Y236 HydrophobicContact CG1-CE1 4.23Å; V225-Y236 HydrophobicContact CG2-CE2 3.97Å; V225-Y236 PolarHBondContact N-O 2.99Å; V225-Y236 PolarHBondContact O-N 2.77Å; V225-Y236 VanDerWaalsContact O-N 3.1Å; V225-C238 VanDerWaalsContact CG2-SG 3.58Å; V225-I245 HydrophobicContact CG2-CG2 3.94Å
226	H	98.4	Very high	94.2	Very high	46 Å²	46	35.8 Å²	35.8	21%	0.213	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	140.3	173.9	172.2	65.8	0	0	0	110.1	A213 S214 A216 W230 D235	A213-H226 CarbonylContact C-O 3.59Å; A213-H226 WeakPolarHBondContact CA-O 3.46Å; A213-H226 VanDerWaalsContact CB-O 3.25Å; A213-H226 WeakPolarHBondContact CB-O 3.38Å; S214-H226 PolarHBondContact N-O 2.96Å; S214-H226 PolarHBondContact O-N 3.41Å; A216-H226 HydrophobicContact CB-CB 3.64Å; H226-W230 PolarHBondContact CE1-O 2.82Å; H226-D235 WeakPolarHBondContact CA-OD1 3.36Å; H226-D235 IonicContact CE1-OD1 3.68Å; H226-D235 IonicContact CG-OD1 2.7Å; H226-D235 IonicContact CG-OD2 3.37Å; H226-D235 IonicContact ND1-OD1 2.72Å; H226-D235 PolarHBondContact ND1-OD1 2.75Å; H226-D235 IonicContact ND1-OD2 3.7Å; H226-D235 PolarHBondContact ND1-OD2 2.83Å
227	F	97.9	Very high	94.2	Very high	4 Å²	4	35 Å²	35	2%	0.018	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	121.5	-179.6	-70.1	-78.5	0	0	0	111.2	A201 D203 C211 A213 N229 W230 Y234 Y236	A201-F227 HydrophobicContact CB-CE1 3.78Å; A201-F227 HydrophobicContact CB-CZ 4.04Å; D203-F227 HydrophobicContact CB-CE1 4.48Å; D203-F227 HydrophobicContact CB-CZ 4.16Å; C211-F227 HydrophobicContact CB-CD1 3.54Å; C211-F227 HydrophobicContact CB-CE1 3.69Å; A213-F227 HydrophobicContact CB-CD1 4.26Å; A213-F227 HydrophobicContact CB-CE1 4.49Å; F227-N229 PolarHBondContact O-N 3.49Å; F227-W230 HydrophobicContact CB-CB 3.98Å; F227-W230 HydrophobicContact CB-CG 4.17Å; F227-W230 WeakPolarHBondContact O-CB 3.28Å; F227-W230 PolarHBondContact O-N 3.23Å; F227-Y234 WeakPolarHBondContact CE2-O 3.36Å; F227-Y236 HydrophobicContact CE2-CD1 4.24Å; F227-Y236 AromaticContact CE2-CE1 3.9Å; F227-Y236 HydrophobicContact CE2-CE1 3.9Å; F227-Y236 AromaticContact CZ-CE1 3.86Å; F227-Y236 HydrophobicContact CZ-CE1 3.86Å
228	D	96.6	Very high	94.2	Very high	7 Å²	7	33.9 Å²	33.9	4%	0.037	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	125.8	-167.2	-74.2	13.2	0	0	0	112.3	K198 V212 S214 W230 P261 Q262 Y275	K198-D228 IonicContact NZ-OD1 3.93Å; K198-D228 IonicContact NZ-OD2 3.8Å; K198-D228 PolarHBondContact NZ-OD2 3.08Å; V212-D228 HydrophobicContact CG1-CB 4.12Å; V212-D228 PolarHBondContact O-N 2.77Å; S214-D228 VanDerWaalsContact CB-OD1 3.3Å; S214-D228 WeakPolarHBondContact CB-OD1 3.43Å; S214-D228 PolarHBondContact N-OD1 3.3Å; S214-D228 VanDerWaalsContact OG-CG 3.32Å; S214-D228 PolarHBondContact OG-OD1 3.38Å; S214-D228 PolarHBondContact OG-OD2 2.8Å; D228-W230 PolarHBondContact O-N 3.09Å; D228-P261 HydrophobicContact CB-CB 3.96Å; D228-P261 HydrophobicContact CB-CG 3.97Å; D228-P261 WeakPolarHBondContact O-CA 3.41Å; D228-Q262 PolarHBondContact O-N 2.83Å; D228-Y275 WeakPolarHBondContact OD2-CE1 3.45Å; D228-Y275 PolarHBondContact OD2-OH 2.73Å; D228-Y275 VanDerWaalsContact OD2-OH 3.06Å
229	N	93.8	Very high	94.2	Very high	101 Å²	101	34 Å²	34	54%	0.54	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	10	-173.8	-59.7	3.4	0	0	0	116.1	F227 P261 Q262	F227-N229 PolarHBondContact O-N 3.49Å; N229-P261 HydrophobicContact CB-CB 4.44Å; N229-Q262 HydrophobicContact CB-CB 3.94Å; N229-Q262 VanDerWaalsContact CB-O 3.26Å; N229-Q262 WeakPolarHBondContact CB-O 3.34Å; N229-Q262 PolarHBondContact ND2-O 3.49Å
230	W	93.1	Very high	94.4	Very high	88 Å²	88	35.2 Å²	35.2	33%	0.333	18%	0.175	S	C	.	.	S	Bend	trans	-93.5	172.1	170.6	-68.4	86.4	0	0	0	111.8	H226 F227 D228 Y234 Q262	H226-W230 PolarHBondContact CE1-O 2.82Å; F227-W230 HydrophobicContact CB-CB 3.98Å; F227-W230 HydrophobicContact CB-CG 4.17Å; F227-W230 WeakPolarHBondContact O-CB 3.28Å; F227-W230 PolarHBondContact O-N 3.23Å; D228-W230 PolarHBondContact O-N 3.09Å; W230-Y234 HydrophobicContact CE3-CE2 4.28Å; W230-Q262 HydrophobicContact CD2-CB 4.27Å; W230-Q262 HydrophobicContact CG-CB 4.41Å; W230-Q262 VanDerWaalsContact CH2-NE2 3.29Å; W230-Q262 HydrophobicContact CZ2-CB 4.3Å; W230-Q262 HydrophobicContact CZ2-CG 4.37Å
231	D	88.9	Confident	94.7	Very high	77 Å²	77	33.4 Å²	33.4	41%	0.412	17%	0.167	S	C	.	.			trans	-79.4	155.7	172.7	64.4	85.6	0	0	0	112.6	T233 Y234	D231-T233 PolarHBondContact O-N 2.83Å; D231-T233 VanDerWaalsContact O-N 3.08Å; D231-T233 VanDerWaalsContact OD1-CB 3.29Å; D231-T233 WeakPolarHBondContact OD1-CB 3.39Å; D231-T233 WeakPolarHBondContact OD1-CG2 3.41Å; D231-T233 PolarHBondContact OD1-N 2.62Å; D231-T233 PolarHBondContact OD1-OG1 3.01Å; D231-Y234 PolarHBondContact O-N 2.78Å; D231-Y234 WeakPolarHBondContact OD2-CE2 3.33Å
232	D	89.2	Confident	95.1	Very high	51 Å²	51	32 Å²	32	27%	0.273	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-70.3	-3.8	-172.8	70.6	0.5	0	0	0	115.1	H102 S104 Y234 D235	H102-D232 IonicContact CE1-OD1 2.72Å; H102-D232 IonicContact CG-OD1 2.67Å; H102-D232 IonicContact ND1-OD1 3.12Å; H102-D232 PolarHBondContact ND1-OD1 3.13Å; S104-D232 VanDerWaalsContact OG-CG 3.27Å; S104-D232 PolarHBondContact OG-OD2 3.28Å; D232-Y234 PolarHBondContact O-N 2.66Å; D232-D235 WeakPolarHBondContact O-CB 3.4Å; D232-D235 PolarHBondContact O-N 2.95Å
233	T	90.4	Very high	95.2	Very high	28 Å²	28	30.6 Å²	30.6	17%	0.172	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-72	-18.4	176	76	0	0	0	0	112	H102 K205 D231	H102-T233 VanDerWaalsContact CE1-CG2 3.5Å; H102-T233 WeakPolarHBondContact CE1-CG2 3.44Å; K205-T233 WeakPolarHBondContact CE-O 3.33Å; K205-T233 PolarHBondContact NZ-O 3.17Å; K205-T233 PolarHBondContact NZ-OG1 3.33Å; D231-T233 PolarHBondContact O-N 2.83Å; D231-T233 VanDerWaalsContact O-N 3.08Å; D231-T233 VanDerWaalsContact OD1-CB 3.29Å; D231-T233 WeakPolarHBondContact OD1-CB 3.39Å; D231-T233 WeakPolarHBondContact OD1-CG2 3.41Å; D231-T233 PolarHBondContact OD1-N 2.62Å; D231-T233 PolarHBondContact OD1-OG1 3.01Å
234	Y	93.3	Very high	95.3	Very high	52 Å²	52	32 Å²	32	20%	0.204	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-84.9	-16.7	176.6	-67.4	-96.6	0	0	0	112.7	K205 F227 W230 D231 D232	K205-Y234 HydrophobicContact CB-CE1 4.45Å; K205-Y234 HydrophobicContact CD-CD1 3.73Å; K205-Y234 HydrophobicContact CD-CE1 3.74Å; K205-Y234 HydrophobicContact CD-CG 4.4Å; K205-Y234 HydrophobicContact CG-CD1 4.45Å; F227-Y234 WeakPolarHBondContact CE2-O 3.36Å; W230-Y234 HydrophobicContact CE3-CE2 4.28Å; D231-Y234 PolarHBondContact O-N 2.78Å; D231-Y234 WeakPolarHBondContact OD2-CE2 3.33Å; D232-Y234 PolarHBondContact O-N 2.66Å
235	D	96.7	Very high	95.3	Very high	8 Å²	8	32.1 Å²	32.1	4%	0.043	16%	0.162	C	C	.	.			trans	-59.9	150.3	-177.6	-63	6.2	0	0	0	111.3	P103 L224 V225 H226 D232	P103-D235 VanDerWaalsContact CG-O 3.26Å; P103-D235 WeakPolarHBondContact CG-O 3.48Å; L224-D235 HydrophobicContact CD1-CB 3.75Å; L224-D235 HydrophobicContact CG-CB 4.29Å; V225-D235 WeakPolarHBondContact O-CA 3.37Å; V225-D235 WeakPolarHBondContact O-CB 3.47Å; H226-D235 WeakPolarHBondContact CA-OD1 3.36Å; H226-D235 IonicContact CE1-OD1 3.68Å; H226-D235 IonicContact CG-OD1 2.7Å; H226-D235 IonicContact CG-OD2 3.37Å; H226-D235 IonicContact ND1-OD1 2.72Å; H226-D235 PolarHBondContact ND1-OD1 2.75Å; H226-D235 IonicContact ND1-OD2 3.7Å; H226-D235 PolarHBondContact ND1-OD2 2.83Å; D232-D235 WeakPolarHBondContact O-CB 3.4Å; D232-D235 PolarHBondContact O-N 2.95Å
236	Y	97.4	Very high	95.3	Very high	18 Å²	18	33.2 Å²	33.2	7%	0.071	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	147.5	171.2	61.9	-95.8	0	0	0	112.8	V202 K204 V225 F227 C238 Y244	V202-Y236 WeakPolarHBondContact O-CE1 3.47Å; V202-Y236 PolarHBondContact O-OH 3.48Å; K204-Y236 HydrophobicContact CD-CD1 4.32Å; K204-Y236 HydrophobicContact CD-CD2 4.49Å; K204-Y236 HydrophobicContact CD-CG 4.25Å; K204-Y236 HydrophobicContact CG-CD1 4.07Å; K204-Y236 HydrophobicContact CG-CE1 4.07Å; K204-Y236 HydrophobicContact CG-CG 4.49Å; V225-Y236 HydrophobicContact CB-CD2 4.4Å; V225-Y236 HydrophobicContact CB-CE1 4.39Å; V225-Y236 HydrophobicContact CB-CE2 4.08Å; V225-Y236 HydrophobicContact CG1-CE1 4.23Å; V225-Y236 HydrophobicContact CG2-CE2 3.97Å; V225-Y236 PolarHBondContact N-O 2.99Å; V225-Y236 PolarHBondContact O-N 2.77Å; V225-Y236 VanDerWaalsContact O-N 3.1Å; F227-Y236 HydrophobicContact CE2-CD1 4.24Å; F227-Y236 AromaticContact CE2-CE1 3.9Å; F227-Y236 HydrophobicContact CE2-CE1 3.9Å; F227-Y236 AromaticContact CZ-CE1 3.86Å; F227-Y236 HydrophobicContact CZ-CE1 3.86Å; Y236-C238 HydrophobicContact CD2-CB 4.17Å; Y236-C238 HydrophobicContact CE2-CB 4.08Å; Y236-Y244 PolarHBondContact OH-O 3.45Å
237	W	96.6	Very high	95.3	Very high	26 Å²	26	32.4 Å²	32.4	10%	0.098	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	128.3	172.8	-71.4	91.9	0	0	0	111.1	I98 P103 D217 I219 R222 F223 L224	I98-W237 HydrophobicContact CD1-CD2 4.48Å; I98-W237 HydrophobicContact CD1-CZ2 4.34Å; P103-W237 PolarHBondContact O-NE1 3.44Å; D217-W237 HydrophobicContact CB-CH2 3.74Å; D217-W237 HydrophobicContact CB-CZ2 4.24Å; I219-W237 HydrophobicContact CB-CH2 4.25Å; I219-W237 HydrophobicContact CB-CZ3 4.05Å; I219-W237 HydrophobicContact CD1-CH2 3.31Å; I219-W237 HydrophobicContact CD1-CZ2 3.8Å; I219-W237 HydrophobicContact CD1-CZ3 3.95Å; I219-W237 HydrophobicContact CG1-CH2 3.6Å; I219-W237 HydrophobicContact CG1-CZ3 3.92Å; R222-W237 HydrophobicContact CB-CE3 4.11Å; R222-W237 VanDerWaalsContact NH2-CB 3.27Å; F223-W237 VanDerWaalsContact C-CE3 3.43Å; F223-W237 WeakPolarHBondContact O-CA 3.34Å; L224-W237 HydrophobicContact CB-CD2 4.12Å; L224-W237 HydrophobicContact CB-CE3 4.18Å; L224-W237 HydrophobicContact CB-CH2 3.95Å; L224-W237 HydrophobicContact CB-CZ2 3.9Å; L224-W237 HydrophobicContact CB-CZ3 4.1Å; L224-W237 HydrophobicContact CD1-CD2 4.22Å; L224-W237 HydrophobicContact CD1-CG 4.18Å; L224-W237 HydrophobicContact CD1-CZ2 4.46Å; L224-W237 HydrophobicContact CD2-CZ2 4.3Å; L224-W237 HydrophobicContact CG-CZ2 4.46Å
238	C	95.6	Very high	95.3	Very high	7 Å²	7	34 Å²	34	5%	0.047	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	175.3	171.5	65.8	0	0	0	0	111.9	R222 F223 V225 Y236	R222-C238 CarbonylContact C-O 3.51Å; R222-C238 WeakPolarHBondContact CA-O 3.41Å; R222-C238 WeakPolarHBondContact CB-O 2.99Å; F223-C238 PolarHBondContact N-O 3.4Å; F223-C238 PolarHBondContact O-N 2.85Å; V225-C238 VanDerWaalsContact CG2-SG 3.58Å; Y236-C238 HydrophobicContact CD2-CB 4.17Å; Y236-C238 HydrophobicContact CE2-CB 4.08Å
239	D	94.5	Very high	95.3	Very high	42 Å²	42	34.4 Å²	34.4	23%	0.225	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	173.7	170.1	70.3	99.5	0	0	0	110.9	R222 S241 S242 I245	R222-D239 HydrophobicContact CG-CB 4.5Å; D239-S241 PolarHBondContact O-N 3.26Å; D239-S241 VanDerWaalsContact O-N 3.09Å; D239-S241 WeakPolarHBondContact OD1-CA 3.41Å; D239-S241 WeakPolarHBondContact OD1-CB 3.26Å; D239-S241 PolarHBondContact OD1-N 3.3Å; D239-S241 PolarHBondContact OD1-OG 3.47Å; D239-S242 VanDerWaalsContact O-CB 3.3Å; D239-S242 WeakPolarHBondContact O-CB 3.47Å; D239-S242 PolarHBondContact O-N 3.3Å; D239-S242 VanDerWaalsContact O-N 3.16Å; D239-I245 WeakPolarHBondContact O-CD1 3.49Å
240	S	95.5	Very high	95.5	Very high	36 Å²	36	32.5 Å²	32.5	25%	0.252	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-19.9	-178.4	59.3	0	0	0	0	115.3	A288 T290	S240-A288 VanDerWaalsContact CB-O 3.27Å; S240-A288 WeakPolarHBondContact CB-O 3.21Å; S240-T290 VanDerWaalsContact C-OG1 3.31Å; S240-T290 WeakPolarHBondContact CB-OG1 3.39Å; S240-T290 PolarHBondContact O-N 3.4Å; S240-T290 PolarHBondContact O-OG1 2.95Å; S240-T290 PolarHBondContact OG-OG1 3.32Å
241	S	95.5	Very high	95.7	Very high	26 Å²	26	28.4 Å²	28.4	18%	0.182	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-2.4	-178.6	81.3	0	0	0	0	114.9	D239 T290 R292	D239-S241 PolarHBondContact O-N 3.26Å; D239-S241 VanDerWaalsContact O-N 3.09Å; D239-S241 WeakPolarHBondContact OD1-CA 3.41Å; D239-S241 WeakPolarHBondContact OD1-CB 3.26Å; D239-S241 PolarHBondContact OD1-N 3.3Å; D239-S241 PolarHBondContact OD1-OG 3.47Å; S241-T290 VanDerWaalsContact CA-O 3.22Å; S241-T290 WeakPolarHBondContact CA-O 3.41Å; S241-T290 WeakPolarHBondContact CB-O 3.31Å; S241-T290 PolarHBondContact N-OG1 3.01Å; S241-R292 WeakPolarHBondContact O-CG 3.49Å; S241-R292 PolarHBondContact O-N 3.48Å
242	S	97.1	Very high	96	Very high	7 Å²	7	32.7 Å²	32.7	5%	0.049	17%	0.169	C	C	.	.			trans	-58.7	135.4	-177.4	175.2	0	0	0	0	112.3	D239 Y244 I245	D239-S242 VanDerWaalsContact O-CB 3.3Å; D239-S242 WeakPolarHBondContact O-CB 3.47Å; D239-S242 PolarHBondContact O-N 3.3Å; D239-S242 VanDerWaalsContact O-N 3.16Å; S242-Y244 PolarHBondContact O-N 3.4Å; S242-Y244 PolarHBondContact OG-N 2.93Å; S242-I245 VanDerWaalsContact O-CG1 3.27Å; S242-I245 WeakPolarHBondContact O-CG1 3.42Å
243	P	96.8	Very high	96.4	Very high	14 Å²	14	35.9 Å²	35.9	9%	0.091	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-3.2	178.1	34.4	-37.6	0	0	0	113.4	H246 L291 Y325	P243-H246 PolarHBondContact O-CE1 3.16Å; P243-L291 HydrophobicContact CB-CD1 3.97Å; P243-Y325 HydrophobicContact CB-CD1 4.21Å; P243-Y325 HydrophobicContact CB-CD2 3.41Å; P243-Y325 VanDerWaalsContact CB-CD2 3.41Å; P243-Y325 HydrophobicContact CB-CE1 4.37Å; P243-Y325 HydrophobicContact CB-CE2 3.62Å; P243-Y325 HydrophobicContact CB-CG 3.73Å; P243-Y325 HydrophobicContact CG-CD1 4.28Å; P243-Y325 HydrophobicContact CG-CD2 3.94Å; P243-Y325 HydrophobicContact CG-CG 3.77Å
244	Y	97.9	Very high	96.6	Very high	30 Å²	30	39.5 Å²	39.5	12%	0.118	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	9.4	-174.2	-57.7	-59.9	0	0	0	113.6	A201 V202 Y236 S242 R326 D343	A201-Y244 WeakPolarHBondContact CA-O 3.25Å; V202-Y244 HydrophobicContact CB-CD1 4.01Å; V202-Y244 HydrophobicContact CG1-CD1 4.16Å; V202-Y244 HydrophobicContact CG2-CD1 4.26Å; V202-Y244 PolarHBondContact N-O 2.84Å; Y236-Y244 PolarHBondContact OH-O 3.45Å; S242-Y244 PolarHBondContact O-N 3.4Å; S242-Y244 PolarHBondContact OG-N 2.93Å; Y244-R326 WeakPolarHBondContact OH-CD 3.43Å; Y244-D343 WeakPolarHBondContact CE2-OD1 3.2Å; Y244-D343 PolarHBondContact OH-OD1 3.24Å
245	I	98.4	Very high	96.6	Very high	7 Å²	7	40.5 Å²	40.5	4%	0.036	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	140.2	-177.9	55.4	169.4	0	0	0	110.1	F193 L199 E200 F223 V225 D239 S242 F289	F193-I245 HydrophobicContact CZ-CD1 4.44Å; L199-I245 HydrophobicContact CD1-CB 3.96Å; L199-I245 HydrophobicContact CD1-CG2 3.74Å; E200-I245 CarbonylContact O-C 3.09Å; F223-I245 HydrophobicContact CE1-CD1 4.27Å; F223-I245 HydrophobicContact CZ-CD1 3.58Å; V225-I245 HydrophobicContact CG2-CG2 3.94Å; D239-I245 WeakPolarHBondContact O-CD1 3.49Å; S242-I245 VanDerWaalsContact O-CG1 3.27Å; S242-I245 WeakPolarHBondContact O-CG1 3.42Å; I245-F289 HydrophobicContact CB-CD1 4.49Å; I245-F289 HydrophobicContact CB-CE1 4.15Å; I245-F289 HydrophobicContact CD1-CD1 4.2Å; I245-F289 HydrophobicContact CD1-CE1 4.33Å; I245-F289 HydrophobicContact CG1-CD1 4.18Å; I245-F289 HydrophobicContact CG1-CE1 4.3Å
246	H	98.3	Very high	96.4	Very high	22 Å²	22	46.7 Å²	46.7	10%	0.102	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	150.6	-176.6	-51.4	-48.5	0	0	0	110.6	E200 P243 W250 F289	E200-H246 HydrophobicContact CB-CB 4.17Å; E200-H246 PolarHBondContact N-O 3.45Å; E200-H246 PolarHBondContact O-N 3.18Å; P243-H246 PolarHBondContact O-CE1 3.16Å; H246-W250 HydrophobicContact CB-CB 3.59Å; H246-W250 HydrophobicContact CB-CD2 3.81Å; H246-W250 HydrophobicContact CB-CE3 4.27Å; H246-W250 HydrophobicContact CB-CG 3.51Å; H246-W250 AromaticContact CD2-CD2 3.57Å; H246-W250 AromaticContact CD2-CE2 3.84Å; H246-W250 AromaticContact CD2-CE3 3.43Å; H246-W250 VanDerWaalsContact CD2-CE3 3.43Å; H246-W250 AromaticContact CD2-CH2 3.88Å; H246-W250 AromaticContact CD2-CZ2 3.99Å; H246-W250 AromaticContact CD2-CZ3 3.61Å; H246-W250 AromaticContact CE1-CE2 3.99Å; H246-W250 AromaticContact CE1-CZ2 3.86Å; H246-W250 AromaticContact CG-CD2 3.53Å; H246-W250 AromaticContact CG-CE2 3.75Å; H246-W250 AromaticContact CG-CE3 3.88Å; H246-W250 AromaticContact CG-CG 3.76Å; H246-W250 AromaticContact ND1-CE2 3.83Å; H246-W250 AromaticContact ND1-NE1 3.95Å; H246-W250 AromaticContact NE2-CH2 3.64Å; H246-W250 AromaticContact NE2-CZ2 3.73Å; H246-W250 AromaticContact NE2-CZ3 3.83Å; H246-F289 WeakPolarHBondContact O-CE1 3.19Å; H246-F289 WeakPolarHBondContact O-CZ 3.47Å
247	P	98.1	Very high	96.2	Very high	30 Å²	30	51.2 Å²	51.2	20%	0.195	29%	0.286	C	S	.	.			trans	-64.4	155.8	172.4	28.5	-35.1	0	0	0	110.9	G249 W250 F289	P247-G249 PolarHBondContact O-N 3.47Å; P247-W250 VanDerWaalsContact O-CB 3.27Å; P247-W250 WeakPolarHBondContact O-CB 3.45Å; P247-W250 PolarHBondContact O-N 3.35Å; P247-F289 HydrophobicContact CB-CD2 4.1Å; P247-F289 HydrophobicContact CB-CE2 3.79Å; P247-F289 HydrophobicContact CB-CZ 4.2Å
248	V	98.3	Very high	96.2	Very high	37 Å²	37	52 Å²	52	22%	0.224	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	131.1	172.1	165.8	0	0	0	0	110.9	W272 L276 A283	V248-W272 HydrophobicContact CB-CD2 4.4Å; V248-W272 HydrophobicContact CG1-CB 3.81Å; V248-W272 HydrophobicContact CG1-CD2 3.59Å; V248-W272 HydrophobicContact CG1-CE3 4.1Å; V248-W272 HydrophobicContact CG1-CG 3.48Å; V248-W272 VanDerWaalsContact CG1-CG 3.48Å; V248-W272 HydrophobicContact CG2-CD2 4.15Å; V248-W272 HydrophobicContact CG2-CE3 4.1Å; V248-W272 HydrophobicContact CG2-CH2 3.96Å; V248-W272 HydrophobicContact CG2-CZ2 4.03Å; V248-W272 HydrophobicContact CG2-CZ3 4.01Å; V248-L276 HydrophobicContact CG1-CD1 4.46Å; V248-A283 HydrophobicContact CB-CB 3.89Å; V248-A283 HydrophobicContact CG1-CB 4.46Å; V248-A283 HydrophobicContact CG2-CB 3.66Å
249	G	96.8	Very high	96.3	Very high	15 Å²	15	53.6 Å²	53.6	16%	0.155	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.3	0.9	-178.7	0	0	0	0	0	114.7	E200 P247 E252 V253	E200-G249 WeakPolarHBondContact OE1-CA 3.14Å; E200-G249 PolarHBondContact OE1-N 3.19Å; P247-G249 PolarHBondContact O-N 3.47Å; G249-E252 PolarHBondContact O-N 3.25Å; G249-V253 WeakPolarHBondContact O-CG2 3.38Å; G249-V253 PolarHBondContact O-N 3.13Å
250	W	97.8	Very high	96.3	Very high	62 Å²	62	52.1 Å²	52.1	24%	0.235	30%	0.295	C	S	.	.	H	α-helix	trans	-64.6	-43.3	-178.6	178.9	95.6	0	0	0	112.6	E200 V210 H246 P247 E252 V253 Q254	E200-W250 PolarHBondContact OE1-N 3.42Å; E200-W250 PolarHBondContact OE2-N 2.8Å; V210-W250 HydrophobicContact CG2-CZ3 4.24Å; H246-W250 HydrophobicContact CB-CB 3.59Å; H246-W250 HydrophobicContact CB-CD2 3.81Å; H246-W250 HydrophobicContact CB-CE3 4.27Å; H246-W250 HydrophobicContact CB-CG 3.51Å; H246-W250 AromaticContact CD2-CD2 3.57Å; H246-W250 AromaticContact CD2-CE2 3.84Å; H246-W250 AromaticContact CD2-CE3 3.43Å; H246-W250 VanDerWaalsContact CD2-CE3 3.43Å; H246-W250 AromaticContact CD2-CH2 3.88Å; H246-W250 AromaticContact CD2-CZ2 3.99Å; H246-W250 AromaticContact CD2-CZ3 3.61Å; H246-W250 AromaticContact CE1-CE2 3.99Å; H246-W250 AromaticContact CE1-CZ2 3.86Å; H246-W250 AromaticContact CG-CD2 3.53Å; H246-W250 AromaticContact CG-CE2 3.75Å; H246-W250 AromaticContact CG-CE3 3.88Å; H246-W250 AromaticContact CG-CG 3.76Å; H246-W250 AromaticContact ND1-CE2 3.83Å; H246-W250 AromaticContact ND1-NE1 3.95Å; H246-W250 AromaticContact NE2-CH2 3.64Å; H246-W250 AromaticContact NE2-CZ2 3.73Å; H246-W250 AromaticContact NE2-CZ3 3.83Å; P247-W250 VanDerWaalsContact O-CB 3.27Å; P247-W250 WeakPolarHBondContact O-CB 3.45Å; P247-W250 PolarHBondContact O-N 3.35Å; W250-E252 VanDerWaalsContact C-N 3.32Å; W250-E252 PolarHBondContact O-N 2.7Å; W250-V253 PolarHBondContact O-N 3.28Å; W250-Q254 HydrophobicContact CD2-CG 3.75Å; W250-Q254 HydrophobicContact CE3-CG 4.05Å; W250-Q254 HydrophobicContact CG-CG 4.36Å; W250-Q254 HydrophobicContact CH2-CG 3.94Å; W250-Q254 HydrophobicContact CZ2-CG 3.63Å; W250-Q254 HydrophobicContact CZ3-CB 4.49Å; W250-Q254 HydrophobicContact CZ3-CG 4.13Å; W250-Q254 WeakPolarHBondContact O-CG 3.43Å; W250-Q254 PolarHBondContact O-N 3.1Å
251	C	96.9	Very high	96.3	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.007	29%	0.285	C	S	.	.	H	α-helix	trans	-59.6	-41.8	177.8	-99.1	0	0	0	0	112.1	E200 Q254 G255 R256 L258	E200-C251 WeakPolarHBondContact OE2-CB 3.25Å; E200-C251 PolarHBondContact OE2-N 3.47Å; C251-Q254 CarbonylContact O-C 3.59Å; C251-Q254 PolarHBondContact O-N 3.09Å; C251-G255 PolarHBondContact O-N 2.93Å; C251-R256 HydrophobicContact CB-CB 4.39Å; C251-R256 WeakPolarHBondContact CB-O 3.26Å; C251-R256 PolarHBondContact O-N 3.49Å; C251-L258 HydrophobicContact CB-CB 4.01Å
252	E	95	Very high	96.1	Very high	167 Å²	167	54.2 Å²	54.2	78%	0.78	30%	0.298	S	S	*	.	H	α-helix	trans	-59.8	-49.4	175.3	-174.1	-178.2	-173.9	0	0	110.9	G249 W250 Q254 G255	G249-E252 PolarHBondContact O-N 3.25Å; W250-E252 VanDerWaalsContact C-N 3.32Å; W250-E252 PolarHBondContact O-N 2.7Å; E252-Q254 VanDerWaalsContact C-N 3.28Å; E252-Q254 PolarHBondContact O-N 2.91Å; E252-G255 PolarHBondContact O-N 2.83Å; E252-G255 VanDerWaalsContact O-N 3.09Å
253	V	96.5	Very high	95.6	Very high	118 Å²	118	57.4 Å²	57.4	72%	0.715	33%	0.333	S	S	*	.	H	α-helix	trans	-61.9	-33.5	177.7	173.5	0	0	0	0	112.6	G249 W250	G249-V253 WeakPolarHBondContact O-CG2 3.38Å; G249-V253 PolarHBondContact O-N 3.13Å; W250-V253 PolarHBondContact O-N 3.28Å
254	Q	95	Very high	95.3	Very high	104 Å²	104	58.5 Å²	58.5	49%	0.486	34%	0.336	S	S	.	.	H	α-helix	trans	-85.6	-4.5	177	-63.6	-53.9	-56.7	0	0	114.2	W250 C251 E252 R256	W250-Q254 HydrophobicContact CD2-CG 3.75Å; W250-Q254 HydrophobicContact CE3-CG 4.05Å; W250-Q254 HydrophobicContact CG-CG 4.36Å; W250-Q254 HydrophobicContact CH2-CG 3.94Å; W250-Q254 HydrophobicContact CZ2-CG 3.63Å; W250-Q254 HydrophobicContact CZ3-CB 4.49Å; W250-Q254 HydrophobicContact CZ3-CG 4.13Å; W250-Q254 WeakPolarHBondContact O-CG 3.43Å; W250-Q254 PolarHBondContact O-N 3.1Å; C251-Q254 CarbonylContact O-C 3.59Å; C251-Q254 PolarHBondContact O-N 3.09Å; E252-Q254 VanDerWaalsContact C-N 3.28Å; E252-Q254 PolarHBondContact O-N 2.91Å; Q254-R256 VanDerWaalsContact C-N 3.25Å; Q254-R256 HydrophobicContact CB-CB 4.41Å; Q254-R256 HydrophobicContact CB-CG 4.09Å; Q254-R256 PolarHBondContact O-N 3.15Å
255	G	93.7	Very high	94.7	Very high	73 Å²	73	62.8 Å²	62.8	75%	0.753	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	32.9	-172	0	0	0	0	0	113.2	C251 E252	C251-G255 PolarHBondContact O-N 2.93Å; E252-G255 PolarHBondContact O-N 2.83Å; E252-G255 VanDerWaalsContact O-N 3.09Å
256	R	93.1	Very high	94.2	Very high	139 Å²	139	65.2 Å²	65.2	53%	0.525	39%	0.386	S	S	.	.			trans	-104.5	145.7	179.7	-77.7	-176.7	163.4	-126.5	-1.7	111.1	C251 Q254 L258	C251-R256 HydrophobicContact CB-CB 4.39Å; C251-R256 WeakPolarHBondContact CB-O 3.26Å; C251-R256 PolarHBondContact O-N 3.49Å; Q254-R256 VanDerWaalsContact C-N 3.25Å; Q254-R256 HydrophobicContact CB-CB 4.41Å; Q254-R256 HydrophobicContact CB-CG 4.09Å; Q254-R256 PolarHBondContact O-N 3.15Å; R256-L258 PolarHBondContact O-N 3.11Å
257	P	93.9	Very high	93.7	Very high	112 Å²	112	67.8 Å²	67.8	73%	0.727	41%	0.405	S	S	*	.			trans	-67.7	132.4	174.2	29	-33.9	0	0	0	110.5
258	L	96.6	Very high	93.2	Very high	42 Å²	42	75.5 Å²	75.5	22%	0.22	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	133.9	170.1	179.1	62.3	0	0	0	109.6	E200 V210 V212 C251 R256 F270 W272	E200-L258 HydrophobicContact CG-CD1 3.87Å; V210-L258 HydrophobicContact CG1-CD1 4.49Å; V212-L258 HydrophobicContact CG2-CD1 4.22Å; V212-L258 HydrophobicContact CG2-CD2 3.92Å; V212-L258 HydrophobicContact CG2-CG 4.06Å; C251-L258 HydrophobicContact CB-CB 4.01Å; R256-L258 PolarHBondContact O-N 3.11Å; L258-F270 HydrophobicContact CD2-CD1 3.87Å; L258-F270 HydrophobicContact CD2-CE1 3.75Å; L258-W272 HydrophobicContact CD2-CZ2 4.13Å
259	T	96.6	Very high	92.8	Very high	42 Å²	42	79.6 Å²	79.6	26%	0.258	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	110.1	175.6	-44.9	0	0	0	0	109.3	V210 C211 V212	V210-T259 WeakPolarHBondContact O-CB 3.27Å; V210-T259 PolarHBondContact O-N 3.04Å; V210-T259 PolarHBondContact O-OG1 3.08Å; C211-T259 WeakPolarHBondContact CA-O 3.4Å; V212-T259 PolarHBondContact N-O 3.2Å
260	A	95.4	Very high	92.8	Very high	11 Å²	11	80.5 Å²	80.5	9%	0.091	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-64.3	162.2	176.6	0	0	0	0	0	112.6	H264 P267 F270	A260-H264 HydrophobicContact CB-CB 4.21Å; A260-P267 HydrophobicContact CB-CB 4.2Å; A260-F270 HydrophobicContact CB-CB 3.88Å; A260-F270 HydrophobicContact CB-CD2 3.88Å; A260-F270 HydrophobicContact CB-CG 3.95Å
261	P	94.4	Very high	92.7	Very high	6 Å²	6	80.9 Å²	80.9	4%	0.039	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-55.9	149.1	178	-25.5	35.2	0	0	0	113.1	V212 D228 N229 G263 H264 F270 Y275	V212-P261 HydrophobicContact CB-CG 4.06Å; V212-P261 HydrophobicContact CG1-CG 3.75Å; D228-P261 HydrophobicContact CB-CB 3.96Å; D228-P261 HydrophobicContact CB-CG 3.97Å; D228-P261 WeakPolarHBondContact O-CA 3.41Å; N229-P261 HydrophobicContact CB-CB 4.44Å; P261-G263 PolarHBondContact O-N 2.68Å; P261-H264 WeakPolarHBondContact O-CB 3.47Å; P261-H264 PolarHBondContact O-N 3.48Å; P261-H264 VanDerWaalsContact O-N 3.09Å; P261-F270 HydrophobicContact CG-CE2 4.36Å; P261-Y275 HydrophobicContact CG-CE1 3.98Å; P261-Y275 HydrophobicContact CG-CE2 4.04Å
262	Q	91.6	Very high	92.7	Very high	99 Å²	99	82 Å²	82	46%	0.463	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	125.1	179.7	-166.7	176.7	81.5	0	0	111.1	D228 N229 W230	D228-Q262 PolarHBondContact O-N 2.83Å; N229-Q262 HydrophobicContact CB-CB 3.94Å; N229-Q262 VanDerWaalsContact CB-O 3.26Å; N229-Q262 WeakPolarHBondContact CB-O 3.34Å; N229-Q262 PolarHBondContact ND2-O 3.49Å; W230-Q262 HydrophobicContact CD2-CB 4.27Å; W230-Q262 HydrophobicContact CG-CB 4.41Å; W230-Q262 VanDerWaalsContact CH2-NE2 3.29Å; W230-Q262 HydrophobicContact CZ2-CB 4.3Å; W230-Q262 HydrophobicContact CZ2-CG 4.37Å
263	G	87.6	Confident	92.8	Very high	75 Å²	75	80 Å²	80	77%	0.773	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	13.6	-179.2	0	0	0	0	0	115.5	P261	P261-G263 PolarHBondContact O-N 2.68Å
264	H	89.3	Confident	92.7	Very high	36 Å²	36	78.9 Å²	78.9	17%	0.167	46%	0.456	C	S	.	.			trans	-54.1	138.8	171.9	-166	-106.7	0	0	0	111.4	A260 P261 S266 P267 F270	A260-H264 HydrophobicContact CB-CB 4.21Å; P261-H264 WeakPolarHBondContact O-CB 3.47Å; P261-H264 PolarHBondContact O-N 3.48Å; P261-H264 VanDerWaalsContact O-N 3.09Å; H264-S266 PolarHBondContact CE1-O 3.18Å; H264-S266 VanDerWaalsContact ND1-C 3.32Å; H264-S266 PolarHBondContact ND1-O 3.14Å; H264-S266 PolarHBondContact O-N 2.92Å; H264-P267 HydrophobicContact CB-CG 4.44Å; H264-P267 WeakPolarHBondContact O-CD 3.43Å; H264-P267 WeakPolarHBondContact O-CG 3.41Å; H264-F270 AromaticContact CE1-CD2 3.84Å; H264-F270 AromaticContact NE2-CD2 3.88Å
265	P	86.5	Confident	92.8	Very high	121 Å²	121	74.9 Å²	74.9	79%	0.786	44%	0.437	S	S	*	.	S	Bend	trans	-62.1	-38.3	-174.5	-25.6	35.4	0	0	0	114.5
266	S	87.8	Confident	93	Very high	57 Å²	57	72.6 Å²	72.6	40%	0.399	41%	0.407	S	S	.	.			trans	-129.6	88	174.1	-66.2	0	0	0	0	109.1	H264 E268	H264-S266 PolarHBondContact CE1-O 3.18Å; H264-S266 VanDerWaalsContact ND1-C 3.32Å; H264-S266 PolarHBondContact ND1-O 3.14Å; H264-S266 PolarHBondContact O-N 2.92Å; S266-E268 VanDerWaalsContact C-N 3.3Å; S266-E268 PolarHBondContact O-N 3.21Å
267	P	87.3	Confident	93.2	Very high	77 Å²	77	73.8 Å²	73.8	50%	0.5	42%	0.418	S	S	.	.	S	Bend	trans	-67.4	-29.1	-178	-22.6	34.9	0	0	0	113.7	A260 H264	A260-P267 HydrophobicContact CB-CB 4.2Å; H264-P267 HydrophobicContact CB-CG 4.44Å; H264-P267 WeakPolarHBondContact O-CD 3.43Å; H264-P267 WeakPolarHBondContact O-CG 3.41Å
268	E	88	Confident	93.3	Very high	191 Å²	191	75.4 Å²	75.4	89%	0.893	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-28.8	-178.8	-61.7	-179.2	-166	0	0	112.4	S266	S266-E268 VanDerWaalsContact C-N 3.3Å; S266-E268 PolarHBondContact O-N 3.21Å
269	D	90.1	Very high	93.2	Very high	124 Å²	124	76 Å²	76	66%	0.663	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	32.2	178.1	-51.5	-62	0	0	0	112	V271	D269-V271 PolarHBondContact O-N 2.87Å
270	F	95.6	Very high	93.2	Very high	33 Å²	33	77.3 Å²	77.3	15%	0.145	44%	0.444	C	S	.	.			trans	-67.5	126.4	-178.2	174.3	-90.1	0	0	0	111.7	V212 L258 A260 P261 H264 W272 Y275	V212-F270 HydrophobicContact CG1-CZ 4.33Å; V212-F270 HydrophobicContact CG2-CD1 4.33Å; V212-F270 HydrophobicContact CG2-CE1 3.63Å; V212-F270 HydrophobicContact CG2-CE2 4.08Å; V212-F270 HydrophobicContact CG2-CZ 3.48Å; V212-F270 VanDerWaalsContact CG2-CZ 3.48Å; L258-F270 HydrophobicContact CD2-CD1 3.87Å; L258-F270 HydrophobicContact CD2-CE1 3.75Å; A260-F270 HydrophobicContact CB-CB 3.88Å; A260-F270 HydrophobicContact CB-CD2 3.88Å; A260-F270 HydrophobicContact CB-CG 3.95Å; P261-F270 HydrophobicContact CG-CE2 4.36Å; H264-F270 AromaticContact CE1-CD2 3.84Å; H264-F270 AromaticContact NE2-CD2 3.88Å; F270-W272 AromaticContact CE1-CD2 3.7Å; F270-W272 HydrophobicContact CE1-CD2 3.7Å; F270-W272 AromaticContact CE1-CE2 3.93Å; F270-W272 HydrophobicContact CE1-CE3 4.16Å; F270-W272 AromaticContact CE1-CG 3.85Å; F270-W272 HydrophobicContact CE1-CG 3.85Å; F270-W272 AromaticContact CZ-CD2 3.97Å; F270-W272 HydrophobicContact CZ-CD2 3.97Å; F270-W272 AromaticContact CZ-CE3 3.92Å; F270-W272 HydrophobicContact CZ-CE3 3.92Å; F270-W272 HydrophobicContact CZ-CG 4.43Å; F270-W272 HydrophobicContact CZ-CZ3 4.34Å; F270-Y275 AromaticContact CE2-CD1 3.85Å; F270-Y275 HydrophobicContact CE2-CD1 3.85Å; F270-Y275 HydrophobicContact CE2-CD2 4.14Å; F270-Y275 AromaticContact CE2-CG 3.61Å; F270-Y275 HydrophobicContact CE2-CG 3.61Å; F270-Y275 AromaticContact CZ-CD1 3.81Å; F270-Y275 HydrophobicContact CZ-CD1 3.81Å; F270-Y275 AromaticContact CZ-CG 3.92Å; F270-Y275 HydrophobicContact CZ-CG 3.92Å
271	V	95.4	Very high	93.3	Very high	70 Å²	70	78.3 Å²	78.3	42%	0.424	45%	0.45	S	S	.	.			trans	-120.3	126.3	178.1	179.2	0	0	0	0	109.9	D269 D273 D274 Y275	D269-V271 PolarHBondContact O-N 2.87Å; V271-D273 HydrophobicContact CG1-CB 4.45Å; V271-D274 HydrophobicContact CB-CB 4.33Å; V271-D274 HydrophobicContact CG1-CB 4.46Å; V271-Y275 PolarHBondContact O-N 2.99Å; V271-Y275 VanDerWaalsContact O-N 3.15Å
272	W	97.2	Very high	93.5	Very high	24 Å²	24	82.2 Å²	82.2	9%	0.091	47%	0.474	C	S	.	.	H	α-helix	trans	-64.4	-42.4	-177.3	-92.6	123.6	0	0	0	114	K198 E200 V212 V248 L258 F270 Y275 L276	K198-W272 HydrophobicContact CB-CH2 4.27Å; K198-W272 HydrophobicContact CB-CZ3 3.92Å; K198-W272 HydrophobicContact CD-CZ3 4.01Å; E200-W272 HydrophobicContact CG-CZ2 3.58Å; E200-W272 PolarHBondContact OE1-NE1 3.06Å; V212-W272 HydrophobicContact CB-CH2 4.11Å; V212-W272 HydrophobicContact CB-CZ2 4.38Å; V212-W272 HydrophobicContact CG1-CH2 3.63Å; V212-W272 HydrophobicContact CG1-CZ2 4.36Å; V212-W272 HydrophobicContact CG1-CZ3 3.95Å; V212-W272 HydrophobicContact CG2-CH2 3.95Å; V212-W272 HydrophobicContact CG2-CZ2 3.83Å; V248-W272 HydrophobicContact CB-CD2 4.4Å; V248-W272 HydrophobicContact CG1-CB 3.81Å; V248-W272 HydrophobicContact CG1-CD2 3.59Å; V248-W272 HydrophobicContact CG1-CE3 4.1Å; V248-W272 HydrophobicContact CG1-CG 3.48Å; V248-W272 VanDerWaalsContact CG1-CG 3.48Å; V248-W272 HydrophobicContact CG2-CD2 4.15Å; V248-W272 HydrophobicContact CG2-CE3 4.1Å; V248-W272 HydrophobicContact CG2-CH2 3.96Å; V248-W272 HydrophobicContact CG2-CZ2 4.03Å; V248-W272 HydrophobicContact CG2-CZ3 4.01Å; L258-W272 HydrophobicContact CD2-CZ2 4.13Å; F270-W272 AromaticContact CE1-CD2 3.7Å; F270-W272 HydrophobicContact CE1-CD2 3.7Å; F270-W272 AromaticContact CE1-CE2 3.93Å; F270-W272 HydrophobicContact CE1-CE3 4.16Å; F270-W272 AromaticContact CE1-CG 3.85Å; F270-W272 HydrophobicContact CE1-CG 3.85Å; F270-W272 AromaticContact CZ-CD2 3.97Å; F270-W272 HydrophobicContact CZ-CD2 3.97Å; F270-W272 AromaticContact CZ-CE3 3.92Å; F270-W272 HydrophobicContact CZ-CE3 3.92Å; F270-W272 HydrophobicContact CZ-CG 4.43Å; F270-W272 HydrophobicContact CZ-CZ3 4.34Å; W272-Y275 HydrophobicContact CE3-CD1 4.36Å; W272-Y275 HydrophobicContact CZ3-CD1 4.18Å; W272-Y275 PolarHBondContact O-N 3.05Å; W272-L276 HydrophobicContact CE3-CG 4.36Å; W272-L276 WeakPolarHBondContact O-CB 3.42Å; W272-L276 VanDerWaalsContact O-CG 3.26Å; W272-L276 WeakPolarHBondContact O-CG 3.17Å; W272-L276 PolarHBondContact O-N 3.44Å
273	D	96.7	Very high	93.8	Very high	125 Å²	125	79.3 Å²	79.3	67%	0.668	47%	0.467	S	S	*	.	H	α-helix	trans	-62.8	-45.6	-178.4	-74.4	-24.3	0	0	0	111.6	V271 L276 Q277	V271-D273 HydrophobicContact CG1-CB 4.45Å; D273-L276 PolarHBondContact O-N 3.39Å; D273-Q277 WeakPolarHBondContact O-CB 3.42Å; D273-Q277 PolarHBondContact O-N 3.27Å
274	D	95.8	Very high	94.3	Very high	95 Å²	95	75.9 Å²	75.9	51%	0.508	43%	0.431	S	S	.	.	H	α-helix	trans	-60.5	-47.7	175.3	-69.6	-24.1	0	0	0	110.5	V271 L276 Q277 E278	V271-D274 HydrophobicContact CB-CB 4.33Å; V271-D274 HydrophobicContact CG1-CB 4.46Å; D274-L276 PolarHBondContact O-N 3.43Å; D274-Q277 PolarHBondContact O-N 3.39Å; D274-E278 WeakPolarHBondContact O-CB 3.47Å; D274-E278 WeakPolarHBondContact O-CG 3.45Å; D274-E278 PolarHBondContact O-N 3.17Å
275	Y	96.9	Very high	94.6	Very high	21 Å²	21	76.6 Å²	76.6	8%	0.082	44%	0.439	C	S	.	.	H	α-helix	trans	-65.8	-37.5	-179	-171.5	-117.6	0	0	0	113.6	K198 V212 D228 P261 F270 V271 W272 E278 T279	K198-Y275 HydrophobicContact CD-CD1 4.02Å; K198-Y275 HydrophobicContact CD-CE1 3.78Å; V212-Y275 HydrophobicContact CG1-CD1 4.17Å; V212-Y275 HydrophobicContact CG1-CE1 3.69Å; D228-Y275 WeakPolarHBondContact OD2-CE1 3.45Å; D228-Y275 PolarHBondContact OD2-OH 2.73Å; D228-Y275 VanDerWaalsContact OD2-OH 3.06Å; P261-Y275 HydrophobicContact CG-CE1 3.98Å; P261-Y275 HydrophobicContact CG-CE2 4.04Å; F270-Y275 AromaticContact CE2-CD1 3.85Å; F270-Y275 HydrophobicContact CE2-CD1 3.85Å; F270-Y275 HydrophobicContact CE2-CD2 4.14Å; F270-Y275 AromaticContact CE2-CG 3.61Å; F270-Y275 HydrophobicContact CE2-CG 3.61Å; F270-Y275 AromaticContact CZ-CD1 3.81Å; F270-Y275 HydrophobicContact CZ-CD1 3.81Å; F270-Y275 AromaticContact CZ-CG 3.92Å; F270-Y275 HydrophobicContact CZ-CG 3.92Å; V271-Y275 PolarHBondContact O-N 2.99Å; V271-Y275 VanDerWaalsContact O-N 3.15Å; W272-Y275 HydrophobicContact CE3-CD1 4.36Å; W272-Y275 HydrophobicContact CZ3-CD1 4.18Å; W272-Y275 PolarHBondContact O-N 3.05Å; Y275-E278 PolarHBondContact O-N 3.05Å; Y275-T279 HydrophobicContact CD2-CG2 4.13Å; Y275-T279 HydrophobicContact CE1-CG2 4.18Å; Y275-T279 HydrophobicContact CE2-CG2 3.66Å; Y275-T279 WeakPolarHBondContact O-CB 3.22Å; Y275-T279 WeakPolarHBondContact O-CG2 3.27Å; Y275-T279 PolarHBondContact O-N 3.07Å; Y275-T279 PolarHBondContact O-OG1 3Å
276	L	97.4	Very high	95	Very high	24 Å²	24	75 Å²	75	13%	0.126	43%	0.43	C	S	.	.	H	α-helix	trans	-64.5	-40.7	173.2	-74.9	167.2	0	0	0	111.3	K198 V248 W272 D273 D274 G280 S281 A283	K198-L276 HydrophobicContact CB-CD2 4.12Å; K198-L276 HydrophobicContact CD-CD2 4.02Å; K198-L276 HydrophobicContact CG-CD2 4.24Å; V248-L276 HydrophobicContact CG1-CD1 4.46Å; W272-L276 HydrophobicContact CE3-CG 4.36Å; W272-L276 WeakPolarHBondContact O-CB 3.42Å; W272-L276 VanDerWaalsContact O-CG 3.26Å; W272-L276 WeakPolarHBondContact O-CG 3.17Å; W272-L276 PolarHBondContact O-N 3.44Å; D273-L276 PolarHBondContact O-N 3.39Å; D274-L276 PolarHBondContact O-N 3.43Å; L276-G280 WeakPolarHBondContact O-CA 3.45Å; L276-G280 PolarHBondContact O-N 2.67Å; L276-S281 PolarHBondContact O-N 2.79Å; L276-S281 VanDerWaalsContact O-N 3.12Å; L276-A283 HydrophobicContact CD1-CB 4.31Å
277	Q	97.1	Very high	95.3	Very high	164 Å²	164	76.7 Å²	76.7	77%	0.766	44%	0.442	S	S	*	.	H	α-helix	trans	-67.3	-43.3	175.5	-177.3	174.7	-20	0	0	112.3	D273 D274 G280	D273-Q277 WeakPolarHBondContact O-CB 3.42Å; D273-Q277 PolarHBondContact O-N 3.27Å; D274-Q277 PolarHBondContact O-N 3.39Å; Q277-G280 PolarHBondContact O-N 3.14Å
278	E	95.4	Very high	95.7	Very high	147 Å²	147	73.1 Å²	73.1	69%	0.687	42%	0.42	S	S	*	.	H	α-helix	trans	-63	-42.9	177.8	-76.8	-173.4	170.6	0	0	112.5	D274 Y275 G280	D274-E278 WeakPolarHBondContact O-CB 3.47Å; D274-E278 WeakPolarHBondContact O-CG 3.45Å; D274-E278 PolarHBondContact O-N 3.17Å; Y275-E278 PolarHBondContact O-N 3.05Å; E278-G280 VanDerWaalsContact C-N 3.35Å
279	T	95.9	Very high	96.1	Very high	54 Å²	54	65.7 Å²	65.7	33%	0.331	39%	0.385	S	S	.	.	H	α-helix	trans	-84.4	-7.6	-179.9	58.8	0	0	0	0	113.7	K198 Y275 S281	K198-T279 WeakPolarHBondContact CE-OG1 3.44Å; Y275-T279 HydrophobicContact CD2-CG2 4.13Å; Y275-T279 HydrophobicContact CE1-CG2 4.18Å; Y275-T279 HydrophobicContact CE2-CG2 3.66Å; Y275-T279 WeakPolarHBondContact O-CB 3.22Å; Y275-T279 WeakPolarHBondContact O-CG2 3.27Å; Y275-T279 PolarHBondContact O-N 3.07Å; Y275-T279 PolarHBondContact O-OG1 3Å; T279-S281 WeakPolarHBondContact CB-OG 3.42Å; T279-S281 PolarHBondContact O-N 3.09Å; T279-S281 PolarHBondContact O-OG 2.99Å; T279-S281 WeakPolarHBondContact OG1-CB 3.44Å; T279-S281 PolarHBondContact OG1-OG 3.43Å; T279-S281 VanDerWaalsContact OG1-OG 3.13Å
280	G	96.9	Very high	96.3	Very high	70 Å²	70	63.3 Å²	63.3	72%	0.722	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	24.5	-173.9	0	0	0	0	0	113.7	L276 Q277 E278	L276-G280 WeakPolarHBondContact O-CA 3.45Å; L276-G280 PolarHBondContact O-N 2.67Å; Q277-G280 PolarHBondContact O-N 3.14Å; E278-G280 VanDerWaalsContact C-N 3.35Å
281	S	97.4	Very high	96.3	Very high	31 Å²	31	66.9 Å²	66.9	22%	0.217	39%	0.394	C	S	.	.			trans	-97.2	168.6	-174.3	-59.4	0	0	0	0	111.4	K198 L276 T279	K198-S281 WeakPolarHBondContact CE-OG 3.33Å; L276-S281 PolarHBondContact O-N 2.79Å; L276-S281 VanDerWaalsContact O-N 3.12Å; T279-S281 WeakPolarHBondContact CB-OG 3.42Å; T279-S281 PolarHBondContact O-N 3.09Å; T279-S281 PolarHBondContact O-OG 2.99Å; T279-S281 WeakPolarHBondContact OG1-CB 3.44Å; T279-S281 PolarHBondContact OG1-OG 3.43Å; T279-S281 VanDerWaalsContact OG1-OG 3.13Å
282	T	97.7	Very high	96.3	Very high	88 Å²	88	65.6 Å²	65.6	54%	0.54	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	146.4	174.7	53.1	0	0	0	0	110.8	M197 K198	M197-T282 CarbonylContact C-O 3.41Å; M197-T282 VanDerWaalsContact CA-O 3.27Å; M197-T282 WeakPolarHBondContact CA-O 3.27Å; K198-T282 PolarHBondContact N-O 3.19Å
283	A	98.1	Very high	96.2	Very high	39 Å²	39	68.5 Å²	68.5	32%	0.322	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	141.6	168.1	0	0	0	0	0	110.1	V248 L276	V248-A283 HydrophobicContact CB-CB 3.89Å; V248-A283 HydrophobicContact CG1-CB 4.46Å; V248-A283 HydrophobicContact CG2-CB 3.66Å; L276-A283 HydrophobicContact CD1-CB 4.31Å
284	A	97.8	Very high	96.3	Very high	2 Å²	2	66 Å²	66	2%	0.017	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-60.2	131.7	167.8	0	0	0	0	0	109.3	F193 M197 K198 L199 S286 F289	F193-A284 HydrophobicContact CD1-CB 3.85Å; F193-A284 HydrophobicContact CE1-CB 3.65Å; M197-A284 HydrophobicContact CB-CB 4.16Å; M197-A284 HydrophobicContact SD-CB 4.31Å; K198-A284 PolarHBondContact O-N 3.18Å; L199-A284 HydrophobicContact CB-CB 4.44Å; A284-S286 PolarHBondContact O-N 3.22Å; A284-F289 HydrophobicContact CB-CE2 3.82Å; A284-F289 HydrophobicContact CB-CZ 3.83Å
285	P	95.9	Very high	96.4	Very high	51 Å²	51	63.2 Å²	63.2	33%	0.331	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-68.1	133.7	-172.7	26.9	-33.7	0	0	0	110.8	S287 A288 F289	P285-S287 PolarHBondContact O-N 3.32Å; P285-A288 HydrophobicContact CG-CB 4.03Å; P285-A288 WeakPolarHBondContact O-CB 3.43Å; P285-A288 PolarHBondContact O-N 3.27Å; P285-F289 WeakPolarHBondContact O-CD2 3.43Å
286	S	95.3	Very high	96.4	Very high	87 Å²	87	64.2 Å²	64.2	61%	0.608	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-58.2	-21.7	-176.8	-42.6	0	0	0	0	114.1	A284 A288	A284-S286 PolarHBondContact O-N 3.22Å; S286-A288 VanDerWaalsContact C-N 3.32Å
287	S	94.4	Very high	96.5	Very high	93 Å²	93	63.6 Å²	63.6	65%	0.65	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-68.8	-25.5	173.9	56.4	0	0	0	0	114.2	P285 F289	P285-S287 PolarHBondContact O-N 3.32Å; S287-F289 VanDerWaalsContact C-N 3.28Å; S287-F289 PolarHBondContact O-N 2.92Å
288	A	94.8	Very high	96.5	Very high	3 Å²	3	61.8 Å²	61.8	3%	0.025	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-76.5	-14.6	-179.3	0	0	0	0	0	112.9	E192 F193 S240 P285 S286 T290	E192-A288 HydrophobicContact CB-CB 3.75Å; F193-A288 HydrophobicContact CD2-CB 4.11Å; F193-A288 HydrophobicContact CE2-CB 3.64Å; F193-A288 WeakPolarHBondContact CE2-O 3.39Å; F193-A288 HydrophobicContact CZ-CB 3.96Å; S240-A288 VanDerWaalsContact CB-O 3.27Å; S240-A288 WeakPolarHBondContact CB-O 3.21Å; P285-A288 HydrophobicContact CG-CB 4.03Å; P285-A288 WeakPolarHBondContact O-CB 3.43Å; P285-A288 PolarHBondContact O-N 3.27Å; S286-A288 VanDerWaalsContact C-N 3.32Å; A288-T290 PolarHBondContact O-N 2.93Å
289	F	96.3	Very high	96.7	Very high	35 Å²	35	57.8 Å²	57.8	15%	0.154	38%	0.376	C	S	.	.			trans	-85.2	107.8	179.9	-64.7	-98.4	0	0	0	109.9	F193 L199 I245 H246 P247 A284 P285 S287	F193-F289 AromaticContact CE1-CE1 3.99Å; F193-F289 HydrophobicContact CE1-CE1 3.99Å; F193-F289 HydrophobicContact CE1-CE2 4.03Å; F193-F289 AromaticContact CE1-CZ 3.68Å; F193-F289 HydrophobicContact CE1-CZ 3.68Å; F193-F289 HydrophobicContact CZ-CD1 4.06Å; F193-F289 HydrophobicContact CZ-CD2 4.16Å; F193-F289 AromaticContact CZ-CE1 3.91Å; F193-F289 HydrophobicContact CZ-CE1 3.91Å; F193-F289 HydrophobicContact CZ-CE2 4.02Å; F193-F289 HydrophobicContact CZ-CG 4.19Å; F193-F289 AromaticContact CZ-CZ 3.9Å; F193-F289 HydrophobicContact CZ-CZ 3.9Å; L199-F289 HydrophobicContact CB-CZ 4.09Å; I245-F289 HydrophobicContact CB-CD1 4.49Å; I245-F289 HydrophobicContact CB-CE1 4.15Å; I245-F289 HydrophobicContact CD1-CD1 4.2Å; I245-F289 HydrophobicContact CD1-CE1 4.33Å; I245-F289 HydrophobicContact CG1-CD1 4.18Å; I245-F289 HydrophobicContact CG1-CE1 4.3Å; H246-F289 WeakPolarHBondContact O-CE1 3.19Å; H246-F289 WeakPolarHBondContact O-CZ 3.47Å; P247-F289 HydrophobicContact CB-CD2 4.1Å; P247-F289 HydrophobicContact CB-CE2 3.79Å; P247-F289 HydrophobicContact CB-CZ 4.2Å; A284-F289 HydrophobicContact CB-CE2 3.82Å; A284-F289 HydrophobicContact CB-CZ 3.83Å; P285-F289 WeakPolarHBondContact O-CD2 3.43Å; S287-F289 VanDerWaalsContact C-N 3.28Å; S287-F289 PolarHBondContact O-N 2.92Å
290	T	95	Very high	96.8	Very high	74 Å²	74	60.2 Å²	60.2	45%	0.454	39%	0.387	S	S	.	.			trans	-110.7	50.7	-172.6	60.1	0	0	0	0	111.6	S240 S241 A288 R292	S240-T290 VanDerWaalsContact C-OG1 3.31Å; S240-T290 WeakPolarHBondContact CB-OG1 3.39Å; S240-T290 PolarHBondContact O-N 3.4Å; S240-T290 PolarHBondContact O-OG1 2.95Å; S240-T290 PolarHBondContact OG-OG1 3.32Å; S241-T290 VanDerWaalsContact CA-O 3.22Å; S241-T290 WeakPolarHBondContact CA-O 3.41Å; S241-T290 WeakPolarHBondContact CB-O 3.31Å; S241-T290 PolarHBondContact N-OG1 3.01Å; A288-T290 PolarHBondContact O-N 2.93Å; T290-R292 PolarHBondContact O-N 3.29Å
291	L	95.4	Very high	96.8	Very high	107 Å²	107	57.7 Å²	57.7	56%	0.56	36%	0.356	S	S	*	.			trans	-41.9	120.1	-172.6	177.8	63	0	0	0	112.2	P243	P243-L291 HydrophobicContact CB-CD1 3.97Å
292	R	94.7	Very high	96.9	Very high	44 Å²	44	57.7 Å²	57.7	17%	0.166	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-66.1	154.3	-178.7	68.6	-160.4	-171.1	-176.5	9.4	112.7	S241 T290 Y325 D345	S241-R292 WeakPolarHBondContact O-CG 3.49Å; S241-R292 PolarHBondContact O-N 3.48Å; T290-R292 PolarHBondContact O-N 3.29Å; R292-Y325 HydrophobicContact CG-CD1 4.02Å; R292-Y325 HydrophobicContact CG-CE1 3.7Å; R292-Y325 VanDerWaalsContact O-CE1 3.27Å; R292-Y325 WeakPolarHBondContact O-CE1 3.33Å; R292-Y325 PolarHBondContact O-OH 3.14Å; R292-D345 IonicContact CZ-OD1 2.65Å; R292-D345 IonicContact CZ-OD2 2.69Å; R292-D345 IonicContact NH1-OD1 3.45Å; R292-D345 PolarHBondContact NH1-OD1 3.23Å; R292-D345 IonicContact NH1-OD2 2.87Å; R292-D345 PolarHBondContact NH1-OD2 2.82Å; R292-D345 IonicContact NH2-OD1 3.92Å; R292-D345 PolarHBondContact NH2-OD1 3.18Å; R292-D345 IonicContact NH2-OD2 3.85Å
293	A	96.4	Very high	96.9	Very high	84 Å²	84	53.5 Å²	53.5	69%	0.694	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-64.7	149.6	169.8	0	0	0	0	0	111.3
294	P	97.8	Very high	97	Very high	74 Å²	74	51.7 Å²	51.7	48%	0.481	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-56.1	152.6	169.6	-26.8	36.1	0	0	0	112.9	D324	P294-D324 CarbonylContact C-O 3.47Å; P294-D324 WeakPolarHBondContact CA-O 3.38Å; P294-D324 HydrophobicContact CB-CB 3.98Å; P294-D324 WeakPolarHBondContact CB-O 3.28Å; P294-D324 HydrophobicContact CG-CB 4.11Å
295	H	97.6	Very high	97	Very high	35 Å²	35	51.6 Å²	51.6	16%	0.162	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-80.5	154.7	-174.4	66	52.7	0	0	0	113.9	F297 E323 D324 R326 S344	H295-F297 HydrophobicContact CB-CD2 4.11Å; H295-F297 PolarHBondContact ND1-N 3.39Å; H295-E323 PolarHBondContact CE1-O 3.17Å; H295-E323 PolarHBondContact NE2-O 2.84Å; H295-D324 PolarHBondContact CD2-O 2.93Å; H295-D324 VanDerWaalsContact CD2-O 3.3Å; H295-D324 PolarHBondContact N-O 3.4Å; H295-R326 PolarHBondContact NE2-N 3.28Å; H295-R326 PolarHBondContact NE2-O 3.42Å; H295-R326 VanDerWaalsContact NE2-O 3.13Å; H295-S344 WeakPolarHBondContact CD2-CB 3.35Å; H295-S344 PolarHBondContact CD2-OG 2.85Å; H295-S344 VanDerWaalsContact CD2-OG 3.28Å
296	G	97.9	Very high	97.1	Very high	43 Å²	43	49.3 Å²	49.3	44%	0.443	30%	0.295	S	S	.	.			trans	-90	12.3	178.7	0	0	0	0	0	116.4	L75	L75-G296 WeakPolarHBondContact CD1-O 3.34Å
297	F	98.4	Very high	97.1	Very high	10 Å²	10	45.2 Å²	45.2	4%	0.044	27%	0.266	C	S	.	.			trans	-65.2	146.1	176	-72.5	-85.6	0	0	0	111.7	A71 L75 F76 H295 L303 V319 V327	A71-F297 HydrophobicContact CB-CD1 4.18Å; A71-F297 HydrophobicContact CB-CE1 3.85Å; L75-F297 HydrophobicContact CB-CD2 4.39Å; L75-F297 HydrophobicContact CB-CE1 4.15Å; L75-F297 HydrophobicContact CB-CE2 3.98Å; L75-F297 HydrophobicContact CB-CZ 3.85Å; L75-F297 HydrophobicContact CD1-CD1 3.95Å; L75-F297 HydrophobicContact CD1-CE1 4.26Å; L75-F297 HydrophobicContact CD1-CG 4.11Å; F76-F297 HydrophobicContact CD1-CZ 4.04Å; F76-F297 HydrophobicContact CD2-CZ 4.36Å; F76-F297 HydrophobicContact CE1-CE1 4Å; F76-F297 AromaticContact CE1-CZ 3.79Å; F76-F297 HydrophobicContact CE1-CZ 3.79Å; F76-F297 HydrophobicContact CE2-CE1 4.01Å; F76-F297 HydrophobicContact CE2-CZ 4.14Å; F76-F297 HydrophobicContact CG-CZ 4.33Å; F76-F297 AromaticContact CZ-CE1 3.65Å; F76-F297 HydrophobicContact CZ-CE1 3.65Å; F76-F297 AromaticContact CZ-CZ 3.86Å; F76-F297 HydrophobicContact CZ-CZ 3.86Å; H295-F297 HydrophobicContact CB-CD2 4.11Å; H295-F297 PolarHBondContact ND1-N 3.39Å; F297-L303 HydrophobicContact CE1-CD2 4.14Å; F297-V319 HydrophobicContact CD1-CG2 4.27Å; F297-V327 HydrophobicContact CB-CG1 3.68Å; F297-V327 HydrophobicContact CD2-CG1 3.97Å; F297-V327 HydrophobicContact CG-CG1 3.84Å
298	Q	98.2	Very high	97	Very high	127 Å²	127	46.3 Å²	46.3	59%	0.593	26%	0.256	S	S	*	.			trans	-126.1	149.5	178.5	-58.4	-175	3.7	0	0	109.9	H301	Q298-H301 PolarHBondContact N-ND1 2.98Å; Q298-H301 VanDerWaalsContact O-CB 3.29Å; Q298-H301 WeakPolarHBondContact O-CB 3.41Å; Q298-H301 PolarHBondContact O-N 2.93Å
299	V	98.3	Very high	96.7	Very high	63 Å²	63	49.6 Å²	49.6	38%	0.382	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	139.8	173.1	-177.9	0	0	0	0	109.9	V319 T322	V299-V319 CarbonylContact C-O 3.57Å; V299-V319 WeakPolarHBondContact CA-O 3.41Å; V299-T322 HydrophobicContact CG2-CG2 4.31Å
300	N	97.9	Very high	96.4	Very high	105 Å²	105	48.6 Å²	48.6	56%	0.561	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	-5.6	-171.7	-48.2	-75.7	0	0	0	116.9	R302 V319	N300-R302 PolarHBondContact O-N 2.81Å; N300-V319 PolarHBondContact N-O 3.17Å
301	H	98.5	Very high	96.3	Very high	16 Å²	16	47.7 Å²	47.7	7%	0.074	26%	0.259	C	S	.	.			trans	-57.5	132.1	168.9	-81.8	176.8	0	0	0	110.9	A71 Q298 T318 V319	A71-H301 HydrophobicContact CB-CB 4.02Å; Q298-H301 PolarHBondContact N-ND1 2.98Å; Q298-H301 VanDerWaalsContact O-CB 3.29Å; Q298-H301 WeakPolarHBondContact O-CB 3.41Å; Q298-H301 PolarHBondContact O-N 2.93Å; H301-T318 WeakPolarHBondContact O-CA 3.09Å; H301-V319 HydrophobicContact CB-CB 4.49Å; H301-V319 HydrophobicContact CB-CG2 4.2Å; H301-V319 PolarHBondContact O-N 2.86Å
302	R	98.6	Very high	96.2	Very high	32 Å²	32	44.3 Å²	44.3	12%	0.121	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	138.9	174.7	-54.6	-63	165.5	141.2	-5.7	111.5	W59 Y62 L63 A68 E69 A70 A71 N300 A317 T318 D332 V352	W59-R302 HydrophobicContact CH2-CB 4.32Å; W59-R302 HydrophobicContact CZ3-CB 3.91Å; Y62-R302 PolarHBondContact OH-NH1 3.48Å; L63-R302 HydrophobicContact CD2-CB 3.9Å; L63-R302 HydrophobicContact CD2-CG 3.75Å; A68-R302 HydrophobicContact CB-CG 3.88Å; E69-R302 PolarHBondContact O-N 3.47Å; A70-R302 WeakPolarHBondContact CA-O 3.44Å; A71-R302 PolarHBondContact N-O 3.16Å; N300-R302 PolarHBondContact O-N 2.81Å; R302-A317 WeakPolarHBondContact CA-O 3.42Å; R302-T318 WeakPolarHBondContact CD-OG1 3.31Å; R302-T318 PolarHBondContact NE-OG1 2.55Å; R302-T318 VanDerWaalsContact NE-OG1 3.14Å; R302-T318 PolarHBondContact NH1-OG1 2.98Å; R302-D332 IonicContact CZ-OD2 3.19Å; R302-D332 IonicContact NH1-OD1 2.72Å; R302-D332 IonicContact NH1-OD2 3.79Å; R302-D332 PolarHBondContact NH1-OD2 2.84Å; R302-V352 WeakPolarHBondContact O-CG2 3.41Å
303	L	98.6	Very high	96.2	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	176.9	-178.9	60.7	80.6	0	0	0	111.3	W59 A71 F76 F297 A305 A317 V319 V329 L349	W59-L303 WeakPolarHBondContact CH2-O 3.23Å; A71-L303 HydrophobicContact CB-CB 4.38Å; F76-L303 HydrophobicContact CZ-CB 4.07Å; F297-L303 HydrophobicContact CE1-CD2 4.14Å; L303-A305 HydrophobicContact CD1-CB 3.84Å; L303-A317 HydrophobicContact CD1-CB 4.03Å; L303-A317 PolarHBondContact N-O 2.81Å; L303-A317 PolarHBondContact O-N 3.06Å; L303-V319 HydrophobicContact CD2-CG2 3.68Å; L303-V329 HydrophobicContact CD1-CG1 4.35Å; L303-L349 HydrophobicContact CD1-CD2 3.65Å; L303-L349 HydrophobicContact CD2-CD2 4.28Å
304	E	98.6	Very high	96.3	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	131.2	171.3	-72	179.7	-158.3	0	0	109.4	W59 I314 R315 H350 G353 W354 S355 L362	W59-E304 HydrophobicContact CZ2-CG 3.55Å; W59-E304 PolarHBondContact NE1-OE1 3.47Å; E304-I314 HydrophobicContact CB-CG2 3.91Å; E304-R315 WeakPolarHBondContact CA-O 3.4Å; E304-H350 HydrophobicContact CB-CB 4.01Å; E304-H350 PolarHBondContact N-O 3.1Å; E304-H350 PolarHBondContact O-N 3.4Å; E304-G353 WeakPolarHBondContact OE1-CA 3.4Å; E304-G353 PolarHBondContact OE1-N 2.75Å; E304-W354 PolarHBondContact OE1-N 3.4Å; E304-S355 WeakPolarHBondContact OE2-CA 3.47Å; E304-S355 WeakPolarHBondContact OE2-CB 3.5Å; E304-S355 PolarHBondContact OE2-N 2.7Å; E304-S355 PolarHBondContact OE2-OG 3.3Å; E304-L362 HydrophobicContact CG-CD1 3.94Å; E304-L362 HydrophobicContact CG-CD2 4.36Å
305	A	98.5	Very high	96.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	141	-178.9	0	0	0	0	0	111.7	L303 I314 R315 A317 V329 Y331 M342 L349	L303-A305 HydrophobicContact CD1-CB 3.84Å; A305-I314 CarbonylContact O-C 3.56Å; A305-I314 WeakPolarHBondContact O-CA 3.35Å; A305-R315 PolarHBondContact N-O 2.89Å; A305-R315 VanDerWaalsContact N-O 3.09Å; A305-R315 PolarHBondContact O-N 3.12Å; A305-A317 HydrophobicContact CB-CB 4Å; A305-V329 HydrophobicContact CB-CG1 3.9Å; A305-Y331 HydrophobicContact CB-CE1 4.13Å; A305-M342 HydrophobicContact CB-CE 4.38Å; A305-L349 HydrophobicContact CB-CD2 4.02Å
306	V	97.9	Very high	96.3	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.018	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	140.3	170	179.2	0	0	0	0	110.3	R308 P311 L313 I314 Y331 D348	V306-R308 PolarHBondContact O-N 3.1Å; V306-P311 HydrophobicContact CG1-CB 4.07Å; V306-P311 WeakPolarHBondContact CG1-O 3.4Å; V306-L313 WeakPolarHBondContact CA-O 3.45Å; V306-I314 HydrophobicContact CG2-CD1 4.45Å; V306-I314 HydrophobicContact CG2-CG1 3.89Å; V306-Y331 PolarHBondContact O-OH 3.36Å; V306-D348 HydrophobicContact CB-CB 3.75Å; V306-D348 HydrophobicContact CG2-CB 3.58Å; V306-D348 WeakPolarHBondContact CG2-OD1 3.3Å; V306-D348 PolarHBondContact N-O 3.19Å; V306-D348 VanDerWaalsContact N-O 3.14Å
307	D	95.4	Very high	96.3	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	15%	0.154	C	C	.	.			trans	-74	111.7	174	-175.7	-39.3	0	0	0	110.7	R309 N310 P311 L313 R315 Y331 Y406	D307-R309 PolarHBondContact O-N 3.31Å; D307-R309 VanDerWaalsContact O-N 3.12Å; D307-R309 WeakPolarHBondContact OD1-CA 3.33Å; D307-R309 PolarHBondContact OD1-N 2.8Å; D307-N310 CarbonylContact O-C 3.57Å; D307-N310 PolarHBondContact O-N 2.75Å; D307-N310 VanDerWaalsContact O-N 3.12Å; D307-N310 PolarHBondContact OD1-N 2.97Å; D307-P311 WeakPolarHBondContact O-CA 3.39Å; D307-P311 VanDerWaalsContact O-N 3.11Å; D307-L313 HydrophobicContact CB-CB 4.08Å; D307-L313 PolarHBondContact N-O 3.45Å; D307-R315 HydrophobicContact CB-CG 4.43Å; D307-R315 IonicContact OD2-CZ 2.92Å; D307-R315 IonicContact OD2-NE 2.81Å; D307-R315 PolarHBondContact OD2-NE 2.91Å; D307-R315 IonicContact OD2-NH2 3.27Å; D307-R315 PolarHBondContact OD2-NH2 3.44Å; D307-Y331 WeakPolarHBondContact CA-OH 3.5Å; D307-Y406 VanDerWaalsContact CG-OH 3.32Å; D307-Y406 WeakPolarHBondContact OD2-CE1 3.21Å; D307-Y406 VanDerWaalsContact OD2-CZ 3.25Å; D307-Y406 PolarHBondContact OD2-OH 3.35Å
308	R	91.4	Very high	96.3	Very high	116 Å²	116	32 Å²	32	44%	0.438	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-23.8	-179.6	-75.3	-72.6	-170.5	147.3	-7.2	114.3	V306 Y331 V340 M342 H346	V306-R308 PolarHBondContact O-N 3.1Å; R308-Y331 PolarHBondContact N-OH 3.06Å; R308-Y331 VanDerWaalsContact N-OH 3.08Å; R308-V340 HydrophobicContact CB-CG1 4.29Å; R308-V340 HydrophobicContact CG-CB 4.37Å; R308-V340 HydrophobicContact CG-CG1 4.08Å; R308-V340 HydrophobicContact CG-CG2 4.06Å; R308-M342 HydrophobicContact CG-SD 4.46Å; R308-M342 PolarHBondContact NE-SD 3.46Å; R308-M342 PolarHBondContact NH2-SD 2.98Å; R308-M342 VanDerWaalsContact NH2-SD 3.4Å; R308-H346 PolarHBondContact NH2-CD2 2.79Å; R308-H346 PolarHBondContact NH2-CE1 2.57Å; R308-H346 PolarHBondContact NH2-NE2 2.88Å
309	R	88.7	Confident	96.4	Very high	72 Å²	72	26 Å²	26	27%	0.272	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-16.1	-180	-58.5	-173.7	69.5	90.2	2.3	112.9	D307 L338 P405 Y406 N410 M411	D307-R309 PolarHBondContact O-N 3.31Å; D307-R309 VanDerWaalsContact O-N 3.12Å; D307-R309 WeakPolarHBondContact OD1-CA 3.33Å; D307-R309 PolarHBondContact OD1-N 2.8Å; R309-L338 HydrophobicContact CG-CD2 4.4Å; R309-P405 HydrophobicContact CB-CB 4.21Å; R309-P405 VanDerWaalsContact CZ-O 3.27Å; R309-P405 PolarHBondContact NE-O 3.4Å; R309-P405 PolarHBondContact NH2-O 2.6Å; R309-Y406 HydrophobicContact CB-CE1 4.1Å; R309-N410 PolarHBondContact NH2-O 3.07Å; R309-M411 PolarHBondContact NH1-O 3.32Å
310	N	91.4	Very high	96.4	Very high	15 Å²	15	25.5 Å²	25.5	8%	0.08	12%	0.123	C	C	.	.	S	Bend	trans	-143.3	84.1	168	-174.8	-0.4	0	0	0	110.5	D307 M312 L313 V387 Y406	D307-N310 CarbonylContact O-C 3.57Å; D307-N310 PolarHBondContact O-N 2.75Å; D307-N310 VanDerWaalsContact O-N 3.12Å; D307-N310 PolarHBondContact OD1-N 2.97Å; N310-M312 PolarHBondContact O-N 3.35Å; N310-M312 WeakPolarHBondContact OD1-CB 3.48Å; N310-L313 HydrophobicContact CB-CD1 4.23Å; N310-L313 HydrophobicContact CB-CG 4.37Å; N310-L313 PolarHBondContact O-N 3.12Å; N310-V387 PolarHBondContact ND2-O 3.47Å; N310-Y406 WeakPolarHBondContact CB-OH 3.46Å
311	P	92.8	Very high	96.4	Very high	54 Å²	54	24 Å²	24	35%	0.351	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-4.3	-171.9	-26.3	36	0	0	0	116.2	R118 W133 V306 D307 L313	R118-P311 VanDerWaalsContact CZ-O 3.31Å; R118-P311 PolarHBondContact NH1-O 3.14Å; R118-P311 PolarHBondContact NH2-O 3.34Å; W133-P311 HydrophobicContact CB-CB 4.45Å; W133-P311 HydrophobicContact CG-CB 4.36Å; V306-P311 HydrophobicContact CG1-CB 4.07Å; V306-P311 WeakPolarHBondContact CG1-O 3.4Å; D307-P311 WeakPolarHBondContact O-CA 3.39Å; D307-P311 VanDerWaalsContact O-N 3.11Å; P311-L313 VanDerWaalsContact C-N 3.29Å
312	M	92.8	Very high	96.4	Very high	36 Å²	36	25.6 Å²	25.6	18%	0.177	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-22.1	168.5	-174.9	177.5	67.4	0	0	112.8	I115 W133 N310 H360 V387	I115-M312 HydrophobicContact CD1-CG 3.89Å; I115-M312 HydrophobicContact CD1-SD 4.48Å; W133-M312 HydrophobicContact CH2-CG 4.31Å; W133-M312 HydrophobicContact CZ2-CB 3.89Å; W133-M312 HydrophobicContact CZ2-CG 3.71Å; N310-M312 PolarHBondContact O-N 3.35Å; N310-M312 WeakPolarHBondContact OD1-CB 3.48Å; M312-H360 PolarHBondContact O-CE1 2.95Å; M312-H360 VanDerWaalsContact O-CE1 3.26Å; M312-V387 HydrophobicContact CE-CG1 3.27Å
313	L	94.9	Very high	96.3	Very high	16 Å²	16	28.1 Å²	28.1	8%	0.084	14%	0.139	C	C	.	.			trans	-100	139	-174.9	-55.4	-179.5	0	0	0	111.5	V306 D307 N310 P311 E363 V387	V306-L313 WeakPolarHBondContact CA-O 3.45Å; D307-L313 HydrophobicContact CB-CB 4.08Å; D307-L313 PolarHBondContact N-O 3.45Å; N310-L313 HydrophobicContact CB-CD1 4.23Å; N310-L313 HydrophobicContact CB-CG 4.37Å; N310-L313 PolarHBondContact O-N 3.12Å; P311-L313 VanDerWaalsContact C-N 3.29Å; L313-E363 HydrophobicContact CB-CG 4.32Å; L313-E363 HydrophobicContact CD1-CG 4.42Å; L313-E363 HydrophobicContact CD2-CG 4.07Å; L313-V387 HydrophobicContact CD2-CG1 4.08Å
314	I	97.8	Very high	96.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	137.9	162.8	-63.9	176.3	0	0	0	107.7	E304 A305 V306 W354 H360 L362 E363	E304-I314 HydrophobicContact CB-CG2 3.91Å; A305-I314 CarbonylContact O-C 3.56Å; A305-I314 WeakPolarHBondContact O-CA 3.35Å; V306-I314 HydrophobicContact CG2-CD1 4.45Å; V306-I314 HydrophobicContact CG2-CG1 3.89Å; I314-W354 HydrophobicContact CD1-CE3 3.95Å; I314-W354 HydrophobicContact CD1-CH2 4.27Å; I314-W354 HydrophobicContact CD1-CZ3 3.42Å; I314-W354 VanDerWaalsContact CD1-CZ3 3.42Å; I314-H360 HydrophobicContact CD1-CB 4.28Å; I314-L362 HydrophobicContact CG2-CD1 3.92Å; I314-E363 WeakPolarHBondContact O-CB 3.5Å; I314-E363 PolarHBondContact O-N 2.94Å
315	R	97.7	Very high	96.2	Very high	8 Å²	8	35.3 Å²	35.3	3%	0.03	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	153.9	-176.6	-60	-166.2	178.3	-72	0.4	112.4	E304 A305 D307 Y331 E363 Y406	E304-R315 WeakPolarHBondContact CA-O 3.4Å; A305-R315 PolarHBondContact N-O 2.89Å; A305-R315 VanDerWaalsContact N-O 3.09Å; A305-R315 PolarHBondContact O-N 3.12Å; D307-R315 HydrophobicContact CB-CG 4.43Å; D307-R315 IonicContact OD2-CZ 2.92Å; D307-R315 IonicContact OD2-NE 2.81Å; D307-R315 PolarHBondContact OD2-NE 2.91Å; D307-R315 IonicContact OD2-NH2 3.27Å; D307-R315 PolarHBondContact OD2-NH2 3.44Å; R315-Y331 HydrophobicContact CB-CD1 3.76Å; R315-Y331 HydrophobicContact CB-CE1 4.43Å; R315-Y331 HydrophobicContact CB-CG 4.49Å; R315-Y331 HydrophobicContact CG-CD1 4.12Å; R315-E363 HydrophobicContact CG-CB 4.18Å; R315-Y406 PolarHBondContact NH2-OH 2.87Å
316	V	98.3	Very high	96.2	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.012	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	125.6	157.7	176.7	0	0	0	0	108.3	W57 W59 Y62 D332 L362 E363 P365	W57-V316 HydrophobicContact CH2-CG2 3.42Å; W57-V316 VanDerWaalsContact CH2-CG2 3.42Å; W57-V316 HydrophobicContact CZ2-CG1 4.31Å; W57-V316 HydrophobicContact CZ2-CG2 3.45Å; W57-V316 VanDerWaalsContact CZ2-CG2 3.45Å; W57-V316 HydrophobicContact CZ3-CG2 4.27Å; W59-V316 HydrophobicContact CH2-CB 4.11Å; W59-V316 HydrophobicContact CH2-CG1 3.6Å; W59-V316 HydrophobicContact CH2-CG2 4.1Å; W59-V316 HydrophobicContact CZ2-CB 4.37Å; W59-V316 HydrophobicContact CZ2-CG1 4.31Å; W59-V316 HydrophobicContact CZ2-CG2 3.96Å; W59-V316 HydrophobicContact CZ3-CG1 3.92Å; Y62-V316 HydrophobicContact CD1-CG1 4.01Å; Y62-V316 HydrophobicContact CE1-CG1 3.55Å; V316-D332 HydrophobicContact CG1-CB 3.98Å; V316-D332 WeakPolarHBondContact CG1-OD2 3.39Å; V316-D332 PolarHBondContact O-N 3.47Å; V316-L362 HydrophobicContact CG2-CD1 4.18Å; V316-L362 HydrophobicContact CG2-CD2 4.07Å; V316-L362 HydrophobicContact CG2-CG 4.09Å; V316-E363 PolarHBondContact N-O 3.43Å; V316-P365 HydrophobicContact CB-CG 4.29Å; V316-P365 HydrophobicContact CG1-CG 4.05Å
317	A	98.6	Very high	96.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	160.5	-173.2	0	0	0	0	0	113.3	R302 L303 A305 V329 H330 Y331	R302-A317 WeakPolarHBondContact CA-O 3.42Å; L303-A317 HydrophobicContact CD1-CB 4.03Å; L303-A317 PolarHBondContact N-O 2.81Å; L303-A317 PolarHBondContact O-N 3.06Å; A305-A317 HydrophobicContact CB-CB 4Å; A317-V329 HydrophobicContact CB-CG1 3.69Å; A317-H330 CarbonylContact C-O 3.39Å; A317-H330 WeakPolarHBondContact CA-O 3.22Å; A317-H330 WeakPolarHBondContact CB-O 3.42Å; A317-Y331 HydrophobicContact CB-CD1 4.3Å
318	T	98.6	Very high	96.3	Very high	6 Å²	6	40.8 Å²	40.8	4%	0.037	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	138.9	-178.4	-58.8	0	0	0	0	110.9	H301 R302 T320 H330 D332	H301-T318 WeakPolarHBondContact O-CA 3.09Å; R302-T318 WeakPolarHBondContact CD-OG1 3.31Å; R302-T318 PolarHBondContact NE-OG1 2.55Å; R302-T318 VanDerWaalsContact NE-OG1 3.14Å; R302-T318 PolarHBondContact NH1-OG1 2.98Å; T318-T320 PolarHBondContact O-N 2.73Å; T318-H330 PolarHBondContact N-O 2.86Å; T318-H330 PolarHBondContact O-N 3.24Å; T318-D332 WeakPolarHBondContact CB-OD1 3.44Å; T318-D332 PolarHBondContact N-OD1 2.99Å; T318-D332 VanDerWaalsContact OG1-CG 3.3Å; T318-D332 PolarHBondContact OG1-OD1 2.89Å; T318-D332 PolarHBondContact OG1-OD2 3.29Å
319	V	98.8	Very high	96.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	113.4	165.9	-179.5	0	0	0	0	109	F297 V299 N300 H301 L303 D321 T322 V327 K328	F297-V319 HydrophobicContact CD1-CG2 4.27Å; V299-V319 CarbonylContact C-O 3.57Å; V299-V319 WeakPolarHBondContact CA-O 3.41Å; N300-V319 PolarHBondContact N-O 3.17Å; H301-V319 HydrophobicContact CB-CB 4.49Å; H301-V319 HydrophobicContact CB-CG2 4.2Å; H301-V319 PolarHBondContact O-N 2.86Å; L303-V319 HydrophobicContact CD2-CG2 3.68Å; V319-D321 WeakPolarHBondContact CG1-O 3.26Å; V319-T322 HydrophobicContact CG1-CG2 3.65Å; V319-V327 HydrophobicContact CG1-CB 4.29Å; V319-V327 HydrophobicContact CG1-CG1 4.34Å; V319-K328 CarbonylContact C-O 3.6Å; V319-K328 WeakPolarHBondContact CA-O 3.39Å
320	T	98.4	Very high	97.1	Very high	53 Å²	53	33.3 Å²	33.3	33%	0.325	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	-19.8	178.9	46.9	0	0	0	0	114	T318 K328 H330 D339	T318-T320 PolarHBondContact O-N 2.73Å; T320-K328 PolarHBondContact N-O 3.36Å; T320-H330 HydrophobicContact CG2-CB 3.45Å; T320-H330 VanDerWaalsContact CG2-CB 3.45Å; T320-D339 PolarHBondContact OG1-OD2 3.42Å
321	D	98.6	Very high	97.4	Very high	74 Å²	74	32.8 Å²	32.8	40%	0.396	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	160.4	-179.8	-153.6	-10.9	0	0	0	110.2	V319 K328 W341	V319-D321 WeakPolarHBondContact CG1-O 3.26Å; D321-K328 HydrophobicContact CB-CB 3.55Å; D321-K328 HydrophobicContact CB-CD 3.8Å; D321-K328 HydrophobicContact CB-CG 4.34Å; D321-K328 PolarHBondContact O-N 2.9Å; D321-W341 HydrophobicContact CB-CH2 3.67Å; D321-W341 HydrophobicContact CB-CZ2 3.88Å
322	T	98.2	Very high	97.6	Very high	50 Å²	50	30.4 Å²	30.4	31%	0.307	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	133.8	-173.2	53.1	0	0	0	0	112.2	V299 V319 V327	V299-T322 HydrophobicContact CG2-CG2 4.31Å; V319-T322 HydrophobicContact CG1-CG2 3.65Å; T322-V327 HydrophobicContact CG2-CG1 4.47Å
323	E	97.4	Very high	97.7	Very high	85 Å²	85	31.3 Å²	31.3	40%	0.397	17%	0.169	S	C	.	.			trans	-110.5	-172.6	162.7	-66.6	175.1	179.3	0	0	109.2	H295 Y325 R326 W341	H295-E323 PolarHBondContact CE1-O 3.17Å; H295-E323 PolarHBondContact NE2-O 2.84Å; E323-Y325 VanDerWaalsContact C-N 3.3Å; E323-Y325 PolarHBondContact O-N 3.19Å; E323-R326 HydrophobicContact CB-CB 4.42Å; E323-R326 PolarHBondContact N-O 2.93Å; E323-R326 IonicContact OE1-CZ 2.7Å; E323-R326 IonicContact OE1-NE 2.78Å; E323-R326 IonicContact OE1-NH2 3.14Å; E323-R326 PolarHBondContact OE1-NH2 3.05Å; E323-R326 IonicContact OE2-CZ 3.34Å; E323-R326 IonicContact OE2-NE 3.79Å; E323-R326 PolarHBondContact OE2-NE 3.01Å; E323-R326 IonicContact OE2-NH2 3.62Å; E323-R326 PolarHBondContact OE2-NH2 3.44Å; E323-W341 HydrophobicContact CB-CZ3 4.44Å; E323-W341 HydrophobicContact CG-CH2 3.84Å; E323-W341 HydrophobicContact CG-CZ3 3.89Å
324	D	96.9	Very high	97.6	Very high	105 Å²	105	32.1 Å²	32.1	56%	0.561	17%	0.171	S	C	*	.	S	Bend	trans	-64.1	-34.4	179.4	-67.8	-39	0	0	0	113.1	P294 H295	P294-D324 CarbonylContact C-O 3.47Å; P294-D324 WeakPolarHBondContact CA-O 3.38Å; P294-D324 HydrophobicContact CB-CB 3.98Å; P294-D324 WeakPolarHBondContact CB-O 3.28Å; P294-D324 HydrophobicContact CG-CB 4.11Å; H295-D324 PolarHBondContact CD2-O 2.93Å; H295-D324 VanDerWaalsContact CD2-O 3.3Å; H295-D324 PolarHBondContact N-O 3.4Å
325	Y	97	Very high	97.4	Very high	45 Å²	45	34.9 Å²	34.9	18%	0.176	19%	0.191	C	C	.	.	S	Bend	trans	-128.7	2	-170.5	-57.9	-61.8	0	0	0	114.4	P243 R292 E323 S344	P243-Y325 HydrophobicContact CB-CD1 4.21Å; P243-Y325 HydrophobicContact CB-CD2 3.41Å; P243-Y325 VanDerWaalsContact CB-CD2 3.41Å; P243-Y325 HydrophobicContact CB-CE1 4.37Å; P243-Y325 HydrophobicContact CB-CE2 3.62Å; P243-Y325 HydrophobicContact CB-CG 3.73Å; P243-Y325 HydrophobicContact CG-CD1 4.28Å; P243-Y325 HydrophobicContact CG-CD2 3.94Å; P243-Y325 HydrophobicContact CG-CG 3.77Å; R292-Y325 HydrophobicContact CG-CD1 4.02Å; R292-Y325 HydrophobicContact CG-CE1 3.7Å; R292-Y325 VanDerWaalsContact O-CE1 3.27Å; R292-Y325 WeakPolarHBondContact O-CE1 3.33Å; R292-Y325 PolarHBondContact O-OH 3.14Å; E323-Y325 VanDerWaalsContact C-N 3.3Å; E323-Y325 PolarHBondContact O-N 3.19Å; Y325-S344 PolarHBondContact O-N 3.03Å; Y325-S344 PolarHBondContact O-OG 3Å
326	R	97.8	Very high	97.2	Very high	63 Å²	63	39.2 Å²	39.2	24%	0.238	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	141.8	-175.7	-57.7	-167.5	-62.2	-178.5	2.3	111.1	Y244 H295 E323 W341 M342	Y244-R326 WeakPolarHBondContact OH-CD 3.43Å; H295-R326 PolarHBondContact NE2-N 3.28Å; H295-R326 PolarHBondContact NE2-O 3.42Å; H295-R326 VanDerWaalsContact NE2-O 3.13Å; E323-R326 HydrophobicContact CB-CB 4.42Å; E323-R326 PolarHBondContact N-O 2.93Å; E323-R326 IonicContact OE1-CZ 2.7Å; E323-R326 IonicContact OE1-NE 2.78Å; E323-R326 IonicContact OE1-NH2 3.14Å; E323-R326 PolarHBondContact OE1-NH2 3.05Å; E323-R326 IonicContact OE2-CZ 3.34Å; E323-R326 IonicContact OE2-NE 3.79Å; E323-R326 PolarHBondContact OE2-NE 3.01Å; E323-R326 IonicContact OE2-NH2 3.62Å; E323-R326 PolarHBondContact OE2-NH2 3.44Å; R326-W341 HydrophobicContact CB-CE3 3.91Å; R326-W341 HydrophobicContact CB-CZ3 4.28Å; R326-M342 CarbonylContact C-O 3.57Å; R326-M342 VanDerWaalsContact CA-O 3.26Å; R326-M342 WeakPolarHBondContact CA-O 3.45Å
327	V	98.4	Very high	96.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	141.5	172	-67	0	0	0	0	110.1	F297 V319 T322 V329 W341 M342 L349	F297-V327 HydrophobicContact CB-CG1 3.68Å; F297-V327 HydrophobicContact CD2-CG1 3.97Å; F297-V327 HydrophobicContact CG-CG1 3.84Å; V319-V327 HydrophobicContact CG1-CB 4.29Å; V319-V327 HydrophobicContact CG1-CG1 4.34Å; T322-V327 HydrophobicContact CG2-CG1 4.47Å; V327-V329 HydrophobicContact CG2-CG2 3.9Å; V327-W341 VanDerWaalsContact C-CE3 3.46Å; V327-M342 PolarHBondContact N-O 3.27Å; V327-M342 PolarHBondContact O-N 2.92Å; V327-L349 HydrophobicContact CG2-CD1 3.71Å
328	K	98.6	Very high	96.5	Very high	57 Å²	57	46 Å²	46	25%	0.248	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	127.6	168.4	-166.8	-179.3	178.1	-178.8	0	109.3	V319 T320 D321 D339 V340 W341	V319-K328 CarbonylContact C-O 3.6Å; V319-K328 WeakPolarHBondContact CA-O 3.39Å; T320-K328 PolarHBondContact N-O 3.36Å; D321-K328 HydrophobicContact CB-CB 3.55Å; D321-K328 HydrophobicContact CB-CD 3.8Å; D321-K328 HydrophobicContact CB-CG 4.34Å; D321-K328 PolarHBondContact O-N 2.9Å; K328-D339 HydrophobicContact CG-CB 4.32Å; K328-V340 WeakPolarHBondContact CA-O 3.5Å; K328-W341 HydrophobicContact CB-CD2 3.78Å; K328-W341 HydrophobicContact CB-CE3 3.79Å; K328-W341 HydrophobicContact CB-CG 4.47Å; K328-W341 HydrophobicContact CB-CH2 3.96Å; K328-W341 HydrophobicContact CB-CZ2 3.94Å; K328-W341 HydrophobicContact CB-CZ3 3.88Å; K328-W341 HydrophobicContact CD-CZ2 4.1Å; K328-W341 HydrophobicContact CG-CD2 4.17Å; K328-W341 HydrophobicContact CG-CG 4.43Å; K328-W341 HydrophobicContact CG-CZ2 4.45Å
329	V	98.4	Very high	96.4	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	120.8	-169	-178.5	0	0	0	0	109.9	L303 A305 A317 V327 D339 V340 M342 L349	L303-V329 HydrophobicContact CD1-CG1 4.35Å; A305-V329 HydrophobicContact CB-CG1 3.9Å; A317-V329 HydrophobicContact CB-CG1 3.69Å; V327-V329 HydrophobicContact CG2-CG2 3.9Å; V329-D339 VanDerWaalsContact O-CA 3.27Å; V329-D339 WeakPolarHBondContact O-CA 3.48Å; V329-V340 HydrophobicContact CB-CG2 4.33Å; V329-V340 PolarHBondContact N-O 3.03Å; V329-V340 PolarHBondContact O-N 3.19Å; V329-M342 HydrophobicContact CB-CE 4.02Å; V329-M342 HydrophobicContact CG1-CE 4.3Å; V329-M342 HydrophobicContact CG2-CE 3.77Å; V329-L349 HydrophobicContact CG2-CD2 4.09Å
330	H	98.4	Very high	96.2	Very high	30 Å²	30	48.6 Å²	48.6	14%	0.139	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	135.8	172.2	175.1	71.5	0	0	0	110.3	A317 T318 T320 D332 W334 D339	A317-H330 CarbonylContact C-O 3.39Å; A317-H330 WeakPolarHBondContact CA-O 3.22Å; A317-H330 WeakPolarHBondContact CB-O 3.42Å; T318-H330 PolarHBondContact N-O 2.86Å; T318-H330 PolarHBondContact O-N 3.24Å; T320-H330 HydrophobicContact CG2-CB 3.45Å; T320-H330 VanDerWaalsContact CG2-CB 3.45Å; H330-D332 IonicContact CD2-OD1 2.75Å; H330-W334 PolarHBondContact CE1-O 2.92Å; H330-D339 WeakPolarHBondContact CA-OD1 3.32Å; H330-D339 WeakPolarHBondContact CB-OD1 3.38Å; H330-D339 IonicContact CE1-OD1 3.61Å; H330-D339 IonicContact CG-OD1 3.84Å; H330-D339 IonicContact ND1-OD1 3.57Å; H330-D339 PolarHBondContact ND1-OD1 3.34Å
331	Y	97.6	Very high	96.1	Very high	4 Å²	4	50.3 Å²	50.3	2%	0.016	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	118.2	170.8	-56.1	-62.4	0	0	0	109.9	A305 V306 D307 R308 R315 A317 G333 W334 L338	A305-Y331 HydrophobicContact CB-CE1 4.13Å; V306-Y331 PolarHBondContact O-OH 3.36Å; D307-Y331 WeakPolarHBondContact CA-OH 3.5Å; R308-Y331 PolarHBondContact N-OH 3.06Å; R308-Y331 VanDerWaalsContact N-OH 3.08Å; R315-Y331 HydrophobicContact CB-CD1 3.76Å; R315-Y331 HydrophobicContact CB-CE1 4.43Å; R315-Y331 HydrophobicContact CB-CG 4.49Å; R315-Y331 HydrophobicContact CG-CD1 4.12Å; A317-Y331 HydrophobicContact CB-CD1 4.3Å; Y331-G333 PolarHBondContact O-N 2.81Å; Y331-W334 WeakPolarHBondContact O-CB 3.19Å; Y331-W334 PolarHBondContact O-N 3.29Å; Y331-L338 HydrophobicContact CD2-CB 4.18Å; Y331-L338 WeakPolarHBondContact CE2-O 3.39Å
332	D	97.1	Very high	95.9	Very high	4 Å²	4	47 Å²	47	2%	0.021	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	124.4	-165.4	-73.9	-1.9	0	0	0	112.4	Y62 R302 V316 T318 H330 P365 P366	Y62-D332 PolarHBondContact OH-OD2 3.2Å; Y62-D332 VanDerWaalsContact OH-OD2 3.04Å; R302-D332 IonicContact CZ-OD2 3.19Å; R302-D332 IonicContact NH1-OD1 2.72Å; R302-D332 IonicContact NH1-OD2 3.79Å; R302-D332 PolarHBondContact NH1-OD2 2.84Å; V316-D332 HydrophobicContact CG1-CB 3.98Å; V316-D332 WeakPolarHBondContact CG1-OD2 3.39Å; V316-D332 PolarHBondContact O-N 3.47Å; T318-D332 WeakPolarHBondContact CB-OD1 3.44Å; T318-D332 PolarHBondContact N-OD1 2.99Å; T318-D332 VanDerWaalsContact OG1-CG 3.3Å; T318-D332 PolarHBondContact OG1-OD1 2.89Å; T318-D332 PolarHBondContact OG1-OD2 3.29Å; H330-D332 IonicContact CD2-OD1 2.75Å; D332-P365 HydrophobicContact CB-CB 4.35Å; D332-P365 HydrophobicContact CB-CG 3.81Å; D332-P365 VanDerWaalsContact O-CA 3.31Å; D332-P365 WeakPolarHBondContact O-CA 3.42Å; D332-P365 VanDerWaalsContact O-CB 3.3Å; D332-P365 WeakPolarHBondContact O-CB 3.45Å; D332-P366 VanDerWaalsContact O-CD 3.28Å; D332-P366 WeakPolarHBondContact O-CD 3.37Å
333	G	93.5	Very high	95.8	Very high	55 Å²	55	45.9 Å²	45.9	57%	0.567	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.7	10.7	-178.7	0	0	0	0	0	115.2	Y331	Y331-G333 PolarHBondContact O-N 2.81Å
334	W	94	Very high	95.8	Very high	34 Å²	34	42.4 Å²	42.4	13%	0.129	22%	0.224	C	C	.	.	S	Bend	trans	-99.4	175.5	169.9	-69	82.1	0	0	0	111.9	H330 Y331 L338 P366 C384 Y406	H330-W334 PolarHBondContact CE1-O 2.92Å; Y331-W334 WeakPolarHBondContact O-CB 3.19Å; Y331-W334 PolarHBondContact O-N 3.29Å; W334-L338 HydrophobicContact CB-CD1 4.05Å; W334-L338 HydrophobicContact CD2-CD1 4.27Å; W334-L338 HydrophobicContact CE3-CD1 3.69Å; W334-L338 HydrophobicContact CG-CD1 4.45Å; W334-P366 HydrophobicContact CD2-CG 4.17Å; W334-P366 HydrophobicContact CG-CG 4.28Å; W334-P366 HydrophobicContact CZ2-CG 4.06Å; W334-C384 HydrophobicContact CH2-CB 4.41Å; W334-Y406 HydrophobicContact CE3-CD1 4.47Å; W334-Y406 HydrophobicContact CH2-CD2 4.19Å; W334-Y406 HydrophobicContact CH2-CE2 4.41Å; W334-Y406 HydrophobicContact CH2-CG 4.3Å; W334-Y406 HydrophobicContact CZ3-CD1 4.05Å; W334-Y406 HydrophobicContact CZ3-CD2 4.1Å; W334-Y406 AromaticContact CZ3-CG 3.77Å; W334-Y406 HydrophobicContact CZ3-CG 3.77Å
335	S	92.3	Very high	95.8	Very high	58 Å²	58	39.6 Å²	39.6	41%	0.406	21%	0.21	S	C	.	.			trans	-68.8	139.2	174	178.8	0	0	0	0	110.9	Q337 L338	S335-Q337 PolarHBondContact O-N 3.2Å; S335-Q337 VanDerWaalsContact O-N 3.1Å; S335-Q337 PolarHBondContact OG-N 2.88Å; S335-L338 WeakPolarHBondContact O-CB 3.47Å; S335-L338 PolarHBondContact O-N 2.81Å
336	T	93.7	Very high	95.8	Very high	98 Å²	98	39.4 Å²	39.4	60%	0.601	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-65	-10.9	175.4	52.7	0	0	0	0	114	L338 D339	T336-L338 PolarHBondContact O-N 2.92Å; T336-D339 WeakPolarHBondContact CA-OD1 3.43Å; T336-D339 WeakPolarHBondContact O-CB 3.3Å; T336-D339 VanDerWaalsContact O-CG 3.32Å; T336-D339 PolarHBondContact O-N 3.41Å; T336-D339 VanDerWaalsContact O-N 3.16Å
337	Q	91.1	Very high	95.7	Very high	133 Å²	133	39.3 Å²	39.3	62%	0.621	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-68.5	-11.6	168.1	-61	178.8	17	0	0	113.1	S335 M411	S335-Q337 PolarHBondContact O-N 3.2Å; S335-Q337 VanDerWaalsContact O-N 3.1Å; S335-Q337 PolarHBondContact OG-N 2.88Å; Q337-M411 HydrophobicContact CB-CE 3.52Å; Q337-M411 WeakPolarHBondContact O-CE 3.39Å
338	L	91.7	Very high	95.6	Very high	12 Å²	12	40.7 Å²	40.7	6%	0.063	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-96.1	2	172.8	-66.8	168.6	0	0	0	112.7	R309 Y331 W334 S335 T336 V340 Y406 M411	R309-L338 HydrophobicContact CG-CD2 4.4Å; Y331-L338 HydrophobicContact CD2-CB 4.18Å; Y331-L338 WeakPolarHBondContact CE2-O 3.39Å; W334-L338 HydrophobicContact CB-CD1 4.05Å; W334-L338 HydrophobicContact CD2-CD1 4.27Å; W334-L338 HydrophobicContact CE3-CD1 3.69Å; W334-L338 HydrophobicContact CG-CD1 4.45Å; S335-L338 WeakPolarHBondContact O-CB 3.47Å; S335-L338 PolarHBondContact O-N 2.81Å; T336-L338 PolarHBondContact O-N 2.92Å; L338-V340 PolarHBondContact O-N 3.43Å; L338-Y406 HydrophobicContact CD1-CD1 4.06Å; L338-Y406 HydrophobicContact CD2-CD1 4.21Å; L338-M411 HydrophobicContact CD2-CE 3.64Å; L338-M411 HydrophobicContact CD2-SD 3.56Å; L338-M411 VanDerWaalsContact CD2-SD 3.56Å; L338-M411 HydrophobicContact CG-CE 3.85Å; L338-M411 HydrophobicContact CG-SD 4.15Å
339	D	95.8	Very high	95.6	Very high	27 Å²	27	38 Å²	38	14%	0.144	21%	0.213	C	C	.	.			trans	-67.1	131.5	176.6	-70	13.4	0	0	0	110.2	T320 K328 V329 H330 T336	T320-D339 PolarHBondContact OG1-OD2 3.42Å; K328-D339 HydrophobicContact CG-CB 4.32Å; V329-D339 VanDerWaalsContact O-CA 3.27Å; V329-D339 WeakPolarHBondContact O-CA 3.48Å; H330-D339 WeakPolarHBondContact CA-OD1 3.32Å; H330-D339 WeakPolarHBondContact CB-OD1 3.38Å; H330-D339 IonicContact CE1-OD1 3.61Å; H330-D339 IonicContact CG-OD1 3.84Å; H330-D339 IonicContact ND1-OD1 3.57Å; H330-D339 PolarHBondContact ND1-OD1 3.34Å; T336-D339 WeakPolarHBondContact CA-OD1 3.43Å; T336-D339 WeakPolarHBondContact O-CB 3.3Å; T336-D339 VanDerWaalsContact O-CG 3.32Å; T336-D339 PolarHBondContact O-N 3.41Å; T336-D339 VanDerWaalsContact O-N 3.16Å
340	V	94.8	Very high	95.6	Very high	33 Å²	33	38 Å²	38	20%	0.2	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	135.9	-176	-64.6	0	0	0	0	111.7	R308 K328 V329 L338 M342	R308-V340 HydrophobicContact CB-CG1 4.29Å; R308-V340 HydrophobicContact CG-CB 4.37Å; R308-V340 HydrophobicContact CG-CG1 4.08Å; R308-V340 HydrophobicContact CG-CG2 4.06Å; K328-V340 WeakPolarHBondContact CA-O 3.5Å; V329-V340 HydrophobicContact CB-CG2 4.33Å; V329-V340 PolarHBondContact N-O 3.03Å; V329-V340 PolarHBondContact O-N 3.19Å; L338-V340 PolarHBondContact O-N 3.43Å; V340-M342 HydrophobicContact CG2-CE 4.01Å; V340-M342 HydrophobicContact CG2-CG 4.05Å; V340-M342 HydrophobicContact CG2-SD 4.12Å
341	W	96.1	Very high	95.6	Very high	89 Å²	89	37 Å²	37	34%	0.337	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	134.8	164.5	-77	106.7	0	0	0	109.6	D321 E323 R326 V327 K328	D321-W341 HydrophobicContact CB-CH2 3.67Å; D321-W341 HydrophobicContact CB-CZ2 3.88Å; E323-W341 HydrophobicContact CB-CZ3 4.44Å; E323-W341 HydrophobicContact CG-CH2 3.84Å; E323-W341 HydrophobicContact CG-CZ3 3.89Å; R326-W341 HydrophobicContact CB-CE3 3.91Å; R326-W341 HydrophobicContact CB-CZ3 4.28Å; V327-W341 VanDerWaalsContact C-CE3 3.46Å; K328-W341 HydrophobicContact CB-CD2 3.78Å; K328-W341 HydrophobicContact CB-CE3 3.79Å; K328-W341 HydrophobicContact CB-CG 4.47Å; K328-W341 HydrophobicContact CB-CH2 3.96Å; K328-W341 HydrophobicContact CB-CZ2 3.94Å; K328-W341 HydrophobicContact CB-CZ3 3.88Å; K328-W341 HydrophobicContact CD-CZ2 4.1Å; K328-W341 HydrophobicContact CG-CD2 4.17Å; K328-W341 HydrophobicContact CG-CG 4.43Å; K328-W341 HydrophobicContact CG-CZ2 4.45Å
342	M	95.1	Very high	95.6	Very high	5 Å²	5	38.8 Å²	38.8	3%	0.025	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	146.9	175.7	-61.7	-165.5	-74.8	0	0	110.6	A305 R308 R326 V327 V329 V340 S344 H346 L349	A305-M342 HydrophobicContact CB-CE 4.38Å; R308-M342 HydrophobicContact CG-SD 4.46Å; R308-M342 PolarHBondContact NE-SD 3.46Å; R308-M342 PolarHBondContact NH2-SD 2.98Å; R308-M342 VanDerWaalsContact NH2-SD 3.4Å; R326-M342 CarbonylContact C-O 3.57Å; R326-M342 VanDerWaalsContact CA-O 3.26Å; R326-M342 WeakPolarHBondContact CA-O 3.45Å; V327-M342 PolarHBondContact N-O 3.27Å; V327-M342 PolarHBondContact O-N 2.92Å; V329-M342 HydrophobicContact CB-CE 4.02Å; V329-M342 HydrophobicContact CG1-CE 4.3Å; V329-M342 HydrophobicContact CG2-CE 3.77Å; V340-M342 HydrophobicContact CG2-CE 4.01Å; V340-M342 HydrophobicContact CG2-CG 4.05Å; V340-M342 HydrophobicContact CG2-SD 4.12Å; M342-S344 PolarHBondContact O-N 3.18Å; M342-H346 HydrophobicContact CB-CB 4.48Å; M342-L349 HydrophobicContact CB-CD1 4.3Å; M342-L349 HydrophobicContact CE-CD1 4.33Å; M342-L349 HydrophobicContact CE-CD2 3.52Å; M342-L349 HydrophobicContact CE-CG 3.86Å
343	D	97.1	Very high	95.5	Very high	27 Å²	27	39.1 Å²	39.1	14%	0.144	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	136.1	169.3	-65.9	-21.4	0	0	0	109.3	K204 Y244 D345 H346	K204-D343 IonicContact NZ-OD2 2.78Å; K204-D343 PolarHBondContact NZ-OD2 3.45Å; Y244-D343 WeakPolarHBondContact CE2-OD1 3.2Å; Y244-D343 PolarHBondContact OH-OD1 3.24Å; D343-D345 WeakPolarHBondContact CB-OD1 3.46Å; D343-D345 PolarHBondContact O-N 2.67Å; D343-D345 VanDerWaalsContact O-N 3.17Å; D343-H346 HydrophobicContact CB-CB 4.34Å; D343-H346 WeakPolarHBondContact O-CB 3.25Å; D343-H346 PolarHBondContact O-N 3Å
344	S	97.1	Very high	95.6	Very high	11 Å²	11	36.6 Å²	36.6	8%	0.077	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-18.6	-172.3	58.7	0	0	0	0	114.8	Q80 H295 Y325 M342	Q80-S344 PolarHBondContact NE2-O 2.84Å; H295-S344 WeakPolarHBondContact CD2-CB 3.35Å; H295-S344 PolarHBondContact CD2-OG 2.85Å; H295-S344 VanDerWaalsContact CD2-OG 3.28Å; Y325-S344 PolarHBondContact O-N 3.03Å; Y325-S344 PolarHBondContact O-OG 3Å; M342-S344 PolarHBondContact O-N 3.18Å
345	D	96.2	Very high	95.7	Very high	47 Å²	47	35 Å²	35	25%	0.251	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	2.7	174.3	62.8	-46.7	0	0	0	113.3	T77 Q80 R292 D343	T77-D345 HydrophobicContact CG2-CB 3.73Å; Q80-D345 VanDerWaalsContact NE2-CA 3.28Å; Q80-D345 PolarHBondContact NE2-O 3.47Å; R292-D345 IonicContact CZ-OD1 2.65Å; R292-D345 IonicContact CZ-OD2 2.69Å; R292-D345 IonicContact NH1-OD1 3.45Å; R292-D345 PolarHBondContact NH1-OD1 3.23Å; R292-D345 IonicContact NH1-OD2 2.87Å; R292-D345 PolarHBondContact NH1-OD2 2.82Å; R292-D345 IonicContact NH2-OD1 3.92Å; R292-D345 PolarHBondContact NH2-OD1 3.18Å; R292-D345 IonicContact NH2-OD2 3.85Å; D343-D345 WeakPolarHBondContact CB-OD1 3.46Å; D343-D345 PolarHBondContact O-N 2.67Å; D343-D345 VanDerWaalsContact O-N 3.17Å
346	H	96.8	Very high	95.8	Very high	40 Å²	40	40.1 Å²	40.1	19%	0.185	21%	0.21	C	C	.	.			trans	-55.3	132.3	-177.4	-168.7	-85.7	0	0	0	111.3	Q80 R308 M342 D343 D348 L349	Q80-H346 WeakPolarHBondContact CG-O 3.23Å; Q80-H346 PolarHBondContact NE2-O 2.91Å; R308-H346 PolarHBondContact NH2-CD2 2.79Å; R308-H346 PolarHBondContact NH2-CE1 2.57Å; R308-H346 PolarHBondContact NH2-NE2 2.88Å; M342-H346 HydrophobicContact CB-CB 4.48Å; D343-H346 HydrophobicContact CB-CB 4.34Å; D343-H346 WeakPolarHBondContact O-CB 3.25Å; D343-H346 PolarHBondContact O-N 3Å; H346-D348 IonicContact CE1-OD2 3.23Å; H346-D348 PolarHBondContact CE1-OD2 3.18Å; H346-D348 PolarHBondContact ND1-N 3.43Å; H346-D348 IonicContact ND1-OD2 2.7Å; H346-D348 PolarHBondContact O-N 3.22Å; H346-D348 VanDerWaalsContact O-N 3.1Å; H346-L349 HydrophobicContact CB-CD1 4.4Å; H346-L349 WeakPolarHBondContact O-CB 3.27Å; H346-L349 PolarHBondContact O-N 3.37Å
347	P	95.8	Very high	95.7	Very high	61 Å²	61	43.8 Å²	43.8	40%	0.396	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-14.3	-168.7	26.6	-36.3	0	0	0	114.8	N135 H350	N135-P347 PolarHBondContact ND2-O 2.7Å; P347-H350 PolarHBondContact O-CE1 2.77Å
348	D	97.2	Very high	95.8	Very high	30 Å²	30	38.5 Å²	38.5	16%	0.16	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	7.8	175	-72.5	-36.7	0	0	0	114.2	R118 V306 H346	R118-D348 IonicContact NH2-OD1 3.34Å; V306-D348 HydrophobicContact CB-CB 3.75Å; V306-D348 HydrophobicContact CG2-CB 3.58Å; V306-D348 WeakPolarHBondContact CG2-OD1 3.3Å; V306-D348 PolarHBondContact N-O 3.19Å; V306-D348 VanDerWaalsContact N-O 3.14Å; H346-D348 IonicContact CE1-OD2 3.23Å; H346-D348 PolarHBondContact CE1-OD2 3.18Å; H346-D348 PolarHBondContact ND1-N 3.43Å; H346-D348 IonicContact ND1-OD2 2.7Å; H346-D348 PolarHBondContact O-N 3.22Å; H346-D348 VanDerWaalsContact O-N 3.1Å
349	L	97.9	Very high	95.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	129.5	171.7	-78.8	175.2	0	0	0	110.3	Q80 L303 A305 V327 V329 M342 H346	Q80-L349 WeakPolarHBondContact CB-O 3.35Å; Q80-L349 WeakPolarHBondContact CG-O 3.33Å; L303-L349 HydrophobicContact CD1-CD2 3.65Å; L303-L349 HydrophobicContact CD2-CD2 4.28Å; A305-L349 HydrophobicContact CB-CD2 4.02Å; V327-L349 HydrophobicContact CG2-CD1 3.71Å; V329-L349 HydrophobicContact CG2-CD2 4.09Å; M342-L349 HydrophobicContact CB-CD1 4.3Å; M342-L349 HydrophobicContact CE-CD1 4.33Å; M342-L349 HydrophobicContact CE-CD2 3.52Å; M342-L349 HydrophobicContact CE-CG 3.86Å; H346-L349 HydrophobicContact CB-CD1 4.4Å; H346-L349 WeakPolarHBondContact O-CB 3.27Å; H346-L349 PolarHBondContact O-N 3.37Å
350	H	98.2	Very high	95.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	147.5	-169.3	-59.6	-56.1	0	0	0	113.3	Q80 E304 P347 W354	Q80-H350 PolarHBondContact O-ND1 3.36Å; E304-H350 HydrophobicContact CB-CB 4.01Å; E304-H350 PolarHBondContact N-O 3.1Å; E304-H350 PolarHBondContact O-N 3.4Å; P347-H350 PolarHBondContact O-CE1 2.77Å; H350-W354 HydrophobicContact CB-CB 3.7Å; H350-W354 HydrophobicContact CB-CD2 4.06Å; H350-W354 HydrophobicContact CB-CG 3.64Å; H350-W354 AromaticContact CD2-CD2 3.92Å; H350-W354 AromaticContact CD2-CE3 3.98Å; H350-W354 AromaticContact CE1-CE2 3.49Å; H350-W354 VanDerWaalsContact CE1-CE2 3.49Å; H350-W354 AromaticContact CE1-CZ2 3.41Å; H350-W354 VanDerWaalsContact CE1-CZ2 3.41Å; H350-W354 WeakPolarHBondContact CE1-CZ2 3.45Å; H350-W354 AromaticContact CE1-NE1 3.73Å; H350-W354 AromaticContact CG-CD1 3.85Å; H350-W354 AromaticContact CG-CD2 3.68Å; H350-W354 AromaticContact CG-CE2 3.77Å; H350-W354 AromaticContact CG-CG 3.76Å; H350-W354 AromaticContact CG-NE1 3.88Å; H350-W354 AromaticContact ND1-CD1 3.63Å; H350-W354 AromaticContact ND1-CD2 3.84Å; H350-W354 AromaticContact ND1-CE2 3.42Å; H350-W354 AromaticContact ND1-CG 3.98Å; H350-W354 AromaticContact ND1-CZ2 3.86Å; H350-W354 AromaticContact ND1-NE1 3.3Å; H350-W354 PolarHBondContact ND1-NE1 2.72Å; H350-W354 AromaticContact NE2-CE2 3.87Å; H350-W354 AromaticContact NE2-CH2 3.75Å; H350-W354 AromaticContact NE2-CZ2 3.63Å
351	P	97.8	Very high	95.8	Very high	9 Å²	9	41.9 Å²	41.9	6%	0.058	22%	0.224	C	C	.	.			trans	-67.9	153.9	173	28.4	-34.4	0	0	0	111.7	F76 Q80 G353 W354	F76-P351 HydrophobicContact CD2-CB 3.83Å; F76-P351 HydrophobicContact CD2-CG 4.39Å; F76-P351 HydrophobicContact CE2-CB 3.73Å; F76-P351 HydrophobicContact CG-CB 4.33Å; F76-P351 HydrophobicContact CG-CG 4.45Å; F76-P351 HydrophobicContact CZ-CB 4.16Å; Q80-P351 WeakPolarHBondContact O-CD 3.4Å; P351-G353 PolarHBondContact O-N 3.43Å; P351-W354 VanDerWaalsContact O-CB 3.25Å; P351-W354 WeakPolarHBondContact O-CB 3.15Å; P351-W354 PolarHBondContact O-N 3.05Å; P351-W354 VanDerWaalsContact O-N 3.1Å
352	V	97.6	Very high	95.8	Very high	42 Å²	42	39.3 Å²	39.3	26%	0.255	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	127.8	174.7	162.7	0	0	0	0	111.8	W59 A70 R302	W59-V352 HydrophobicContact CB-CG1 3.86Å; W59-V352 HydrophobicContact CD2-CB 4.32Å; W59-V352 HydrophobicContact CD2-CG1 3.55Å; W59-V352 HydrophobicContact CD2-CG2 4.01Å; W59-V352 HydrophobicContact CE3-CG1 4.04Å; W59-V352 HydrophobicContact CE3-CG2 3.96Å; W59-V352 HydrophobicContact CG-CG1 3.48Å; W59-V352 VanDerWaalsContact CG-CG1 3.48Å; W59-V352 HydrophobicContact CH2-CG2 3.86Å; W59-V352 HydrophobicContact CZ2-CG2 3.93Å; W59-V352 HydrophobicContact CZ3-CG2 3.89Å; A70-V352 HydrophobicContact CB-CB 3.88Å; A70-V352 HydrophobicContact CB-CG1 4.33Å; A70-V352 HydrophobicContact CB-CG2 3.62Å; R302-V352 WeakPolarHBondContact O-CG2 3.41Å
353	G	95.4	Very high	95.8	Very high	11 Å²	11	40.7 Å²	40.7	11%	0.113	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.5	1.4	-179.3	0	0	0	0	0	114.7	E304 P351 Q356 R357	E304-G353 WeakPolarHBondContact OE1-CA 3.4Å; E304-G353 PolarHBondContact OE1-N 2.75Å; P351-G353 PolarHBondContact O-N 3.43Å; G353-Q356 PolarHBondContact O-N 3.35Å; G353-R357 VanDerWaalsContact O-CG 3.31Å; G353-R357 WeakPolarHBondContact O-CG 3.39Å; G353-R357 PolarHBondContact O-N 2.8Å; G353-R357 VanDerWaalsContact O-N 3.1Å
354	W	96.4	Very high	95.6	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.008	22%	0.221	C	C	.	.	H	α-helix	trans	-57.8	-52	177.2	-174.8	105	0	0	0	111.5	Q80 S81 C117 R118 E304 I314 H350 P351 Q356 R357 T358 H360	Q80-W354 PolarHBondContact O-NE1 3.29Å; S81-W354 PolarHBondContact O-NE1 3.19Å; S81-W354 VanDerWaalsContact O-NE1 3.11Å; C117-W354 WeakPolarHBondContact SG-CH2 3.38Å; C117-W354 WeakPolarHBondContact SG-CZ2 3.26Å; R118-W354 HydrophobicContact CG-CH2 3.79Å; R118-W354 HydrophobicContact CG-CZ3 4.47Å; E304-W354 PolarHBondContact OE1-N 3.4Å; I314-W354 HydrophobicContact CD1-CE3 3.95Å; I314-W354 HydrophobicContact CD1-CH2 4.27Å; I314-W354 HydrophobicContact CD1-CZ3 3.42Å; I314-W354 VanDerWaalsContact CD1-CZ3 3.42Å; H350-W354 HydrophobicContact CB-CB 3.7Å; H350-W354 HydrophobicContact CB-CD2 4.06Å; H350-W354 HydrophobicContact CB-CG 3.64Å; H350-W354 AromaticContact CD2-CD2 3.92Å; H350-W354 AromaticContact CD2-CE3 3.98Å; H350-W354 AromaticContact CE1-CE2 3.49Å; H350-W354 VanDerWaalsContact CE1-CE2 3.49Å; H350-W354 AromaticContact CE1-CZ2 3.41Å; H350-W354 VanDerWaalsContact CE1-CZ2 3.41Å; H350-W354 WeakPolarHBondContact CE1-CZ2 3.45Å; H350-W354 AromaticContact CE1-NE1 3.73Å; H350-W354 AromaticContact CG-CD1 3.85Å; H350-W354 AromaticContact CG-CD2 3.68Å; H350-W354 AromaticContact CG-CE2 3.77Å; H350-W354 AromaticContact CG-CG 3.76Å; H350-W354 AromaticContact CG-NE1 3.88Å; H350-W354 AromaticContact ND1-CD1 3.63Å; H350-W354 AromaticContact ND1-CD2 3.84Å; H350-W354 AromaticContact ND1-CE2 3.42Å; H350-W354 AromaticContact ND1-CG 3.98Å; H350-W354 AromaticContact ND1-CZ2 3.86Å; H350-W354 AromaticContact ND1-NE1 3.3Å; H350-W354 PolarHBondContact ND1-NE1 2.72Å; H350-W354 AromaticContact NE2-CE2 3.87Å; H350-W354 AromaticContact NE2-CH2 3.75Å; H350-W354 AromaticContact NE2-CZ2 3.63Å; P351-W354 VanDerWaalsContact O-CB 3.25Å; P351-W354 WeakPolarHBondContact O-CB 3.15Å; P351-W354 PolarHBondContact O-N 3.05Å; P351-W354 VanDerWaalsContact O-N 3.1Å; W354-Q356 VanDerWaalsContact C-N 3.32Å; W354-Q356 PolarHBondContact O-N 3.46Å; W354-R357 WeakPolarHBondContact O-CB 3.4Å; W354-R357 PolarHBondContact O-N 3.39Å; W354-T358 HydrophobicContact CD2-CG2 3.78Å; W354-T358 HydrophobicContact CE3-CG2 4.04Å; W354-T358 HydrophobicContact CG-CG2 4.32Å; W354-T358 HydrophobicContact CH2-CG2 4.27Å; W354-T358 HydrophobicContact CZ2-CG2 4.04Å; W354-T358 HydrophobicContact CZ3-CG2 4.25Å; W354-T358 WeakPolarHBondContact CZ3-OG1 3.34Å; W354-T358 WeakPolarHBondContact O-CG2 3.32Å; W354-T358 PolarHBondContact O-N 3.43Å; W354-T358 PolarHBondContact O-OG1 3.29Å; W354-T358 VanDerWaalsContact O-OG1 3.1Å; W354-H360 HydrophobicContact CZ3-CB 4.16Å
355	S	95.6	Very high	95.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-58.8	-42.1	-178.9	-63.3	0	0	0	0	112	E304 R357 T358 G359 H360	E304-S355 WeakPolarHBondContact OE2-CA 3.47Å; E304-S355 WeakPolarHBondContact OE2-CB 3.5Å; E304-S355 PolarHBondContact OE2-N 2.7Å; E304-S355 PolarHBondContact OE2-OG 3.3Å; S355-R357 VanDerWaalsContact C-N 3.33Å; S355-R357 PolarHBondContact O-N 3.43Å; S355-T358 PolarHBondContact O-N 2.91Å; S355-T358 PolarHBondContact O-OG1 3.19Å; S355-G359 CarbonylContact O-C 2.96Å; S355-G359 WeakPolarHBondContact O-CA 3.03Å; S355-G359 PolarHBondContact O-N 3.25Å; S355-H360 CarbonylContact C-O 3.56Å; S355-H360 WeakPolarHBondContact CB-O 3.22Å; S355-H360 PolarHBondContact O-N 3.11Å
356	Q	93.8	Very high	95	Very high	166 Å²	166	39.8 Å²	39.8	78%	0.776	22%	0.221	S	C	*	.	H	α-helix	trans	-63.4	-37.6	176.1	-174.8	-178.9	2.1	0	0	112.3	G353 W354	G353-Q356 PolarHBondContact O-N 3.35Å; W354-Q356 VanDerWaalsContact C-N 3.32Å; W354-Q356 PolarHBondContact O-N 3.46Å
357	R	92.8	Very high	94	Very high	174 Å²	174	41.8 Å²	41.8	66%	0.657	25%	0.252	S	S	*	.	H	α-helix	trans	-76.4	-36.4	179.6	-72	172.6	60.7	-169.7	-1.2	112.9	G353 W354 S355	G353-R357 VanDerWaalsContact O-CG 3.31Å; G353-R357 WeakPolarHBondContact O-CG 3.39Å; G353-R357 PolarHBondContact O-N 2.8Å; G353-R357 VanDerWaalsContact O-N 3.1Å; W354-R357 WeakPolarHBondContact O-CB 3.4Å; W354-R357 PolarHBondContact O-N 3.39Å; S355-R357 VanDerWaalsContact C-N 3.33Å; S355-R357 PolarHBondContact O-N 3.43Å
358	T	93	Very high	92.7	Very high	22 Å²	22	41.4 Å²	41.4	14%	0.135	25%	0.251	C	S	.	.	H	α-helix	trans	-86.6	-16	-178.3	61.9	0	0	0	0	112.9	C82 G116 C117 W354 S355	C82-T358 HydrophobicContact CB-CG2 4.35Å; G116-T358 CarbonylContact C-O 3.01Å; G116-T358 WeakPolarHBondContact CA-O 3.32Å; C117-T358 HydrophobicContact CB-CG2 4.32Å; C117-T358 WeakPolarHBondContact SG-CG2 3.48Å; W354-T358 HydrophobicContact CD2-CG2 3.78Å; W354-T358 HydrophobicContact CE3-CG2 4.04Å; W354-T358 HydrophobicContact CG-CG2 4.32Å; W354-T358 HydrophobicContact CH2-CG2 4.27Å; W354-T358 HydrophobicContact CZ2-CG2 4.04Å; W354-T358 HydrophobicContact CZ3-CG2 4.25Å; W354-T358 WeakPolarHBondContact CZ3-OG1 3.34Å; W354-T358 WeakPolarHBondContact O-CG2 3.32Å; W354-T358 PolarHBondContact O-N 3.43Å; W354-T358 PolarHBondContact O-OG1 3.29Å; W354-T358 VanDerWaalsContact O-OG1 3.1Å; S355-T358 PolarHBondContact O-N 2.91Å; S355-T358 PolarHBondContact O-OG1 3.19Å
359	G	92.6	Very high	90.9	Very high	54 Å²	54	41.8 Å²	41.8	56%	0.557	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.2	18.5	-176.9	0	0	0	0	0	113.8	S355	S355-G359 CarbonylContact O-C 2.96Å; S355-G359 WeakPolarHBondContact O-CA 3.03Å; S355-G359 PolarHBondContact O-N 3.25Å
360	H	94.7	Very high	88.7	Confident	10 Å²	10	45.5 Å²	45.5	5%	0.046	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-81.8	140.9	172.6	-159.2	-74.1	0	0	0	110.4	I115 R118 M312 I314 W354 S355 L362	I115-H360 PolarHBondContact O-CD2 3.41Å; R118-H360 PolarHBondContact NH1-NE2 2.82Å; M312-H360 PolarHBondContact O-CE1 2.95Å; M312-H360 VanDerWaalsContact O-CE1 3.26Å; I314-H360 HydrophobicContact CD1-CB 4.28Å; W354-H360 HydrophobicContact CZ3-CB 4.16Å; S355-H360 CarbonylContact C-O 3.56Å; S355-H360 WeakPolarHBondContact CB-O 3.22Å; S355-H360 PolarHBondContact O-N 3.11Å; H360-L362 PolarHBondContact O-N 3.37Å
361	P	95.1	Very high	86.5	Confident	80 Å²	80	53 Å²	53	52%	0.519	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-63.4	131.4	167.6	-21.4	33.8	0	0	0	110.9	I115	I115-P361 HydrophobicContact CG2-CG 4.23Å
362	L	95.8	Very high	84.1	Confident	35 Å²	35	57.1 Å²	57.1	18%	0.183	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	123.6	171.3	178.7	61.7	0	0	0	109	W57 W59 E304 I314 V316 H360 P364	W57-L362 HydrophobicContact CE3-CD2 4.47Å; W57-L362 HydrophobicContact CH2-CD2 3.94Å; W57-L362 HydrophobicContact CZ3-CD2 3.55Å; W59-L362 HydrophobicContact CZ2-CD2 4.16Å; E304-L362 HydrophobicContact CG-CD1 3.94Å; E304-L362 HydrophobicContact CG-CD2 4.36Å; I314-L362 HydrophobicContact CG2-CD1 3.92Å; V316-L362 HydrophobicContact CG2-CD1 4.18Å; V316-L362 HydrophobicContact CG2-CD2 4.07Å; V316-L362 HydrophobicContact CG2-CG 4.09Å; H360-L362 PolarHBondContact O-N 3.37Å; L362-P364 WeakPolarHBondContact O-CD 3.29Å
363	E	94.8	Very high	81.4	Confident	33 Å²	33	59.3 Å²	59.3	15%	0.154	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	113.5	174.3	-73.4	-62.3	149.1	0	0	110.1	L313 I314 R315 V316 R385	L313-E363 HydrophobicContact CB-CG 4.32Å; L313-E363 HydrophobicContact CD1-CG 4.42Å; L313-E363 HydrophobicContact CD2-CG 4.07Å; I314-E363 WeakPolarHBondContact O-CB 3.5Å; I314-E363 PolarHBondContact O-N 2.94Å; R315-E363 HydrophobicContact CG-CB 4.18Å; V316-E363 PolarHBondContact N-O 3.43Å; E363-R385 IonicContact OE1-NH1 2.73Å; E363-R385 IonicContact OE2-CZ 2.7Å; E363-R385 VanDerWaalsContact OE2-CZ 3.23Å; E363-R385 IonicContact OE2-NE 3.18Å; E363-R385 IonicContact OE2-NH1 3.98Å; E363-R385 PolarHBondContact OE2-NH1 3.45Å; E363-R385 IonicContact OE2-NH2 2.93Å
364	P	93.4	Very high	79	Confident	16 Å²	16	64.7 Å²	64.7	10%	0.104	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-79.5	166.4	178.2	38.5	-38.7	0	0	0	110.4	W57 L362 S368	W57-P364 HydrophobicContact CB-CB 4.25Å; W57-P364 HydrophobicContact CD2-CB 3.74Å; W57-P364 HydrophobicContact CE3-CB 4.49Å; W57-P364 HydrophobicContact CG-CB 3.58Å; W57-P364 HydrophobicContact CG-CG 4.37Å; L362-P364 WeakPolarHBondContact O-CD 3.29Å; P364-S368 WeakPolarHBondContact CB-OG 3.3Å
365	P	92.9	Very high	76.6	Confident	11 Å²	11	69.5 Å²	69.5	7%	0.071	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-53.6	141.6	-179.1	-28.2	36.4	0	0	0	112.7	Y62 V316 D332 G367 S368	Y62-P365 HydrophobicContact CE2-CG 3.87Å; V316-P365 HydrophobicContact CB-CG 4.29Å; V316-P365 HydrophobicContact CG1-CG 4.05Å; D332-P365 HydrophobicContact CB-CB 4.35Å; D332-P365 HydrophobicContact CB-CG 3.81Å; D332-P365 VanDerWaalsContact O-CA 3.31Å; D332-P365 WeakPolarHBondContact O-CA 3.42Å; D332-P365 VanDerWaalsContact O-CB 3.3Å; D332-P365 WeakPolarHBondContact O-CB 3.45Å; P365-G367 PolarHBondContact O-N 2.82Å; P365-S368 VanDerWaalsContact O-CB 3.3Å; P365-S368 WeakPolarHBondContact O-CB 3.24Å; P365-S368 PolarHBondContact O-N 3.04Å; P365-S368 PolarHBondContact O-OG 3.13Å
366	P	86.5	Confident	74.5	Confident	40 Å²	40	77.1 Å²	77.1	26%	0.26	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.8	134	174.1	-31.3	38.3	0	0	0	112.7	D332 W334 S368	D332-P366 VanDerWaalsContact O-CD 3.28Å; D332-P366 WeakPolarHBondContact O-CD 3.37Å; W334-P366 HydrophobicContact CD2-CG 4.17Å; W334-P366 HydrophobicContact CG-CG 4.28Å; W334-P366 HydrophobicContact CZ2-CG 4.06Å; P366-S368 VanDerWaalsContact C-N 3.29Å; P366-S368 PolarHBondContact O-N 3.31Å
367	G	75.8	Confident	72.7	Confident	81 Å²	81	72 Å²	72	84%	0.835	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	-13.9	-177.3	0	0	0	0	0	116.3	P365 S369	P365-G367 PolarHBondContact O-N 2.82Å; G367-S369 VanDerWaalsContact C-N 3.31Å; G367-S369 PolarHBondContact O-N 2.93Å
368	S	69.8	Low	71.9	Confident	54 Å²	54	68.6 Å²	68.6	38%	0.378	46%	0.455	S	S	.	.	S	Bend	trans	-78.6	-8.6	-179.4	69.5	0	0	0	0	115.2	P364 P365 P366	P364-S368 WeakPolarHBondContact CB-OG 3.3Å; P365-S368 VanDerWaalsContact O-CB 3.3Å; P365-S368 WeakPolarHBondContact O-CB 3.24Å; P365-S368 PolarHBondContact O-N 3.04Å; P365-S368 PolarHBondContact O-OG 3.13Å; P366-S368 VanDerWaalsContact C-N 3.29Å; P366-S368 PolarHBondContact O-N 3.31Å
369	S	59.3	Low	71.6	Confident	37 Å²	37	67.8 Å²	67.8	26%	0.259	45%	0.451	S	S	.	.	S	Bend	trans	-125.8	146.9	176.5	65.6	0	0	0	0	111.2	G367 L371 R385	G367-S369 VanDerWaalsContact C-N 3.31Å; G367-S369 PolarHBondContact O-N 2.93Å; S369-L371 PolarHBondContact O-N 2.87Å; S369-R385 PolarHBondContact OG-NH2 2.78Å
370	P	52.5	Low	71.4	Confident	78 Å²	78	69.8 Å²	69.8	51%	0.506	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-55.3	135.9	175.3	-22.7	32.8	0	0	0	111.8
371	L	51.3	Low	71	Confident	159 Å²	159	70.3 Å²	70.3	83%	0.832	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-56.9	138.3	175.4	-72	164.4	0	0	0	110.9	S369	S369-L371 PolarHBondContact O-N 2.87Å
372	P	47	Very low	70.5	Confident	94 Å²	94	70.8 Å²	70.8	61%	0.61	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-56.4	155.2	163.9	-22.4	33.9	0	0	0	111.3
373	S	41.7	Very low	69.9	Low	89 Å²	89	70.8 Å²	70.8	62%	0.622	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-61.8	150	-179.8	43.1	0	0	0	0	112.5	S375	S373-S375 PolarHBondContact O-N 2.89Å
374	P	43.9	Very low	69.6	Low	124 Å²	124	69.7 Å²	69.7	81%	0.805	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	17	-168.1	-18.2	33.1	0	0	0	116.5	Q376	P374-Q376 VanDerWaalsContact C-N 3.29Å; P374-Q376 PolarHBondContact O-N 3.1Å
375	S	46.1	Very low	69.3	Low	103 Å²	103	73.6 Å²	73.6	72%	0.72	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-1.2	-171	51.7	0	0	0	0	114.8	S373	S373-S375 PolarHBondContact O-N 2.89Å
376	Q	51	Low	69	Low	159 Å²	159	73.7 Å²	73.7	74%	0.743	49%	0.488	S	S	*	.	S	Bend	trans	-125.2	136.3	169.7	-73.1	176.6	-24.5	0	0	108	P374 V378	P374-Q376 VanDerWaalsContact C-N 3.29Å; P374-Q376 PolarHBondContact O-N 3.1Å; Q376-V378 PolarHBondContact O-N 2.96Å
377	G	57.8	Low	69.1	Low	58 Å²	58	74 Å²	74	60%	0.598	49%	0.489	S	S	*	.			trans	-58	107.6	178.9	0	0	0	0	0	110.4	H399	G377-H399 VanDerWaalsContact O-CB 3.27Å; G377-H399 WeakPolarHBondContact O-CB 3.16Å
378	V	75.6	Confident	69.6	Low	103 Å²	103	70.4 Å²	70.4	62%	0.624	45%	0.452	S	S	*	.			trans	-69.5	132.8	-174.5	-174	0	0	0	0	108.9	Q376	Q376-V378 PolarHBondContact O-N 2.96Å
379	C	86.3	Confident	70.5	Confident	5 Å²	5	69.4 Å²	69.4	3%	0.034	44%	0.442	C	S	.	.			trans	-58.8	131.3	174.1	-179.8	0	0	0	0	109.8	T381 C384 H398	C379-T381 PolarHBondContact O-N 3.3Å; C379-C384 HydrophobicContact CB-CB 4.3Å; C379-H398 PolarHBondContact SG-CD2 2.93Å; C379-H398 PolarHBondContact SG-NE2 3.35Å
380	P	87.6	Confident	71.7	Confident	96 Å²	96	68.8 Å²	68.8	62%	0.623	44%	0.435	S	S	*	.	S	Bend	trans	-69.8	-11	-178.5	28.7	-36.9	0	0	0	113.8	A382 A401	P380-A382 PolarHBondContact O-N 2.88Å; P380-A401 HydrophobicContact CG-CB 4.1Å
381	T	86.8	Confident	73	Confident	22 Å²	22	70.2 Å²	70.2	14%	0.135	43%	0.433	C	S	.	.	S	Bend	trans	-70.5	124.9	176.9	-59.1	0	0	0	0	110.9	C379 G383 C384 Y406 S407	C379-T381 PolarHBondContact O-N 3.3Å; T381-G383 PolarHBondContact O-N 3.47Å; T381-C384 HydrophobicContact CG2-CB 4.22Å; T381-C384 VanDerWaalsContact O-CB 3.29Å; T381-C384 WeakPolarHBondContact O-CB 3.48Å; T381-C384 PolarHBondContact O-N 3.1Å; T381-Y406 WeakPolarHBondContact CG2-O 3.46Å; T381-S407 WeakPolarHBondContact OG1-CB 3.38Å
382	A	84.9	Confident	74.3	Confident	89 Å²	89	63.8 Å²	63.8	74%	0.736	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	135.2	-178.6	0	0	0	0	0	112.4	P380 C384	P380-A382 PolarHBondContact O-N 2.88Å; A382-C384 PolarHBondContact O-N 3Å
383	G	83.8	Confident	75.8	Confident	36 Å²	36	60.8 Å²	60.8	37%	0.371	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	-15.1	-177.2	0	0	0	0	0	115.9	T381	T381-G383 PolarHBondContact O-N 3.47Å
384	C	88.2	Confident	77.5	Confident	10 Å²	10	61.6 Å²	61.6	7%	0.068	38%	0.381	C	S	.	.			trans	-79.7	131.4	-177.6	-164.8	0	0	0	0	112.7	W334 C379 T381 A382 H398 Y406	W334-C384 HydrophobicContact CH2-CB 4.41Å; C379-C384 HydrophobicContact CB-CB 4.3Å; T381-C384 HydrophobicContact CG2-CB 4.22Å; T381-C384 VanDerWaalsContact O-CB 3.29Å; T381-C384 WeakPolarHBondContact O-CB 3.48Å; T381-C384 PolarHBondContact O-N 3.1Å; A382-C384 PolarHBondContact O-N 3Å; C384-H398 PolarHBondContact SG-CE1 2.77Å; C384-H398 PolarHBondContact SG-NE2 3.43Å; C384-Y406 HydrophobicContact CB-CD2 4.33Å
385	R	86.1	Confident	79.3	Confident	98 Å²	98	60.2 Å²	60.2	37%	0.37	36%	0.361	S	S	.	.			trans	-94.7	9.7	179	-61	-178.3	-176.6	159.1	8.6	114.1	E363 S369 V387	E363-R385 IonicContact OE1-NH1 2.73Å; E363-R385 IonicContact OE2-CZ 2.7Å; E363-R385 VanDerWaalsContact OE2-CZ 3.23Å; E363-R385 IonicContact OE2-NE 3.18Å; E363-R385 IonicContact OE2-NH1 3.98Å; E363-R385 PolarHBondContact OE2-NH1 3.45Å; E363-R385 IonicContact OE2-NH2 2.93Å; S369-R385 PolarHBondContact OG-NH2 2.78Å; R385-V387 HydrophobicContact CB-CG2 4.18Å
386	G	87.4	Confident	81	Confident	12 Å²	12	60.7 Å²	60.7	12%	0.124	36%	0.36	C	S	.	.	S	Bend	trans	76.4	20	-175.7	0	0	0	0	0	114.7	G397 H398	G386-G397 CarbonylContact O-C 3.1Å; G386-G397 WeakPolarHBondContact O-CA 3.37Å; G386-H398 CarbonylContact C-O 3.56Å; G386-H398 WeakPolarHBondContact CA-O 3.39Å; G386-H398 PolarHBondContact O-N 2.74Å
387	V	87.9	Confident	82.6	Confident	47 Å²	47	54.6 Å²	54.6	29%	0.285	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	-96.6	137	-176.7	-178.8	0	0	0	0	111.1	N310 M312 L313 R385	N310-V387 PolarHBondContact ND2-O 3.47Å; M312-V387 HydrophobicContact CE-CG1 3.27Å; L313-V387 HydrophobicContact CD2-CG1 4.08Å; R385-V387 HydrophobicContact CB-CG2 4.18Å
388	G	86.4	Confident	84.2	Confident	5 Å²	5	52.7 Å²	52.7	5%	0.052	32%	0.315	C	S	.	.	S	Bend	trans	69.9	-171.1	-172.8	0	0	0	0	0	113.5	Y395 T396 G397 H398	G388-Y395 CarbonylContact C-O 3.51Å; G388-T396 PolarHBondContact N-O 3.24Å; G388-G397 CarbonylContact O-C 3.59Å; G388-G397 WeakPolarHBondContact O-CA 3.32Å; G388-H398 PolarHBondContact O-ND1 3.33Å
389	H	88.4	Confident	84.9	Confident	34 Å²	34	54.4 Å²	54.4	16%	0.157	32%	0.316	C	S	.	.			trans	-159.3	150.7	178.9	-165.6	-67.4	0	0	0	111.4	K391 G392 Y395 G403	H389-K391 PolarHBondContact ND1-N 3.41Å; H389-K391 VanDerWaalsContact ND1-N 3.17Å; H389-K391 PolarHBondContact O-N 3.05Å; H389-G392 PolarHBondContact O-N 3.4Å; H389-Y395 HydrophobicContact CB-CD2 4.41Å; H389-Y395 HydrophobicContact CB-CG 4.36Å; H389-Y395 AromaticContact CD2-CG 3.98Å; H389-G403 CarbonylContact C-O 3.52Å; H389-G403 WeakPolarHBondContact CA-O 3.43Å; H389-G403 WeakPolarHBondContact NE2-CA 3.4Å
390	I	85	Confident	85.1	Confident	24 Å²	24	55.9 Å²	55.9	12%	0.123	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	2.4	175.2	-164.1	61.9	0	0	0	114.9	F402 G403 N410 V415	I390-F402 WeakPolarHBondContact CG2-O 3.27Å; I390-G403 PolarHBondContact N-O 2.9Å; I390-N410 HydrophobicContact CD1-CB 3.9Å; I390-N410 HydrophobicContact CG1-CB 3.92Å; I390-V415 HydrophobicContact CD1-CG2 3.49Å; I390-V415 VanDerWaalsContact CD1-CG2 3.49Å; I390-V415 HydrophobicContact CG1-CG2 4.22Å
391	K	80.4	Confident	85.1	Confident	107 Å²	107	52.5 Å²	52.5	47%	0.465	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	21.6	-177.9	-69.3	-172.8	175.9	-175.4	0	112.5	H389 Y395	H389-K391 PolarHBondContact ND1-N 3.41Å; H389-K391 VanDerWaalsContact ND1-N 3.17Å; H389-K391 PolarHBondContact O-N 3.05Å; K391-Y395 HydrophobicContact CB-CD2 3.94Å; K391-Y395 HydrophobicContact CB-CE2 3.91Å; K391-Y395 HydrophobicContact CD-CE2 4.12Å
392	G	77.7	Confident	85.2	Confident	25 Å²	25	55.1 Å²	55.1	26%	0.258	32%	0.316	S	S	.	.			trans	78.4	-172.9	-178.7	0	0	0	0	0	114.1	H389 K394 Y395	H389-G392 PolarHBondContact O-N 3.4Å; G392-K394 PolarHBondContact O-N 3.46Å; G392-K394 VanDerWaalsContact O-N 3.1Å; G392-Y395 PolarHBondContact O-N 2.95Å
393	A	78.1	Confident	85.4	Confident	31 Å²	31	50.9 Å²	50.9	26%	0.256	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-19.4	-167.5	0	0	0	0	0	115.2	D131 Y395	D131-A393 HydrophobicContact CB-CB 4.01Å; A393-Y395 PolarHBondContact O-N 3.45Å
394	K	77.8	Confident	85.7	Confident	106 Å²	106	49.2 Å²	49.2	46%	0.461	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.8	-26.9	174.5	-178.1	172.8	-177.2	174.2	0	114.7	E128 G392	E128-K394 HydrophobicContact CB-CB 4.21Å; G392-K394 PolarHBondContact O-N 3.46Å; G392-K394 VanDerWaalsContact O-N 3.1Å
395	Y	81.4	Confident	85.8	Confident	94 Å²	94	48.7 Å²	48.7	37%	0.369	26%	0.26	S	S	.	.			trans	-122.3	108.9	177.4	-54.8	-84.1	0	0	0	109.8	G388 H389 K391 G392 A393 G397	G388-Y395 CarbonylContact C-O 3.51Å; H389-Y395 HydrophobicContact CB-CD2 4.41Å; H389-Y395 HydrophobicContact CB-CG 4.36Å; H389-Y395 AromaticContact CD2-CG 3.98Å; K391-Y395 HydrophobicContact CB-CD2 3.94Å; K391-Y395 HydrophobicContact CB-CE2 3.91Å; K391-Y395 HydrophobicContact CD-CE2 4.12Å; G392-Y395 PolarHBondContact O-N 2.95Å; A393-Y395 PolarHBondContact O-N 3.45Å; Y395-G397 PolarHBondContact O-N 2.9Å
396	T	81.5	Confident	86	Confident	114 Å²	114	44.7 Å²	44.7	70%	0.699	25%	0.245	S	C	*	.	S	Bend	trans	-67.6	-15.8	-179.4	53.7	0	0	0	0	113.8	G388	G388-T396 PolarHBondContact N-O 3.24Å
397	G	86.6	Confident	86.1	Confident	31 Å²	31	44.2 Å²	44.2	32%	0.32	24%	0.24	S	C	.	.	B	Isolated β-bridge	trans	-163.6	175.2	177.4	0	0	0	0	0	114.8	G386 G388 Y395	G386-G397 CarbonylContact O-C 3.1Å; G386-G397 WeakPolarHBondContact O-CA 3.37Å; G388-G397 CarbonylContact O-C 3.59Å; G388-G397 WeakPolarHBondContact O-CA 3.32Å; Y395-G397 PolarHBondContact O-N 2.9Å
398	H	89.6	Confident	86.1	Confident	17 Å²	17	48.1 Å²	48.1	8%	0.079	26%	0.259	C	S	.	.			trans	-149.2	157.7	-179	63.8	-83.6	0	0	0	110.8	C379 C384 G386 G388 S400 C404	C379-H398 PolarHBondContact SG-CD2 2.93Å; C379-H398 PolarHBondContact SG-NE2 3.35Å; C384-H398 PolarHBondContact SG-CE1 2.77Å; C384-H398 PolarHBondContact SG-NE2 3.43Å; G386-H398 CarbonylContact C-O 3.56Å; G386-H398 WeakPolarHBondContact CA-O 3.39Å; G386-H398 PolarHBondContact O-N 2.74Å; G388-H398 PolarHBondContact O-ND1 3.33Å; H398-S400 PolarHBondContact CD2-O 3.26Å; H398-C404 VanDerWaalsContact CD2-CA 3.48Å; H398-C404 WeakPolarHBondContact CD2-CA 3.26Å; H398-C404 WeakPolarHBondContact NE2-CA 3.38Å; H398-C404 WeakPolarHBondContact NE2-CB 3.32Å; H398-C404 PolarHBondContact NE2-SG 3.22Å
399	H	90.6	Very high	86.1	Confident	140 Å²	140	50.9 Å²	50.9	65%	0.648	27%	0.272	S	S	*	.	S	Bend	trans	-124.8	5.7	177.6	58.7	-93.2	0	0	0	112.9	G377	G377-H399 VanDerWaalsContact O-CB 3.27Å; G377-H399 WeakPolarHBondContact O-CB 3.16Å
400	S	90.6	Very high	86.1	Confident	35 Å²	35	49.5 Å²	49.5	25%	0.245	27%	0.266	C	S	.	.	S	Bend	trans	-135.3	154.2	-177.6	73.5	0	0	0	0	111.6	H398 F402 G403 C404	H398-S400 PolarHBondContact CD2-O 3.26Å; S400-F402 PolarHBondContact O-N 3.37Å; S400-G403 PolarHBondContact O-N 3.16Å; S400-G403 VanDerWaalsContact O-N 3.16Å; S400-C404 PolarHBondContact O-N 3.1Å
401	A	88.6	Confident	85.9	Confident	25 Å²	25	49.7 Å²	49.7	21%	0.207	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-32.1	174.4	0	0	0	0	0	112.3	P380 G403 C404 S407 I409 N410	P380-A401 HydrophobicContact CG-CB 4.1Å; A401-G403 PolarHBondContact O-N 3.43Å; A401-C404 WeakPolarHBondContact O-CB 3.38Å; A401-C404 PolarHBondContact O-N 3.42Å; A401-S407 WeakPolarHBondContact O-CB 3.4Å; A401-S407 PolarHBondContact O-OG 2.86Å; A401-I409 HydrophobicContact CB-CD1 4.46Å; A401-N410 PolarHBondContact O-ND2 3.25Å
402	F	88.9	Confident	85.6	Confident	77 Å²	77	56.2 Å²	56.2	34%	0.338	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-39.7	178.9	-174	-91.8	0	0	0	112.9	I390 S400 N410	I390-F402 WeakPolarHBondContact CG2-O 3.27Å; S400-F402 PolarHBondContact O-N 3.37Å; F402-N410 PolarHBondContact O-ND2 3.07Å
403	G	87.9	Confident	85.3	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.01	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-17.5	176	0	0	0	0	0	114.2	H389 I390 S400 A401	H389-G403 CarbonylContact C-O 3.52Å; H389-G403 WeakPolarHBondContact CA-O 3.43Å; H389-G403 WeakPolarHBondContact NE2-CA 3.4Å; I390-G403 PolarHBondContact N-O 2.9Å; S400-G403 PolarHBondContact O-N 3.16Å; S400-G403 VanDerWaalsContact O-N 3.16Å; A401-G403 PolarHBondContact O-N 3.43Å
404	C	90.9	Very high	84.5	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	31%	0.309	C	S	.	.			trans	-69.1	128.7	-173.3	-169.6	0	0	0	0	112.8	H398 S400 A401 Y406 S407 N410	H398-C404 VanDerWaalsContact CD2-CA 3.48Å; H398-C404 WeakPolarHBondContact CD2-CA 3.26Å; H398-C404 WeakPolarHBondContact NE2-CA 3.38Å; H398-C404 WeakPolarHBondContact NE2-CB 3.32Å; H398-C404 PolarHBondContact NE2-SG 3.22Å; S400-C404 PolarHBondContact O-N 3.1Å; A401-C404 WeakPolarHBondContact O-CB 3.38Å; A401-C404 PolarHBondContact O-N 3.42Å; C404-Y406 PolarHBondContact O-N 3.41Å; C404-Y406 PolarHBondContact SG-N 3.39Å; C404-Y406 VanDerWaalsContact SG-N 3.4Å; C404-S407 PolarHBondContact O-OG 3.06Å; C404-N410 PolarHBondContact O-ND2 3.42Å
405	P	89.5	Confident	83.7	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-28.3	171.2	-23.8	33.8	0	0	0	114	R309	R309-P405 HydrophobicContact CB-CB 4.21Å; R309-P405 VanDerWaalsContact CZ-O 3.27Å; R309-P405 PolarHBondContact NE-O 3.4Å; R309-P405 PolarHBondContact NH2-O 2.6Å
406	Y	90.7	Very high	82.8	Confident	13 Å²	13	61 Å²	61	5%	0.051	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	4.3	-168.3	-41.9	-80.3	0	0	0	114.5	D307 R309 N310 R315 W334 L338 T381 C384 C404	D307-Y406 VanDerWaalsContact CG-OH 3.32Å; D307-Y406 WeakPolarHBondContact OD2-CE1 3.21Å; D307-Y406 VanDerWaalsContact OD2-CZ 3.25Å; D307-Y406 PolarHBondContact OD2-OH 3.35Å; R309-Y406 HydrophobicContact CB-CE1 4.1Å; N310-Y406 WeakPolarHBondContact CB-OH 3.46Å; R315-Y406 PolarHBondContact NH2-OH 2.87Å; W334-Y406 HydrophobicContact CE3-CD1 4.47Å; W334-Y406 HydrophobicContact CH2-CD2 4.19Å; W334-Y406 HydrophobicContact CH2-CE2 4.41Å; W334-Y406 HydrophobicContact CH2-CG 4.3Å; W334-Y406 HydrophobicContact CZ3-CD1 4.05Å; W334-Y406 HydrophobicContact CZ3-CD2 4.1Å; W334-Y406 AromaticContact CZ3-CG 3.77Å; W334-Y406 HydrophobicContact CZ3-CG 3.77Å; L338-Y406 HydrophobicContact CD1-CD1 4.06Å; L338-Y406 HydrophobicContact CD2-CD1 4.21Å; T381-Y406 WeakPolarHBondContact CG2-O 3.46Å; C384-Y406 HydrophobicContact CB-CD2 4.33Å; C404-Y406 PolarHBondContact O-N 3.41Å; C404-Y406 PolarHBondContact SG-N 3.39Å; C404-Y406 VanDerWaalsContact SG-N 3.4Å
407	S	90.1	Very high	82.2	Confident	2 Å²	2	57.9 Å²	57.9	1%	0.014	29%	0.29	C	S	.	.	S	Bend	trans	-74.1	148.1	177.9	63.6	0	0	0	0	111	T381 A401 C404 I409 N410 M411	T381-S407 WeakPolarHBondContact OG1-CB 3.38Å; A401-S407 WeakPolarHBondContact O-CB 3.4Å; A401-S407 PolarHBondContact O-OG 2.86Å; C404-S407 PolarHBondContact O-OG 3.06Å; S407-I409 PolarHBondContact O-N 3.02Å; S407-I409 VanDerWaalsContact O-N 3.09Å; S407-N410 CarbonylContact O-C 3.54Å; S407-N410 WeakPolarHBondContact O-CA 3.38Å; S407-N410 PolarHBondContact O-N 3.42Å; S407-N410 PolarHBondContact OG-ND2 3.12Å; S407-M411 WeakPolarHBondContact O-CG 3.5Å; S407-M411 PolarHBondContact O-N 3.49Å
408	D	87.6	Confident	81.7	Confident	130 Å²	130	60.3 Å²	60.3	70%	0.695	30%	0.3	S	S	*	.	H	α-helix	trans	-55.9	-33.1	-179.2	-50.6	-61.5	0	0	0	112.8	N410 M411	D408-N410 PolarHBondContact O-N 2.97Å; D408-M411 PolarHBondContact O-N 3.28Å
409	I	86.7	Confident	81.4	Confident	63 Å²	63	61.9 Å²	61.9	32%	0.323	31%	0.309	S	S	.	.	H	α-helix	trans	-58.8	-30.3	174.9	-56.7	173.1	0	0	0	112.1	A401 S407 K413	A401-I409 HydrophobicContact CB-CD1 4.46Å; S407-I409 PolarHBondContact O-N 3.02Å; S407-I409 VanDerWaalsContact O-N 3.09Å; I409-K413 WeakPolarHBondContact O-CE 3.3Å; I409-K413 PolarHBondContact O-NZ 3.47Å
410	N	87.1	Confident	81.1	Confident	4 Å²	4	56.2 Å²	56.2	2%	0.021	28%	0.283	C	S	.	.	H	α-helix	trans	-110.5	-16.5	-176	-66.5	-24.5	0	0	0	112.9	R309 I390 A401 F402 C404 S407 D408 R412 K413	R309-N410 PolarHBondContact NH2-O 3.07Å; I390-N410 HydrophobicContact CD1-CB 3.9Å; I390-N410 HydrophobicContact CG1-CB 3.92Å; A401-N410 PolarHBondContact O-ND2 3.25Å; F402-N410 PolarHBondContact O-ND2 3.07Å; C404-N410 PolarHBondContact O-ND2 3.42Å; S407-N410 CarbonylContact O-C 3.54Å; S407-N410 WeakPolarHBondContact O-CA 3.38Å; S407-N410 PolarHBondContact O-N 3.42Å; S407-N410 PolarHBondContact OG-ND2 3.12Å; D408-N410 PolarHBondContact O-N 2.97Å; N410-R412 VanDerWaalsContact C-N 3.28Å; N410-R412 PolarHBondContact O-N 3.4Å; N410-K413 PolarHBondContact O-N 3.06Å
411	M	82	Confident	80.7	Confident	29 Å²	29	58.4 Å²	58.4	14%	0.143	29%	0.291	C	S	.	.	H	α-helix	trans	-52.5	-44.6	177.9	-79.4	-62.5	-68.8	0	0	112.5	R309 Q337 L338 S407 D408 K413	R309-M411 PolarHBondContact NH1-O 3.32Å; Q337-M411 HydrophobicContact CB-CE 3.52Å; Q337-M411 WeakPolarHBondContact O-CE 3.39Å; L338-M411 HydrophobicContact CD2-CE 3.64Å; L338-M411 HydrophobicContact CD2-SD 3.56Å; L338-M411 VanDerWaalsContact CD2-SD 3.56Å; L338-M411 HydrophobicContact CG-CE 3.85Å; L338-M411 HydrophobicContact CG-SD 4.15Å; S407-M411 WeakPolarHBondContact O-CG 3.5Å; S407-M411 PolarHBondContact O-N 3.49Å; D408-M411 PolarHBondContact O-N 3.28Å; M411-K413 VanDerWaalsContact C-N 3.34Å
412	R	73.9	Confident	79.5	Confident	244 Å²	244	59 Å²	59	92%	0.921	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-1.9	177.7	-57.4	-174.3	-174.1	-170.9	1.7	114.6	N410	N410-R412 VanDerWaalsContact C-N 3.28Å; N410-R412 PolarHBondContact O-N 3.4Å
413	K	71.1	Confident	77.5	Confident	98 Å²	98	58.8 Å²	58.8	43%	0.426	32%	0.319	S	S	.	.			trans	-96.4	109	173.6	-63.9	178.9	-171.7	161.4	0	107.6	I409 N410 M411	I409-K413 WeakPolarHBondContact O-CE 3.3Å; I409-K413 PolarHBondContact O-NZ 3.47Å; N410-K413 PolarHBondContact O-N 3.06Å; M411-K413 VanDerWaalsContact C-N 3.34Å
414	E	61.2	Low	75.2	Confident	113 Å²	113	68.2 Å²	68.2	53%	0.528	36%	0.363	S	S	.	.			trans	-62.4	141.8	159.2	-66.8	-174.1	169.2	0	0	108.8	V416 L429	E414-V416 HydrophobicContact CB-CG2 4.15Å; E414-V416 PolarHBondContact O-N 3.1Å; E414-L429 WeakPolarHBondContact OE2-CB 3.28Å; E414-L429 WeakPolarHBondContact OE2-CD1 3.43Å
415	V	61.1	Low	72.7	Confident	76 Å²	76	78.7 Å²	78.7	46%	0.461	40%	0.403	S	S	.	.			trans	-79.8	72.3	174.3	-173.4	0	0	0	0	107.3	I390 L417	I390-V415 HydrophobicContact CD1-CG2 3.49Å; I390-V415 VanDerWaalsContact CD1-CG2 3.49Å; I390-V415 HydrophobicContact CG1-CG2 4.22Å; V415-L417 VanDerWaalsContact C-N 3.26Å; V415-L417 HydrophobicContact CG1-CD2 4.19Å; V415-L417 HydrophobicContact CG1-CG 4.33Å; V415-L417 PolarHBondContact O-N 3.34Å
416	V	63	Low	70.1	Confident	68 Å²	68	83.2 Å²	83.2	41%	0.412	43%	0.434	S	S	.	.			trans	-69.3	91.5	170.3	-176.1	0	0	0	0	107.1	E414 V427	E414-V416 HydrophobicContact CB-CG2 4.15Å; E414-V416 PolarHBondContact O-N 3.1Å; V416-V427 VanDerWaalsContact CG1-O 3.31Å; V416-V427 WeakPolarHBondContact CG1-O 3.27Å
417	L	69.3	Low	67.5	Low	49 Å²	49	85.7 Å²	85.7	26%	0.257	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-64.1	133.9	160.9	-62.6	175.4	0	0	0	107	C129 Y130 V415	C129-L417 HydrophobicContact CB-CD2 3.93Å; C129-L417 WeakPolarHBondContact O-CD1 3.45Å; Y130-L417 HydrophobicContact CD1-CB 4.44Å; Y130-L417 HydrophobicContact CD1-CD1 3.99Å; Y130-L417 HydrophobicContact CE1-CB 3.98Å; Y130-L417 HydrophobicContact CE1-CD1 4.32Å; V415-L417 VanDerWaalsContact C-N 3.26Å; V415-L417 HydrophobicContact CG1-CD2 4.19Å; V415-L417 HydrophobicContact CG1-CG 4.33Å; V415-L417 PolarHBondContact O-N 3.34Å
418	P	76.2	Confident	64.5	Low	82 Å²	82	90.7 Å²	90.7	53%	0.532	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-54.9	147.5	166.7	-22.1	33.4	0	0	0	109.7	Y130 R420	Y130-P418 VanDerWaalsContact CE1-O 3.3Å; Y130-P418 WeakPolarHBondContact CE1-O 3.42Å; Y130-P418 PolarHBondContact OH-O 3.07Å; Y130-P418 VanDerWaalsContact OH-O 3.11Å; P418-R420 PolarHBondContact O-N 3.05Å
419	D	81.8	Confident	61.9	Low	50 Å²	50	88.3 Å²	88.3	27%	0.267	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-53.8	132.9	165.8	170	10.6	0	0	0	109.3	H102 L421 G422	H102-D419 IonicContact CE1-OD1 2.87Å; H102-D419 IonicContact NE2-OD1 3.25Å; H102-D419 PolarHBondContact NE2-OD1 3.25Å; D419-L421 PolarHBondContact OD1-N 3.37Å; D419-G422 PolarHBondContact OD1-N 3.39Å; D419-G422 VanDerWaalsContact OD2-CA 3.24Å; D419-G422 WeakPolarHBondContact OD2-CA 3.3Å; D419-G422 PolarHBondContact OD2-N 3.21Å
420	R	85.1	Confident	58.9	Low	22 Å²	22	90.4 Å²	90.4	8%	0.083	48%	0.483	C	S	.	.	S	Bend	trans	-78.8	-19.8	-178.3	70.7	179	179.5	82.5	8.7	113.4	D99 C107 Y126 Y130 P418	D99-R420 IonicContact OD2-CZ 3.91Å; D99-R420 IonicContact OD2-NE 3.99Å; D99-R420 PolarHBondContact OD2-NE 3.49Å; D99-R420 IonicContact OD2-NH2 2.78Å; D99-R420 PolarHBondContact OD2-NH2 3.24Å; C107-R420 PolarHBondContact SG-NH2 2.9Å; Y126-R420 HydrophobicContact CD1-CB 3.98Å; Y126-R420 HydrophobicContact CD1-CG 4.25Å; Y126-R420 HydrophobicContact CE1-CB 4.28Å; Y126-R420 HydrophobicContact CE1-CG 4.28Å; Y126-R420 VanDerWaalsContact CZ-NH1 3.33Å; Y130-R420 HydrophobicContact CD1-CB 4.27Å; Y130-R420 HydrophobicContact CD2-CB 4.12Å; Y130-R420 HydrophobicContact CE1-CB 3.87Å; Y130-R420 HydrophobicContact CE2-CB 3.69Å; Y130-R420 HydrophobicContact CG-CB 4.4Å; P418-R420 PolarHBondContact O-N 3.05Å
421	L	81.6	Confident	56	Low	81 Å²	81	95.2 Å²	95.2	42%	0.424	52%	0.515	S	S	.	.	S	Bend	trans	-97.3	-33.9	177.8	-63.9	-163.4	0	0	0	112.4	M105 Y126 D419	M105-L421 HydrophobicContact CE-CD1 3.34Å; M105-L421 HydrophobicContact CE-CG 4.17Å; M105-L421 HydrophobicContact SD-CD1 3.51Å; M105-L421 VanDerWaalsContact SD-CD1 3.51Å; Y126-L421 HydrophobicContact CE1-CD2 4.32Å; D419-L421 PolarHBondContact OD1-N 3.37Å
422	G	64.8	Low	53.2	Low	37 Å²	37	99 Å²	99	38%	0.381	54%	0.54	S	S	.	.	S	Bend	trans	-79.8	146.8	-178.5	0	0	0	0	0	115.6	D419	D419-G422 PolarHBondContact OD1-N 3.39Å; D419-G422 VanDerWaalsContact OD2-CA 3.24Å; D419-G422 WeakPolarHBondContact OD2-CA 3.3Å; D419-G422 PolarHBondContact OD2-N 3.21Å
423	G	45.7	Very low	50.7	Low	73 Å²	73	92.5 Å²	92.5	75%	0.753	53%	0.531	S	S	*	.	S	Bend	trans	-86.3	117.2	164.2	0	0	0	0	0	111.2	R425	G423-R425 PolarHBondContact O-N 2.82Å
424	E	38.9	Very low	48.5	Very low	199 Å²	199	95.6 Å²	95.6	93%	0.93	55%	0.551	S	S	*	*	S	Bend	trans	37.2	62.5	168.1	-154.8	168.1	-126.6	0	0	116.2
425	R	39.7	Very low	46.7	Very low	220 Å²	220	95.1 Å²	95.1	83%	0.83	56%	0.561	S	S	*	*			trans	-128.7	111.7	157.8	-71.2	-172.2	172.5	179.9	-2.6	109.7	G423 V427	G423-R425 PolarHBondContact O-N 2.82Å; R425-V427 PolarHBondContact O-N 3.46Å
426	S	35.4	Very low	45	Very low	95 Å²	95	99.6 Å²	99.6	66%	0.664	58%	0.576	S	S	*	*			trans	-72.3	119.7	173.2	51.9	0	0	0	0	109.7	T428	S426-T428 PolarHBondContact O-N 2.85Å; S426-T428 VanDerWaalsContact O-N 3.16Å
427	V	35.3	Very low	43.2	Very low	65 Å²	65	104.3 Å²	104.3	39%	0.394	60%	0.598	S	S	.	*			trans	-65.1	113	167.2	179.9	0	0	0	0	107.8	V416 R425 L429	V416-V427 VanDerWaalsContact CG1-O 3.31Å; V416-V427 WeakPolarHBondContact CG1-O 3.27Å; R425-V427 PolarHBondContact O-N 3.46Å; V427-L429 HydrophobicContact CG1-CD2 4.46Å; V427-L429 HydrophobicContact CG1-CG 4.41Å
428	T	27.3	Very low	41.1	Very low	107 Å²	107	110.2 Å²	110.2	66%	0.656	62%	0.624	S	S	*	*			trans	-95.8	97.4	172.8	-55.9	0	0	0	0	108	S426 V430	S426-T428 PolarHBondContact O-N 2.85Å; S426-T428 VanDerWaalsContact O-N 3.16Å; T428-V430 PolarHBondContact O-N 3.32Å
429	L	31.8	Very low	38.5	Very low	80 Å²	80	112 Å²	112	42%	0.419	64%	0.639	S	S	.	*	P	Polyproline II helix	trans	-69.3	124.8	161.7	-65.8	176.2	0	0	0	107.7	K205 E414 V427	K205-L429 HydrophobicContact CB-CD2 4.46Å; K205-L429 HydrophobicContact CD-CD2 4.21Å; E414-L429 WeakPolarHBondContact OE2-CB 3.28Å; E414-L429 WeakPolarHBondContact OE2-CD1 3.43Å; V427-L429 HydrophobicContact CG1-CD2 4.46Å; V427-L429 HydrophobicContact CG1-CG 4.41Å
430	V	25.7	Very low	35.8	Very low	107 Å²	107	121.8 Å²	121.8	65%	0.648	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-83.7	130.1	-178.4	179	0	0	0	0	108.2	T428 V432	T428-V430 PolarHBondContact O-N 3.32Å; V430-V432 PolarHBondContact O-N 2.86Å; V430-V432 VanDerWaalsContact O-N 3.13Å
431	P	24.3	Very low	32.8	Very low	105 Å²	105	123.9 Å²	123.9	68%	0.682	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-64.9	117.3	179.2	25	-33.5	0	0	0	111	S433	P431-S433 PolarHBondContact O-N 3.41Å
432	V	23.1	Very low	29.9	Very low	109 Å²	109	126.3 Å²	126.3	66%	0.661	72%	0.718	S	S	*	*			trans	-61.4	109.6	173.6	178	0	0	0	0	109.4	V430 L434	V430-V432 PolarHBondContact O-N 2.86Å; V430-V432 VanDerWaalsContact O-N 3.13Å; V432-L434 PolarHBondContact O-N 3.09Å
433	S	22.1	Very low	27.8	Very low	107 Å²	107	133.3 Å²	133.3	75%	0.748	74%	0.741	S	S	*	*			trans	-79.6	107.5	168.9	-68	0	0	0	0	109	P431 S435	P431-S433 PolarHBondContact O-N 3.41Å; S433-S435 PolarHBondContact O-N 2.84Å
434	L	25.1	Very low	26.7	Very low	162 Å²	162	136 Å²	136	85%	0.848	74%	0.743	S	S	*	*			trans	-63.9	94.8	174.5	-77.2	164.5	0	0	0	110.9	V432	V432-L434 PolarHBondContact O-N 3.09Å
435	S	24.5	Very low	25.8	Very low	104 Å²	104	136.5 Å²	136.5	73%	0.727	74%	0.742	S	S	*	*			trans	-85.3	120.3	167.5	44.8	0	0	0	0	110.4	S433 L437	S433-S435 PolarHBondContact O-N 2.84Å; S435-L437 PolarHBondContact O-N 2.57Å; S435-L437 VanDerWaalsContact O-N 3.13Å
436	H	24.6	Very low	24.9	Very low	170 Å²	170	133.8 Å²	133.8	79%	0.787	74%	0.738	S	S	*	*			trans	-66.7	106.8	171.8	-81.3	25	0	0	0	110.4	H438	H436-H438 PolarHBondContact O-N 2.94Å
437	L	25.3	Very low	24.2	Very low	167 Å²	167	137.6 Å²	137.6	87%	0.874	75%	0.746	S	S	*	*			trans	-80.1	96	167.4	-85.6	162.2	0	0	0	110	S435 S439	S435-L437 PolarHBondContact O-N 2.57Å; S435-L437 VanDerWaalsContact O-N 3.13Å; L437-S439 PolarHBondContact O-N 2.79Å
438	H	24.9	Very low	23.5	Very low	173 Å²	173	139.1 Å²	139.1	80%	0.801	76%	0.759	S	S	*	*			trans	-72.1	120.8	164.1	-92.3	99.2	0	0	0	110.1	H436 R440	H436-H438 PolarHBondContact O-N 2.94Å; H438-R440 PolarHBondContact O-N 3.16Å
439	S	21.5	Very low	23.2	Very low	120 Å²	120	139.3 Å²	139.3	84%	0.839	76%	0.76	S	S	*	*			trans	-65.3	127.6	171.3	-59.3	0	0	0	0	112.1	L437	L437-S439 PolarHBondContact O-N 2.79Å
440	R	25.1	Very low	22.8	Very low	255 Å²	255	142.7 Å²	142.7	96%	0.962	78%	0.779	S	S	*	*			trans	-156.7	130.7	153.1	-105.1	170.3	-172.8	-159.4	-0.1	108	H438	H438-R440 PolarHBondContact O-N 3.16Å
441	G	21.7	Very low	22.7	Very low	66 Å²	66	143.8 Å²	143.8	68%	0.68	79%	0.786	S	S	*	*			trans	-116.9	-170.1	-169.8	0	0	0	0	0	114.6
442	V	20.8	Very low	22.9	Very low	132 Å²	132	144.1 Å²	144.1	80%	0.8	79%	0.788	S	S	*	*			trans	73.6	130.9	173.8	-167.2	0	0	0	0	111.2
443	Q	21.7	Very low	22.9	Very low	183 Å²	183	146.1 Å²	146.1	86%	0.855	79%	0.794	S	S	*	*			cis	-155.5	169.7	36.3	-148.4	152.1	38.9	0	0	113.9
444	V	21.6	Very low	23	Very low	130 Å²	130	148.5 Å²	148.5	79%	0.788	80%	0.798	S	S	*	*			trans	-83	142.5	-179.2	171.6	0	0	0	0	113.3
445	K	21	Very low	23.2	Very low	210 Å²	210	146 Å²	146	91%	0.913	79%	0.791	S	S	*	*			trans	-154.3	165.6	140	-130.3	-179.8	178.3	-174.6	0	113.1
446	Q	20.1	Very low	23.2	Very low	162 Å²	162	149.7 Å²	149.7	76%	0.757	80%	0.801	S	S	*	*			trans	-129.5	171.3	-152.5	-165.7	179.9	-17.7	0	0	110.9
447	E	20.5	Very low	23.1	Very low	176 Å²	176	145 Å²	145	82%	0.822	80%	0.8	S	S	*	*			trans	78.6	149	168.3	-57.3	179	149.9	0	0	117.7
448	S	20.9	Very low	23.1	Very low	96 Å²	96	147.2 Å²	147.2	67%	0.671	80%	0.802	S	S	*	*			cis	-168.9	167.3	-23.9	62	0	0	0	0	112.3
449	T	20.8	Very low	23.1	Very low	111 Å²	111	150.9 Å²	150.9	68%	0.681	81%	0.809	S	S	*	*			trans	72.3	127.8	148.6	31.2	0	0	0	0	124.6
450	D	22.7	Very low	23.2	Very low	152 Å²	152	155.3 Å²	155.3	81%	0.813	81%	0.813	S	S	*	*			trans	90.1	127.3	136.5	-61.7	-26.3	0	0	0	124.1
451	V	24.2	Very low	23.1	Very low	130 Å²	130	154.3 Å²	154.3	79%	0.788	81%	0.809	S	S	*	*			trans	-117.7	154.5	170.3	-154.4	0	0	0	0	107.4
452	P	29.4	Very low	23.2	Very low	112 Å²	112	159 Å²	159	73%	0.727	82%	0.818	S	S	*	*				-153.7	137.8	102	33	-12.3	0	0	0	118.3
453	L	22.9	Very low	23.6	Very low	150 Å²	150	157.8 Å²	157.8	79%	0.785	81%	0.813	S	S	*	*			trans	64.2	110.2	132.3	-55.3	172.4	0	0	0	123.4
454	L	23.7	Very low	23.7	Very low	158 Å²	158	155.6 Å²	155.6	83%	0.827	81%	0.807	S	S	*	*				32.3	149.5	121.9	-64.8	-177.5	0	0	0	121.9
455	P	28.8	Very low	23.8	Very low	110 Å²	110	161.1 Å²	161.1	71%	0.714	81%	0.813	S	S	*	*			cis	-155.8	167.2	46	43.1	-21.3	0	0	0	121.8
456	L	24.2	Very low	24	Very low	180 Å²	180	159 Å²	159	94%	0.942	81%	0.811	S	S	*	*			trans	43.1	116.8	145.6	-79.8	154.5	0	0	0	122.5
457	G	23.4	Very low	24.1	Very low	73 Å²	73	157 Å²	157	75%	0.753	82%	0.815	S	S	*	*			trans	177.3	82.8	160.4	0	0	0	0	0	121.7
458	K	24.9	Very low	24.4	Very low	213 Å²	213	157.4 Å²	157.4	93%	0.926	82%	0.817	S	S	*	*			trans	47.8	123.3	145.5	-63	177.5	-178.5	173.4	0	122.4
459	R	26.2	Very low	24.6	Very low	249 Å²	249	158.5 Å²	158.5	94%	0.94	82%	0.822	S	S	*	*			trans	-23	134.6	161.9	-68.6	174.8	169.7	170.6	-3.6	118.7
460	K	22.9	Very low	24.7	Very low	213 Å²	213	160.2 Å²	160.2	93%	0.926	83%	0.832	S	S	*	*			trans	-158.2	152.4	130.9	-123.5	177.5	-178.7	-178.5	0	112.3
461	R	23.2	Very low	24.8	Very low	234 Å²	234	162.3 Å²	162.3	88%	0.883	83%	0.834	S	S	*	*			trans	-94.7	167.9	171.9	-69.9	-177.3	178.3	-179.8	-1.3	110.8
462	L	23	Very low	24.6	Very low	165 Å²	165	161.8 Å²	161.8	86%	0.864	84%	0.835	S	S	*	*			trans	106.7	150.7	165.9	-86.2	120.3	0	0	0	116.3
463	P	29.3	Very low	24.3	Very low	106 Å²	106	164.1 Å²	164.1	69%	0.688	84%	0.84	S	S	*	*				-124.2	168.6	-91.4	42.9	-30.7	0	0	0	115
464	D	23.2	Very low	24.2	Very low	137 Å²	137	168 Å²	168	73%	0.733	85%	0.845	S	S	*	*			trans	31.9	116	146.5	-157.4	5.6	0	0	0	120.5
465	R	24.8	Very low	24.1	Very low	246 Å²	246	167 Å²	167	93%	0.928	85%	0.845	S	S	*	*			trans	-144.4	114.7	152.6	-85.6	-157.2	171.3	-156.5	-3.3	112.4
466	L	24.8	Very low	23.8	Very low	166 Å²	166	170.6 Å²	170.6	87%	0.869	85%	0.849	S	S	*	*			trans	-33	138.5	162.4	-63	154	0	0	0	115.6
467	S	23.3	Very low	23.8	Very low	119 Å²	119	171.1 Å²	171.1	83%	0.832	85%	0.847	S	S	*	*			trans	-127.9	136.4	158	57.7	0	0	0	0	110.5
468	Q	26.5	Very low	23.7	Very low	185 Å²	185	176.6 Å²	176.6	86%	0.864	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-81.2	163.4	-166.9	-83.4	177.3	-17.8	0	0	115.2
469	P	24.4	Very low	23.7	Very low	120 Å²	120	175.9 Å²	175.9	78%	0.779	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-87.5	152.6	-172.2	35	-36.7	0	0	0	114.9
470	T	23.3	Very low	23.5	Very low	146 Å²	146	173 Å²	173	90%	0.896	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-79.2	139.3	174.9	-43	0	0	0	0	112.1
471	K	23.5	Very low	23.4	Very low	197 Å²	197	171.9 Å²	171.9	86%	0.857	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-78.7	140.4	-179.2	-62.5	170.4	178.1	173.4	0	112.9
472	C	21.3	Very low	23.4	Very low	119 Å²	119	168.3 Å²	168.3	80%	0.804	85%	0.846	S	S	*	*			trans	179.9	150.2	147.8	-90.7	0	0	0	0	107.4
473	L	21.8	Very low	23.4	Very low	160 Å²	160	166 Å²	166	84%	0.838	84%	0.841	S	S	*	*			cis	-152.7	143	-15	-108.9	164.6	0	0	0	106.2
474	R	21.9	Very low	23.2	Very low	231 Å²	231	169.4 Å²	169.4	87%	0.872	85%	0.852	S	S	*	*			trans	-89	109.9	-172.9	-179.3	178	178.8	168.4	-0.3	111.7
475	V	22.3	Very low	23.2	Very low	138 Å²	138	173.9 Å²	173.9	84%	0.836	86%	0.859	S	S	*	*			trans	-91.9	130.9	166.5	179.7	0	0	0	0	108.9
476	K	22	Very low	23.5	Very low	185 Å²	185	169.3 Å²	169.3	80%	0.804	86%	0.858	S	S	*	*			trans	-78.7	138.1	169.9	-72.8	179.5	174.7	-179.2	0	108.7
477	Q	23.9	Very low	23.6	Very low	191 Å²	191	168.2 Å²	168.2	89%	0.893	85%	0.852	S	S	*	*			trans	-112	127.2	170.1	-155.8	167.6	7.4	0	0	107.4
478	E	21.8	Very low	23.9	Very low	189 Å²	189	166.3 Å²	166.3	88%	0.883	84%	0.838	S	S	*	*			trans	-82.9	138.8	175.1	-68	175.4	139.4	0	0	109
479	E	23.5	Very low	24.1	Very low	198 Å²	198	162.6 Å²	162.6	93%	0.925	83%	0.831	S	S	*	*			trans	-83	125.3	176	-69.8	176.7	120.1	0	0	109.8
480	E	22.4	Very low	24.5	Very low	188 Å²	188	165.1 Å²	165.1	88%	0.879	83%	0.832	S	S	*	*			trans	-106.4	109.2	165.9	-129.3	-173.3	174.4	0	0	108.9
481	E	22.2	Very low	25.2	Very low	189 Å²	189	162.1 Å²	162.1	88%	0.883	82%	0.817	S	S	*	*			trans	-73	136.7	174.2	-67.4	-171.3	128.2	0	0	111
482	L	21.5	Very low	26.3	Very low	159 Å²	159	155.9 Å²	155.9	83%	0.832	80%	0.798	S	S	*	*			trans	-123.5	144.7	166.8	-77.4	174.6	0	0	0	111.8
483	P	24.5	Very low	27	Very low	118 Å²	118	156.1 Å²	156.1	77%	0.766	79%	0.791	S	S	*	*			trans	-86.9	140.9	-157.5	-9.4	28.5	0	0	0	113.9	R485	P483-R485 PolarHBondContact O-N 2.67Å
484	L	24.4	Very low	28	Very low	176 Å²	176	156.1 Å²	156.1	92%	0.921	79%	0.787	S	S	*	*			trans	-54.3	129.8	170.5	-78.6	157.9	0	0	0	112.2
485	R	23.9	Very low	29	Very low	232 Å²	232	148.1 Å²	148.1	88%	0.875	77%	0.769	S	S	*	*			trans	-114.7	134.6	157.9	-82.3	-165.6	171.1	-163.9	-0.7	111	P483	P483-R485 PolarHBondContact O-N 2.67Å
486	T	29.8	Very low	29.8	Very low	149 Å²	149	143.5 Å²	143.5	91%	0.914	74%	0.741	S	S	*	*			trans	-63.5	129.5	-169.8	-36	0	0	0	0	112.9
487	I	27.8	Very low	30.6	Very low	143 Å²	143	139.2 Å²	139.2	73%	0.733	73%	0.727	S	S	*	*			trans	-112.5	148.4	174.4	-61.2	177.9	0	0	0	109.6
488	S	29.2	Very low	31.6	Very low	79 Å²	79	133 Å²	133	55%	0.552	70%	0.698	S	S	*	*			trans	-58.4	147.2	-174.8	-175	0	0	0	0	114.2	E490	S488-E490 PolarHBondContact O-N 2.74Å
489	P	31.8	Very low	32.5	Very low	108 Å²	108	130 Å²	130	70%	0.701	68%	0.684	S	S	*	*	S	Bend	trans	-71.3	-25.7	-170.6	-19.3	33.3	0	0	0	116.2	S492	P489-S492 WeakPolarHBondContact O-CB 3.45Å
490	E	31.8	Very low	33.3	Very low	173 Å²	173	121.2 Å²	121.2	81%	0.808	64%	0.644	S	S	*	*	H	α-helix	trans	-83.4	-26.9	-163.1	-70.8	-177.1	133.2	0	0	115.1	S488 S492	S488-E490 PolarHBondContact O-N 2.74Å; E490-S492 VanDerWaalsContact C-N 3.26Å; E490-S492 PolarHBondContact O-N 3.15Å
491	S	38.7	Very low	34.2	Very low	83 Å²	83	115.2 Å²	115.2	58%	0.58	62%	0.62	S	S	*	*	H	α-helix	trans	-75.2	-16.5	175.9	59.8	0	0	0	0	113.4
492	S	45.1	Very low	35.1	Very low	65 Å²	65	112.4 Å²	112.4	46%	0.455	61%	0.605	S	S	.	*	H	α-helix	trans	-64	-48.2	-177.5	177.9	0	0	0	0	112.2	P489 E490 Q494 A495 V496	P489-S492 WeakPolarHBondContact O-CB 3.45Å; E490-S492 VanDerWaalsContact C-N 3.26Å; E490-S492 PolarHBondContact O-N 3.15Å; S492-Q494 PolarHBondContact O-N 3.39Å; S492-A495 PolarHBondContact O-N 2.97Å; S492-V496 WeakPolarHBondContact O-CB 3.44Å; S492-V496 VanDerWaalsContact O-CG2 3.25Å; S492-V496 WeakPolarHBondContact O-CG2 3.4Å; S492-V496 PolarHBondContact O-N 2.98Å
493	L	37.6	Very low	36	Very low	124 Å²	124	108 Å²	108	65%	0.649	58%	0.582	S	S	*	*	H	α-helix	trans	-58.8	-43.1	-171.5	-106.5	158.9	0	0	0	113.2	L497	L493-L497 WeakPolarHBondContact O-CB 3.33Å; L493-L497 WeakPolarHBondContact O-CD1 3.38Å; L493-L497 WeakPolarHBondContact O-CG 3.39Å; L493-L497 PolarHBondContact O-N 3.39Å
494	Q	41.6	Very low	36.8	Very low	161 Å²	161	104.1 Å²	104.1	75%	0.752	56%	0.558	S	S	*	*	H	α-helix	trans	-76.5	-32.9	-177.8	-165.4	167.4	-0.2	0	0	112.7	S492 H498	S492-Q494 PolarHBondContact O-N 3.39Å; Q494-H498 WeakPolarHBondContact O-CB 3.43Å; Q494-H498 PolarHBondContact O-N 2.85Å; Q494-H498 VanDerWaalsContact O-N 3.08Å
495	A	43.4	Very low	37.5	Very low	62 Å²	62	96.7 Å²	96.7	51%	0.512	52%	0.522	S	S	.	.	H	α-helix	trans	-67.7	-44.6	172.5	0	0	0	0	0	111.5	S492 H498 Q499	S492-A495 PolarHBondContact O-N 2.97Å; A495-H498 PolarHBondContact O-N 3.48Å; A495-Q499 WeakPolarHBondContact O-CB 3.1Å; A495-Q499 PolarHBondContact O-N 2.99Å
496	V	39.9	Very low	38.3	Very low	41 Å²	41	92 Å²	92	25%	0.248	51%	0.511	C	S	.	.	H	α-helix	trans	-64.8	-37.2	176.3	170.6	0	0	0	0	111.8	S492 Q499 S500	S492-V496 WeakPolarHBondContact O-CB 3.44Å; S492-V496 VanDerWaalsContact O-CG2 3.25Å; S492-V496 WeakPolarHBondContact O-CG2 3.4Å; S492-V496 PolarHBondContact O-N 2.98Å; V496-Q499 PolarHBondContact O-N 3.24Å; V496-S500 WeakPolarHBondContact O-CB 3.26Å; V496-S500 PolarHBondContact O-N 2.98Å; V496-S500 PolarHBondContact O-OG 2.9Å
497	L	38.3	Very low	38.9	Very low	96 Å²	96	88.9 Å²	88.9	50%	0.503	50%	0.496	S	S	.	.	H	α-helix	trans	-66.3	-38.9	172.8	-78.3	167.2	0	0	0	112.6	L493 S500 V501	L493-L497 WeakPolarHBondContact O-CB 3.33Å; L493-L497 WeakPolarHBondContact O-CD1 3.38Å; L493-L497 WeakPolarHBondContact O-CG 3.39Å; L493-L497 PolarHBondContact O-N 3.39Å; L497-S500 WeakPolarHBondContact CA-OG 3.42Å; L497-S500 PolarHBondContact O-OG 2.89Å; L497-V501 WeakPolarHBondContact O-CB 3.49Å; L497-V501 PolarHBondContact O-N 3.1Å
498	H	43.8	Very low	39.4	Very low	60 Å²	60	86.6 Å²	86.6	28%	0.278	50%	0.498	S	S	.	.	H	α-helix	trans	-69	-35.8	176.5	-171.3	-85.3	0	0	0	112	Q494 A495 F502	Q494-H498 WeakPolarHBondContact O-CB 3.43Å; Q494-H498 PolarHBondContact O-N 2.85Å; Q494-H498 VanDerWaalsContact O-N 3.08Å; A495-H498 PolarHBondContact O-N 3.48Å; H498-F502 PolarHBondContact O-N 3.38Å
499	Q	41.3	Very low	39.8	Very low	127 Å²	127	90.1 Å²	90.1	59%	0.593	51%	0.506	S	S	*	.	I	π-helix	trans	-70.8	-42.1	176.4	-160.6	169.8	30.9	0	0	112.4	A495 V496 L503	A495-Q499 WeakPolarHBondContact O-CB 3.1Å; A495-Q499 PolarHBondContact O-N 2.99Å; V496-Q499 PolarHBondContact O-N 3.24Å; Q499-L503 HydrophobicContact CG-CD1 4.5Å
500	S	41.4	Very low	40.4	Very low	12 Å²	12	88.9 Å²	88.9	8%	0.084	50%	0.498	C	S	.	.	I	π-helix	trans	-73.9	-47.1	-178.1	53.7	0	0	0	0	113.4	V496 L497 H521	V496-S500 WeakPolarHBondContact O-CB 3.26Å; V496-S500 PolarHBondContact O-N 2.98Å; V496-S500 PolarHBondContact O-OG 2.9Å; L497-S500 WeakPolarHBondContact CA-OG 3.42Å; L497-S500 PolarHBondContact O-OG 2.89Å; S500-H521 PolarHBondContact O-CE1 3.1Å; S500-H521 PolarHBondContact O-NE2 2.83Å
501	V	39.9	Very low	40.8	Very low	63 Å²	63	83.8 Å²	83.8	38%	0.382	49%	0.491	S	S	.	.	I	π-helix	trans	-86.6	-37	-170.2	-177.5	0	0	0	0	114.1	L497	L497-V501 WeakPolarHBondContact O-CB 3.49Å; L497-V501 PolarHBondContact O-N 3.1Å
502	F	41.1	Very low	41	Very low	130 Å²	130	91.1 Å²	91.1	57%	0.57	51%	0.506	S	S	*	.	I	π-helix	trans	-104.4	-36	-167.7	-86.3	-89.5	0	0	0	115.2	H498 M506	H498-F502 PolarHBondContact O-N 3.38Å; F502-M506 WeakPolarHBondContact O-CG 3.42Å
503	L	40.2	Very low	40.7	Very low	67 Å²	67	95.8 Å²	95.8	35%	0.351	53%	0.526	S	S	.	.	I	π-helix	trans	-77.3	-39.9	-175.4	-84.1	153.9	0	0	0	112.4	Q499 A505 M506	Q499-L503 HydrophobicContact CG-CD1 4.5Å; L503-A505 VanDerWaalsContact C-N 3.29Å; L503-A505 PolarHBondContact O-N 3.19Å; L503-M506 PolarHBondContact O-N 3.09Å
504	S	41.5	Very low	41.1	Very low	36 Å²	36	92 Å²	92	25%	0.252	51%	0.506	S	S	.	.	G	3₁₀ helix	trans	-62.3	-32.7	177.5	-52.7	0	0	0	0	113.5	M506	S504-M506 VanDerWaalsContact C-N 3.26Å; S504-M506 PolarHBondContact O-N 3.19Å
505	A	40.4	Very low	41.2	Very low	19 Å²	19	88.5 Å²	88.5	16%	0.157	50%	0.499	C	S	.	.	G	3₁₀ helix	trans	-79.7	-0.7	-178.5	0	0	0	0	0	114.4	L503 L591	L503-A505 VanDerWaalsContact C-N 3.29Å; L503-A505 PolarHBondContact O-N 3.19Å; A505-L591 HydrophobicContact CB-CD2 3.68Å
506	M	40.8	Very low	41.1	Very low	134 Å²	134	93.1 Å²	93.1	66%	0.66	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-122.9	6.3	-173.7	-62.3	-90.1	79.6	0	0	113.6	F502 L503 S504	F502-M506 WeakPolarHBondContact O-CG 3.42Å; L503-M506 PolarHBondContact O-N 3.09Å; S504-M506 VanDerWaalsContact C-N 3.26Å; S504-M506 PolarHBondContact O-N 3.19Å
507	S	41.9	Very low	41.5	Very low	84 Å²	84	92.3 Å²	92.3	59%	0.587	51%	0.51	S	S	*	.			trans	-81.6	136.4	174.7	-173.5	0	0	0	0	111.7	Q509	S507-Q509 PolarHBondContact OG-N 3.31Å; S507-Q509 PolarHBondContact OG-O 3.35Å
508	A	37.3	Very low	42	Very low	94 Å²	94	90 Å²	90	78%	0.777	50%	0.495	S	S	*	.	S	Bend	trans	-83.7	-11	177.5	0	0	0	0	0	114.1
509	Q	39	Very low	42.2	Very low	154 Å²	154	92.3 Å²	92.3	72%	0.72	51%	0.506	S	S	*	.			trans	-147.4	129.9	177.6	-68.1	-61.8	-27.3	0	0	111	S507 G511	S507-Q509 PolarHBondContact OG-N 3.31Å; S507-Q509 PolarHBondContact OG-O 3.35Å; Q509-G511 PolarHBondContact O-N 3.36Å
510	P	42.8	Very low	42.5	Very low	82 Å²	82	91 Å²	91	53%	0.532	50%	0.5	S	S	.	.			trans	-92.8	85	177.2	34.8	-30.2	0	0	0	110.8	L514	P510-L514 HydrophobicContact CB-CD1 4.37Å
511	G	40.2	Very low	42.9	Very low	65 Å²	65	91.4 Å²	91.4	67%	0.67	50%	0.501	S	S	*	.			trans	-91.2	-86.6	-173.7	0	0	0	0	0	115.3	Q509	Q509-G511 PolarHBondContact O-N 3.36Å
512	R	43.2	Very low	43.2	Very low	237 Å²	237	95.4 Å²	95.4	89%	0.894	51%	0.509	S	S	*	.	S	Bend	trans	-138.6	-17.6	-160.2	-64.2	-172.4	175.1	-171.5	-4.4	117.2	L514	R512-L514 PolarHBondContact O-N 2.82Å
513	D	39.8	Very low	43.4	Very low	163 Å²	163	96.9 Å²	96.9	87%	0.872	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	5.7	-175.3	-80.7	-13.8	0	0	0	115.7
514	L	45.2	Very low	43.8	Very low	46 Å²	46	99.8 Å²	99.8	24%	0.241	53%	0.53	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-7	-169.2	-83.4	167.5	0	0	0	115.6	P510 R512 L516 C517 W518	P510-L514 HydrophobicContact CB-CD1 4.37Å; R512-L514 PolarHBondContact O-N 2.82Å; L514-L516 VanDerWaalsContact C-N 3.35Å; L514-L516 PolarHBondContact O-N 2.71Å; L514-C517 PolarHBondContact O-N 3.13Å; L514-W518 HydrophobicContact CD1-CZ2 4.13Å; L514-W518 HydrophobicContact CD2-CZ2 3.93Å
515	S	43	Very low	44.6	Very low	86 Å²	86	99.2 Å²	99.2	60%	0.601	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-38.6	-170.3	59.7	0	0	0	0	114.2
516	L	42.5	Very low	45.2	Very low	159 Å²	159	103.2 Å²	103.2	83%	0.832	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-17.8	-175	-72.5	163.9	0	0	0	114.4	L514	L514-L516 VanDerWaalsContact C-N 3.35Å; L514-L516 PolarHBondContact O-N 2.71Å
517	C	48.2	Very low	45.8	Very low	24 Å²	24	99 Å²	99	16%	0.162	54%	0.539	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-21.9	178	-171	0	0	0	0	112.8	L514	L514-C517 PolarHBondContact O-N 3.13Å
518	W	47.8	Very low	46.5	Very low	47 Å²	47	95.3 Å²	95.3	18%	0.178	51%	0.513	C	S	.	.	H	α-helix	trans	-77.3	-29.2	-171	-77.2	141.7	0	0	0	115.8	L514 Q520 H521 R522	L514-W518 HydrophobicContact CD1-CZ2 4.13Å; L514-W518 HydrophobicContact CD2-CZ2 3.93Å; W518-Q520 PolarHBondContact O-N 2.93Å; W518-H521 HydrophobicContact CE3-CB 3.95Å; W518-H521 AromaticContact CE3-ND1 3.48Å; W518-H521 HydrophobicContact CZ3-CB 4.22Å; W518-H521 AromaticContact CZ3-ND1 3.38Å; W518-H521 WeakPolarHBondContact CZ3-ND1 3.46Å; W518-H521 PolarHBondContact O-N 2.9Å; W518-R522 PolarHBondContact O-N 2.97Å
519	E	48.4	Very low	47.3	Very low	109 Å²	109	94.1 Å²	94.1	51%	0.509	50%	0.503	S	S	.	.	H	α-helix	trans	-63.4	-23.8	179.1	-122.8	64.5	-121	0	0	113.4	R522	E519-R522 IonicContact OE1-NH1 2.67Å; E519-R522 PolarHBondContact OE1-NH1 2.9Å
520	Q	48.7	Very low	48.1	Very low	99 Å²	99	96.6 Å²	96.6	46%	0.463	51%	0.506	S	S	.	.	H	α-helix	trans	-82.5	-37.1	174.8	-87.2	176.1	-25.8	0	0	112.8	W518 K523	W518-Q520 PolarHBondContact O-N 2.93Å; Q520-K523 WeakPolarHBondContact O-CB 3.49Å; Q520-K523 PolarHBondContact O-N 2.57Å
521	H	49.8	Very low	49.2	Very low	22 Å²	22	97 Å²	97	10%	0.102	50%	0.5	C	S	.	.	H	α-helix	trans	-69.9	-33.6	178.9	-74.4	134	0	0	0	113.4	S500 W518 K523 L524	S500-H521 PolarHBondContact O-CE1 3.1Å; S500-H521 PolarHBondContact O-NE2 2.83Å; W518-H521 HydrophobicContact CE3-CB 3.95Å; W518-H521 AromaticContact CE3-ND1 3.48Å; W518-H521 HydrophobicContact CZ3-CB 4.22Å; W518-H521 AromaticContact CZ3-ND1 3.38Å; W518-H521 WeakPolarHBondContact CZ3-ND1 3.46Å; W518-H521 PolarHBondContact O-N 2.9Å; H521-K523 PolarHBondContact O-N 2.83Å; H521-K523 VanDerWaalsContact O-N 3.09Å; H521-L524 PolarHBondContact O-N 3.11Å
522	R	44.7	Very low	50.6	Low	147 Å²	147	99 Å²	99	56%	0.555	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-27.2	172.4	-77.3	176.8	75	-173.2	9.4	113.2	W518 E519 L524	W518-R522 PolarHBondContact O-N 2.97Å; E519-R522 IonicContact OE1-NH1 2.67Å; E519-R522 PolarHBondContact OE1-NH1 2.9Å; R522-L524 VanDerWaalsContact C-N 3.35Å
523	K	46.9	Very low	52.1	Low	161 Å²	161	87.7 Å²	87.7	70%	0.7	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-18.4	179.4	-61	179.2	-178.2	179.5	0	113.6	Q520 H521	Q520-K523 WeakPolarHBondContact O-CB 3.49Å; Q520-K523 PolarHBondContact O-N 2.57Å; H521-K523 PolarHBondContact O-N 2.83Å; H521-K523 VanDerWaalsContact O-N 3.09Å
524	L	47.9	Very low	53.7	Low	128 Å²	128	84.6 Å²	84.6	67%	0.67	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-14	-178.1	-68.2	172	0	0	0	113.6	H521 R522	H521-L524 PolarHBondContact O-N 3.11Å; R522-L524 VanDerWaalsContact C-N 3.35Å
525	L	58.2	Low	55.3	Low	24 Å²	24	84.8 Å²	84.8	13%	0.126	44%	0.44	C	S	.	.			trans	-134.4	66.2	-178.7	-69.2	176.5	0	0	0	112.1	G527 V528 L551 M599	L525-G527 PolarHBondContact O-N 3.47Å; L525-G527 VanDerWaalsContact O-N 3.1Å; L525-V528 HydrophobicContact CB-CG2 3.88Å; L525-V528 HydrophobicContact CD1-CG2 4.5Å; L525-V528 PolarHBondContact O-N 2.92Å; L525-L551 HydrophobicContact CD2-CD2 3.9Å; L525-M599 HydrophobicContact CB-CE 4.12Å; L525-M599 HydrophobicContact CD1-CE 3.58Å
526	P	52.6	Low	57.3	Low	102 Å²	102	80.7 Å²	80.7	66%	0.662	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-20.4	-168.8	-21.5	34.3	0	0	0	115.3
527	G	53.2	Low	59.4	Low	46 Å²	46	78.1 Å²	78.1	47%	0.474	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-23	179.7	0	0	0	0	0	114.8	L525	L525-G527 PolarHBondContact O-N 3.47Å; L525-G527 VanDerWaalsContact O-N 3.1Å
528	V	57.6	Low	61.3	Low	6 Å²	6	82.1 Å²	82.1	4%	0.036	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-80.5	-24.4	-169.6	-167.9	0	0	0	0	112.3	L525 R530 F547 L551 M599 F600	L525-V528 HydrophobicContact CB-CG2 3.88Å; L525-V528 HydrophobicContact CD1-CG2 4.5Å; L525-V528 PolarHBondContact O-N 2.92Å; V528-R530 PolarHBondContact O-N 2.73Å; V528-F547 HydrophobicContact CB-CE2 4.37Å; V528-F547 HydrophobicContact CB-CZ 4.37Å; V528-F547 HydrophobicContact CG1-CE2 4.05Å; V528-F547 HydrophobicContact CG1-CZ 3.79Å; V528-F547 HydrophobicContact CG2-CE2 3.87Å; V528-F547 HydrophobicContact CG2-CZ 3.77Å; V528-L551 HydrophobicContact CG2-CD2 4Å; V528-M599 HydrophobicContact CB-CE 3.74Å; V528-M599 HydrophobicContact CG1-CE 3.64Å; V528-M599 HydrophobicContact CG2-CE 4.1Å; V528-F600 HydrophobicContact CG1-CD1 4.23Å; V528-F600 HydrophobicContact CG1-CE1 3.44Å; V528-F600 VanDerWaalsContact CG1-CE1 3.44Å; V528-F600 HydrophobicContact CG1-CE2 4.45Å; V528-F600 HydrophobicContact CG1-CZ 3.59Å
529	A	53.8	Low	63.4	Low	69 Å²	69	81 Å²	81	57%	0.57	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-71.3	18.4	-178.3	0	0	0	0	0	115.3
530	R	55.5	Low	65.5	Low	206 Å²	206	79.5 Å²	79.5	78%	0.777	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-113.3	-5	-177.3	-64.6	-171.3	-179	-174.6	1.2	114.6	V528	V528-R530 PolarHBondContact O-N 2.73Å
531	F	65.5	Low	67.5	Low	91 Å²	91	76.7 Å²	76.7	40%	0.399	40%	0.401	S	S	.	.			trans	-128.7	133.6	-175.3	-52.6	-75.4	0	0	0	110.9	V536 W539 F600	F531-V536 HydrophobicContact CB-CG2 4.09Å; F531-W539 HydrophobicContact CB-CZ2 4.02Å; F531-W539 HydrophobicContact CD1-CZ2 4.01Å; F531-W539 HydrophobicContact CD2-CH2 4.23Å; F531-W539 AromaticContact CD2-CZ2 3.92Å; F531-W539 HydrophobicContact CD2-CZ2 3.92Å; F531-W539 HydrophobicContact CE1-CZ2 4.45Å; F531-W539 HydrophobicContact CE2-CZ2 4.37Å; F531-W539 HydrophobicContact CG-CH2 4.41Å; F531-W539 AromaticContact CG-CZ2 3.71Å; F531-W539 HydrophobicContact CG-CZ2 3.71Å; F531-F600 HydrophobicContact CB-CD1 4.5Å; F531-F600 HydrophobicContact CB-CE1 3.9Å; F531-F600 WeakPolarHBondContact O-CD1 3.24Å
532	H	69.8	Low	69.4	Low	106 Å²	106	79.5 Å²	79.5	49%	0.491	42%	0.415	S	S	.	.			trans	-91	153.7	171.4	-70.5	-101.7	0	0	0	109.9	D534 A535 V536	H532-D534 PolarHBondContact O-N 3.33Å; H532-A535 WeakPolarHBondContact O-CB 3.29Å; H532-A535 PolarHBondContact O-N 3.46Å; H532-V536 WeakPolarHBondContact O-CG2 3.35Å; H532-V536 PolarHBondContact O-N 2.69Å; H532-V536 VanDerWaalsContact O-N 3.08Å
533	A	75	Confident	71.5	Confident	1 Å²	1	76.8 Å²	76.8	1%	0.008	41%	0.408	C	S	.	.	H	α-helix	trans	-60.1	-28.9	-178.3	0	0	0	0	0	114.1	A535 V536 R537 L572 F600 E604	A533-A535 VanDerWaalsContact C-N 3.33Å; A533-A535 PolarHBondContact O-N 2.95Å; A533-V536 CarbonylContact O-C 3.49Å; A533-V536 PolarHBondContact O-N 3.28Å; A533-R537 VanDerWaalsContact O-CB 3.24Å; A533-R537 WeakPolarHBondContact O-CB 3.49Å; A533-R537 PolarHBondContact O-N 3.11Å; A533-L572 HydrophobicContact CB-CD1 4.1Å; A533-L572 HydrophobicContact CB-CD2 4.21Å; A533-F600 HydrophobicContact CB-CB 3.98Å; A533-F600 WeakPolarHBondContact CB-O 3.4Å; A533-E604 HydrophobicContact CB-CG 3.93Å; A533-E604 WeakPolarHBondContact CB-OE1 3.29Å
534	D	73.3	Confident	73.6	Confident	98 Å²	98	69.1 Å²	69.1	52%	0.524	38%	0.375	S	S	.	.	H	α-helix	trans	-60.8	-38.6	170.7	-73.2	-48.6	0	0	0	113.2	H532 R537	H532-D534 PolarHBondContact O-N 3.33Å; D534-R537 IonicContact OD1-CZ 3.91Å; D534-R537 IonicContact OD1-NH1 4Å; D534-R537 IonicContact OD1-NH2 3.72Å
535	A	79	Confident	75.6	Confident	49 Å²	49	63 Å²	63	41%	0.405	34%	0.343	S	S	.	.	H	α-helix	trans	-70.8	-40.4	174.7	0	0	0	0	0	111.2	H532 A533 R537 C538 W539	H532-A535 WeakPolarHBondContact O-CB 3.29Å; H532-A535 PolarHBondContact O-N 3.46Å; A533-A535 VanDerWaalsContact C-N 3.33Å; A533-A535 PolarHBondContact O-N 2.95Å; A535-R537 VanDerWaalsContact C-N 3.32Å; A535-R537 PolarHBondContact O-N 2.71Å; A535-C538 PolarHBondContact O-N 2.86Å; A535-W539 PolarHBondContact O-NE1 2.96Å
536	V	84.8	Confident	77	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-64.2	-36.8	176.7	179.2	0	0	0	0	111.3	F531 H532 A533 C538 W539 G568 F571 L572 F600	F531-V536 HydrophobicContact CB-CG2 4.09Å; H532-V536 WeakPolarHBondContact O-CG2 3.35Å; H532-V536 PolarHBondContact O-N 2.69Å; H532-V536 VanDerWaalsContact O-N 3.08Å; A533-V536 CarbonylContact O-C 3.49Å; A533-V536 PolarHBondContact O-N 3.28Å; V536-C538 PolarHBondContact O-N 3.29Å; V536-C538 VanDerWaalsContact O-N 3.14Å; V536-W539 HydrophobicContact CB-CD2 4.27Å; V536-W539 HydrophobicContact CB-CE3 4.49Å; V536-W539 HydrophobicContact CG1-CD2 4.07Å; V536-W539 HydrophobicContact CG1-CE3 3.85Å; V536-W539 HydrophobicContact CG1-CZ3 4.11Å; V536-W539 HydrophobicContact CG2-CD2 4.32Å; V536-W539 HydrophobicContact CG2-CE3 4.49Å; V536-W539 HydrophobicContact CG2-CH2 3.95Å; V536-W539 HydrophobicContact CG2-CZ2 3.75Å; V536-W539 HydrophobicContact CG2-CZ3 4.3Å; V536-W539 VanDerWaalsContact O-CB 3.25Å; V536-W539 WeakPolarHBondContact O-CB 3.47Å; V536-W539 PolarHBondContact O-N 3.21Å; V536-G568 CarbonylContact O-C 3.59Å; V536-G568 WeakPolarHBondContact O-CA 3.27Å; V536-F571 HydrophobicContact CG1-CD1 4.2Å; V536-L572 HydrophobicContact CB-CD1 4.26Å; V536-L572 HydrophobicContact CB-CD2 4.42Å; V536-L572 HydrophobicContact CG1-CD1 4.12Å; V536-L572 HydrophobicContact CG1-CD2 3.91Å; V536-L572 HydrophobicContact CG1-CG 3.88Å; V536-F600 HydrophobicContact CB-CD2 4.4Å; V536-F600 HydrophobicContact CG1-CD2 4.01Å; V536-F600 HydrophobicContact CG1-CE2 4.19Å; V536-F600 HydrophobicContact CG2-CB 4.43Å; V536-F600 HydrophobicContact CG2-CD1 3.89Å; V536-F600 HydrophobicContact CG2-CD2 3.77Å; V536-F600 HydrophobicContact CG2-CE1 3.97Å; V536-F600 HydrophobicContact CG2-CE2 3.84Å; V536-F600 HydrophobicContact CG2-CG 3.79Å; V536-F600 HydrophobicContact CG2-CZ 3.93Å
537	R	86.8	Confident	78.7	Confident	106 Å²	106	61.2 Å²	61.2	40%	0.4	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-21	177.4	-165.2	179.1	-61	177.8	0.7	113	A533 D534 A535 R569 L572 E604	A533-R537 VanDerWaalsContact O-CB 3.24Å; A533-R537 WeakPolarHBondContact O-CB 3.49Å; A533-R537 PolarHBondContact O-N 3.11Å; D534-R537 IonicContact OD1-CZ 3.91Å; D534-R537 IonicContact OD1-NH1 4Å; D534-R537 IonicContact OD1-NH2 3.72Å; A535-R537 VanDerWaalsContact C-N 3.32Å; A535-R537 PolarHBondContact O-N 2.71Å; R537-R569 HydrophobicContact CG-CG 4.03Å; R537-R569 WeakPolarHBondContact O-CG 3.38Å; R537-L572 HydrophobicContact CB-CD1 4.03Å; R537-E604 IonicContact CZ-OE1 3.47Å; R537-E604 IonicContact NH2-OE1 3.69Å; R537-E604 PolarHBondContact NH2-OE1 3.31Å; R537-E604 IonicContact NH2-OE2 3.74Å; R537-E604 PolarHBondContact NH2-OE2 3.11Å
538	C	87.8	Confident	80.4	Confident	107 Å²	107	59 Å²	59	72%	0.723	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	5.5	174.2	-66.5	0	0	0	0	113.9	A535 V536	A535-C538 PolarHBondContact O-N 2.86Å; V536-C538 PolarHBondContact O-N 3.29Å; V536-C538 VanDerWaalsContact O-N 3.14Å
539	W	92.5	Very high	81.9	Confident	25 Å²	25	63 Å²	63	10%	0.095	32%	0.323	C	S	.	.			trans	-69.5	133.8	177.1	-72.3	1.9	0	0	0	112	F531 A535 V536 Q543 V544 F547 G568 F600	F531-W539 HydrophobicContact CB-CZ2 4.02Å; F531-W539 HydrophobicContact CD1-CZ2 4.01Å; F531-W539 HydrophobicContact CD2-CH2 4.23Å; F531-W539 AromaticContact CD2-CZ2 3.92Å; F531-W539 HydrophobicContact CD2-CZ2 3.92Å; F531-W539 HydrophobicContact CE1-CZ2 4.45Å; F531-W539 HydrophobicContact CE2-CZ2 4.37Å; F531-W539 HydrophobicContact CG-CH2 4.41Å; F531-W539 AromaticContact CG-CZ2 3.71Å; F531-W539 HydrophobicContact CG-CZ2 3.71Å; A535-W539 PolarHBondContact O-NE1 2.96Å; V536-W539 HydrophobicContact CB-CD2 4.27Å; V536-W539 HydrophobicContact CB-CE3 4.49Å; V536-W539 HydrophobicContact CG1-CD2 4.07Å; V536-W539 HydrophobicContact CG1-CE3 3.85Å; V536-W539 HydrophobicContact CG1-CZ3 4.11Å; V536-W539 HydrophobicContact CG2-CD2 4.32Å; V536-W539 HydrophobicContact CG2-CE3 4.49Å; V536-W539 HydrophobicContact CG2-CH2 3.95Å; V536-W539 HydrophobicContact CG2-CZ2 3.75Å; V536-W539 HydrophobicContact CG2-CZ3 4.3Å; V536-W539 VanDerWaalsContact O-CB 3.25Å; V536-W539 WeakPolarHBondContact O-CB 3.47Å; V536-W539 PolarHBondContact O-N 3.21Å; W539-Q543 HydrophobicContact CB-CB 3.93Å; W539-Q543 HydrophobicContact CD2-CB 4.35Å; W539-Q543 HydrophobicContact CG-CB 3.99Å; W539-V544 HydrophobicContact CB-CG2 4.01Å; W539-V544 HydrophobicContact CE3-CG2 4.11Å; W539-F547 HydrophobicContact CE3-CB 4.38Å; W539-F547 HydrophobicContact CH2-CB 3.93Å; W539-F547 HydrophobicContact CH2-CD1 4.39Å; W539-F547 AromaticContact CH2-CD2 3.67Å; W539-F547 HydrophobicContact CH2-CD2 3.67Å; W539-F547 HydrophobicContact CH2-CE2 4.33Å; W539-F547 AromaticContact CH2-CG 3.71Å; W539-F547 HydrophobicContact CH2-CG 3.71Å; W539-F547 HydrophobicContact CZ3-CB 3.53Å; W539-F547 AromaticContact CZ3-CD1 3.92Å; W539-F547 HydrophobicContact CZ3-CD1 3.92Å; W539-F547 AromaticContact CZ3-CD2 3.99Å; W539-F547 HydrophobicContact CZ3-CD2 3.99Å; W539-F547 AromaticContact CZ3-CG 3.51Å; W539-F547 HydrophobicContact CZ3-CG 3.51Å; W539-G568 PolarHBondContact O-N 2.92Å; W539-F600 HydrophobicContact CH2-CE2 4.18Å; W539-F600 AromaticContact CH2-CZ 3.82Å; W539-F600 HydrophobicContact CH2-CZ 3.82Å; W539-F600 HydrophobicContact CZ3-CE2 4.27Å; W539-F600 HydrophobicContact CZ3-CZ 4.35Å
540	T	92.4	Very high	83.3	Confident	77 Å²	77	63.5 Å²	63.5	47%	0.472	32%	0.322	S	S	.	.			trans	-69.1	161.3	164.7	60.4	0	0	0	0	110.9	Q542 Q543 V544	T540-Q542 PolarHBondContact O-N 2.77Å; T540-Q543 PolarHBondContact O-N 2.99Å; T540-Q543 WeakPolarHBondContact OG1-CG 3.34Å; T540-Q543 PolarHBondContact OG1-N 2.89Å; T540-Q543 PolarHBondContact OG1-OE1 3.47Å; T540-V544 PolarHBondContact O-N 2.82Å
541	V	90.5	Very high	84.6	Confident	39 Å²	39	53.9 Å²	53.9	24%	0.236	29%	0.286	C	S	.	.	H	α-helix	trans	-51.1	-39	173.7	-179.8	0	0	0	0	111.9	V544 S545 Q565 D567	V541-V544 PolarHBondContact O-N 3Å; V541-S545 WeakPolarHBondContact O-CB 3.38Å; V541-S545 PolarHBondContact O-N 3.45Å; V541-Q565 HydrophobicContact CG2-CB 4.4Å; V541-D567 HydrophobicContact CG2-CB 4.2Å
542	Q	90.2	Very high	85.1	Confident	82 Å²	82	53.3 Å²	53.3	38%	0.383	29%	0.292	S	S	.	.	H	α-helix	trans	-63.6	-45.2	177.6	-171	54.5	55.3	0	0	111.5	T540 V544 S545 D546	T540-Q542 PolarHBondContact O-N 2.77Å; Q542-V544 PolarHBondContact O-N 3.45Å; Q542-S545 WeakPolarHBondContact O-CB 3.38Å; Q542-S545 PolarHBondContact O-N 2.88Å; Q542-D546 PolarHBondContact NE2-OD1 2.81Å; Q542-D546 WeakPolarHBondContact O-CB 3.19Å; Q542-D546 PolarHBondContact O-N 2.82Å
543	Q	87.6	Confident	85.5	Confident	89 Å²	89	50.2 Å²	50.2	42%	0.416	29%	0.289	S	S	.	.	H	α-helix	trans	-66.9	-34.9	178.7	-69.6	164.3	-64.9	0	0	112.9	W539 T540 F547	W539-Q543 HydrophobicContact CB-CB 3.93Å; W539-Q543 HydrophobicContact CD2-CB 4.35Å; W539-Q543 HydrophobicContact CG-CB 3.99Å; T540-Q543 PolarHBondContact O-N 2.99Å; T540-Q543 WeakPolarHBondContact OG1-CG 3.34Å; T540-Q543 PolarHBondContact OG1-N 2.89Å; T540-Q543 PolarHBondContact OG1-OE1 3.47Å; Q543-F547 WeakPolarHBondContact O-CB 3.41Å; Q543-F547 PolarHBondContact O-N 2.86Å
544	V	91.3	Very high	85.9	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63.6	-44.2	171.2	173.6	0	0	0	0	110.9	W539 T540 V541 Q542 F547 V548 F561 I566 F571	W539-V544 HydrophobicContact CB-CG2 4.01Å; W539-V544 HydrophobicContact CE3-CG2 4.11Å; T540-V544 PolarHBondContact O-N 2.82Å; V541-V544 PolarHBondContact O-N 3Å; Q542-V544 PolarHBondContact O-N 3.45Å; V544-F547 PolarHBondContact O-N 3.05Å; V544-V548 WeakPolarHBondContact O-CG2 3.45Å; V544-V548 PolarHBondContact O-N 2.65Å; V544-F561 HydrophobicContact CG1-CD1 3.9Å; V544-I566 WeakPolarHBondContact CB-O 3.33Å; V544-I566 HydrophobicContact CG1-CG2 4.29Å; V544-F571 HydrophobicContact CG1-CB 4.1Å; V544-F571 HydrophobicContact CG1-CD2 3.42Å; V544-F571 VanDerWaalsContact CG1-CD2 3.42Å; V544-F571 HydrophobicContact CG1-CE2 4.01Å; V544-F571 HydrophobicContact CG1-CG 3.87Å; V544-F571 HydrophobicContact CG2-CB 4.14Å; V544-F571 HydrophobicContact CG2-CG 4.43Å
545	S	90.2	Very high	86.5	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-64.9	-48.6	178.3	-170.5	0	0	0	0	112.2	V541 Q542 F547 V548 E549 A558 R562	V541-S545 WeakPolarHBondContact O-CB 3.38Å; V541-S545 PolarHBondContact O-N 3.45Å; Q542-S545 WeakPolarHBondContact O-CB 3.38Å; Q542-S545 PolarHBondContact O-N 2.88Å; S545-F547 PolarHBondContact O-N 2.87Å; S545-V548 PolarHBondContact O-N 3.06Å; S545-V548 VanDerWaalsContact O-N 3.07Å; S545-E549 WeakPolarHBondContact O-CB 3.48Å; S545-E549 PolarHBondContact O-N 3.25Å; S545-A558 WeakPolarHBondContact O-CB 3.49Å; S545-A558 VanDerWaalsContact OG-C 3.29Å; S545-A558 PolarHBondContact OG-O 3.45Å; S545-R562 WeakPolarHBondContact OG-CG 3.43Å; S545-R562 PolarHBondContact OG-NE 3.32Å; S545-R562 PolarHBondContact OG-NH2 2.88Å
546	D	87.8	Confident	86.8	Confident	77 Å²	77	54.6 Å²	54.6	41%	0.412	30%	0.302	S	S	.	.	H	α-helix	trans	-57.2	-37.9	176	-63.1	-26.7	0	0	0	111.4	Q542 S550	Q542-D546 PolarHBondContact NE2-OD1 2.81Å; Q542-D546 WeakPolarHBondContact O-CB 3.19Å; Q542-D546 PolarHBondContact O-N 2.82Å; D546-S550 PolarHBondContact O-N 2.6Å
547	F	89.1	Confident	87	Confident	12 Å²	12	56.3 Å²	56.3	5%	0.053	31%	0.31	C	S	.	.	H	α-helix	trans	-65.7	-47.6	174	175.3	-99.9	0	0	0	112.3	V528 W539 Q543 V544 S545 E549 S550 L551 F571 F600	V528-F547 HydrophobicContact CB-CE2 4.37Å; V528-F547 HydrophobicContact CB-CZ 4.37Å; V528-F547 HydrophobicContact CG1-CE2 4.05Å; V528-F547 HydrophobicContact CG1-CZ 3.79Å; V528-F547 HydrophobicContact CG2-CE2 3.87Å; V528-F547 HydrophobicContact CG2-CZ 3.77Å; W539-F547 HydrophobicContact CE3-CB 4.38Å; W539-F547 HydrophobicContact CH2-CB 3.93Å; W539-F547 HydrophobicContact CH2-CD1 4.39Å; W539-F547 AromaticContact CH2-CD2 3.67Å; W539-F547 HydrophobicContact CH2-CD2 3.67Å; W539-F547 HydrophobicContact CH2-CE2 4.33Å; W539-F547 AromaticContact CH2-CG 3.71Å; W539-F547 HydrophobicContact CH2-CG 3.71Å; W539-F547 HydrophobicContact CZ3-CB 3.53Å; W539-F547 AromaticContact CZ3-CD1 3.92Å; W539-F547 HydrophobicContact CZ3-CD1 3.92Å; W539-F547 AromaticContact CZ3-CD2 3.99Å; W539-F547 HydrophobicContact CZ3-CD2 3.99Å; W539-F547 AromaticContact CZ3-CG 3.51Å; W539-F547 HydrophobicContact CZ3-CG 3.51Å; Q543-F547 WeakPolarHBondContact O-CB 3.41Å; Q543-F547 PolarHBondContact O-N 2.86Å; V544-F547 PolarHBondContact O-N 3.05Å; S545-F547 PolarHBondContact O-N 2.87Å; F547-E549 VanDerWaalsContact C-N 3.29Å; F547-E549 PolarHBondContact O-N 2.83Å; F547-S550 WeakPolarHBondContact O-CB 3.5Å; F547-S550 PolarHBondContact O-N 3.35Å; F547-S550 VanDerWaalsContact O-N 3.14Å; F547-S550 PolarHBondContact O-OG 2.85Å; F547-L551 HydrophobicContact CE1-CD1 4.04Å; F547-L551 HydrophobicContact CE1-CD2 4.46Å; F547-L551 HydrophobicContact CE1-CG 4.37Å; F547-L551 HydrophobicContact CZ-CD1 4.46Å; F547-L551 HydrophobicContact CZ-CD2 4.08Å; F547-L551 HydrophobicContact CZ-CG 4.43Å; F547-L551 PolarHBondContact O-N 3.19Å; F547-F571 HydrophobicContact CD1-CE1 4.37Å; F547-F571 HydrophobicContact CD1-CZ 4.02Å; F547-F571 HydrophobicContact CE1-CE1 4.3Å; F547-F571 AromaticContact CE1-CZ 3.99Å; F547-F571 HydrophobicContact CE1-CZ 3.99Å; F547-F600 HydrophobicContact CD2-CZ 4.41Å; F547-F600 AromaticContact CE1-CE2 3.99Å; F547-F600 HydrophobicContact CE1-CE2 3.99Å; F547-F600 HydrophobicContact CE1-CZ 4.13Å; F547-F600 HydrophobicContact CE2-CE2 4.44Å; F547-F600 AromaticContact CE2-CZ 3.76Å; F547-F600 HydrophobicContact CE2-CZ 3.76Å; F547-F600 AromaticContact CZ-CE2 3.93Å; F547-F600 HydrophobicContact CZ-CE2 3.93Å; F547-F600 AromaticContact CZ-CZ 3.61Å; F547-F600 HydrophobicContact CZ-CZ 3.61Å
548	V	88.8	Confident	87	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-62.4	-37.9	176.4	172.8	0	0	0	0	111.1	V544 S545 S550 L551 C554 Q557 A558 F561 F571 I593	V544-V548 WeakPolarHBondContact O-CG2 3.45Å; V544-V548 PolarHBondContact O-N 2.65Å; S545-V548 PolarHBondContact O-N 3.06Å; S545-V548 VanDerWaalsContact O-N 3.07Å; V548-S550 VanDerWaalsContact C-N 3.26Å; V548-S550 PolarHBondContact O-N 2.9Å; V548-L551 WeakPolarHBondContact O-CB 3.4Å; V548-L551 PolarHBondContact O-N 2.91Å; V548-C554 HydrophobicContact CG1-CB 4.3Å; V548-C554 WeakPolarHBondContact O-CB 3.29Å; V548-Q557 HydrophobicContact CG1-CB 4.25Å; V548-A558 HydrophobicContact CB-CB 4.5Å; V548-A558 HydrophobicContact CG1-CB 4.4Å; V548-F561 HydrophobicContact CG1-CD2 4.17Å; V548-F561 HydrophobicContact CG1-CE2 4.37Å; V548-F561 HydrophobicContact CG2-CD1 4.3Å; V548-F561 HydrophobicContact CG2-CD2 4.18Å; V548-F561 HydrophobicContact CG2-CE1 4.46Å; V548-F561 HydrophobicContact CG2-CE2 4.33Å; V548-F561 HydrophobicContact CG2-CG 4.17Å; V548-F561 HydrophobicContact CG2-CZ 4.49Å; V548-F571 HydrophobicContact CG2-CE2 3.99Å; V548-I593 HydrophobicContact CG1-CD1 3.95Å; V548-I593 HydrophobicContact CG1-CG1 4.36Å
549	E	87.6	Confident	86.9	Confident	88 Å²	88	50.7 Å²	50.7	41%	0.411	28%	0.278	S	S	.	.	H	α-helix	trans	-63.5	-32.6	175.5	-150.2	169.6	145.7	0	0	111.8	S545 F547 L551 A558 R562	S545-E549 WeakPolarHBondContact O-CB 3.48Å; S545-E549 PolarHBondContact O-N 3.25Å; F547-E549 VanDerWaalsContact C-N 3.29Å; F547-E549 PolarHBondContact O-N 2.83Å; E549-L551 VanDerWaalsContact C-N 3.3Å; E549-L551 PolarHBondContact O-N 2.9Å; E549-A558 HydrophobicContact CB-CB 3.53Å; E549-A558 HydrophobicContact CG-CB 3.8Å; E549-R562 IonicContact OE2-CZ 2.73Å; E549-R562 IonicContact OE2-NH2 3.8Å; E549-R562 PolarHBondContact OE2-NH2 2.88Å
550	S	83.8	Confident	86.7	Confident	81 Å²	81	52 Å²	52	57%	0.566	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-11.2	176.6	82.1	0	0	0	0	115	D546 F547 V548	D546-S550 PolarHBondContact O-N 2.6Å; F547-S550 WeakPolarHBondContact O-CB 3.5Å; F547-S550 PolarHBondContact O-N 3.35Å; F547-S550 VanDerWaalsContact O-N 3.14Å; F547-S550 PolarHBondContact O-OG 2.85Å; V548-S550 VanDerWaalsContact C-N 3.26Å; V548-S550 PolarHBondContact O-N 2.9Å
551	L	83.2	Confident	86.6	Confident	3 Å²	3	48.4 Å²	48.4	2%	0.016	26%	0.263	C	S	.	.	S	Bend	trans	-81.6	123.7	178.2	-66.6	176.1	0	0	0	110.2	L525 V528 F547 V548 E549 G553 C554 I593	L525-L551 HydrophobicContact CD2-CD2 3.9Å; V528-L551 HydrophobicContact CG2-CD2 4Å; F547-L551 HydrophobicContact CE1-CD1 4.04Å; F547-L551 HydrophobicContact CE1-CD2 4.46Å; F547-L551 HydrophobicContact CE1-CG 4.37Å; F547-L551 HydrophobicContact CZ-CD1 4.46Å; F547-L551 HydrophobicContact CZ-CD2 4.08Å; F547-L551 HydrophobicContact CZ-CG 4.43Å; F547-L551 PolarHBondContact O-N 3.19Å; V548-L551 WeakPolarHBondContact O-CB 3.4Å; V548-L551 PolarHBondContact O-N 2.91Å; E549-L551 VanDerWaalsContact C-N 3.3Å; E549-L551 PolarHBondContact O-N 2.9Å; L551-G553 PolarHBondContact O-N 3.23Å; L551-C554 HydrophobicContact CB-CB 3.91Å; L551-C554 WeakPolarHBondContact O-CB 3.41Å; L551-C554 PolarHBondContact O-N 2.84Å; L551-I593 HydrophobicContact CD1-CG1 3.89Å
552	P	76.4	Confident	86.5	Confident	80 Å²	80	49.7 Å²	49.7	52%	0.519	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	122.5	-173.6	-26.6	33.6	0	0	0	113	K592	P552-K592 PolarHBondContact O-NZ 3.31Å
553	G	78.3	Confident	86.4	Confident	41 Å²	41	50.7 Å²	50.7	42%	0.423	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	26.1	-178.3	0	0	0	0	0	114.3	L551 E555	L551-G553 PolarHBondContact O-N 3.23Å; G553-E555 WeakPolarHBondContact CA-OE2 3.23Å; G553-E555 PolarHBondContact N-OE1 2.7Å; G553-E555 PolarHBondContact N-OE2 2.83Å
554	C	83.6	Confident	86.4	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.007	28%	0.277	C	S	.	.			trans	-125.3	9.9	173.9	-52.1	0	0	0	0	112.6	V548 L551 D556 Q557 A558	V548-C554 HydrophobicContact CG1-CB 4.3Å; V548-C554 WeakPolarHBondContact O-CB 3.29Å; L551-C554 HydrophobicContact CB-CB 3.91Å; L551-C554 WeakPolarHBondContact O-CB 3.41Å; L551-C554 PolarHBondContact O-N 2.84Å; C554-D556 PolarHBondContact O-N 2.75Å; C554-Q557 WeakPolarHBondContact O-CA 3.42Å; C554-Q557 WeakPolarHBondContact O-CB 3.47Å; C554-Q557 PolarHBondContact O-N 2.93Å; C554-A558 PolarHBondContact O-N 3.16Å
555	E	85.4	Confident	86.3	Confident	97 Å²	97	59 Å²	59	45%	0.453	31%	0.31	S	S	.	.	H	α-helix	trans	-56.1	-51.2	-173.9	-55.8	78.6	-175.5	0	0	110.8	G553 Q557 A558	G553-E555 WeakPolarHBondContact CA-OE2 3.23Å; G553-E555 PolarHBondContact N-OE1 2.7Å; G553-E555 PolarHBondContact N-OE2 2.83Å; E555-Q557 PolarHBondContact O-N 3.17Å; E555-A558 WeakPolarHBondContact O-CB 3.38Å; E555-A558 PolarHBondContact O-N 2.98Å
556	D	84.6	Confident	86.3	Confident	142 Å²	142	60 Å²	60	76%	0.759	32%	0.315	S	S	*	.	H	α-helix	trans	-60.5	-19.1	176.3	-64.1	-25.9	0	0	0	113.7	C554	C554-D556 PolarHBondContact O-N 2.75Å
557	Q	88.8	Confident	86.4	Confident	36 Å²	36	59.2 Å²	59.2	17%	0.168	31%	0.311	C	S	.	.	H	α-helix	trans	-90.2	-19.2	-175.4	-48.1	-55.6	-98.1	0	0	112	V548 C554 E555 Q559 Q560 F561 I585 P589	V548-Q557 HydrophobicContact CG1-CB 4.25Å; C554-Q557 WeakPolarHBondContact O-CA 3.42Å; C554-Q557 WeakPolarHBondContact O-CB 3.47Å; C554-Q557 PolarHBondContact O-N 2.93Å; E555-Q557 PolarHBondContact O-N 3.17Å; Q557-Q559 VanDerWaalsContact C-N 3.29Å; Q557-Q559 PolarHBondContact O-N 3.47Å; Q557-Q560 PolarHBondContact O-N 3.28Å; Q557-Q560 VanDerWaalsContact O-N 3.1Å; Q557-F561 WeakPolarHBondContact O-CD2 3.39Å; Q557-F561 PolarHBondContact O-N 2.78Å; Q557-I585 HydrophobicContact CB-CD1 4.22Å; Q557-I585 HydrophobicContact CG-CG2 4.33Å; Q557-P589 HydrophobicContact CG-CB 4.07Å
558	A	87.8	Confident	86.3	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-59	-39.5	179.3	0	0	0	0	0	112.5	S545 V548 E549 C554 E555 Q560 F561 R562	S545-A558 WeakPolarHBondContact O-CB 3.49Å; S545-A558 VanDerWaalsContact OG-C 3.29Å; S545-A558 PolarHBondContact OG-O 3.45Å; V548-A558 HydrophobicContact CB-CB 4.5Å; V548-A558 HydrophobicContact CG1-CB 4.4Å; E549-A558 HydrophobicContact CB-CB 3.53Å; E549-A558 HydrophobicContact CG-CB 3.8Å; C554-A558 PolarHBondContact O-N 3.16Å; E555-A558 WeakPolarHBondContact O-CB 3.38Å; E555-A558 PolarHBondContact O-N 2.98Å; A558-Q560 VanDerWaalsContact C-N 3.27Å; A558-Q560 PolarHBondContact O-N 2.95Å; A558-F561 PolarHBondContact O-N 2.8Å; A558-R562 PolarHBondContact O-N 2.9Å
559	Q	84.6	Confident	86.1	Confident	94 Å²	94	66.5 Å²	66.5	44%	0.439	34%	0.338	S	S	.	.	H	α-helix	trans	-60	-38.5	176.6	-173.1	57.4	37.6	0	0	112	Q557 F561 R562 D563	Q557-Q559 VanDerWaalsContact C-N 3.29Å; Q557-Q559 PolarHBondContact O-N 3.47Å; Q559-F561 VanDerWaalsContact C-N 3.34Å; Q559-F561 PolarHBondContact O-N 3.03Å; Q559-R562 WeakPolarHBondContact O-CA 3.3Å; Q559-R562 VanDerWaalsContact O-CB 3.22Å; Q559-R562 WeakPolarHBondContact O-CB 3.2Å; Q559-R562 PolarHBondContact O-N 3.42Å; Q559-D563 PolarHBondContact NE2-OD1 3.08Å; Q559-D563 VanDerWaalsContact O-CG 3.29Å; Q559-D563 PolarHBondContact O-N 3.35Å
560	Q	88	Confident	86.1	Confident	54 Å²	54	64.1 Å²	64.1	25%	0.252	33%	0.333	S	S	.	.	H	α-helix	trans	-69.4	-32.2	-179	-164	169.7	11	0	0	112.8	Q557 A558 R562 D563 E564 M583	Q557-Q560 PolarHBondContact O-N 3.28Å; Q557-Q560 VanDerWaalsContact O-N 3.1Å; A558-Q560 VanDerWaalsContact C-N 3.27Å; A558-Q560 PolarHBondContact O-N 2.95Å; Q560-R562 VanDerWaalsContact C-N 3.3Å; Q560-D563 PolarHBondContact O-N 3.26Å; Q560-E564 HydrophobicContact CG-CG 4.4Å; Q560-E564 WeakPolarHBondContact O-CB 3.4Å; Q560-E564 WeakPolarHBondContact O-CG 3.5Å; Q560-E564 PolarHBondContact O-N 3.34Å; Q560-M583 VanDerWaalsContact CD-O 3.25Å; Q560-M583 PolarHBondContact NE2-O 2.76Å; Q560-M583 PolarHBondContact OE1-O 3.13Å
561	F	90.8	Very high	86.5	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-68.8	-28.6	170.5	-80.6	-102.9	0	0	0	112.6	V544 V548 Q557 A558 Q559 Q565 I566 F571 L574 M583 I585 I593	V544-F561 HydrophobicContact CG1-CD1 3.9Å; V548-F561 HydrophobicContact CG1-CD2 4.17Å; V548-F561 HydrophobicContact CG1-CE2 4.37Å; V548-F561 HydrophobicContact CG2-CD1 4.3Å; V548-F561 HydrophobicContact CG2-CD2 4.18Å; V548-F561 HydrophobicContact CG2-CE1 4.46Å; V548-F561 HydrophobicContact CG2-CE2 4.33Å; V548-F561 HydrophobicContact CG2-CG 4.17Å; V548-F561 HydrophobicContact CG2-CZ 4.49Å; Q557-F561 WeakPolarHBondContact O-CD2 3.39Å; Q557-F561 PolarHBondContact O-N 2.78Å; A558-F561 PolarHBondContact O-N 2.8Å; Q559-F561 VanDerWaalsContact C-N 3.34Å; Q559-F561 PolarHBondContact O-N 3.03Å; F561-Q565 PolarHBondContact O-N 3.02Å; F561-I566 HydrophobicContact CD1-CB 3.8Å; F561-I566 HydrophobicContact CD1-CG1 3.93Å; F561-I566 HydrophobicContact CD1-CG2 3.83Å; F561-I566 HydrophobicContact CE1-CG1 4.49Å; F561-I566 HydrophobicContact CE1-CG2 4.18Å; F561-I566 PolarHBondContact O-N 2.93Å; F561-F571 HydrophobicContact CD1-CD2 4.06Å; F561-F571 HydrophobicContact CD1-CE2 4.28Å; F561-F571 AromaticContact CE1-CD2 3.7Å; F561-F571 HydrophobicContact CE1-CD2 3.7Å; F561-F571 AromaticContact CE1-CE2 3.77Å; F561-F571 HydrophobicContact CE1-CE2 3.77Å; F561-F571 HydrophobicContact CZ-CE2 4.44Å; F561-L574 HydrophobicContact CE1-CD1 3.63Å; F561-L574 HydrophobicContact CZ-CD1 4.21Å; F561-M583 HydrophobicContact CD1-CE 3.92Å; F561-M583 HydrophobicContact CD2-CE 3.62Å; F561-M583 HydrophobicContact CE1-CE 3.84Å; F561-M583 HydrophobicContact CE1-SD 4.02Å; F561-M583 HydrophobicContact CE2-CE 3.55Å; F561-M583 HydrophobicContact CE2-SD 4.07Å; F561-M583 HydrophobicContact CG-CE 3.81Å; F561-M583 HydrophobicContact CZ-CE 3.64Å; F561-M583 HydrophobicContact CZ-SD 3.68Å; F561-I585 HydrophobicContact CD2-CD1 4.3Å; F561-I585 HydrophobicContact CE2-CD1 3.54Å; F561-I585 HydrophobicContact CZ-CD1 4.38Å; F561-I593 HydrophobicContact CE1-CG2 4.46Å; F561-I593 HydrophobicContact CE2-CD1 3.87Å; F561-I593 HydrophobicContact CZ-CD1 4.17Å; F561-I593 HydrophobicContact CZ-CG2 3.92Å
562	R	89.1	Confident	86.7	Confident	66 Å²	66	60.7 Å²	60.7	25%	0.249	31%	0.309	C	S	.	.	H	α-helix	trans	-68.3	-50.5	170.4	-100.7	177.2	-71.9	-130.9	-9.8	111.3	S545 E549 A558 Q559 Q560 Q565	S545-R562 WeakPolarHBondContact OG-CG 3.43Å; S545-R562 PolarHBondContact OG-NE 3.32Å; S545-R562 PolarHBondContact OG-NH2 2.88Å; E549-R562 IonicContact OE2-CZ 2.73Å; E549-R562 IonicContact OE2-NH2 3.8Å; E549-R562 PolarHBondContact OE2-NH2 2.88Å; A558-R562 PolarHBondContact O-N 2.9Å; Q559-R562 WeakPolarHBondContact O-CA 3.3Å; Q559-R562 VanDerWaalsContact O-CB 3.22Å; Q559-R562 WeakPolarHBondContact O-CB 3.2Å; Q559-R562 PolarHBondContact O-N 3.42Å; Q560-R562 VanDerWaalsContact C-N 3.3Å; R562-Q565 PolarHBondContact O-N 3.27Å; R562-Q565 VanDerWaalsContact O-N 3.11Å
563	D	86.9	Confident	87.1	Confident	103 Å²	103	63.3 Å²	63.3	55%	0.551	32%	0.317	S	S	*	.	H	α-helix	trans	-65.2	-41.2	-175.2	-63.2	-20.3	0	0	0	112.1	Q559 Q560 Q565	Q559-D563 PolarHBondContact NE2-OD1 3.08Å; Q559-D563 VanDerWaalsContact O-CG 3.29Å; Q559-D563 PolarHBondContact O-N 3.35Å; Q560-D563 PolarHBondContact O-N 3.26Å; D563-Q565 PolarHBondContact O-N 2.99Å
564	E	88.5	Confident	87.5	Confident	113 Å²	113	62.5 Å²	62.5	53%	0.528	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	4.1	175.5	-62.2	-66	159.7	0	0	113.7	Q560 I566 M583	Q560-E564 HydrophobicContact CG-CG 4.4Å; Q560-E564 WeakPolarHBondContact O-CB 3.4Å; Q560-E564 WeakPolarHBondContact O-CG 3.5Å; Q560-E564 PolarHBondContact O-N 3.34Å; E564-I566 VanDerWaalsContact C-N 3.31Å; E564-I566 HydrophobicContact CB-CD1 4.02Å; E564-I566 HydrophobicContact CB-CG1 3.97Å; E564-I566 PolarHBondContact O-N 3.05Å; E564-M583 HydrophobicContact CB-CE 4.47Å; E564-M583 HydrophobicContact CG-CE 4.41Å
565	Q	88.6	Confident	87.5	Confident	151 Å²	151	65 Å²	65	71%	0.706	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	39.8	178.3	-55.9	-173.6	27.2	0	0	114.8	V541 F561 R562 D563 D567	V541-Q565 HydrophobicContact CG2-CB 4.4Å; F561-Q565 PolarHBondContact O-N 3.02Å; R562-Q565 PolarHBondContact O-N 3.27Å; R562-Q565 VanDerWaalsContact O-N 3.11Å; D563-Q565 PolarHBondContact O-N 2.99Å; Q565-D567 PolarHBondContact O-N 2.99Å; Q565-D567 VanDerWaalsContact O-N 3.07Å
566	I	91	Very high	87.3	Confident	21 Å²	21	62 Å²	62	11%	0.108	31%	0.305	C	S	.	.			trans	-74.1	103	-177.8	-53.6	-58.5	0	0	0	110.2	V544 F561 E564 A570 F571 L574 M583	V544-I566 WeakPolarHBondContact CB-O 3.33Å; V544-I566 HydrophobicContact CG1-CG2 4.29Å; F561-I566 HydrophobicContact CD1-CB 3.8Å; F561-I566 HydrophobicContact CD1-CG1 3.93Å; F561-I566 HydrophobicContact CD1-CG2 3.83Å; F561-I566 HydrophobicContact CE1-CG1 4.49Å; F561-I566 HydrophobicContact CE1-CG2 4.18Å; F561-I566 PolarHBondContact O-N 2.93Å; E564-I566 VanDerWaalsContact C-N 3.31Å; E564-I566 HydrophobicContact CB-CD1 4.02Å; E564-I566 HydrophobicContact CB-CG1 3.97Å; E564-I566 PolarHBondContact O-N 3.05Å; I566-A570 HydrophobicContact CG2-CB 4.09Å; I566-F571 HydrophobicContact CG2-CB 3.98Å; I566-F571 HydrophobicContact CG2-CD2 4.33Å; I566-L574 HydrophobicContact CG2-CD1 4.07Å; I566-M583 HydrophobicContact CG1-CE 4.01Å
567	D	89.4	Confident	87	Confident	61 Å²	61	62.8 Å²	62.8	33%	0.326	30%	0.297	S	S	.	.			trans	-78.9	172.9	171.6	84.1	0.9	0	0	0	112.4	V541 Q565 R569 A570 F571	V541-D567 HydrophobicContact CG2-CB 4.2Å; Q565-D567 PolarHBondContact O-N 2.99Å; Q565-D567 VanDerWaalsContact O-N 3.07Å; D567-R569 PolarHBondContact O-N 3.28Å; D567-R569 WeakPolarHBondContact OD1-CA 3.3Å; D567-R569 WeakPolarHBondContact OD1-CB 3.37Å; D567-R569 PolarHBondContact OD1-N 2.72Å; D567-A570 PolarHBondContact O-N 2.67Å; D567-A570 PolarHBondContact OD1-N 2.86Å; D567-F571 VanDerWaalsContact O-CB 3.26Å; D567-F571 WeakPolarHBondContact O-CB 3.45Å; D567-F571 PolarHBondContact O-N 3.39Å
568	G	87.6	Confident	86.7	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-61.4	-24.5	-178.3	0	0	0	0	0	115.3	V536 W539 L572	V536-G568 CarbonylContact O-C 3.59Å; V536-G568 WeakPolarHBondContact O-CA 3.27Å; W539-G568 PolarHBondContact O-N 2.92Å; G568-L572 WeakPolarHBondContact O-CG 3.28Å; G568-L572 PolarHBondContact O-N 2.82Å
569	R	84.5	Confident	86.6	Confident	165 Å²	165	62.4 Å²	62.4	62%	0.623	30%	0.296	S	S	*	.	H	α-helix	trans	-79.5	-46	177.7	-55.2	-179.1	68.4	-178.9	1.5	110.2	R537 D567 L573	R537-R569 HydrophobicContact CG-CG 4.03Å; R537-R569 WeakPolarHBondContact O-CG 3.38Å; D567-R569 PolarHBondContact O-N 3.28Å; D567-R569 WeakPolarHBondContact OD1-CA 3.3Å; D567-R569 WeakPolarHBondContact OD1-CB 3.37Å; D567-R569 PolarHBondContact OD1-N 2.72Å; R569-L573 WeakPolarHBondContact O-CG 3.31Å; R569-L573 PolarHBondContact O-N 2.91Å
570	A	87.4	Confident	86.3	Confident	37 Å²	37	60.1 Å²	60.1	31%	0.306	29%	0.289	S	S	.	.	H	α-helix	trans	-61.7	-44.6	173.4	0	0	0	0	0	110.9	I566 D567 L572 L573 L574	I566-A570 HydrophobicContact CG2-CB 4.09Å; D567-A570 PolarHBondContact O-N 2.67Å; D567-A570 PolarHBondContact OD1-N 2.86Å; A570-L572 VanDerWaalsContact C-N 3.34Å; A570-L572 PolarHBondContact O-N 3.08Å; A570-L573 WeakPolarHBondContact O-CA 3.29Å; A570-L573 PolarHBondContact O-N 3.31Å; A570-L574 PolarHBondContact O-N 2.78Å
571	F	91.1	Very high	85.5	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-54.5	-46.9	178.5	-173.3	-103.2	0	0	0	112.3	V536 V544 F547 V548 F561 I566 D567 L573 L574 I593 I597 F600	V536-F571 HydrophobicContact CG1-CD1 4.2Å; V544-F571 HydrophobicContact CG1-CB 4.1Å; V544-F571 HydrophobicContact CG1-CD2 3.42Å; V544-F571 VanDerWaalsContact CG1-CD2 3.42Å; V544-F571 HydrophobicContact CG1-CE2 4.01Å; V544-F571 HydrophobicContact CG1-CG 3.87Å; V544-F571 HydrophobicContact CG2-CB 4.14Å; V544-F571 HydrophobicContact CG2-CG 4.43Å; F547-F571 HydrophobicContact CD1-CE1 4.37Å; F547-F571 HydrophobicContact CD1-CZ 4.02Å; F547-F571 HydrophobicContact CE1-CE1 4.3Å; F547-F571 AromaticContact CE1-CZ 3.99Å; F547-F571 HydrophobicContact CE1-CZ 3.99Å; V548-F571 HydrophobicContact CG2-CE2 3.99Å; F561-F571 HydrophobicContact CD1-CD2 4.06Å; F561-F571 HydrophobicContact CD1-CE2 4.28Å; F561-F571 AromaticContact CE1-CD2 3.7Å; F561-F571 HydrophobicContact CE1-CD2 3.7Å; F561-F571 AromaticContact CE1-CE2 3.77Å; F561-F571 HydrophobicContact CE1-CE2 3.77Å; F561-F571 HydrophobicContact CZ-CE2 4.44Å; I566-F571 HydrophobicContact CG2-CB 3.98Å; I566-F571 HydrophobicContact CG2-CD2 4.33Å; D567-F571 VanDerWaalsContact O-CB 3.26Å; D567-F571 WeakPolarHBondContact O-CB 3.45Å; D567-F571 PolarHBondContact O-N 3.39Å; F571-L573 PolarHBondContact O-N 2.78Å; F571-L574 HydrophobicContact CD2-CD1 4.42Å; F571-L574 PolarHBondContact O-N 3.33Å; F571-I593 HydrophobicContact CE2-CG2 3.66Å; F571-I593 HydrophobicContact CZ-CG2 3.87Å; F571-I597 HydrophobicContact CD1-CD1 4.4Å; F571-I597 HydrophobicContact CD1-CG1 3.8Å; F571-I597 HydrophobicContact CD2-CD1 4.45Å; F571-I597 HydrophobicContact CE1-CD1 4.14Å; F571-I597 HydrophobicContact CE1-CG1 3.39Å; F571-I597 HydrophobicContact CE2-CD1 4.21Å; F571-I597 HydrophobicContact CE2-CG1 4.33Å; F571-I597 HydrophobicContact CG-CG1 4.42Å; F571-I597 HydrophobicContact CZ-CD1 4.04Å; F571-I597 HydrophobicContact CZ-CG1 3.69Å; F571-I597 WeakPolarHBondContact O-CD1 3.48Å; F571-I597 WeakPolarHBondContact O-CG1 3.42Å; F571-F600 HydrophobicContact CE1-CD2 4.26Å; F571-F600 AromaticContact CE1-CE2 3.98Å; F571-F600 HydrophobicContact CE1-CE2 3.98Å
572	L	87.9	Confident	84.9	Confident	12 Å²	12	72.5 Å²	72.5	6%	0.063	34%	0.341	C	S	.	.	H	α-helix	trans	-67.2	-19	177	-70.5	172.2	0	0	0	113.5	A533 V536 R537 G568 A570 I597 F600 K601	A533-L572 HydrophobicContact CB-CD1 4.1Å; A533-L572 HydrophobicContact CB-CD2 4.21Å; V536-L572 HydrophobicContact CB-CD1 4.26Å; V536-L572 HydrophobicContact CB-CD2 4.42Å; V536-L572 HydrophobicContact CG1-CD1 4.12Å; V536-L572 HydrophobicContact CG1-CD2 3.91Å; V536-L572 HydrophobicContact CG1-CG 3.88Å; R537-L572 HydrophobicContact CB-CD1 4.03Å; G568-L572 WeakPolarHBondContact O-CG 3.28Å; G568-L572 PolarHBondContact O-N 2.82Å; A570-L572 VanDerWaalsContact C-N 3.34Å; A570-L572 PolarHBondContact O-N 3.08Å; L572-I597 HydrophobicContact CD2-CG2 4.49Å; L572-F600 HydrophobicContact CD2-CB 3.87Å; L572-F600 HydrophobicContact CD2-CD2 4.24Å; L572-K601 WeakPolarHBondContact O-CE 3.11Å; L572-K601 PolarHBondContact O-NZ 3.07Å
573	L	85.6	Confident	84.4	Confident	135 Å²	135	69.8 Å²	69.8	71%	0.707	33%	0.331	S	S	*	.	H	α-helix	trans	-91	-16.5	178.9	-67.2	173.2	0	0	0	113.7	R569 A570 F571 T575	R569-L573 WeakPolarHBondContact O-CG 3.31Å; R569-L573 PolarHBondContact O-N 2.91Å; A570-L573 WeakPolarHBondContact O-CA 3.29Å; A570-L573 PolarHBondContact O-N 3.31Å; F571-L573 PolarHBondContact O-N 2.78Å; L573-T575 PolarHBondContact O-N 3.33Å
574	L	86.1	Confident	84.2	Confident	24 Å²	24	69.2 Å²	69.2	13%	0.126	34%	0.336	C	S	.	.			trans	-61.2	129.7	-178.7	-70.5	173.7	0	0	0	112.4	F561 I566 A570 F571 D578 I579 M583 Y594 I597	F561-L574 HydrophobicContact CE1-CD1 3.63Å; F561-L574 HydrophobicContact CZ-CD1 4.21Å; I566-L574 HydrophobicContact CG2-CD1 4.07Å; A570-L574 PolarHBondContact O-N 2.78Å; F571-L574 HydrophobicContact CD2-CD1 4.42Å; F571-L574 PolarHBondContact O-N 3.33Å; L574-D578 HydrophobicContact CD2-CB 4.17Å; L574-I579 HydrophobicContact CB-CD1 4.23Å; L574-I579 HydrophobicContact CB-CG1 4.09Å; L574-I579 HydrophobicContact CD1-CG1 4.21Å; L574-M583 HydrophobicContact CD1-SD 4.13Å; L574-Y594 WeakPolarHBondContact O-CE2 3.35Å; L574-I597 HydrophobicContact CB-CD1 4.09Å
575	T	83	Confident	83.9	Confident	54 Å²	54	64 Å²	64	33%	0.331	31%	0.311	S	S	.	.			trans	-90.1	160.4	167	76.8	0	0	0	0	110.9	L573 R577 D578 I579	L573-T575 PolarHBondContact O-N 3.33Å; T575-R577 PolarHBondContact O-N 3.44Å; T575-R577 VanDerWaalsContact O-N 3.14Å; T575-R577 PolarHBondContact OG1-N 3.19Å; T575-D578 VanDerWaalsContact CB-OD2 3.26Å; T575-D578 WeakPolarHBondContact CB-OD2 3.31Å; T575-D578 WeakPolarHBondContact CG2-OD2 3.37Å; T575-D578 PolarHBondContact N-OD2 3.37Å; T575-D578 PolarHBondContact O-N 3.12Å; T575-D578 PolarHBondContact OG1-N 3.01Å; T575-D578 PolarHBondContact OG1-OD1 3.39Å; T575-D578 PolarHBondContact OG1-OD2 3.49Å; T575-I579 WeakPolarHBondContact O-CG1 3.35Å; T575-I579 PolarHBondContact O-N 3.2Å
576	Q	82.2	Confident	83.5	Confident	34 Å²	34	64.8 Å²	64.8	16%	0.159	31%	0.312	C	S	.	.	H	α-helix	trans	-51.5	-37.1	171.5	-168	-158.3	24.5	0	0	112.3	D578 V580 Y594	Q576-D578 VanDerWaalsContact C-N 3.33Å; Q576-D578 PolarHBondContact O-N 2.81Å; Q576-V580 WeakPolarHBondContact O-CG2 3.49Å; Q576-V580 PolarHBondContact O-N 3.07Å; Q576-Y594 HydrophobicContact CB-CD1 3.78Å; Q576-Y594 HydrophobicContact CB-CD2 4.31Å; Q576-Y594 HydrophobicContact CB-CE1 4.12Å; Q576-Y594 HydrophobicContact CB-CG 3.88Å; Q576-Y594 HydrophobicContact CG-CD1 4.4Å; Q576-Y594 VanDerWaalsContact N-CD2 3.34Å
577	R	78.8	Confident	82.7	Confident	159 Å²	159	68.1 Å²	68.1	60%	0.6	33%	0.33	S	S	*	.	H	α-helix	trans	-64.9	-38.9	-180	-171.8	-175.2	70.4	170.4	1.6	111.5	T575 R581	T575-R577 PolarHBondContact O-N 3.44Å; T575-R577 VanDerWaalsContact O-N 3.14Å; T575-R577 PolarHBondContact OG1-N 3.19Å; R577-R581 HydrophobicContact CG-CG 4.36Å; R577-R581 VanDerWaalsContact O-CB 3.28Å; R577-R581 WeakPolarHBondContact O-CB 3.23Å; R577-R581 PolarHBondContact O-N 3.38Å
578	D	81.9	Confident	82.1	Confident	28 Å²	28	67.2 Å²	67.2	15%	0.15	33%	0.334	C	S	.	.	H	α-helix	trans	-71.7	-43.8	-176.9	-49.5	-39	0	0	0	110	L574 T575 Q576 V580 I582 M583	L574-D578 HydrophobicContact CD2-CB 4.17Å; T575-D578 VanDerWaalsContact CB-OD2 3.26Å; T575-D578 WeakPolarHBondContact CB-OD2 3.31Å; T575-D578 WeakPolarHBondContact CG2-OD2 3.37Å; T575-D578 PolarHBondContact N-OD2 3.37Å; T575-D578 PolarHBondContact O-N 3.12Å; T575-D578 PolarHBondContact OG1-N 3.01Å; T575-D578 PolarHBondContact OG1-OD1 3.39Å; T575-D578 PolarHBondContact OG1-OD2 3.49Å; Q576-D578 VanDerWaalsContact C-N 3.33Å; Q576-D578 PolarHBondContact O-N 2.81Å; D578-V580 VanDerWaalsContact C-N 3.35Å; D578-V580 PolarHBondContact O-N 3.32Å; D578-I582 HydrophobicContact CB-CD1 3.96Å; D578-I582 HydrophobicContact CB-CG1 4.47Å; D578-I582 WeakPolarHBondContact O-CA 3.41Å; D578-I582 VanDerWaalsContact O-CB 3.26Å; D578-I582 WeakPolarHBondContact O-CB 3.38Å; D578-I582 PolarHBondContact O-N 3.5Å; D578-M583 PolarHBondContact O-N 3.28Å
579	I	85.9	Confident	81.9	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-60.4	-43.7	175.2	-57	167	0	0	0	110.7	L574 T575 M583 I585 A590 I593 I597	L574-I579 HydrophobicContact CB-CD1 4.23Å; L574-I579 HydrophobicContact CB-CG1 4.09Å; L574-I579 HydrophobicContact CD1-CG1 4.21Å; T575-I579 WeakPolarHBondContact O-CG1 3.35Å; T575-I579 PolarHBondContact O-N 3.2Å; I579-M583 WeakPolarHBondContact O-CB 3.47Å; I579-I585 HydrophobicContact CG2-CB 4.01Å; I579-I585 HydrophobicContact CG2-CD1 4.03Å; I579-I585 HydrophobicContact CG2-CG2 4.17Å; I579-I585 WeakPolarHBondContact O-CB 3.47Å; I579-I585 PolarHBondContact O-N 3Å; I579-I585 VanDerWaalsContact O-N 3.12Å; I579-A590 HydrophobicContact CB-CB 4.2Å; I579-A590 HydrophobicContact CG2-CB 3.55Å; I579-I593 HydrophobicContact CD1-CB 4.4Å; I579-I593 HydrophobicContact CD1-CG2 4.01Å; I579-I597 HydrophobicContact CD1-CD1 4.22Å
580	V	77.6	Confident	81.8	Confident	46 Å²	46	60.6 Å²	60.6	28%	0.279	31%	0.313	S	S	.	.	H	α-helix	trans	-76.7	-40.5	-178.5	175.5	0	0	0	0	113.6	Q576 D578 S584 I585 L587 A590	Q576-V580 WeakPolarHBondContact O-CG2 3.49Å; Q576-V580 PolarHBondContact O-N 3.07Å; D578-V580 VanDerWaalsContact C-N 3.35Å; D578-V580 PolarHBondContact O-N 3.32Å; V580-S584 VanDerWaalsContact O-CA 3.32Å; V580-S584 WeakPolarHBondContact O-CA 3.45Å; V580-I585 WeakPolarHBondContact CA-O 3.49Å; V580-L587 HydrophobicContact CG2-CD1 3.98Å; V580-A590 HydrophobicContact CG2-CB 3.41Å; V580-A590 VanDerWaalsContact CG2-CB 3.41Å
581	R	72.5	Confident	81.4	Confident	190 Å²	190	60.2 Å²	60.2	72%	0.717	31%	0.305	S	S	*	.	H	α-helix	trans	-101.4	-34.1	-170.3	-63.5	-170.7	179.9	-178.1	0.3	114.7	R577	R577-R581 HydrophobicContact CG-CG 4.36Å; R577-R581 VanDerWaalsContact O-CB 3.28Å; R577-R581 WeakPolarHBondContact O-CB 3.23Å; R577-R581 PolarHBondContact O-N 3.38Å
582	I	76.6	Confident	80.9	Confident	124 Å²	124	63.9 Å²	63.9	64%	0.636	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-53	-178	-53.8	178.7	0	0	0	108	D578 S584	D578-I582 HydrophobicContact CB-CD1 3.96Å; D578-I582 HydrophobicContact CB-CG1 4.47Å; D578-I582 WeakPolarHBondContact O-CA 3.41Å; D578-I582 VanDerWaalsContact O-CB 3.26Å; D578-I582 WeakPolarHBondContact O-CB 3.38Å; D578-I582 PolarHBondContact O-N 3.5Å; I582-S584 PolarHBondContact O-N 3.38Å
583	M	80.1	Confident	80.8	Confident	8 Å²	8	63.3 Å²	63.3	4%	0.039	32%	0.318	C	S	.	.	S	Bend	trans	-77.5	-1.4	173.9	-48.1	-179	75.2	0	0	112.8	Q560 F561 E564 I566 L574 D578 I579 I585	Q560-M583 VanDerWaalsContact CD-O 3.25Å; Q560-M583 PolarHBondContact NE2-O 2.76Å; Q560-M583 PolarHBondContact OE1-O 3.13Å; F561-M583 HydrophobicContact CD1-CE 3.92Å; F561-M583 HydrophobicContact CD2-CE 3.62Å; F561-M583 HydrophobicContact CE1-CE 3.84Å; F561-M583 HydrophobicContact CE1-SD 4.02Å; F561-M583 HydrophobicContact CE2-CE 3.55Å; F561-M583 HydrophobicContact CE2-SD 4.07Å; F561-M583 HydrophobicContact CG-CE 3.81Å; F561-M583 HydrophobicContact CZ-CE 3.64Å; F561-M583 HydrophobicContact CZ-SD 3.68Å; E564-M583 HydrophobicContact CB-CE 4.47Å; E564-M583 HydrophobicContact CG-CE 4.41Å; I566-M583 HydrophobicContact CG1-CE 4.01Å; L574-M583 HydrophobicContact CD1-SD 4.13Å; D578-M583 PolarHBondContact O-N 3.28Å; I579-M583 WeakPolarHBondContact O-CB 3.47Å; M583-I585 HydrophobicContact CB-CD1 4.02Å; M583-I585 HydrophobicContact CB-CG1 4.01Å; M583-I585 HydrophobicContact CE-CD1 4.41Å; M583-I585 WeakPolarHBondContact O-CG1 3.38Å; M583-I585 PolarHBondContact O-N 3.33Å
584	S	81.3	Confident	80.7	Confident	92 Å²	92	59.4 Å²	59.4	64%	0.643	30%	0.295	S	S	*	.			trans	55.5	19.8	178	-58.5	0	0	0	0	115.3	V580 I582	V580-S584 VanDerWaalsContact O-CA 3.32Å; V580-S584 WeakPolarHBondContact O-CA 3.45Å; I582-S584 PolarHBondContact O-N 3.38Å
585	I	83.9	Confident	80.4	Confident	2 Å²	2	59.8 Å²	59.8	1%	0.01	30%	0.297	C	S	.	.			trans	-76.5	137.3	-176.5	-67.6	178.9	0	0	0	109.7	Q557 F561 I579 V580 M583 P589 A590	Q557-I585 HydrophobicContact CB-CD1 4.22Å; Q557-I585 HydrophobicContact CG-CG2 4.33Å; F561-I585 HydrophobicContact CD2-CD1 4.3Å; F561-I585 HydrophobicContact CE2-CD1 3.54Å; F561-I585 HydrophobicContact CZ-CD1 4.38Å; I579-I585 HydrophobicContact CG2-CB 4.01Å; I579-I585 HydrophobicContact CG2-CD1 4.03Å; I579-I585 HydrophobicContact CG2-CG2 4.17Å; I579-I585 WeakPolarHBondContact O-CB 3.47Å; I579-I585 PolarHBondContact O-N 3Å; I579-I585 VanDerWaalsContact O-N 3.12Å; V580-I585 WeakPolarHBondContact CA-O 3.49Å; M583-I585 HydrophobicContact CB-CD1 4.02Å; M583-I585 HydrophobicContact CB-CG1 4.01Å; M583-I585 HydrophobicContact CE-CD1 4.41Å; M583-I585 WeakPolarHBondContact O-CG1 3.38Å; M583-I585 PolarHBondContact O-N 3.33Å; I585-P589 HydrophobicContact CG2-CB 3.91Å; I585-A590 HydrophobicContact CG2-CB 4Å
586	K	80.1	Confident	80.4	Confident	168 Å²	168	57.2 Å²	57.2	73%	0.73	28%	0.281	S	S	*	.			trans	-59.5	143.9	179	-67.7	173.5	-176	166.2	0	110.5	G588 P589 A590	K586-G588 PolarHBondContact O-N 2.87Å; K586-P589 VanDerWaalsContact O-CD 3.25Å; K586-P589 WeakPolarHBondContact O-CD 3.3Å; K586-A590 WeakPolarHBondContact O-CB 3.37Å; K586-A590 PolarHBondContact O-N 3.26Å
587	L	73.1	Confident	80.5	Confident	92 Å²	92	55.6 Å²	55.6	48%	0.482	27%	0.273	S	S	.	.	H	α-helix	trans	-53.1	-35.1	-172.7	-176.2	62.5	0	0	0	114.3	V580 L591	V580-L587 HydrophobicContact CG2-CD1 3.98Å; L587-L591 HydrophobicContact CD1-CD1 4.31Å; L587-L591 HydrophobicContact CD1-CG 4.31Å; L587-L591 HydrophobicContact CG-CD1 4.09Å; L587-L591 WeakPolarHBondContact O-CB 3.28Å; L587-L591 WeakPolarHBondContact O-CG 3.13Å; L587-L591 PolarHBondContact O-N 2.98Å
588	G	77.7	Confident	80.4	Confident	41 Å²	41	49.5 Å²	49.5	42%	0.423	25%	0.253	S	S	.	.	H	α-helix	trans	-62.2	-61.7	179.1	0	0	0	0	0	113.6	K586 A590 L591 K592	K586-G588 PolarHBondContact O-N 2.87Å; G588-A590 VanDerWaalsContact C-N 3.33Å; G588-A590 PolarHBondContact O-N 2.78Å; G588-L591 PolarHBondContact O-N 2.76Å; G588-K592 PolarHBondContact O-N 2.8Å
589	P	82.1	Confident	80	Confident	26 Å²	26	50.1 Å²	50.1	17%	0.169	26%	0.255	C	S	.	.	H	α-helix	trans	-55.9	-43	171	-28.7	35	0	0	0	113.5	Q557 I585 K586 L591 K592 I593	Q557-P589 HydrophobicContact CG-CB 4.07Å; I585-P589 HydrophobicContact CG2-CB 3.91Å; K586-P589 VanDerWaalsContact O-CD 3.25Å; K586-P589 WeakPolarHBondContact O-CD 3.3Å; P589-L591 VanDerWaalsContact C-N 3.3Å; P589-L591 PolarHBondContact O-N 2.68Å; P589-K592 WeakPolarHBondContact O-CB 3.04Å; P589-K592 PolarHBondContact O-N 3.08Å; P589-I593 WeakPolarHBondContact O-CG1 3.49Å; P589-I593 PolarHBondContact O-N 3.41Å; P589-I593 VanDerWaalsContact O-N 3.11Å
590	A	83.8	Confident	79.7	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-58.4	-39.5	-179.3	0	0	0	0	0	113.3	I579 V580 I585 K586 G588 I593 Y594	I579-A590 HydrophobicContact CB-CB 4.2Å; I579-A590 HydrophobicContact CG2-CB 3.55Å; V580-A590 HydrophobicContact CG2-CB 3.41Å; V580-A590 VanDerWaalsContact CG2-CB 3.41Å; I585-A590 HydrophobicContact CG2-CB 4Å; K586-A590 WeakPolarHBondContact O-CB 3.37Å; K586-A590 PolarHBondContact O-N 3.26Å; G588-A590 VanDerWaalsContact C-N 3.33Å; G588-A590 PolarHBondContact O-N 2.78Å; A590-I593 PolarHBondContact O-N 3.05Å; A590-Y594 WeakPolarHBondContact O-CB 3.46Å; A590-Y594 PolarHBondContact O-N 3.16Å
591	L	78.1	Confident	79.5	Confident	29 Å²	29	51.8 Å²	51.8	15%	0.152	26%	0.259	C	S	.	.	H	α-helix	trans	-62.2	-40.6	174.4	-84.3	165.3	0	0	0	112.7	A505 L587 G588 P589 N595	A505-L591 HydrophobicContact CB-CD2 3.68Å; L587-L591 HydrophobicContact CD1-CD1 4.31Å; L587-L591 HydrophobicContact CD1-CG 4.31Å; L587-L591 HydrophobicContact CG-CD1 4.09Å; L587-L591 WeakPolarHBondContact O-CB 3.28Å; L587-L591 WeakPolarHBondContact O-CG 3.13Å; L587-L591 PolarHBondContact O-N 2.98Å; G588-L591 PolarHBondContact O-N 2.76Å; P589-L591 VanDerWaalsContact C-N 3.3Å; P589-L591 PolarHBondContact O-N 2.68Å; L591-N595 VanDerWaalsContact O-CB 3.26Å; L591-N595 WeakPolarHBondContact O-CB 3.37Å; L591-N595 PolarHBondContact O-N 3.28Å; L591-N595 PolarHBondContact O-ND2 2.58Å
592	K	81.4	Confident	79.1	Confident	77 Å²	77	45.3 Å²	45.3	34%	0.335	24%	0.236	S	C	.	.	H	α-helix	trans	-66.3	-42.2	179.2	-65.3	172.5	179.2	173.4	0	111.7	P552 G588 P589 S596	P552-K592 PolarHBondContact O-NZ 3.31Å; G588-K592 PolarHBondContact O-N 2.8Å; P589-K592 WeakPolarHBondContact O-CB 3.04Å; P589-K592 PolarHBondContact O-N 3.08Å; K592-S596 PolarHBondContact O-N 3.4Å; K592-S596 VanDerWaalsContact O-N 3.15Å; K592-S596 PolarHBondContact O-OG 2.84Å
593	I	85.1	Confident	78.3	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-66.3	-48.6	177.6	-61.2	165	0	0	0	109.9	V548 L551 F561 F571 I579 P589 A590 N595 S596 I597	V548-I593 HydrophobicContact CG1-CD1 3.95Å; V548-I593 HydrophobicContact CG1-CG1 4.36Å; L551-I593 HydrophobicContact CD1-CG1 3.89Å; F561-I593 HydrophobicContact CE1-CG2 4.46Å; F561-I593 HydrophobicContact CE2-CD1 3.87Å; F561-I593 HydrophobicContact CZ-CD1 4.17Å; F561-I593 HydrophobicContact CZ-CG2 3.92Å; F571-I593 HydrophobicContact CE2-CG2 3.66Å; F571-I593 HydrophobicContact CZ-CG2 3.87Å; I579-I593 HydrophobicContact CD1-CB 4.4Å; I579-I593 HydrophobicContact CD1-CG2 4.01Å; P589-I593 WeakPolarHBondContact O-CG1 3.49Å; P589-I593 PolarHBondContact O-N 3.41Å; P589-I593 VanDerWaalsContact O-N 3.11Å; A590-I593 PolarHBondContact O-N 3.05Å; I593-N595 PolarHBondContact O-N 2.8Å; I593-S596 VanDerWaalsContact O-CB 3.32Å; I593-S596 WeakPolarHBondContact O-CB 3.44Å; I593-S596 PolarHBondContact O-N 2.85Å; I593-S596 VanDerWaalsContact O-N 3.09Å; I593-I597 HydrophobicContact CG2-CD1 4.32Å; I593-I597 PolarHBondContact O-N 3.04Å; I593-I597 VanDerWaalsContact O-N 3.1Å
594	Y	84.4	Confident	77.1	Confident	54 Å²	54	42 Å²	42	21%	0.212	22%	0.223	C	C	.	.	H	α-helix	trans	-63.5	-42.1	179.1	-173	-116	0	0	0	113.1	L574 Q576 A590 S596 I597 L598	L574-Y594 WeakPolarHBondContact O-CE2 3.35Å; Q576-Y594 HydrophobicContact CB-CD1 3.78Å; Q576-Y594 HydrophobicContact CB-CD2 4.31Å; Q576-Y594 HydrophobicContact CB-CE1 4.12Å; Q576-Y594 HydrophobicContact CB-CG 3.88Å; Q576-Y594 HydrophobicContact CG-CD1 4.4Å; Q576-Y594 VanDerWaalsContact N-CD2 3.34Å; A590-Y594 WeakPolarHBondContact O-CB 3.46Å; A590-Y594 PolarHBondContact O-N 3.16Å; Y594-S596 PolarHBondContact O-N 3.08Å; Y594-I597 WeakPolarHBondContact O-CB 3.41Å; Y594-I597 PolarHBondContact O-N 2.91Å; Y594-I597 VanDerWaalsContact O-N 3.13Å; Y594-L598 HydrophobicContact CD1-CD1 4.08Å; Y594-L598 HydrophobicContact CD1-CG 4.44Å; Y594-L598 HydrophobicContact CE1-CD1 3.74Å; Y594-L598 HydrophobicContact CE1-CD2 4.37Å; Y594-L598 HydrophobicContact CE1-CG 4.12Å; Y594-L598 PolarHBondContact O-N 3.27Å
595	N	78.9	Confident	75.7	Confident	31 Å²	31	41.8 Å²	41.8	17%	0.166	22%	0.215	C	C	.	.	H	α-helix	trans	-63	-29.2	174.7	-71.8	-8.3	0	0	0	112.2	L591 I593 M599	L591-N595 VanDerWaalsContact O-CB 3.26Å; L591-N595 WeakPolarHBondContact O-CB 3.37Å; L591-N595 PolarHBondContact O-N 3.28Å; L591-N595 PolarHBondContact O-ND2 2.58Å; I593-N595 PolarHBondContact O-N 2.8Å; N595-M599 WeakPolarHBondContact O-CG 3.33Å; N595-M599 PolarHBondContact O-N 3.23Å; N595-M599 VanDerWaalsContact O-N 3.08Å
596	S	82.5	Confident	74.1	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-69.4	-41.2	173.1	-57.8	0	0	0	0	112.2	K592 I593 Y594 L598 M599 F600	K592-S596 PolarHBondContact O-N 3.4Å; K592-S596 VanDerWaalsContact O-N 3.15Å; K592-S596 PolarHBondContact O-OG 2.84Å; I593-S596 VanDerWaalsContact O-CB 3.32Å; I593-S596 WeakPolarHBondContact O-CB 3.44Å; I593-S596 PolarHBondContact O-N 2.85Å; I593-S596 VanDerWaalsContact O-N 3.09Å; Y594-S596 PolarHBondContact O-N 3.08Å; S596-L598 VanDerWaalsContact C-N 3.32Å; S596-L598 PolarHBondContact O-N 3.18Å; S596-M599 PolarHBondContact O-N 3.31Å; S596-F600 VanDerWaalsContact O-CD2 3.3Å; S596-F600 WeakPolarHBondContact O-CD2 3.35Å; S596-F600 WeakPolarHBondContact O-CG 3.46Å; S596-F600 PolarHBondContact O-N 3.11Å; S596-F600 VanDerWaalsContact O-N 3.11Å
597	I	84.5	Confident	72.6	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60	-42	173	-66.7	158.7	0	0	0	111.2	F571 L572 L574 I579 I593 Y594 F600 K601	F571-I597 HydrophobicContact CD1-CD1 4.4Å; F571-I597 HydrophobicContact CD1-CG1 3.8Å; F571-I597 HydrophobicContact CD2-CD1 4.45Å; F571-I597 HydrophobicContact CE1-CD1 4.14Å; F571-I597 HydrophobicContact CE1-CG1 3.39Å; F571-I597 HydrophobicContact CE2-CD1 4.21Å; F571-I597 HydrophobicContact CE2-CG1 4.33Å; F571-I597 HydrophobicContact CG-CG1 4.42Å; F571-I597 HydrophobicContact CZ-CD1 4.04Å; F571-I597 HydrophobicContact CZ-CG1 3.69Å; F571-I597 WeakPolarHBondContact O-CD1 3.48Å; F571-I597 WeakPolarHBondContact O-CG1 3.42Å; L572-I597 HydrophobicContact CD2-CG2 4.49Å; L574-I597 HydrophobicContact CB-CD1 4.09Å; I579-I597 HydrophobicContact CD1-CD1 4.22Å; I593-I597 HydrophobicContact CG2-CD1 4.32Å; I593-I597 PolarHBondContact O-N 3.04Å; I593-I597 VanDerWaalsContact O-N 3.1Å; Y594-I597 WeakPolarHBondContact O-CB 3.41Å; Y594-I597 PolarHBondContact O-N 2.91Å; Y594-I597 VanDerWaalsContact O-N 3.13Å; I597-F600 PolarHBondContact O-N 3.24Å; I597-K601 PolarHBondContact O-N 3.19Å
598	L	77.4	Confident	71.4	Confident	31 Å²	31	45.9 Å²	45.9	16%	0.162	24%	0.239	C	C	.	.	H	α-helix	trans	-63.7	-39.9	175.7	-67.5	177.5	0	0	0	112.7	Y594 S596 F600 K601 H602	Y594-L598 HydrophobicContact CD1-CD1 4.08Å; Y594-L598 HydrophobicContact CD1-CG 4.44Å; Y594-L598 HydrophobicContact CE1-CD1 3.74Å; Y594-L598 HydrophobicContact CE1-CD2 4.37Å; Y594-L598 HydrophobicContact CE1-CG 4.12Å; Y594-L598 PolarHBondContact O-N 3.27Å; S596-L598 VanDerWaalsContact C-N 3.32Å; S596-L598 PolarHBondContact O-N 3.18Å; L598-F600 VanDerWaalsContact C-N 3.33Å; L598-F600 PolarHBondContact O-N 3.18Å; L598-K601 PolarHBondContact O-N 3.47Å; L598-H602 PolarHBondContact O-N 2.78Å
599	M	73.1	Confident	70	Confident	42 Å²	42	46.4 Å²	46.4	21%	0.207	24%	0.236	C	C	.	.	H	α-helix	trans	-63.3	-37.9	175.5	-75.7	-170.7	-67.1	0	0	112.6	L525 V528 N595 S596 A603	L525-M599 HydrophobicContact CB-CE 4.12Å; L525-M599 HydrophobicContact CD1-CE 3.58Å; V528-M599 HydrophobicContact CB-CE 3.74Å; V528-M599 HydrophobicContact CG1-CE 3.64Å; V528-M599 HydrophobicContact CG2-CE 4.1Å; N595-M599 WeakPolarHBondContact O-CG 3.33Å; N595-M599 PolarHBondContact O-N 3.23Å; N595-M599 VanDerWaalsContact O-N 3.08Å; S596-M599 PolarHBondContact O-N 3.31Å; M599-A603 PolarHBondContact O-N 3.24Å
600	F	78.8	Confident	68.2	Low	1 Å²	1	51.5 Å²	51.5	0%	0.004	26%	0.257	C	S	.	.	H	α-helix	trans	-65.7	-42.6	176.4	-62.5	-38.9	0	0	0	112.1	V528 F531 A533 V536 W539 F547 F571 L572 S596 I597 L598 A603	V528-F600 HydrophobicContact CG1-CD1 4.23Å; V528-F600 HydrophobicContact CG1-CE1 3.44Å; V528-F600 VanDerWaalsContact CG1-CE1 3.44Å; V528-F600 HydrophobicContact CG1-CE2 4.45Å; V528-F600 HydrophobicContact CG1-CZ 3.59Å; F531-F600 HydrophobicContact CB-CD1 4.5Å; F531-F600 HydrophobicContact CB-CE1 3.9Å; F531-F600 WeakPolarHBondContact O-CD1 3.24Å; A533-F600 HydrophobicContact CB-CB 3.98Å; A533-F600 WeakPolarHBondContact CB-O 3.4Å; V536-F600 HydrophobicContact CB-CD2 4.4Å; V536-F600 HydrophobicContact CG1-CD2 4.01Å; V536-F600 HydrophobicContact CG1-CE2 4.19Å; V536-F600 HydrophobicContact CG2-CB 4.43Å; V536-F600 HydrophobicContact CG2-CD1 3.89Å; V536-F600 HydrophobicContact CG2-CD2 3.77Å; V536-F600 HydrophobicContact CG2-CE1 3.97Å; V536-F600 HydrophobicContact CG2-CE2 3.84Å; V536-F600 HydrophobicContact CG2-CG 3.79Å; V536-F600 HydrophobicContact CG2-CZ 3.93Å; W539-F600 HydrophobicContact CH2-CE2 4.18Å; W539-F600 AromaticContact CH2-CZ 3.82Å; W539-F600 HydrophobicContact CH2-CZ 3.82Å; W539-F600 HydrophobicContact CZ3-CE2 4.27Å; W539-F600 HydrophobicContact CZ3-CZ 4.35Å; F547-F600 HydrophobicContact CD2-CZ 4.41Å; F547-F600 AromaticContact CE1-CE2 3.99Å; F547-F600 HydrophobicContact CE1-CE2 3.99Å; F547-F600 HydrophobicContact CE1-CZ 4.13Å; F547-F600 HydrophobicContact CE2-CE2 4.44Å; F547-F600 AromaticContact CE2-CZ 3.76Å; F547-F600 HydrophobicContact CE2-CZ 3.76Å; F547-F600 AromaticContact CZ-CE2 3.93Å; F547-F600 HydrophobicContact CZ-CE2 3.93Å; F547-F600 AromaticContact CZ-CZ 3.61Å; F547-F600 HydrophobicContact CZ-CZ 3.61Å; F571-F600 HydrophobicContact CE1-CD2 4.26Å; F571-F600 AromaticContact CE1-CE2 3.98Å; F571-F600 HydrophobicContact CE1-CE2 3.98Å; L572-F600 HydrophobicContact CD2-CB 3.87Å; L572-F600 HydrophobicContact CD2-CD2 4.24Å; S596-F600 VanDerWaalsContact O-CD2 3.3Å; S596-F600 WeakPolarHBondContact O-CD2 3.35Å; S596-F600 WeakPolarHBondContact O-CG 3.46Å; S596-F600 PolarHBondContact O-N 3.11Å; S596-F600 VanDerWaalsContact O-N 3.11Å; I597-F600 PolarHBondContact O-N 3.24Å; L598-F600 VanDerWaalsContact C-N 3.33Å; L598-F600 PolarHBondContact O-N 3.18Å; F600-A603 PolarHBondContact O-N 3.16Å
601	K	73.2	Confident	66.4	Low	79 Å²	79	53.9 Å²	53.9	34%	0.343	28%	0.277	S	S	.	.	H	α-helix	trans	-65.5	-49.1	178.8	-72.2	179.4	177.4	174.5	0	113	L572 I597 L598 A603 E604	L572-K601 WeakPolarHBondContact O-CE 3.11Å; L572-K601 PolarHBondContact O-NZ 3.07Å; I597-K601 PolarHBondContact O-N 3.19Å; L598-K601 PolarHBondContact O-N 3.47Å; K601-A603 PolarHBondContact O-N 2.98Å; K601-E604 WeakPolarHBondContact O-CB 3.26Å; K601-E604 PolarHBondContact O-N 3Å
602	H	64.9	Low	64.9	Low	54 Å²	54	58.8 Å²	58.8	25%	0.25	30%	0.299	C	S	.	.	H	α-helix	trans	-66.7	-9.8	-179.5	-80.1	-48.6	0	0	0	114.5	L598 D605	L598-H602 PolarHBondContact O-N 2.78Å; H602-D605 IonicContact CE1-OD2 3.9Å; H602-D605 IonicContact CG-OD2 2.74Å; H602-D605 IonicContact ND1-OD2 3.99Å; H602-D605 PolarHBondContact ND1-OD2 2.89Å
603	A	59.6	Low	63.3	Low	28 Å²	28	61.5 Å²	61.5	23%	0.231	31%	0.313	C	S	.	.	H	α-helix	trans	-78.1	-18.3	169.9	0	0	0	0	0	113.3	M599 F600 K601 S607	M599-A603 PolarHBondContact O-N 3.24Å; F600-A603 PolarHBondContact O-N 3.16Å; K601-A603 PolarHBondContact O-N 2.98Å; A603-S607 PolarHBondContact O-OG 2.89Å
604	E	54.1	Low	61.5	Low	36 Å²	36	66.8 Å²	66.8	17%	0.168	34%	0.342	C	S	.	.	H	α-helix	trans	-75.6	-45.2	173.4	-67	178	171.7	0	0	110.7	A533 R537 K601 K606 S607 Q608	A533-E604 HydrophobicContact CB-CG 3.93Å; A533-E604 WeakPolarHBondContact CB-OE1 3.29Å; R537-E604 IonicContact CZ-OE1 3.47Å; R537-E604 IonicContact NH2-OE1 3.69Å; R537-E604 PolarHBondContact NH2-OE1 3.31Å; R537-E604 IonicContact NH2-OE2 3.74Å; R537-E604 PolarHBondContact NH2-OE2 3.11Å; K601-E604 WeakPolarHBondContact O-CB 3.26Å; K601-E604 PolarHBondContact O-N 3Å; E604-K606 VanDerWaalsContact C-N 3.34Å; E604-K606 PolarHBondContact O-N 2.77Å; E604-S607 PolarHBondContact O-N 2.87Å; E604-Q608 PolarHBondContact O-N 2.81Å
605	D	52.8	Low	59.7	Low	87 Å²	87	69.4 Å²	69.4	47%	0.465	36%	0.359	S	S	.	.	H	α-helix	trans	-54	-44.4	-174.9	-59.3	-32.6	0	0	0	113.2	H602 S607 Q608 S609	H602-D605 IonicContact CE1-OD2 3.9Å; H602-D605 IonicContact CG-OD2 2.74Å; H602-D605 IonicContact ND1-OD2 3.99Å; H602-D605 PolarHBondContact ND1-OD2 2.89Å; D605-S607 VanDerWaalsContact C-N 3.32Å; D605-S607 PolarHBondContact O-N 3.32Å; D605-Q608 PolarHBondContact O-N 2.86Å; D605-S609 PolarHBondContact O-N 2.73Å; D605-S609 VanDerWaalsContact O-N 3.15Å; D605-S609 PolarHBondContact O-OG 2.91Å
606	K	51.2	Low	58.3	Low	163 Å²	163	73.9 Å²	73.9	71%	0.709	38%	0.379	S	S	*	.	H	α-helix	trans	-70.3	-25.5	-179.6	-77.6	-171.8	173.9	-175.1	0	113.8	E604 S609 Q610	E604-K606 VanDerWaalsContact C-N 3.34Å; E604-K606 PolarHBondContact O-N 2.77Å; K606-S609 PolarHBondContact O-OG 3.4Å; K606-Q610 WeakPolarHBondContact O-CG 3.25Å
607	S	47.9	Very low	56.7	Low	67 Å²	67	76.5 Å²	76.5	47%	0.469	40%	0.397	S	S	.	.	H	α-helix	trans	-81.4	-32.3	179.4	-61	0	0	0	0	111.6	A603 E604 D605	A603-S607 PolarHBondContact O-OG 2.89Å; E604-S607 PolarHBondContact O-N 2.87Å; D605-S607 VanDerWaalsContact C-N 3.32Å; D605-S607 PolarHBondContact O-N 3.32Å
608	Q	48.2	Very low	55	Low	118 Å²	118	82.4 Å²	82.4	55%	0.551	43%	0.425	S	S	*	.	H	α-helix	trans	-75.7	-44.9	176.7	-67.9	177.9	-1	0	0	111.5	E604 D605 Q610 A611 E612	E604-Q608 PolarHBondContact O-N 2.81Å; D605-Q608 PolarHBondContact O-N 2.86Å; Q608-Q610 VanDerWaalsContact C-N 3.32Å; Q608-Q610 PolarHBondContact O-N 3.08Å; Q608-A611 WeakPolarHBondContact O-CB 3.48Å; Q608-A611 PolarHBondContact O-N 3Å; Q608-E612 PolarHBondContact O-N 3.19Å
609	S	48.1	Very low	53.5	Low	52 Å²	52	83.1 Å²	83.1	36%	0.364	44%	0.435	S	S	.	.	H	α-helix	trans	-60.9	-36.8	-179.2	60.7	0	0	0	0	113.6	D605 K606 A611 E612 E613	D605-S609 PolarHBondContact O-N 2.73Å; D605-S609 VanDerWaalsContact O-N 3.15Å; D605-S609 PolarHBondContact O-OG 2.91Å; K606-S609 PolarHBondContact O-OG 3.4Å; S609-A611 VanDerWaalsContact C-N 3.34Å; S609-E612 PolarHBondContact O-N 3.36Å; S609-E613 PolarHBondContact O-N 3.39Å; S609-E613 VanDerWaalsContact O-N 3.14Å
610	Q	45.2	Very low	52.3	Low	132 Å²	132	87.3 Å²	87.3	62%	0.617	46%	0.455	S	S	*	.	H	α-helix	trans	-72.9	-24	176	-70.2	-172.7	-31.1	0	0	113.7	K606 Q608 N614	K606-Q610 WeakPolarHBondContact O-CG 3.25Å; Q608-Q610 VanDerWaalsContact C-N 3.32Å; Q608-Q610 PolarHBondContact O-N 3.08Å; Q610-N614 PolarHBondContact O-N 3.47Å; Q610-N614 PolarHBondContact O-ND2 2.64Å
611	A	45.2	Very low	50.9	Low	51 Å²	51	94.1 Å²	94.1	42%	0.421	49%	0.486	S	S	.	.	H	α-helix	trans	-79.1	-31.3	174.1	0	0	0	0	0	111.7	Q608 S609 N615	Q608-A611 WeakPolarHBondContact O-CB 3.48Å; Q608-A611 PolarHBondContact O-N 3Å; S609-A611 VanDerWaalsContact C-N 3.34Å; A611-N615 PolarHBondContact O-N 3.02Å; A611-N615 PolarHBondContact O-ND2 3.5Å
612	E	47.5	Very low	49.7	Very low	131 Å²	131	95.5 Å²	95.5	61%	0.612	50%	0.497	S	S	*	.	H	α-helix	trans	-70.7	-46.8	174.5	-69	-179.8	157.1	0	0	111.4	Q608 S609 N614 N615 Q616	Q608-E612 PolarHBondContact O-N 3.19Å; S609-E612 PolarHBondContact O-N 3.36Å; E612-N614 VanDerWaalsContact C-N 3.33Å; E612-N614 PolarHBondContact O-N 2.9Å; E612-N615 PolarHBondContact O-N 2.98Å; E612-N615 VanDerWaalsContact O-N 3.16Å; E612-Q616 WeakPolarHBondContact O-CB 3.46Å; E612-Q616 PolarHBondContact O-N 2.85Å
613	E	47.7	Very low	48.9	Very low	134 Å²	134	97.9 Å²	97.9	63%	0.626	51%	0.512	S	S	*	.	H	α-helix	trans	-60.8	-35.9	176.8	-72.8	-179.9	155.3	0	0	113.5	S609 Q616 S617	S609-E613 PolarHBondContact O-N 3.39Å; S609-E613 VanDerWaalsContact O-N 3.14Å; E613-Q616 PolarHBondContact O-N 2.94Å; E613-S617 PolarHBondContact O-N 3.12Å; E613-S617 VanDerWaalsContact O-N 3.09Å; E613-S617 PolarHBondContact O-OG 3.33Å
614	N	46.5	Very low	48.4	Very low	111 Å²	111	103.1 Å²	103.1	59%	0.594	53%	0.532	S	S	*	.	H	α-helix	trans	-72.6	-32.5	175.7	-83.6	-25.7	0	0	0	113.3	Q610 E612 S617 Q618	Q610-N614 PolarHBondContact O-N 3.47Å; Q610-N614 PolarHBondContact O-ND2 2.64Å; E612-N614 VanDerWaalsContact C-N 3.33Å; E612-N614 PolarHBondContact O-N 2.9Å; N614-S617 WeakPolarHBondContact CA-OG 3.29Å; N614-S617 PolarHBondContact O-OG 3.22Å; N614-Q618 PolarHBondContact O-N 3.46Å
615	N	47.1	Very low	48.1	Very low	110 Å²	110	104.4 Å²	104.4	59%	0.588	55%	0.545	S	S	*	.	H	α-helix	trans	-72.9	-32.4	172.4	-80	-46.1	0	0	0	111.6	A611 E612 A619	A611-N615 PolarHBondContact O-N 3.02Å; A611-N615 PolarHBondContact O-ND2 3.5Å; E612-N615 PolarHBondContact O-N 2.98Å; E612-N615 VanDerWaalsContact O-N 3.16Å; N615-A619 WeakPolarHBondContact O-CB 3.19Å; N615-A619 PolarHBondContact O-N 2.79Å; N615-A619 VanDerWaalsContact O-N 3.08Å
616	Q	48.5	Very low	47.9	Very low	124 Å²	124	106 Å²	106	58%	0.579	55%	0.549	S	S	*	.	H	α-helix	trans	-72.9	-39.1	-178.4	-150.3	150.1	15.6	0	0	111.7	E612 E613 A619 E620	E612-Q616 WeakPolarHBondContact O-CB 3.46Å; E612-Q616 PolarHBondContact O-N 2.85Å; E613-Q616 PolarHBondContact O-N 2.94Å; Q616-A619 PolarHBondContact O-N 3.16Å; Q616-E620 WeakPolarHBondContact O-CG 3.47Å; Q616-E620 PolarHBondContact O-N 2.93Å
617	S	49.9	Very low	47.6	Very low	55 Å²	55	100.7 Å²	100.7	39%	0.385	54%	0.536	S	S	.	.	H	α-helix	trans	-66.1	-39.4	173	43.5	0	0	0	0	113.3	E613 N614 A619 E620 E621	E613-S617 PolarHBondContact O-N 3.12Å; E613-S617 VanDerWaalsContact O-N 3.09Å; E613-S617 PolarHBondContact O-OG 3.33Å; N614-S617 WeakPolarHBondContact CA-OG 3.29Å; N614-S617 PolarHBondContact O-OG 3.22Å; S617-A619 VanDerWaalsContact C-N 3.29Å; S617-A619 PolarHBondContact O-N 2.74Å; S617-E620 PolarHBondContact O-N 3.05Å; S617-E621 PolarHBondContact O-N 3.18Å
618	Q	47.4	Very low	47.5	Very low	124 Å²	124	104.7 Å²	104.7	58%	0.579	55%	0.547	S	S	*	.	H	α-helix	trans	-67.8	-25.5	172	-73.4	-170.1	-19.2	0	0	113.8	N614 N622	N614-Q618 PolarHBondContact O-N 3.46Å; Q618-N622 PolarHBondContact O-ND2 3.12Å
619	A	46.5	Very low	47.5	Very low	46 Å²	46	106.2 Å²	106.2	38%	0.38	55%	0.554	S	S	.	*	H	α-helix	trans	-76.7	-28.9	172.8	0	0	0	0	0	112.4	N615 Q616 S617 N623	N615-A619 WeakPolarHBondContact O-CB 3.19Å; N615-A619 PolarHBondContact O-N 2.79Å; N615-A619 VanDerWaalsContact O-N 3.08Å; Q616-A619 PolarHBondContact O-N 3.16Å; S617-A619 VanDerWaalsContact C-N 3.29Å; S617-A619 PolarHBondContact O-N 2.74Å; A619-N623 PolarHBondContact O-N 3.2Å; A619-N623 PolarHBondContact O-ND2 2.75Å
620	E	48.5	Very low	47.4	Very low	130 Å²	130	108.9 Å²	108.9	61%	0.607	57%	0.565	S	S	*	*	H	α-helix	trans	-76.1	-41.9	177.8	-73.6	179.6	167.7	0	0	112.2	Q616 S617 N622 N623 Q624	Q616-E620 WeakPolarHBondContact O-CG 3.47Å; Q616-E620 PolarHBondContact O-N 2.93Å; S617-E620 PolarHBondContact O-N 3.05Å; E620-N622 PolarHBondContact O-N 3.12Å; E620-N623 PolarHBondContact O-N 3.47Å; E620-N623 VanDerWaalsContact O-N 3.17Å; E620-Q624 PolarHBondContact O-N 2.72Å
621	E	49.1	Very low	47.4	Very low	144 Å²	144	108.7 Å²	108.7	67%	0.673	57%	0.568	S	S	*	*	H	α-helix	trans	-63	-37.7	174.8	-73.5	-171.6	141.8	0	0	113	S617 N623 Q624 S625	S617-E621 PolarHBondContact O-N 3.18Å; E621-N623 VanDerWaalsContact C-N 3.34Å; E621-Q624 PolarHBondContact O-N 3.26Å; E621-S625 PolarHBondContact O-N 3.26Å; E621-S625 PolarHBondContact O-OG 2.63Å
622	N	47.1	Very low	47.3	Very low	108 Å²	108	114.1 Å²	114.1	58%	0.578	58%	0.584	S	S	*	*	H	α-helix	trans	-70	-27.9	175.3	-80.8	-48.4	0	0	0	113	Q618 E620 S625 Q626	Q618-N622 PolarHBondContact O-ND2 3.12Å; E620-N622 PolarHBondContact O-N 3.12Å; N622-S625 WeakPolarHBondContact CA-OG 3.49Å; N622-S625 PolarHBondContact O-OG 2.96Å; N622-Q626 PolarHBondContact O-N 3.12Å
623	N	49.1	Very low	47.3	Very low	104 Å²	104	111.6 Å²	111.6	56%	0.556	58%	0.581	S	S	*	*	H	α-helix	trans	-80.8	-31.9	175	-83.6	-60	0	0	0	112.4	A619 E620 E621 Q626 A627	A619-N623 PolarHBondContact O-N 3.2Å; A619-N623 PolarHBondContact O-ND2 2.75Å; E620-N623 PolarHBondContact O-N 3.47Å; E620-N623 VanDerWaalsContact O-N 3.17Å; E621-N623 VanDerWaalsContact C-N 3.34Å; N623-Q626 PolarHBondContact O-N 3.22Å; N623-A627 WeakPolarHBondContact O-CB 3.32Å; N623-A627 PolarHBondContact O-N 3.17Å; N623-A627 VanDerWaalsContact O-N 3.08Å
624	Q	48.8	Very low	47.3	Very low	139 Å²	139	113.4 Å²	113.4	65%	0.65	59%	0.59	S	S	*	*	H	α-helix	trans	-67.5	-40.7	174.9	-102.4	171.3	-16.3	0	0	112.3	E620 E621 Q626 A627 E628	E620-Q624 PolarHBondContact O-N 2.72Å; E621-Q624 PolarHBondContact O-N 3.26Å; Q624-Q626 PolarHBondContact O-N 3.39Å; Q624-A627 PolarHBondContact O-N 2.92Å; Q624-E628 PolarHBondContact O-N 3.5Å
625	S	48.2	Very low	47.1	Very low	62 Å²	62	111.9 Å²	111.9	43%	0.434	59%	0.593	S	S	.	*	H	α-helix	trans	-64.8	-35.8	175	41	0	0	0	0	113.3	E621 N622	E621-S625 PolarHBondContact O-N 3.26Å; E621-S625 PolarHBondContact O-OG 2.63Å; N622-S625 WeakPolarHBondContact CA-OG 3.49Å; N622-S625 PolarHBondContact O-OG 2.96Å
626	Q	48.3	Very low	47	Very low	121 Å²	121	115.1 Å²	115.1	57%	0.565	60%	0.604	S	S	*	*	H	α-helix	trans	-76.3	-19.9	174	-71.6	-172.8	-14.2	0	0	114.6	N622 N623 Q624 N630	N622-Q626 PolarHBondContact O-N 3.12Å; N623-Q626 PolarHBondContact O-N 3.22Å; Q624-Q626 PolarHBondContact O-N 3.39Å; Q626-N630 PolarHBondContact O-ND2 2.77Å
627	A	45.5	Very low	46.8	Very low	51 Å²	51	117.1 Å²	117.1	42%	0.421	62%	0.619	S	S	.	*	H	α-helix	trans	-78.2	-30.2	175.3	0	0	0	0	0	112.5	N623 Q624 N631	N623-A627 WeakPolarHBondContact O-CB 3.32Å; N623-A627 PolarHBondContact O-N 3.17Å; N623-A627 VanDerWaalsContact O-N 3.08Å; Q624-A627 PolarHBondContact O-N 2.92Å; A627-N631 PolarHBondContact O-N 3.41Å
628	E	46.2	Very low	46.3	Very low	151 Å²	151	117.9 Å²	117.9	71%	0.706	64%	0.635	S	S	*	*	H	α-helix	trans	-75.8	-38.2	177.9	-68.5	-171.2	155.4	0	0	112.5	Q624 N630 N631	Q624-E628 PolarHBondContact O-N 3.5Å; E628-N630 PolarHBondContact O-N 3.18Å; E628-N631 PolarHBondContact O-N 3.46Å
629	E	47.4	Very low	46.1	Very low	151 Å²	151	117.1 Å²	117.1	71%	0.706	64%	0.644	S	S	*	*	H	α-helix	trans	-64.2	-36.5	172.9	-74	-169	140.6	0	0	112.8	N631 Q632	E629-N631 PolarHBondContact O-N 3.09Å; E629-Q632 PolarHBondContact O-N 2.74Å
630	N	45.3	Very low	45.8	Very low	108 Å²	108	123.9 Å²	123.9	58%	0.578	67%	0.667	S	S	*	*	H	α-helix	trans	-75.6	-19.5	179.9	-86.4	-46.3	0	0	0	114.6	Q626 E628 S633	Q626-N630 PolarHBondContact O-ND2 2.77Å; E628-N630 PolarHBondContact O-N 3.18Å; N630-S633 PolarHBondContact O-OG 2.91Å
631	N	45.4	Very low	45.3	Very low	128 Å²	128	123.3 Å²	123.3	68%	0.684	68%	0.678	S	S	*	*	H	α-helix	trans	-83.2	-14.4	174.1	-93.8	-32.4	0	0	0	113.2	A627 E628 E629	A627-N631 PolarHBondContact O-N 3.41Å; E628-N631 PolarHBondContact O-N 3.46Å; E629-N631 PolarHBondContact O-N 3.09Å
632	Q	44	Very low	44.6	Very low	164 Å²	164	126.1 Å²	126.1	77%	0.766	69%	0.691	S	S	*	*	H	α-helix	trans	-86.3	-14.8	173.2	-94.4	175.7	-8.6	0	0	113.9	E629	E629-Q632 PolarHBondContact O-N 2.74Å
633	S	47.4	Very low	43.9	Very low	79 Å²	79	125.2 Å²	125.2	55%	0.552	70%	0.699	S	S	*	*	S	Bend	trans	-93.4	-10.6	-179.2	60.1	0	0	0	0	115.2	N630	N630-S633 PolarHBondContact O-OG 2.91Å
634	Q	47.3	Very low	43.1	Very low	171 Å²	171	129.7 Å²	129.7	80%	0.799	72%	0.716	S	S	*	*	S	Bend	trans	-101.1	4	177.9	-68.3	-163.1	-21.9	0	0	114.8
635	A	42.6	Very low	42.3	Very low	80 Å²	80	130.7 Å²	130.7	66%	0.661	73%	0.726	S	S	*	*	S	Bend	trans	-90.6	-10.5	-179.3	0	0	0	0	0	114.9
636	E	44.1	Very low	41.5	Very low	178 Å²	178	137.5 Å²	137.5	83%	0.832	75%	0.748	S	S	*	*	S	Bend	trans	-106.8	-13.9	-172.1	-65.6	-158.7	141	0	0	116
637	D	44.8	Very low	40.6	Very low	165 Å²	165	136.8 Å²	136.8	88%	0.882	76%	0.756	S	S	*	*	S	Bend	trans	-104.1	20.1	-171.9	-150.1	19.8	0	0	0	114.8
638	G	39.7	Very low	39.9	Very low	71 Å²	71	143.6 Å²	143.6	73%	0.732	78%	0.779	S	S	*	*	S	Bend	trans	-101.3	-2.2	-179.1	0	0	0	0	0	115.8
639	S	42.2	Very low	39.2	Very low	108 Å²	108	142.2 Å²	142.2	76%	0.755	79%	0.786	S	S	*	*	S	Bend	trans	-112	44.6	-164.1	-64.8	0	0	0	0	115.1
640	Q	41.1	Very low	38.4	Very low	188 Å²	188	144.4 Å²	144.4	88%	0.879	80%	0.796	S	S	*	*	S	Bend	trans	-164.5	92.1	165	-114	166	38.9	0	0	113
641	S	37.6	Very low	37.7	Very low	118 Å²	118	143.4 Å²	143.4	83%	0.825	80%	0.803	S	S	*	*			trans	-179.7	35.7	155.9	43.6	0	0	0	0	115.5
642	Q	34.1	Very low	37.2	Very low	204 Å²	204	146.3 Å²	146.3	95%	0.953	81%	0.813	S	S	*	*			trans	-138.5	76.8	164	-74.6	-161.5	-6.1	0	0	112.4
643	A	33.7	Very low	36.7	Very low	89 Å²	89	145.2 Å²	145.2	74%	0.736	81%	0.812	S	S	*	*			trans	-141.3	147.6	155.4	0	0	0	0	0	107.1
644	E	30.8	Very low	35.9	Very low	197 Å²	197	151.8 Å²	151.8	92%	0.921	83%	0.825	S	S	*	*			trans	66.4	91.9	-173.8	-49.1	179.5	177.9	0	0	112.2
645	D	32.3	Very low	35.3	Very low	160 Å²	160	148 Å²	148	86%	0.856	82%	0.817	S	S	*	*				-151	122.4	78.7	-164.5	-7.2	0	0	0	113
646	K	31.3	Very low	35	Very low	205 Å²	205	152.4 Å²	152.4	89%	0.891	82%	0.824	S	S	*	*			trans	-163	82.7	169.3	-128	-174	-170.7	-179.5	0	110.5
647	S	30.4	Very low	34.5	Very low	106 Å²	106	148.1 Å²	148.1	74%	0.741	81%	0.814	S	S	*	*			trans	-162.9	115.4	154.9	-86.9	0	0	0	0	113.7
648	Q	30.6	Very low	34.1	Very low	194 Å²	194	147.4 Å²	147.4	91%	0.907	81%	0.81	S	S	*	*			trans	110.4	105.4	166.3	-63.1	175.2	6.7	0	0	113
649	S	30.7	Very low	33.9	Very low	123 Å²	123	149.9 Å²	149.9	86%	0.86	81%	0.811	S	S	*	*				-166.9	143	65.5	36.2	0	0	0	0	111.7
650	Q	31.6	Very low	33.7	Very low	196 Å²	196	153 Å²	153	92%	0.916	81%	0.813	S	S	*	*			trans	-105.4	137.3	159.2	-72.9	179	-38.6	0	0	107.8
651	A	30	Very low	33.6	Very low	87 Å²	87	151.3 Å²	151.3	72%	0.719	81%	0.81	S	S	*	*				171.6	156	128.4	0	0	0	0	0	110.8
652	E	34.3	Very low	34.7	Very low	190 Å²	190	150.2 Å²	150.2	89%	0.888	80%	0.8	S	S	*	*			trans	69.4	132.8	167.4	-61.2	172.8	-169.8	0	0	116.8
653	D	33.4	Very low	35	Very low	140 Å²	140	145.9 Å²	145.9	75%	0.749	79%	0.793	S	S	*	*			cis	-153.1	177.2	-18.1	-162.6	6.5	0	0	0	109.9
654	R	31.8	Very low	35.5	Very low	218 Å²	218	151.5 Å²	151.5	82%	0.823	82%	0.818	S	S	*	*			trans	-60.2	172.2	175.4	-58.8	151.1	152.6	173.5	-8.4	112.1
655	S	33.3	Very low	35.7	Very low	91 Å²	91	149.2 Å²	149.2	64%	0.636	81%	0.813	S	S	*	*			cis	-166.1	157.2	24.9	-24.3	0	0	0	0	111.7
656	Q	36.4	Very low	35.9	Very low	173 Å²	173	148.6 Å²	148.6	81%	0.808	81%	0.81	S	S	*	*			trans	50.8	125.7	143	-63.6	167.6	-52.2	0	0	119.8
657	S	34.1	Very low	36.2	Very low	88 Å²	88	145.5 Å²	145.5	62%	0.615	81%	0.806	S	S	*	*			cis	77.7	101.9	42	83.2	0	0	0	0	116
658	D	36.6	Very low	36.5	Very low	150 Å²	150	147.8 Å²	147.8	80%	0.802	81%	0.81	S	S	*	*			trans	65.5	130.2	146	-46.4	-38.1	0	0	0	121.7
659	V	35.8	Very low	36.9	Very low	123 Å²	123	144.9 Å²	144.9	75%	0.745	80%	0.804	S	S	*	*				166.6	127.7	106.4	161.2	0	0	0	0	112.2
660	E	37.6	Very low	37.3	Very low	174 Å²	174	146.4 Å²	146.4	81%	0.813	80%	0.8	S	S	*	*			trans	29.5	123.7	148.7	-56.6	175.7	147	0	0	123.9
661	D	38.8	Very low	37.7	Very low	152 Å²	152	142.9 Å²	142.9	81%	0.813	79%	0.792	S	S	*	*				49.9	168.1	116.6	-130.4	26.4	0	0	0	122.1
662	P	60.5	Low	38.3	Very low	94 Å²	94	147.2 Å²	147.2	61%	0.61	80%	0.797	S	S	*	*			cis	-125.3	-168.5	-31.5	16.6	8.4	0	0	0	113.1
663	S	41.9	Very low	38.6	Very low	114 Å²	114	143.6 Å²	143.6	80%	0.797	79%	0.79	S	S	*	*			trans	75.9	145.3	165.6	76.1	0	0	0	0	116.9
664	T	43.7	Very low	39.1	Very low	206 Å²	206	143.9 Å²	143.9	100%	1.264	79%	0.793	S	S	*	*			cis	-140.6	0	11.1	-37.4	0	0	0	0	110.9

Retrieved 664 of 664 residues in 301.2 ms (Link to these results)

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