A0A096MYE8_PAPAN Loading...

Carboxypeptidase E

Sorting receptor that directs prohormones to the regulated secretory pathway. Also acts as a prohormone processing enzyme in neuro/endocrine cells, removing dibasic residues from the C-terminal end of peptide hormone precursors after initial endoprotease cleavage.

AlphaFold DB , UniProt , Accession A0A096MYE8, Species PAPAN (Papio anubis, Olive baboon), Gene CPE, Length 476 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.6	Very low	33.3	Very low	237 Å²	237	142.3 Å²	142.3	100%	1.167	84%	0.843	S	S	*	*				0	102.2	0	-74.2	179.8	-178.1	0	0	106.5
2	A	35.8	Very low	33	Very low	106 Å²	106	144.3 Å²	144.3	88%	0.876	85%	0.846	S	S	*	*				66.1	113	102.4	0	0	0	0	0	110.5
3	G	31.4	Very low	32.6	Very low	68 Å²	68	143.2 Å²	143.2	70%	0.701	85%	0.848	S	S	*	*			cis	127.1	150.5	19.6	0	0	0	0	0	109.2
4	R	36.2	Very low	32.1	Very low	259 Å²	259	138.9 Å²	138.9	98%	0.977	85%	0.848	S	S	*	*			trans	78.7	139.3	164.4	-56.7	176.8	171.3	-166.2	-3.1	115.4
5	G	30.5	Very low	32.1	Very low	76 Å²	76	136 Å²	136	78%	0.784	84%	0.844	S	S	*	*			cis	159.2	132.1	10.5	0	0	0	0	0	105.8
6	G	31.5	Very low	31.9	Very low	69 Å²	69	138.3 Å²	138.3	71%	0.711	85%	0.848	S	S	*	*				118.3	117.6	90.3	0	0	0	0	0	108.2
7	R	36.3	Very low	31.8	Very low	257 Å²	257	135.3 Å²	135.3	97%	0.97	84%	0.841	S	S	*	*				67.5	139.8	106.6	-71	-175.6	172.1	-167.5	-2.5	113.2
8	A	32.8	Very low	31.8	Very low	87 Å²	87	133.2 Å²	133.2	72%	0.719	84%	0.839	S	S	*	*			cis	-161.5	142.7	28.9	0	0	0	0	0	108.3
9	L	32	Very low	31.6	Very low	161 Å²	161	133.6 Å²	133.6	84%	0.843	85%	0.845	S	S	*	*				52.7	116.5	92.6	-110.6	102.4	0	0	0	116.3
10	L	30.3	Very low	31.4	Very low	165 Å²	165	130.1 Å²	130.1	86%	0.864	84%	0.835	S	S	*	*			trans	-156.2	116.2	137	-111.5	138.7	0	0	0	110.3
11	A	32.6	Very low	31.3	Very low	80 Å²	80	135.1 Å²	135.1	66%	0.661	84%	0.837	S	S	*	*			trans	-87.9	155.2	167.3	0	0	0	0	0	109.6
12	L	29.7	Very low	30.9	Very low	167 Å²	167	132.4 Å²	132.4	87%	0.874	83%	0.827	S	S	*	*			trans	-157.6	131	147.3	-109.6	142	0	0	0	111.8
13	C	27.7	Very low	30.7	Very low	130 Å²	130	135.1 Å²	135.1	88%	0.878	83%	0.826	S	S	*	*			trans	-65.3	164.9	178.7	-66.9	0	0	0	0	114.5
14	G	26.6	Very low	30.6	Very low	82 Å²	82	135.4 Å²	135.4	85%	0.845	83%	0.828	S	S	*	*			trans	168.4	95.1	153.5	0	0	0	0	0	113.8
15	A	31.7	Very low	30.3	Very low	96 Å²	96	127.9 Å²	127.9	79%	0.793	82%	0.822	S	S	*	*			trans	-81.7	152.1	166.9	0	0	0	0	0	111
16	L	29.6	Very low	30.3	Very low	172 Å²	172	133.2 Å²	133.2	90%	0.901	83%	0.826	S	S	*	*			trans	178.9	120.3	132.7	-96.2	159.3	0	0	0	113.7
17	A	30	Very low	30.3	Very low	88 Å²	88	134.9 Å²	134.9	73%	0.727	83%	0.833	S	S	*	*			trans	19.8	129.5	140.6	0	0	0	0	0	124.2
18	A	30.5	Very low	29.9	Very low	97 Å²	97	131.4 Å²	131.4	80%	0.802	83%	0.828	S	S	*	*				66.2	117.5	122.7	0	0	0	0	0	122.8
19	C	27.9	Very low	29.8	Very low	142 Å²	142	136.1 Å²	136.1	96%	0.959	84%	0.835	S	S	*	*			trans	178	134.6	134.9	-106.7	0	0	0	0	105.3
20	G	28.5	Very low	29.8	Very low	62 Å²	62	134.5 Å²	134.5	64%	0.639	83%	0.834	S	S	*	*			cis	123.7	101.9	38.4	0	0	0	0	0	107.1
21	W	28.4	Very low	30.1	Very low	236 Å²	236	130.4 Å²	130.4	89%	0.894	83%	0.832	S	S	*	*			trans	47.6	118.5	153	-67.3	56	0	0	0	119.5
22	L	29.7	Very low	30	Very low	180 Å²	180	131.5 Å²	131.5	94%	0.942	84%	0.841	S	S	*	*			trans	-154	122.8	141	-103.1	146.4	0	0	0	110.4
23	L	31.7	Very low	30.5	Very low	164 Å²	164	129.5 Å²	129.5	86%	0.859	84%	0.838	S	S	*	*			trans	-62.5	146.4	171	-73.3	144.2	0	0	0	110.9
24	G	28.3	Very low	31	Very low	73 Å²	73	126.7 Å²	126.7	75%	0.753	82%	0.824	S	S	*	*			trans	177.4	87.7	169.2	0	0	0	0	0	115.6
25	A	30.1	Very low	31.5	Very low	101 Å²	101	126.9 Å²	126.9	84%	0.835	82%	0.818	S	S	*	*			trans	64.2	115.9	145.8	0	0	0	0	0	120.7
26	E	30.6	Very low	31.5	Very low	189 Å²	189	125.1 Å²	125.1	88%	0.883	81%	0.809	S	S	*	*			trans	-54.5	134.3	156.1	-75.2	156	130.6	0	0	112.2
27	A	30.7	Very low	31.7	Very low	103 Å²	103	125 Å²	125	85%	0.851	81%	0.806	S	S	*	*			trans	-135.2	112.1	148.1	0	0	0	0	0	107.2
28	Q	28.2	Very low	32	Very low	184 Å²	184	130.8 Å²	130.8	86%	0.86	81%	0.809	S	S	*	*			trans	-96	114.1	-177	-161.9	168.4	14.3	0	0	107.6
29	E	30.6	Very low	32.3	Very low	186 Å²	186	136.2 Å²	136.2	87%	0.869	81%	0.808	S	S	*	*			trans	-114.1	139.2	159.8	-81.7	-145.1	158.9	0	0	110.2
30	P	33	Very low	32.5	Very low	128 Å²	128	140.3 Å²	140.3	83%	0.831	80%	0.804	S	S	*	*			trans	-95.7	144.5	-171.3	36.1	-29.3	0	0	0	112.4
31	G	36	Very low	32.7	Very low	79 Å²	79	146.7 Å²	146.7	81%	0.814	81%	0.809	S	S	*	*			trans	112	80.5	147	0	0	0	0	0	117.6
32	A	30.2	Very low	33.3	Very low	103 Å²	103	144.2 Å²	144.2	85%	0.851	80%	0.799	S	S	*	*			trans	-158.7	107.9	143.9	0	0	0	0	0	110
33	P	40.8	Very low	33.7	Very low	125 Å²	125	143 Å²	143	81%	0.812	79%	0.793	S	S	*	*			trans	-105.4	160.2	173.5	33.2	-22.1	0	0	0	113.4
34	A	37.4	Very low	34	Very low	70 Å²	70	144.2 Å²	144.2	58%	0.579	79%	0.794	S	S	*	*	S	Bend	trans	96.9	-13.8	149	0	0	0	0	0	121.6
35	A	38	Very low	34.4	Very low	87 Å²	87	146.7 Å²	146.7	72%	0.719	79%	0.786	S	S	*	*	H	α-helix	trans	-81.5	-41.8	178.6	0	0	0	0	0	113.6
36	G	31.6	Very low	35	Very low	59 Å²	59	151.7 Å²	151.7	61%	0.608	79%	0.792	S	S	*	*	H	α-helix	trans	-79.8	-27.7	-174	0	0	0	0	0	114.9
37	M	33.9	Very low	36.1	Very low	169 Å²	169	148 Å²	148	83%	0.833	78%	0.779	S	S	*	*	H	α-helix	trans	-83.1	-28.1	-176.6	-147.1	168.2	-173.7	0	0	112.4
38	R	36.4	Very low	38.4	Very low	210 Å²	210	145.6 Å²	145.6	79%	0.792	76%	0.763	S	S	*	*	H	α-helix	trans	-65.7	-38.5	169.9	-92.6	-178.3	160.3	-161.3	-6.7	112.2	R40 R41	R38-R40 PolarHBondContact O-N 3.46Å; R38-R41 PolarHBondContact O-N 3.33Å
39	R	36.3	Very low	41.3	Very low	210 Å²	210	137.9 Å²	137.9	79%	0.792	73%	0.728	S	S	*	*	H	α-helix	trans	-73.6	-24.7	-174.9	-139.9	176.7	-177.2	-168.4	0.2	113.9
40	R	31.2	Very low	44.4	Very low	228 Å²	228	131.6 Å²	131.6	86%	0.86	70%	0.704	S	S	*	*	H	α-helix	trans	-92.3	-11.1	178.5	-109.5	179.5	173.6	-178.9	-2.6	114.7	R38	R38-R40 PolarHBondContact O-N 3.46Å
41	R	34.1	Very low	47.4	Very low	197 Å²	197	129 Å²	129	74%	0.743	68%	0.68	S	S	*	*	S	Bend	trans	-87.2	-7.6	173.1	-143.7	177.2	-178	-172.8	-1.5	113.1	R38	R38-R41 PolarHBondContact O-N 3.33Å
42	R	40.9	Very low	50.2	Low	183 Å²	183	129 Å²	129	69%	0.691	66%	0.659	S	S	*	*	S	Bend	trans	-92.3	9.2	-174.8	-135.9	-177	-161.2	-150	5.4	115	E61	R42-E61 IonicContact NH1-OE2 3.47Å
43	L	37.6	Very low	53.4	Low	155 Å²	155	125.4 Å²	125.4	81%	0.812	62%	0.624	S	S	*	*	S	Bend	trans	-127.6	8.8	-175.1	-80.6	165.3	0	0	0	114.9
44	Q	37.6	Very low	56.2	Low	190 Å²	190	119.9 Å²	119.9	89%	0.888	59%	0.587	S	S	*	*	S	Bend	trans	-149.6	89.8	164.3	-75.5	-173.1	-18.1	0	0	107.9
45	Q	36.4	Very low	59.1	Low	125 Å²	125	121 Å²	121	58%	0.584	58%	0.576	S	S	*	*			trans	-150.8	123.3	164.4	-145.9	165.9	-8.7	0	0	109.4	D47	Q45-D47 HydrophobicContact CB-CB 4.48Å; Q45-D47 VanDerWaalsContact CD-OD2 3.23Å; Q45-D47 HydrophobicContact CG-CB 3.85Å; Q45-D47 VanDerWaalsContact CG-OD2 3.24Å; Q45-D47 WeakPolarHBondContact CG-OD2 3.4Å; Q45-D47 PolarHBondContact NE2-OD2 3.44Å; Q45-D47 PolarHBondContact O-N 2.7Å
46	E	43.5	Very low	62	Low	205 Å²	205	118.3 Å²	118.3	96%	0.958	55%	0.548	S	S	*	.			trans	-67.2	19.1	167.8	-72.1	-173.7	142.6	0	0	112.9
47	D	54.4	Low	65.2	Low	113 Å²	113	118.9 Å²	118.9	60%	0.604	54%	0.541	S	S	*	.			trans	-105.4	125.2	-173	-69	-31.4	0	0	0	109.7	Q45	Q45-D47 HydrophobicContact CB-CB 4.48Å; Q45-D47 VanDerWaalsContact CD-OD2 3.23Å; Q45-D47 HydrophobicContact CG-CB 3.85Å; Q45-D47 VanDerWaalsContact CG-OD2 3.24Å; Q45-D47 WeakPolarHBondContact CG-OD2 3.4Å; Q45-D47 PolarHBondContact NE2-OD2 3.44Å; Q45-D47 PolarHBondContact O-N 2.7Å
48	G	77.6	Confident	68.2	Low	51 Å²	51	114.5 Å²	114.5	53%	0.526	52%	0.518	S	S	.	.			trans	-61.4	-164.1	-175.5	0	0	0	0	0	115.6	S50	G48-S50 PolarHBondContact O-N 2.9Å
49	I	90.9	Very high	71.2	Confident	22 Å²	22	104.6 Å²	104.6	11%	0.113	48%	0.481	C	S	.	.	S	Bend	trans	-63.1	132.5	177.8	-68.5	162.8	0	0	0	107.8	H54 A62 V66 I125 F126 Q129	I49-H54 WeakPolarHBondContact CG2-CE1 3.3Å; I49-H54 VanDerWaalsContact CG2-NE2 3.33Å; I49-H54 WeakPolarHBondContact CG2-NE2 3.42Å; I49-A62 HydrophobicContact CD1-CB 4.01Å; I49-A62 HydrophobicContact CG1-CB 4.34Å; I49-V66 HydrophobicContact CD1-CG2 3.93Å; I49-I125 HydrophobicContact CD1-CG2 3.78Å; I49-I125 HydrophobicContact CG2-CG2 3.96Å; I49-F126 HydrophobicContact CG2-CD1 4.19Å; I49-F126 HydrophobicContact CG2-CE1 3.99Å; I49-Q129 HydrophobicContact CD1-CB 3.78Å; I49-Q129 HydrophobicContact CD1-CG 4.43Å; I49-Q129 VanDerWaalsContact N-CD 3.33Å
50	S	94	Very high	74.2	Confident	54 Å²	54	100.8 Å²	100.8	38%	0.378	47%	0.466	S	S	.	.			trans	-67.3	146.2	-178.7	23.6	0	0	0	0	111.7	G48 E52 H54 F126	G48-S50 PolarHBondContact O-N 2.9Å; S50-E52 PolarHBondContact O-N 3.48Å; S50-E52 VanDerWaalsContact OG-CD 3.3Å; S50-E52 PolarHBondContact OG-OE1 3.38Å; S50-H54 PolarHBondContact O-CE1 3.35Å; S50-H54 VanDerWaalsContact O-CE1 3.24Å; S50-F126 WeakPolarHBondContact O-CE1 3.45Å
51	F	95.9	Very high	77.4	Confident	74 Å²	74	95.1 Å²	95.1	33%	0.325	45%	0.45	S	S	.	.	S	Bend	trans	-78.5	75	168.9	-68.2	-78	0	0	0	110	F126 L354 K355 W358	F51-F126 HydrophobicContact CD1-CD2 4.01Å; F51-F126 HydrophobicContact CD1-CE1 4.18Å; F51-F126 AromaticContact CD1-CE2 3.49Å; F51-F126 HydrophobicContact CD1-CE2 3.49Å; F51-F126 VanDerWaalsContact CD1-CE2 3.49Å; F51-F126 AromaticContact CD1-CZ 3.6Å; F51-F126 HydrophobicContact CD1-CZ 3.6Å; F51-F126 HydrophobicContact CE1-CD1 4.49Å; F51-F126 AromaticContact CE1-CD2 3.78Å; F51-F126 HydrophobicContact CE1-CD2 3.78Å; F51-F126 HydrophobicContact CE1-CE1 4.48Å; F51-F126 AromaticContact CE1-CE2 3.77Å; F51-F126 HydrophobicContact CE1-CE2 3.77Å; F51-F126 HydrophobicContact CE1-CG 4.18Å; F51-F126 HydrophobicContact CE1-CZ 4.15Å; F51-F126 HydrophobicContact CG-CZ 4.38Å; F51-L354 HydrophobicContact CB-CB 4.26Å; F51-L354 HydrophobicContact CD1-CB 4.38Å; F51-K355 HydrophobicContact CB-CB 4.43Å; F51-K355 HydrophobicContact CD1-CB 4.03Å; F51-K355 HydrophobicContact CD2-CB 4.05Å; F51-K355 HydrophobicContact CD2-CD 4.34Å; F51-K355 HydrophobicContact CD2-CG 4.12Å; F51-K355 HydrophobicContact CE1-CB 4.3Å; F51-K355 HydrophobicContact CE1-CG 4.39Å; F51-K355 HydrophobicContact CE2-CB 4.31Å; F51-K355 HydrophobicContact CE2-CD 4.25Å; F51-K355 HydrophobicContact CE2-CG 3.93Å; F51-K355 HydrophobicContact CG-CB 3.9Å; F51-K355 HydrophobicContact CG-CG 4.42Å; F51-K355 HydrophobicContact CZ-CB 4.43Å; F51-K355 HydrophobicContact CZ-CG 4.07Å; F51-W358 HydrophobicContact CD1-CB 4.48Å; F51-W358 HydrophobicContact CE1-CB 3.6Å; F51-W358 AromaticContact CE1-CD1 3.84Å; F51-W358 AromaticContact CE1-CG 3.76Å; F51-W358 HydrophobicContact CE1-CG 3.76Å; F51-W358 HydrophobicContact CZ-CB 4.32Å; F51-W358 AromaticContact CZ-CD1 3.7Å; F51-W358 HydrophobicContact CZ-CG 4.11Å
52	E	95.9	Very high	80.4	Confident	79 Å²	79	86 Å²	86	37%	0.369	42%	0.417	S	S	.	.	S	Bend	trans	-140.5	168.3	176.3	65.5	-170	166.5	0	0	109.5	S50 H54	S50-E52 PolarHBondContact O-N 3.48Å; S50-E52 VanDerWaalsContact OG-CD 3.3Å; S50-E52 PolarHBondContact OG-OE1 3.38Å; E52-H54 PolarHBondContact O-CE1 3.22Å; E52-H54 PolarHBondContact O-N 3.03Å; E52-H54 PolarHBondContact O-ND1 2.95Å; E52-H54 VanDerWaalsContact O-ND1 3.12Å
53	Y	97.8	Very high	83.2	Confident	28 Å²	28	77.3 Å²	77.3	11%	0.11	38%	0.384	C	S	.	.			trans	-77.1	122.1	175.2	-75.8	-62.5	0	0	0	111.6	R55 A118 E122 F162 F348 P349 E351 L354	Y53-R55 PolarHBondContact O-N 2.92Å; Y53-A118 HydrophobicContact CD1-CB 4.15Å; Y53-A118 HydrophobicContact CE1-CB 3.48Å; Y53-A118 VanDerWaalsContact CE1-CB 3.48Å; Y53-E122 HydrophobicContact CD1-CG 3.71Å; Y53-E122 HydrophobicContact CE1-CG 3.94Å; Y53-F162 HydrophobicContact CD1-CE2 4.35Å; Y53-F162 HydrophobicContact CD1-CZ 4.26Å; Y53-F348 HydrophobicContact CD1-CE1 4.07Å; Y53-F348 HydrophobicContact CD1-CZ 4.04Å; Y53-F348 HydrophobicContact CD2-CD1 4.26Å; Y53-F348 AromaticContact CD2-CE1 3.4Å; Y53-F348 HydrophobicContact CD2-CE1 3.4Å; Y53-F348 HydrophobicContact CD2-CZ 4.01Å; Y53-F348 HydrophobicContact CE1-CD1 4.31Å; Y53-F348 AromaticContact CE1-CE1 3.93Å; Y53-F348 HydrophobicContact CE1-CE1 3.93Å; Y53-F348 HydrophobicContact CE1-CZ 4.17Å; Y53-F348 AromaticContact CE2-CD1 3.62Å; Y53-F348 HydrophobicContact CE2-CD1 3.62Å; Y53-F348 AromaticContact CE2-CE1 3.21Å; Y53-F348 HydrophobicContact CE2-CE1 3.21Å; Y53-F348 HydrophobicContact CE2-CZ 4.13Å; Y53-F348 AromaticContact CG-CE1 3.82Å; Y53-F348 HydrophobicContact CG-CE1 3.82Å; Y53-F348 AromaticContact CG-CZ 3.96Å; Y53-F348 HydrophobicContact CG-CZ 3.96Å; Y53-F348 AromaticContact CZ-CD1 3.63Å; Y53-F348 AromaticContact CZ-CE1 3.48Å; Y53-F348 VanDerWaalsContact CZ-CE1 3.48Å; Y53-P349 WeakPolarHBondContact CE2-O 3.42Å; Y53-P349 VanDerWaalsContact CZ-O 3.31Å; Y53-P349 WeakPolarHBondContact OH-CD 3.25Å; Y53-P349 PolarHBondContact OH-O 3.39Å; Y53-E351 HydrophobicContact CD2-CG 3.38Å; Y53-E351 HydrophobicContact CE2-CG 3.74Å; Y53-E351 HydrophobicContact CG-CG 4.32Å; Y53-E351 PolarHBondContact N-OE1 3.1Å; Y53-E351 VanDerWaalsContact N-OE1 3.12Å; Y53-L354 HydrophobicContact CD1-CD1 4.41Å; Y53-L354 HydrophobicContact CE1-CD1 4.31Å; Y53-L354 HydrophobicContact CE1-CD2 4Å
54	H	98.4	Very high	86.1	Confident	9 Å²	9	72.3 Å²	72.3	4%	0.042	36%	0.36	C	S	.	.			trans	-90.9	104	177.8	-62.1	84.6	0	0	0	109.6	I49 S50 E52 E58 L59 R121 E122 I125 F162	I49-H54 WeakPolarHBondContact CG2-CE1 3.3Å; I49-H54 VanDerWaalsContact CG2-NE2 3.33Å; I49-H54 WeakPolarHBondContact CG2-NE2 3.42Å; S50-H54 PolarHBondContact O-CE1 3.35Å; S50-H54 VanDerWaalsContact O-CE1 3.24Å; E52-H54 PolarHBondContact O-CE1 3.22Å; E52-H54 PolarHBondContact O-N 3.03Å; E52-H54 PolarHBondContact O-ND1 2.95Å; E52-H54 VanDerWaalsContact O-ND1 3.12Å; H54-E58 HydrophobicContact CB-CB 4.02Å; H54-L59 HydrophobicContact CB-CB 4.19Å; H54-R121 PolarHBondContact O-NE 3.45Å; H54-R121 PolarHBondContact O-NH2 3.17Å; H54-E122 IonicContact CE1-OE2 2.61Å; H54-E122 IonicContact CG-OE2 2.97Å; H54-E122 PolarHBondContact N-OE1 2.75Å; H54-E122 IonicContact ND1-OE2 3.4Å; H54-E122 PolarHBondContact ND1-OE2 2.74Å; H54-I125 HydrophobicContact CB-CD1 3.91Å; H54-F162 WeakPolarHBondContact O-CE1 3.4Å
55	R	98.4	Very high	88.9	Confident	93 Å²	93	66.1 Å²	66.1	35%	0.351	34%	0.338	S	S	.	.			trans	-60	169.2	164.5	-73.7	-175.8	-176.6	-129.5	1.9	110.9	Y53 E58 L59 F162 E163 A166 S167	Y53-R55 PolarHBondContact O-N 2.92Å; R55-E58 WeakPolarHBondContact CB-OE2 3.47Å; R55-E58 CarbonylContact O-C 3.53Å; R55-E58 PolarHBondContact O-N 2.88Å; R55-L59 PolarHBondContact O-N 2.84Å; R55-F162 HydrophobicContact CG-CE1 4.29Å; R55-E163 WeakPolarHBondContact CA-OE1 3.46Å; R55-E163 WeakPolarHBondContact CB-OE1 3.39Å; R55-E163 IonicContact NH1-OE2 3.78Å; R55-E163 PolarHBondContact NH1-OE2 3.06Å; R55-A166 HydrophobicContact CG-CB 4.48Å; R55-A166 PolarHBondContact NH2-O 2.98Å; R55-S167 PolarHBondContact NH1-OG 2.92Å; R55-S167 PolarHBondContact NH2-OG 3.22Å
56	Y	98.8	Very high	91.9	Very high	31 Å²	31	60.2 Å²	60.2	12%	0.122	31%	0.31	C	S	.	.	H	α-helix	trans	-54.6	-45.1	-168.9	-177.5	-98.5	0	0	0	114.1	E58 R60 R86 E87 P159 E163	Y56-E58 PolarHBondContact O-N 3.16Å; Y56-R60 PolarHBondContact O-N 3.16Å; Y56-R60 VanDerWaalsContact O-N 3.12Å; Y56-R86 HydrophobicContact CD1-CB 4.47Å; Y56-R86 HydrophobicContact CD1-CG 4.17Å; Y56-R86 HydrophobicContact CD2-CB 4.13Å; Y56-R86 HydrophobicContact CD2-CG 4.36Å; Y56-R86 HydrophobicContact CE1-CB 4.14Å; Y56-R86 HydrophobicContact CE1-CG 4.23Å; Y56-R86 HydrophobicContact CE2-CB 3.79Å; Y56-R86 HydrophobicContact CE2-CG 4.43Å; Y56-R86 HydrophobicContact CG-CB 4.46Å; Y56-R86 HydrophobicContact CG-CG 4.23Å; Y56-E87 WeakPolarHBondContact CE2-O 3.38Å; Y56-E87 WeakPolarHBondContact OH-CA 3.36Å; Y56-E87 VanDerWaalsContact OH-CB 3.22Å; Y56-E87 WeakPolarHBondContact OH-CB 3.44Å; Y56-E87 PolarHBondContact OH-N 2.89Å; Y56-E87 PolarHBondContact OH-O 3.34Å; Y56-E87 VanDerWaalsContact OH-O 3.06Å; Y56-P159 HydrophobicContact CD2-CB 3.88Å; Y56-P159 HydrophobicContact CE2-CB 4.33Å; Y56-E163 WeakPolarHBondContact CB-OE1 3.37Å; Y56-E163 PolarHBondContact N-OE1 2.8Å
57	P	98.5	Very high	94.5	Very high	71 Å²	71	55.1 Å²	55.1	46%	0.461	28%	0.282	S	S	.	.	H	α-helix	trans	-59.4	-44.3	173	-23	34.5	0	0	0	113	R60 E61	P57-R60 WeakPolarHBondContact O-CB 3.44Å; P57-R60 PolarHBondContact O-N 3.45Å; P57-E61 WeakPolarHBondContact O-CG 3.43Å; P57-E61 PolarHBondContact O-N 3.07Å
58	E	98.6	Very high	96.6	Very high	76 Å²	76	54.9 Å²	54.9	36%	0.355	28%	0.28	S	S	.	.	H	α-helix	trans	-69.4	-38.1	-177.9	-65.2	77.6	-175.7	0	0	111.8	H54 R55 Y56 R60 E61 A62	H54-E58 HydrophobicContact CB-CB 4.02Å; R55-E58 WeakPolarHBondContact CB-OE2 3.47Å; R55-E58 CarbonylContact O-C 3.53Å; R55-E58 PolarHBondContact O-N 2.88Å; Y56-E58 PolarHBondContact O-N 3.16Å; E58-R60 VanDerWaalsContact C-N 3.3Å; E58-R60 PolarHBondContact O-N 2.95Å; E58-E61 PolarHBondContact O-N 2.88Å; E58-A62 WeakPolarHBondContact O-CB 3.19Å; E58-A62 PolarHBondContact O-N 3Å
59	L	98.6	Very high	97.5	Very high	3 Å²	3	55.6 Å²	55.6	2%	0.016	27%	0.27	C	S	.	.	H	α-helix	trans	-60.3	-45.1	172.5	173.7	161.9	0	0	0	109.6	H54 R55 A62 L63 L89 R121 I125 P155	H54-L59 HydrophobicContact CB-CB 4.19Å; R55-L59 PolarHBondContact O-N 2.84Å; L59-A62 WeakPolarHBondContact O-CB 3.48Å; L59-A62 PolarHBondContact O-N 2.85Å; L59-L63 HydrophobicContact CD2-CD1 3.78Å; L59-L63 HydrophobicContact CD2-CG 4.16Å; L59-L63 WeakPolarHBondContact O-CG 3.28Å; L59-L63 PolarHBondContact O-N 3.38Å; L59-L89 HydrophobicContact CD2-CD1 3.98Å; L59-R121 HydrophobicContact CD1-CG 4.26Å; L59-R121 VanDerWaalsContact CD1-NH2 3.26Å; L59-I125 HydrophobicContact CB-CD1 4.22Å; L59-I125 HydrophobicContact CD1-CD1 4.17Å; L59-I125 HydrophobicContact CG-CD1 3.95Å; L59-I125 HydrophobicContact CG-CG1 4.46Å; L59-P155 HydrophobicContact CD1-CB 4.03Å
60	R	98.5	Very high	97.8	Very high	130 Å²	130	54.9 Å²	54.9	49%	0.491	27%	0.266	S	S	.	.	H	α-helix	trans	-62.7	-44.2	176.9	179.1	-179.3	170.4	159.2	1.6	111.2	Y56 P57 E58 A62 L63 V64 E87 L89	Y56-R60 PolarHBondContact O-N 3.16Å; Y56-R60 VanDerWaalsContact O-N 3.12Å; P57-R60 WeakPolarHBondContact O-CB 3.44Å; P57-R60 PolarHBondContact O-N 3.45Å; E58-R60 VanDerWaalsContact C-N 3.3Å; E58-R60 PolarHBondContact O-N 2.95Å; R60-A62 VanDerWaalsContact C-N 3.32Å; R60-A62 PolarHBondContact O-N 3.33Å; R60-L63 PolarHBondContact O-N 3.43Å; R60-V64 HydrophobicContact CG-CG2 4.48Å; R60-V64 WeakPolarHBondContact O-CB 3.36Å; R60-V64 VanDerWaalsContact O-CG2 3.25Å; R60-V64 WeakPolarHBondContact O-CG2 3.48Å; R60-V64 PolarHBondContact O-N 3.19Å; R60-E87 IonicContact NH1-OE2 3.51Å; R60-L89 HydrophobicContact CB-CD1 4Å; R60-L89 HydrophobicContact CG-CD1 4.13Å
61	E	98.4	Very high	98	Very high	108 Å²	108	56 Å²	56	51%	0.505	27%	0.272	S	S	.	.	H	α-helix	trans	-58.9	-43.6	174.5	-74	-177.5	-176	0	0	111.4	R42 P57 E58 V64 S65	R42-E61 IonicContact NH1-OE2 3.47Å; P57-E61 WeakPolarHBondContact O-CG 3.43Å; P57-E61 PolarHBondContact O-N 3.07Å; E58-E61 PolarHBondContact O-N 2.88Å; E61-V64 PolarHBondContact O-N 3.42Å; E61-S65 WeakPolarHBondContact O-CB 3.49Å; E61-S65 PolarHBondContact O-N 3.37Å
62	A	98.4	Very high	98.1	Very high	7 Å²	7	56.3 Å²	56.3	6%	0.058	29%	0.287	C	S	.	.	H	α-helix	trans	-62	-49.1	178.6	0	0	0	0	0	112	I49 E58 L59 R60 V64 S65 V66 I125	I49-A62 HydrophobicContact CD1-CB 4.01Å; I49-A62 HydrophobicContact CG1-CB 4.34Å; E58-A62 WeakPolarHBondContact O-CB 3.19Å; E58-A62 PolarHBondContact O-N 3Å; L59-A62 WeakPolarHBondContact O-CB 3.48Å; L59-A62 PolarHBondContact O-N 2.85Å; R60-A62 VanDerWaalsContact C-N 3.32Å; R60-A62 PolarHBondContact O-N 3.33Å; A62-V64 PolarHBondContact O-N 3.46Å; A62-S65 WeakPolarHBondContact O-CB 3.37Å; A62-S65 PolarHBondContact O-N 2.67Å; A62-V66 PolarHBondContact O-N 3.19Å; A62-V66 VanDerWaalsContact O-N 3.07Å; A62-I125 HydrophobicContact CB-CG2 3.8Å
63	L	98.6	Very high	98.2	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.8	-43.6	176.7	-64.9	-172.7	0	0	0	111.8	L59 R60 S65 V66 W67 I76 L89 I91 P155	L59-L63 HydrophobicContact CD2-CD1 3.78Å; L59-L63 HydrophobicContact CD2-CG 4.16Å; L59-L63 WeakPolarHBondContact O-CG 3.28Å; L59-L63 PolarHBondContact O-N 3.38Å; R60-L63 PolarHBondContact O-N 3.43Å; L63-S65 VanDerWaalsContact C-N 3.26Å; L63-S65 PolarHBondContact O-N 2.86Å; L63-V66 PolarHBondContact O-N 3.21Å; L63-W67 PolarHBondContact O-N 2.91Å; L63-I76 HydrophobicContact CB-CD1 3.96Å; L63-I76 WeakPolarHBondContact O-CD1 3.45Å; L63-L89 HydrophobicContact CD1-CB 3.99Å; L63-L89 HydrophobicContact CD1-CD1 4.46Å; L63-I91 HydrophobicContact CD2-CB 4.21Å; L63-I91 HydrophobicContact CD2-CD1 4.48Å; L63-I91 HydrophobicContact CD2-CG2 3.87Å; L63-P155 HydrophobicContact CD1-CG 4.26Å; L63-P155 HydrophobicContact CD2-CG 4.13Å
64	V	98.4	Very high	98.2	Very high	49 Å²	49	51.5 Å²	51.5	30%	0.297	27%	0.266	S	S	.	.	H	α-helix	trans	-60.7	-37.4	175.6	168.6	0	0	0	0	111.1	R60 E61 A62 W67 L68 I76	R60-V64 HydrophobicContact CG-CG2 4.48Å; R60-V64 WeakPolarHBondContact O-CB 3.36Å; R60-V64 VanDerWaalsContact O-CG2 3.25Å; R60-V64 WeakPolarHBondContact O-CG2 3.48Å; R60-V64 PolarHBondContact O-N 3.19Å; E61-V64 PolarHBondContact O-N 3.42Å; A62-V64 PolarHBondContact O-N 3.46Å; V64-W67 HydrophobicContact CG1-CE3 4.41Å; V64-W67 PolarHBondContact O-N 3.49Å; V64-L68 HydrophobicContact CG1-CD1 3.86Å; V64-L68 HydrophobicContact CG1-CG 4.22Å; V64-L68 WeakPolarHBondContact O-CB 3.49Å; V64-L68 VanDerWaalsContact O-CG 3.28Å; V64-L68 WeakPolarHBondContact O-CG 3.33Å; V64-L68 PolarHBondContact O-N 3.14Å; V64-I76 HydrophobicContact CG2-CD1 4.01Å
65	S	97.9	Very high	98.2	Very high	61 Å²	61	56.2 Å²	56.2	43%	0.427	28%	0.284	S	S	.	.	H	α-helix	trans	-62.1	-46.2	175.3	-170.3	0	0	0	0	111.9	E61 A62 L63 L68 Q69	E61-S65 WeakPolarHBondContact O-CB 3.49Å; E61-S65 PolarHBondContact O-N 3.37Å; A62-S65 WeakPolarHBondContact O-CB 3.37Å; A62-S65 PolarHBondContact O-N 2.67Å; L63-S65 VanDerWaalsContact C-N 3.26Å; L63-S65 PolarHBondContact O-N 2.86Å; S65-L68 PolarHBondContact O-N 3.23Å; S65-Q69 WeakPolarHBondContact O-CB 3.25Å; S65-Q69 PolarHBondContact O-N 3.39Å
66	V	98.3	Very high	98.2	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61.3	-46.2	176	177.2	0	0	0	0	110.7	I49 A62 L63 L68 Q69 C70 I91 A128 Q129 C132	I49-V66 HydrophobicContact CD1-CG2 3.93Å; A62-V66 PolarHBondContact O-N 3.19Å; A62-V66 VanDerWaalsContact O-N 3.07Å; L63-V66 PolarHBondContact O-N 3.21Å; V66-L68 PolarHBondContact O-N 3.17Å; V66-Q69 WeakPolarHBondContact O-CB 3.39Å; V66-Q69 PolarHBondContact O-N 2.87Å; V66-C70 PolarHBondContact O-N 2.93Å; V66-I91 HydrophobicContact CB-CD1 3.85Å; V66-I91 HydrophobicContact CG1-CD1 3.67Å; V66-A128 HydrophobicContact CG1-CB 4.31Å; V66-A128 WeakPolarHBondContact CG1-O 3.45Å; V66-A128 HydrophobicContact CG2-CB 4.45Å; V66-Q129 HydrophobicContact CG2-CB 3.9Å; V66-C132 HydrophobicContact CG1-CB 3.89Å
67	W	98.1	Very high	98.2	Very high	99 Å²	99	54.3 Å²	54.3	38%	0.375	28%	0.279	S	S	.	.	H	α-helix	trans	-60.4	-46.2	178.5	168.9	65.8	0	0	0	112.5	L63 V64 Q69 C70 T71 S74 I76	L63-W67 PolarHBondContact O-N 2.91Å; V64-W67 HydrophobicContact CG1-CE3 4.41Å; V64-W67 PolarHBondContact O-N 3.49Å; W67-Q69 PolarHBondContact O-N 2.93Å; W67-C70 CarbonylContact O-C 3.55Å; W67-C70 VanDerWaalsContact O-C 3.31Å; W67-C70 PolarHBondContact O-N 2.82Å; W67-T71 VanDerWaalsContact O-CA 3.23Å; W67-T71 WeakPolarHBondContact O-CA 3.3Å; W67-T71 WeakPolarHBondContact O-CG2 3.33Å; W67-T71 PolarHBondContact O-N 3.49Å; W67-S74 WeakPolarHBondContact CA-OG 3.48Å; W67-S74 VanDerWaalsContact CD1-O 3.29Å; W67-I76 HydrophobicContact CB-CD1 3.7Å; W67-I76 HydrophobicContact CB-CG1 3.99Å; W67-I76 HydrophobicContact CG-CD1 4.25Å; W67-I76 HydrophobicContact CG-CG1 4.35Å
68	L	97.9	Very high	98.2	Very high	108 Å²	108	53.8 Å²	53.8	57%	0.565	28%	0.275	S	S	*	.	H	α-helix	trans	-62.4	-33.4	177.3	-74.5	173.4	0	0	0	112.4	V64 S65 V66	V64-L68 HydrophobicContact CG1-CD1 3.86Å; V64-L68 HydrophobicContact CG1-CG 4.22Å; V64-L68 WeakPolarHBondContact O-CB 3.49Å; V64-L68 VanDerWaalsContact O-CG 3.28Å; V64-L68 WeakPolarHBondContact O-CG 3.33Å; V64-L68 PolarHBondContact O-N 3.14Å; S65-L68 PolarHBondContact O-N 3.23Å; V66-L68 PolarHBondContact O-N 3.17Å
69	Q	97.4	Very high	98.2	Very high	65 Å²	65	51.6 Å²	51.6	30%	0.304	27%	0.267	S	S	.	.	H	α-helix	trans	-71.9	-40.1	176.8	-173.3	179.8	-15.8	0	0	111.9	S65 V66 W67 C132 N133 Q136	S65-Q69 WeakPolarHBondContact O-CB 3.25Å; S65-Q69 PolarHBondContact O-N 3.39Å; V66-Q69 WeakPolarHBondContact O-CB 3.39Å; V66-Q69 PolarHBondContact O-N 2.87Å; W67-Q69 PolarHBondContact O-N 2.93Å; Q69-C132 VanDerWaalsContact CG-SG 3.58Å; Q69-N133 PolarHBondContact NE2-OD1 2.87Å; Q69-Q136 PolarHBondContact O-NE2 3.16Å
70	C	97.3	Very high	98.2	Very high	7 Å²	7	52.6 Å²	52.6	5%	0.047	28%	0.278	C	S	.	.	S	Bend	trans	-122.2	47.8	-174.9	-74.3	0	0	0	0	113.2	V66 W67 A72 I73 S74 C132	V66-C70 PolarHBondContact O-N 2.93Å; W67-C70 CarbonylContact O-C 3.55Å; W67-C70 VanDerWaalsContact O-C 3.31Å; W67-C70 PolarHBondContact O-N 2.82Å; C70-A72 PolarHBondContact O-N 2.65Å; C70-A72 VanDerWaalsContact O-N 3.12Å; C70-I73 HydrophobicContact CB-CD1 4.03Å; C70-I73 HydrophobicContact CB-CG1 3.69Å; C70-I73 PolarHBondContact O-N 2.77Å; C70-S74 WeakPolarHBondContact O-CB 3.17Å; C70-S74 PolarHBondContact O-N 3.05Å; C70-S74 VanDerWaalsContact O-N 3.12Å; C70-S74 PolarHBondContact O-OG 2.92Å; C70-C132 HydrophobicContact CB-CB 3.83Å; C70-C132 WeakPolarHBondContact CB-SG 3.41Å; C70-C132 WeakPolarHBondContact SG-CA 3.37Å; C70-C132 WeakPolarHBondContact SG-CB 3.32Å; C70-C132 PolarHBondContact SG-O 3.36Å; C70-C132 CovalentContact SG-SG 2.03Å; C70-C132 PolarHBondContact SG-SG 3.2Å
71	T	97.5	Very high	98.2	Very high	79 Å²	79	52.9 Å²	52.9	49%	0.485	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-57.8	-30.1	-174.5	51.8	0	0	0	0	114.6	W67 I73	W67-T71 VanDerWaalsContact O-CA 3.23Å; W67-T71 WeakPolarHBondContact O-CA 3.3Å; W67-T71 WeakPolarHBondContact O-CG2 3.33Å; W67-T71 PolarHBondContact O-N 3.49Å; T71-I73 VanDerWaalsContact C-N 3.28Å; T71-I73 PolarHBondContact O-N 2.65Å
72	A	97.5	Very high	98.2	Very high	79 Å²	79	48 Å²	48	65%	0.653	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-71.2	-23.7	-179.5	0	0	0	0	0	113.4	C70	C70-A72 PolarHBondContact O-N 2.65Å; C70-A72 VanDerWaalsContact O-N 3.12Å
73	I	98.4	Very high	98.2	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.021	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-125	13.3	-173.5	61.8	153.8	0	0	0	112.9	C70 T71 L93 S94 Y135 I146	C70-I73 HydrophobicContact CB-CD1 4.03Å; C70-I73 HydrophobicContact CB-CG1 3.69Å; C70-I73 PolarHBondContact O-N 2.77Å; T71-I73 VanDerWaalsContact C-N 3.28Å; T71-I73 PolarHBondContact O-N 2.65Å; I73-L93 VanDerWaalsContact O-CA 3.25Å; I73-L93 WeakPolarHBondContact O-CA 3.24Å; I73-S94 CarbonylContact C-O 3.48Å; I73-S94 WeakPolarHBondContact CA-O 3.32Å; I73-S94 WeakPolarHBondContact CB-O 3.45Å; I73-S94 PolarHBondContact O-N 3.2Å; I73-S94 VanDerWaalsContact O-N 3.1Å; I73-Y135 HydrophobicContact CD1-CD1 3.49Å; I73-Y135 VanDerWaalsContact CD1-CD1 3.49Å; I73-Y135 HydrophobicContact CD1-CD2 4.03Å; I73-Y135 HydrophobicContact CD1-CE1 3.94Å; I73-Y135 HydrophobicContact CD1-CE2 4.43Å; I73-Y135 HydrophobicContact CD1-CG 3.55Å; I73-Y135 HydrophobicContact CG1-CD1 4.3Å; I73-Y135 HydrophobicContact CG1-CE1 4.37Å; I73-Y135 HydrophobicContact CG2-CD1 4.44Å; I73-Y135 HydrophobicContact CG2-CE1 3.71Å; I73-Y135 HydrophobicContact CG2-CE2 4.31Å; I73-I146 HydrophobicContact CB-CG2 4.21Å; I73-I146 HydrophobicContact CD1-CD1 3.88Å; I73-I146 HydrophobicContact CD1-CG2 4.22Å; I73-I146 HydrophobicContact CG2-CG2 4.41Å
74	S	98.6	Very high	98.2	Very high	3 Å²	3	58.9 Å²	58.9	2%	0.021	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	151.7	-176.6	66.9	0	0	0	0	113.7	W67 C70 E92	W67-S74 WeakPolarHBondContact CA-OG 3.48Å; W67-S74 VanDerWaalsContact CD1-O 3.29Å; C70-S74 WeakPolarHBondContact O-CB 3.17Å; C70-S74 PolarHBondContact O-N 3.05Å; C70-S74 VanDerWaalsContact O-N 3.12Å; C70-S74 PolarHBondContact O-OG 2.92Å; S74-E92 CarbonylContact C-O 3.59Å; S74-E92 WeakPolarHBondContact CA-O 3.49Å; S74-E92 WeakPolarHBondContact CB-O 3.49Å
75	R	98.5	Very high	98.2	Very high	107 Å²	107	58 Å²	58	40%	0.404	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	138.5	177.5	174.3	-177.3	173	-164.9	-4.2	109.7	E92 P97 G98	R75-E92 HydrophobicContact CB-CB 4.31Å; R75-E92 PolarHBondContact N-O 3.08Å; R75-E92 WeakPolarHBondContact O-CB 3.44Å; R75-E92 PolarHBondContact O-N 3.37Å; R75-P97 HydrophobicContact CB-CB 3.98Å; R75-G98 PolarHBondContact NH1-O 2.87Å
76	I	98.6	Very high	98.2	Very high	45 Å²	45	57.6 Å²	57.6	23%	0.231	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	135.5	169.4	-59.1	171.2	0	0	0	108.7	L63 V64 W67 L89 V90 I91	L63-I76 HydrophobicContact CB-CD1 3.96Å; L63-I76 WeakPolarHBondContact O-CD1 3.45Å; V64-I76 HydrophobicContact CG2-CD1 4.01Å; W67-I76 HydrophobicContact CB-CD1 3.7Å; W67-I76 HydrophobicContact CB-CG1 3.99Å; W67-I76 HydrophobicContact CG-CD1 4.25Å; W67-I76 HydrophobicContact CG-CG1 4.35Å; I76-L89 HydrophobicContact CG2-CD2 4.27Å; I76-V90 WeakPolarHBondContact CA-O 3.34Å; I76-I91 HydrophobicContact CG1-CB 4.5Å; I76-I91 HydrophobicContact CG1-CD1 4.41Å; I76-I91 HydrophobicContact CG1-CG1 4.26Å
77	Y	98.8	Very high	98.3	Very high	39 Å²	39	59.7 Å²	59.7	15%	0.153	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	175.2	169.5	67.5	-89.5	0	0	0	110.7	V79 V90 E92 H152 W235	Y77-V79 HydrophobicContact CD2-CG1 4.37Å; Y77-V79 HydrophobicContact CE2-CG1 3.79Å; Y77-V90 HydrophobicContact CD1-CB 4.3Å; Y77-V90 HydrophobicContact CD1-CG1 4.46Å; Y77-V90 HydrophobicContact CD2-CB 4.29Å; Y77-V90 HydrophobicContact CE1-CB 3.94Å; Y77-V90 HydrophobicContact CE1-CG1 3.71Å; Y77-V90 HydrophobicContact CE2-CB 3.89Å; Y77-V90 HydrophobicContact CE2-CG1 4.25Å; Y77-V90 HydrophobicContact CE2-CG2 4.07Å; Y77-V90 HydrophobicContact CG-CB 4.48Å; Y77-V90 PolarHBondContact N-O 2.82Å; Y77-V90 PolarHBondContact O-N 3.29Å; Y77-E92 HydrophobicContact CD1-CB 4.49Å; Y77-E92 HydrophobicContact CE1-CB 4.09Å; Y77-H152 AromaticContact CE1-CE1 3.98Å; Y77-H152 AromaticContact CE1-ND1 3.57Å; Y77-H152 AromaticContact CZ-ND1 3.67Å; Y77-H152 PolarHBondContact OH-CE1 3.18Å; Y77-H152 PolarHBondContact OH-ND1 2.78Å; Y77-W235 AromaticContact CE2-NE1 3.97Å; Y77-W235 AromaticContact CZ-NE1 3.88Å; Y77-W235 PolarHBondContact OH-NE1 2.61Å
78	T	98.4	Very high	98.3	Very high	60 Å²	60	55 Å²	55	37%	0.368	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	140.5	174.6	-175.5	0	0	0	0	110.6	G80 L88	T78-G80 PolarHBondContact OG1-N 2.82Å; T78-G80 PolarHBondContact OG1-O 3Å; T78-L88 VanDerWaalsContact CA-O 3.24Å; T78-L88 WeakPolarHBondContact CA-O 3.28Å; T78-L88 PolarHBondContact OG1-N 2.97Å; T78-L88 PolarHBondContact OG1-O 2.98Å
79	V	97.8	Very high	98.3	Very high	31 Å²	31	50.5 Å²	50.5	19%	0.188	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-12	175.7	-60.3	0	0	0	0	112.6	Y77 L88 V90 M154 A231 W235	Y77-V79 HydrophobicContact CD2-CG1 4.37Å; Y77-V79 HydrophobicContact CE2-CG1 3.79Å; V79-L88 HydrophobicContact CG2-CB 3.53Å; V79-L88 HydrophobicContact CG2-CD1 4.1Å; V79-L88 HydrophobicContact CG2-CG 4.46Å; V79-L88 PolarHBondContact N-O 3.19Å; V79-L88 VanDerWaalsContact N-O 3.11Å; V79-V90 HydrophobicContact CG1-CG2 3.81Å; V79-M154 HydrophobicContact CB-CE 4.4Å; V79-M154 HydrophobicContact CG1-CE 4.02Å; V79-M154 HydrophobicContact CG2-CE 3.49Å; V79-M154 VanDerWaalsContact CG2-CE 3.49Å; V79-A231 HydrophobicContact CG2-CB 4.16Å; V79-W235 HydrophobicContact CB-CB 4.24Å; V79-W235 HydrophobicContact CB-CG 4.38Å; V79-W235 HydrophobicContact CG1-CB 3.92Å; V79-W235 HydrophobicContact CG1-CD2 3.83Å; V79-W235 HydrophobicContact CG1-CE3 4.49Å; V79-W235 HydrophobicContact CG1-CG 3.54Å
80	G	98.1	Very high	98.4	Very high	24 Å²	24	47.4 Å²	47.4	25%	0.247	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.6	-165.9	-173.4	0	0	0	0	0	112	T78 L88	T78-G80 PolarHBondContact OG1-N 2.82Å; T78-G80 PolarHBondContact OG1-O 3Å; G80-L88 PolarHBondContact O-N 3.24Å
81	R	98.7	Very high	98.5	Very high	136 Å²	136	47.1 Å²	47.1	51%	0.513	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	146.1	176.3	-66.3	179.4	-178	-85.2	-13.1	110	G85 R86 E87	R81-G85 PolarHBondContact NH1-O 3.25Å; R81-R86 CarbonylContact C-O 3.45Å; R81-R86 WeakPolarHBondContact CA-O 3.12Å; R81-E87 IonicContact CZ-OE1 3.04Å; R81-E87 IonicContact NH1-OE1 3.69Å; R81-E87 IonicContact NH2-OE1 3.82Å; R81-E87 PolarHBondContact NH2-OE1 2.84Å
82	S	98.8	Very high	98.6	Very high	6 Å²	6	43.3 Å²	43.3	4%	0.042	22%	0.224	C	C	.	.			trans	-63.7	172.2	166.3	70.2	0	0	0	0	111.4	E84 G85 R86 D160 E228	S82-E84 VanDerWaalsContact C-N 3.3Å; S82-E84 PolarHBondContact O-N 3.39Å; S82-G85 PolarHBondContact O-N 2.75Å; S82-G85 PolarHBondContact OG-N 3.33Å; S82-R86 PolarHBondContact N-O 2.91Å; S82-R86 WeakPolarHBondContact OG-CB 3.5Å; S82-R86 PolarHBondContact OG-N 3.29Å; S82-R86 PolarHBondContact OG-O 3.14Å; S82-D160 VanDerWaalsContact CB-CG 3.49Å; S82-D160 VanDerWaalsContact CB-OD1 3.25Å; S82-D160 WeakPolarHBondContact CB-OD1 3.21Å; S82-D160 VanDerWaalsContact CB-OD2 3.28Å; S82-D160 WeakPolarHBondContact CB-OD2 3.31Å; S82-D160 PolarHBondContact OG-OD1 3.16Å; S82-D160 PolarHBondContact OG-OD2 3.15Å; S82-D160 VanDerWaalsContact OG-OD2 3.08Å; S82-E228 VanDerWaalsContact CA-OE1 3.25Å; S82-E228 WeakPolarHBondContact CA-OE1 3.12Å; S82-E228 VanDerWaalsContact CB-OE1 3.31Å; S82-E228 WeakPolarHBondContact CB-OE1 3.4Å
83	F	98.4	Very high	98.6	Very high	116 Å²	116	39.6 Å²	39.6	51%	0.509	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-38.2	177.7	-176.3	-99.6	0	0	0	113.4	G85 D160 A182 Q183 P227 E228	F83-G85 PolarHBondContact O-N 2.91Å; F83-D160 PolarHBondContact N-OD2 3.2Å; F83-A182 HydrophobicContact CB-CB 4.16Å; F83-A182 HydrophobicContact CD1-CB 3.8Å; F83-A182 HydrophobicContact CG-CB 4.4Å; F83-Q183 HydrophobicContact CB-CG 4.1Å; F83-Q183 HydrophobicContact CD1-CG 3.77Å; F83-Q183 HydrophobicContact CD2-CG 3.33Å; F83-Q183 HydrophobicContact CE1-CG 3.95Å; F83-Q183 VanDerWaalsContact CE2-CD 3.45Å; F83-Q183 HydrophobicContact CE2-CG 3.54Å; F83-Q183 HydrophobicContact CG-CG 3.44Å; F83-Q183 VanDerWaalsContact CG-CG 3.44Å; F83-Q183 HydrophobicContact CZ-CG 3.84Å; F83-P227 HydrophobicContact CB-CG 3.92Å; F83-P227 HydrophobicContact CD2-CG 4.37Å; F83-E228 PolarHBondContact N-OE1 2.81Å
84	E	98.6	Very high	98.6	Very high	118 Å²	118	39.4 Å²	39.4	55%	0.551	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	8.4	175.2	-62.2	-173.4	159.3	0	0	113.5	S82 R86 D160 A182	S82-E84 VanDerWaalsContact C-N 3.3Å; S82-E84 PolarHBondContact O-N 3.39Å; E84-R86 IonicContact OE2-CZ 3.92Å; E84-R86 IonicContact OE2-NH1 3.65Å; E84-R86 PolarHBondContact OE2-NH1 2.93Å; E84-R86 IonicContact OE2-NH2 3.68Å; E84-R86 PolarHBondContact OE2-NH2 3.01Å; E84-D160 WeakPolarHBondContact CB-OD2 3.23Å; E84-D160 HydrophobicContact CG-CB 4.43Å; E84-D160 WeakPolarHBondContact CG-OD2 3.33Å; E84-D160 PolarHBondContact N-OD2 3.49Å; E84-A182 HydrophobicContact CG-CB 3.71Å
85	G	98.5	Very high	98.6	Very high	32 Å²	32	42.3 Å²	42.3	33%	0.33	21%	0.208	S	C	.	.	S	Bend	trans	87.8	8.6	171	0	0	0	0	0	115.7	R81 S82 F83	R81-G85 PolarHBondContact NH1-O 3.25Å; S82-G85 PolarHBondContact O-N 2.75Å; S82-G85 PolarHBondContact OG-N 3.33Å; F83-G85 PolarHBondContact O-N 2.91Å
86	R	98.8	Very high	98.6	Very high	52 Å²	52	40.3 Å²	40.3	20%	0.196	21%	0.205	C	C	.	.			trans	-71.9	134.4	173.8	-62.5	-177.3	-177.3	77.3	1.1	109.5	Y56 R81 S82 E84 L88 P159 D160	Y56-R86 HydrophobicContact CD1-CB 4.47Å; Y56-R86 HydrophobicContact CD1-CG 4.17Å; Y56-R86 HydrophobicContact CD2-CB 4.13Å; Y56-R86 HydrophobicContact CD2-CG 4.36Å; Y56-R86 HydrophobicContact CE1-CB 4.14Å; Y56-R86 HydrophobicContact CE1-CG 4.23Å; Y56-R86 HydrophobicContact CE2-CB 3.79Å; Y56-R86 HydrophobicContact CE2-CG 4.43Å; Y56-R86 HydrophobicContact CG-CB 4.46Å; Y56-R86 HydrophobicContact CG-CG 4.23Å; R81-R86 CarbonylContact C-O 3.45Å; R81-R86 WeakPolarHBondContact CA-O 3.12Å; S82-R86 PolarHBondContact N-O 2.91Å; S82-R86 WeakPolarHBondContact OG-CB 3.5Å; S82-R86 PolarHBondContact OG-N 3.29Å; S82-R86 PolarHBondContact OG-O 3.14Å; E84-R86 IonicContact OE2-CZ 3.92Å; E84-R86 IonicContact OE2-NH1 3.65Å; E84-R86 PolarHBondContact OE2-NH1 2.93Å; E84-R86 IonicContact OE2-NH2 3.68Å; E84-R86 PolarHBondContact OE2-NH2 3.01Å; R86-L88 PolarHBondContact O-N 2.66Å; R86-P159 HydrophobicContact CB-CB 4.3Å; R86-P159 HydrophobicContact CB-CG 3.88Å; R86-D160 WeakPolarHBondContact CD-OD1 3.45Å; R86-D160 IonicContact CZ-OD1 3.56Å; R86-D160 VanDerWaalsContact NH1-CG 3.28Å; R86-D160 IonicContact NH1-OD1 3.76Å; R86-D160 PolarHBondContact NH1-OD1 2.91Å
87	E	98.8	Very high	98.6	Very high	43 Å²	43	40 Å²	40	20%	0.201	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	132.7	177.9	-54.9	175.6	141.8	0	0	109.7	Y56 R60 R81 L89	Y56-E87 WeakPolarHBondContact CE2-O 3.38Å; Y56-E87 WeakPolarHBondContact OH-CA 3.36Å; Y56-E87 VanDerWaalsContact OH-CB 3.22Å; Y56-E87 WeakPolarHBondContact OH-CB 3.44Å; Y56-E87 PolarHBondContact OH-N 2.89Å; Y56-E87 PolarHBondContact OH-O 3.34Å; Y56-E87 VanDerWaalsContact OH-O 3.06Å; R60-E87 IonicContact NH1-OE2 3.51Å; R81-E87 IonicContact CZ-OE1 3.04Å; R81-E87 IonicContact NH1-OE1 3.69Å; R81-E87 IonicContact NH2-OE1 3.82Å; R81-E87 PolarHBondContact NH2-OE1 2.84Å; E87-L89 HydrophobicContact CB-CD2 3.89Å; E87-L89 HydrophobicContact CB-CG 4.2Å; E87-L89 PolarHBondContact O-N 2.77Å
88	L	98.9	Very high	98.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	93.6	171.3	-58.3	179.4	0	0	0	107.1	T78 V79 G80 R86 L157 P159 E228 A231	T78-L88 VanDerWaalsContact CA-O 3.24Å; T78-L88 WeakPolarHBondContact CA-O 3.28Å; T78-L88 PolarHBondContact OG1-N 2.97Å; T78-L88 PolarHBondContact OG1-O 2.98Å; V79-L88 HydrophobicContact CG2-CB 3.53Å; V79-L88 HydrophobicContact CG2-CD1 4.1Å; V79-L88 HydrophobicContact CG2-CG 4.46Å; V79-L88 PolarHBondContact N-O 3.19Å; V79-L88 VanDerWaalsContact N-O 3.11Å; G80-L88 PolarHBondContact O-N 3.24Å; R86-L88 PolarHBondContact O-N 2.66Å; L88-L157 HydrophobicContact CD1-CD1 4.24Å; L88-L157 VanDerWaalsContact CD2-O 3.31Å; L88-L157 WeakPolarHBondContact CD2-O 3.33Å; L88-P159 HydrophobicContact CD2-CG 3.92Å; L88-E228 HydrophobicContact CD1-CB 4.31Å; L88-E228 HydrophobicContact CD1-CG 4.37Å; L88-E228 HydrophobicContact CD2-CG 4.39Å; L88-A231 HydrophobicContact CD1-CB 3.77Å
89	L	98.9	Very high	98.3	Very high	15 Å²	15	40.3 Å²	40.3	8%	0.079	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	137.3	-170.3	-66	174.6	0	0	0	111.2	L59 R60 L63 I76 E87	L59-L89 HydrophobicContact CD2-CD1 3.98Å; R60-L89 HydrophobicContact CB-CD1 4Å; R60-L89 HydrophobicContact CG-CD1 4.13Å; L63-L89 HydrophobicContact CD1-CB 3.99Å; L63-L89 HydrophobicContact CD1-CD1 4.46Å; I76-L89 HydrophobicContact CG2-CD2 4.27Å; E87-L89 HydrophobicContact CB-CD2 3.89Å; E87-L89 HydrophobicContact CB-CG 4.2Å; E87-L89 PolarHBondContact O-N 2.77Å
90	V	98.9	Very high	98.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	133.1	172.2	-177.7	0	0	0	0	108.3	I76 Y77 V79 H152 I153 M154 W235	I76-V90 WeakPolarHBondContact CA-O 3.34Å; Y77-V90 HydrophobicContact CD1-CB 4.3Å; Y77-V90 HydrophobicContact CD1-CG1 4.46Å; Y77-V90 HydrophobicContact CD2-CB 4.29Å; Y77-V90 HydrophobicContact CE1-CB 3.94Å; Y77-V90 HydrophobicContact CE1-CG1 3.71Å; Y77-V90 HydrophobicContact CE2-CB 3.89Å; Y77-V90 HydrophobicContact CE2-CG1 4.25Å; Y77-V90 HydrophobicContact CE2-CG2 4.07Å; Y77-V90 HydrophobicContact CG-CB 4.48Å; Y77-V90 PolarHBondContact N-O 2.82Å; Y77-V90 PolarHBondContact O-N 3.29Å; V79-V90 HydrophobicContact CG1-CG2 3.81Å; V90-H152 HydrophobicContact CG1-CB 3.97Å; V90-I153 VanDerWaalsContact CA-O 3.32Å; V90-I153 WeakPolarHBondContact CA-O 3.38Å; V90-M154 HydrophobicContact CG2-CB 4.09Å; V90-M154 HydrophobicContact CG2-CE 3.62Å; V90-M154 HydrophobicContact CG2-CG 4.35Å; V90-W235 HydrophobicContact CG1-CZ2 4.25Å; V90-W235 HydrophobicContact CG2-CZ2 4.29Å
91	I	98.9	Very high	98.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	124.9	163.6	-170.1	164.1	0	0	0	108.8	L63 V66 I76 L93 A128 I153	L63-I91 HydrophobicContact CD2-CB 4.21Å; L63-I91 HydrophobicContact CD2-CD1 4.48Å; L63-I91 HydrophobicContact CD2-CG2 3.87Å; V66-I91 HydrophobicContact CB-CD1 3.85Å; V66-I91 HydrophobicContact CG1-CD1 3.67Å; I76-I91 HydrophobicContact CG1-CB 4.5Å; I76-I91 HydrophobicContact CG1-CD1 4.41Å; I76-I91 HydrophobicContact CG1-CG1 4.26Å; I91-L93 HydrophobicContact CG1-CD1 4.37Å; I91-L93 HydrophobicContact CG2-CD1 4.37Å; I91-A128 HydrophobicContact CD1-CB 4.46Å; I91-A128 HydrophobicContact CG2-CB 3.83Å; I91-I153 HydrophobicContact CG2-CB 3.85Å; I91-I153 HydrophobicContact CG2-CG2 4.36Å; I91-I153 PolarHBondContact N-O 2.96Å; I91-I153 PolarHBondContact O-N 3.36Å
92	E	98.9	Very high	98.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	138.2	175.3	-176.5	-177.3	147.7	0	0	109.4	S74 R75 Y77 P97 G98 R150 I151 H152	S74-E92 CarbonylContact C-O 3.59Å; S74-E92 WeakPolarHBondContact CA-O 3.49Å; S74-E92 WeakPolarHBondContact CB-O 3.49Å; R75-E92 HydrophobicContact CB-CB 4.31Å; R75-E92 PolarHBondContact N-O 3.08Å; R75-E92 WeakPolarHBondContact O-CB 3.44Å; R75-E92 PolarHBondContact O-N 3.37Å; Y77-E92 HydrophobicContact CD1-CB 4.49Å; Y77-E92 HydrophobicContact CE1-CB 4.09Å; E92-P97 VanDerWaalsContact OE1-CA 3.3Å; E92-P97 WeakPolarHBondContact OE1-CA 3.4Å; E92-G98 WeakPolarHBondContact OE1-CA 3.45Å; E92-G98 PolarHBondContact OE1-N 3.4Å; E92-R150 HydrophobicContact CG-CG 4.34Å; E92-R150 IonicContact OE1-CZ 3.8Å; E92-R150 VanDerWaalsContact OE1-CZ 3.25Å; E92-R150 IonicContact OE1-NE 3.1Å; E92-R150 PolarHBondContact OE1-NE 2.92Å; E92-R150 IonicContact OE1-NH2 2.61Å; E92-R150 PolarHBondContact OE1-NH2 2.89Å; E92-R150 IonicContact OE2-CZ 3.33Å; E92-R150 IonicContact OE2-NE 3.52Å; E92-R150 IonicContact OE2-NH2 2.87Å; E92-R150 PolarHBondContact OE2-NH2 2.84Å; E92-I151 CarbonylContact C-O 3.54Å; E92-I151 VanDerWaalsContact CA-O 3.26Å; E92-I151 WeakPolarHBondContact CA-O 3.24Å; E92-H152 IonicContact OE2-CE1 2.77Å
93	L	98.8	Very high	98.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	124.3	170.1	-59.2	95.7	0	0	0	110.2	I73 I91 L131 I151 I153	I73-L93 VanDerWaalsContact O-CA 3.25Å; I73-L93 WeakPolarHBondContact O-CA 3.24Å; I91-L93 HydrophobicContact CG1-CD1 4.37Å; I91-L93 HydrophobicContact CG2-CD1 4.37Å; L93-L131 HydrophobicContact CD1-CD1 4.32Å; L93-L131 HydrophobicContact CD2-CB 3.78Å; L93-L131 HydrophobicContact CD2-CD1 4.28Å; L93-I151 HydrophobicContact CB-CB 4.46Å; L93-I151 PolarHBondContact N-O 3.43Å; L93-I151 PolarHBondContact O-N 3.47Å; L93-I153 HydrophobicContact CD1-CD1 3.95Å
94	S	98.8	Very high	98.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.197	C	C	.	.			trans	-166.5	157.9	177.8	162.5	0	0	0	0	107.2	I73 N96 P97 I146	I73-S94 CarbonylContact C-O 3.48Å; I73-S94 WeakPolarHBondContact CA-O 3.32Å; I73-S94 WeakPolarHBondContact CB-O 3.45Å; I73-S94 PolarHBondContact O-N 3.2Å; I73-S94 VanDerWaalsContact O-N 3.1Å; S94-N96 PolarHBondContact O-N 3.04Å; S94-N96 PolarHBondContact OG-N 3.4Å; S94-P97 WeakPolarHBondContact O-CD 3.13Å; S94-I146 WeakPolarHBondContact CA-O 3.3Å
95	D	98	Very high	98.3	Very high	65 Å²	65	29 Å²	29	35%	0.348	17%	0.171	S	C	.	.	S	Bend	trans	-70.9	-12.7	169.5	65.3	-42	0	0	0	114	I146 H147	D95-I146 PolarHBondContact N-O 3.22Å; D95-I146 VanDerWaalsContact N-O 3.16Å; D95-H147 WeakPolarHBondContact OD1-CA 3.26Å
96	N	98.1	Very high	98.3	Very high	65 Å²	65	27.4 Å²	27.4	35%	0.348	16%	0.155	S	C	.	.	S	Bend	trans	-128.3	63.8	173.4	-159.3	1.1	0	0	0	112.8	S94 G98 E101	S94-N96 PolarHBondContact O-N 3.04Å; S94-N96 PolarHBondContact OG-N 3.4Å; N96-G98 PolarHBondContact O-N 2.81Å; N96-E101 VanDerWaalsContact CB-CD 3.5Å; N96-E101 HydrophobicContact CB-CG 4.22Å; N96-E101 VanDerWaalsContact CB-OE2 3.22Å; N96-E101 WeakPolarHBondContact CB-OE2 3.17Å; N96-E101 VanDerWaalsContact ND2-CD 3.25Å; N96-E101 PolarHBondContact ND2-OE1 2.95Å
97	P	98	Very high	98.3	Very high	38 Å²	38	25 Å²	25	25%	0.247	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	128.5	-169.3	28.8	-35.4	0	0	0	112.2	R75 E92 S94	R75-P97 HydrophobicContact CB-CB 3.98Å; E92-P97 VanDerWaalsContact OE1-CA 3.3Å; E92-P97 WeakPolarHBondContact OE1-CA 3.4Å; S94-P97 WeakPolarHBondContact O-CD 3.13Å
98	G	97.2	Very high	98.3	Very high	23 Å²	23	22.9 Å²	22.9	24%	0.237	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.3	-1	172.6	0	0	0	0	0	115.3	R75 E92 N96	R75-G98 PolarHBondContact NH1-O 2.87Å; E92-G98 WeakPolarHBondContact OE1-CA 3.45Å; E92-G98 PolarHBondContact OE1-N 3.4Å; N96-G98 PolarHBondContact O-N 2.81Å
99	V	95.5	Very high	98.3	Very high	83 Å²	83	23 Å²	23	50%	0.503	14%	0.136	S	C	.	.	S	Bend	trans	-129.3	139.2	178.5	-177.1	0	0	0	0	108.3	R150	V99-R150 WeakPolarHBondContact O-CD 3.43Å; V99-R150 PolarHBondContact O-NE 3.26Å
100	H	97.4	Very high	98.3	Very high	35 Å²	35	22.3 Å²	22.3	16%	0.162	13%	0.133	C	C	.	.	P	Polyproline II helix	trans	-79.7	125.4	167.8	173.9	65.4	0	0	0	109	E104 E106 D409 W411	H100-E104 PolarHBondContact CE1-O 2.77Å; H100-E104 VanDerWaalsContact CE1-O 3.3Å; H100-E106 WeakPolarHBondContact CB-OE1 3.35Å; H100-E106 IonicContact CE1-OE1 2.82Å; H100-E106 IonicContact CG-OE1 3.55Å; H100-E106 IonicContact ND1-OE1 2.97Å; H100-E106 PolarHBondContact ND1-OE1 3.01Å; H100-D409 IonicContact CE1-OD2 3.78Å; H100-D409 IonicContact NE2-OD2 2.82Å; H100-D409 PolarHBondContact NE2-OD2 2.88Å; H100-D409 VanDerWaalsContact NE2-OD2 3.1Å; H100-W411 AromaticContact CE1-CH2 3.59Å; H100-W411 AromaticContact NE2-CH2 3.88Å
101	E	98.2	Very high	98.3	Very high	60 Å²	60	22.3 Å²	22.3	28%	0.28	13%	0.133	S	C	.	.	P	Polyproline II helix	trans	-97.5	125.5	176.5	-61.2	-168	103.5	0	0	110.6	N96 G103 E104	N96-E101 VanDerWaalsContact CB-CD 3.5Å; N96-E101 HydrophobicContact CB-CG 4.22Å; N96-E101 VanDerWaalsContact CB-OE2 3.22Å; N96-E101 WeakPolarHBondContact CB-OE2 3.17Å; N96-E101 VanDerWaalsContact ND2-CD 3.25Å; N96-E101 PolarHBondContact ND2-OE1 2.95Å; E101-G103 PolarHBondContact O-N 3.01Å; E101-E104 HydrophobicContact CB-CB 4.02Å; E101-E104 WeakPolarHBondContact O-CB 3.39Å; E101-E104 PolarHBondContact O-N 2.93Å
102	P	97.8	Very high	98.3	Very high	70 Å²	70	22.3 Å²	22.3	46%	0.455	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	124.8	-174.7	-25.2	32.9	0	0	0	112.8	F379 D407 D409	P102-F379 HydrophobicContact CB-CE1 3.74Å; P102-F379 HydrophobicContact CB-CZ 4.11Å; P102-D407 HydrophobicContact CB-CB 3.87Å; P102-D407 HydrophobicContact CG-CB 3.72Å; P102-D409 VanDerWaalsContact CA-OD2 3.31Å; P102-D409 WeakPolarHBondContact CA-OD2 3.42Å
103	G	97.8	Very high	98.3	Very high	13 Å²	13	22.4 Å²	22.4	13%	0.134	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.3	-5.3	-176.7	0	0	0	0	0	115.4	E101 K377 D409 W411	E101-G103 PolarHBondContact O-N 3.01Å; G103-K377 PolarHBondContact O-NZ 3.26Å; G103-K377 VanDerWaalsContact O-NZ 3.08Å; G103-D409 PolarHBondContact N-OD2 2.68Å; G103-W411 PolarHBondContact O-NE1 3.02Å
104	E	98.6	Very high	98.3	Very high	14 Å²	14	22.5 Å²	22.5	7%	0.065	13%	0.134	C	C	.	.			trans	-85.6	116	168.8	-167.2	-169.1	-151.9	0	0	110.1	H100 E101 T149 R150 W411	H100-E104 PolarHBondContact CE1-O 2.77Å; H100-E104 VanDerWaalsContact CE1-O 3.3Å; E101-E104 HydrophobicContact CB-CB 4.02Å; E101-E104 WeakPolarHBondContact O-CB 3.39Å; E101-E104 PolarHBondContact O-N 2.93Å; E104-T149 PolarHBondContact OE1-N 3.25Å; E104-R150 PolarHBondContact OE1-N 2.89Å; E104-W411 VanDerWaalsContact C-CZ2 3.49Å; E104-W411 WeakPolarHBondContact O-CZ2 3.29Å
105	P	98.8	Very high	98.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.134	C	C	.	.			trans	-72.9	146.2	-179.9	31.6	-36.4	0	0	0	112.5	S148 T149 R150 V242 I372 W411	P105-S148 WeakPolarHBondContact CD-O 3.05Å; P105-T149 WeakPolarHBondContact O-CG2 3.38Å; P105-R150 PolarHBondContact O-N 3.36Å; P105-R150 VanDerWaalsContact O-N 3.15Å; P105-V242 HydrophobicContact CB-CB 4.48Å; P105-V242 HydrophobicContact CB-CG2 3.99Å; P105-I372 HydrophobicContact CB-CD1 3.69Å; P105-I372 HydrophobicContact CB-CG1 3.78Å; P105-I372 HydrophobicContact CG-CD1 4.17Å; P105-I372 HydrophobicContact CG-CG1 4.13Å; P105-I372 HydrophobicContact CG-CG2 4.33Å; P105-W411 HydrophobicContact CB-CD2 4.33Å; P105-W411 HydrophobicContact CB-CG 4.21Å
106	E	98.9	Very high	98.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	122.3	178.8	-59.6	-81.3	-171.9	0	0	110.3	H100 R150 H152 I239 P240 F241 V242 I372	H100-E106 WeakPolarHBondContact CB-OE1 3.35Å; H100-E106 IonicContact CE1-OE1 2.82Å; H100-E106 IonicContact CG-OE1 3.55Å; H100-E106 IonicContact ND1-OE1 2.97Å; H100-E106 PolarHBondContact ND1-OE1 3.01Å; E106-R150 WeakPolarHBondContact OE1-CD 2.96Å; E106-R150 IonicContact OE1-CZ 3.98Å; E106-R150 IonicContact OE1-NH1 3.61Å; E106-R150 PolarHBondContact OE1-NH1 3.11Å; E106-R150 VanDerWaalsContact OE2-CB 3.22Å; E106-R150 WeakPolarHBondContact OE2-CB 3.35Å; E106-R150 WeakPolarHBondContact OE2-CD 3.25Å; E106-R150 WeakPolarHBondContact OE2-CG 3.42Å; E106-R150 IonicContact OE2-NH1 2.81Å; E106-H152 IonicContact OE2-CD2 3.68Å; E106-H152 IonicContact OE2-NE2 3.58Å; E106-H152 PolarHBondContact OE2-NE2 2.92Å; E106-I239 HydrophobicContact CB-CG2 3.68Å; E106-I239 HydrophobicContact CG-CG2 3.55Å; E106-P240 HydrophobicContact CG-CG 3.89Å; E106-F241 HydrophobicContact CB-CD1 3.97Å; E106-F241 HydrophobicContact CB-CE1 4.4Å; E106-F241 WeakPolarHBondContact O-CA 3.31Å; E106-V242 PolarHBondContact O-N 3.18Å; E106-I372 WeakPolarHBondContact O-CD1 3.17Å
107	F	98.9	Very high	98.3	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	147.2	179.1	-179.1	-86.7	0	0	0	111.1	Y109 T149 R150 I151 H152 L243 Y368 L369 I372	F107-Y109 HydrophobicContact CD1-CD2 4.47Å; F107-Y109 HydrophobicContact CE1-CD1 4.35Å; F107-Y109 AromaticContact CE1-CD2 3.31Å; F107-Y109 HydrophobicContact CE1-CD2 3.31Å; F107-Y109 AromaticContact CE1-CE2 3.51Å; F107-Y109 HydrophobicContact CE1-CE2 3.51Å; F107-Y109 AromaticContact CE1-CG 3.71Å; F107-Y109 HydrophobicContact CE1-CG 3.71Å; F107-Y109 HydrophobicContact CZ-CD1 4.26Å; F107-Y109 AromaticContact CZ-CD2 3.75Å; F107-Y109 HydrophobicContact CZ-CD2 3.75Å; F107-Y109 HydrophobicContact CZ-CE1 4.1Å; F107-Y109 AromaticContact CZ-CE2 3.5Å; F107-Y109 HydrophobicContact CZ-CE2 3.5Å; F107-Y109 VanDerWaalsContact CZ-CE2 3.5Å; F107-Y109 HydrophobicContact CZ-CG 4.06Å; F107-Y109 AromaticContact CZ-CZ 3.66Å; F107-T149 HydrophobicContact CB-CG2 3.83Å; F107-R150 PolarHBondContact N-O 2.8Å; F107-I151 HydrophobicContact CD1-CG2 4.06Å; F107-H152 WeakPolarHBondContact O-CB 3.44Å; F107-H152 PolarHBondContact O-N 3.1Å; F107-L243 HydrophobicContact CD2-CB 3.98Å; F107-L243 HydrophobicContact CD2-CD2 4.17Å; F107-L243 HydrophobicContact CD2-CG 4.12Å; F107-L243 HydrophobicContact CE2-CB 4.28Å; F107-L243 HydrophobicContact CE2-CD2 3.94Å; F107-L243 HydrophobicContact CE2-CG 3.92Å; F107-Y368 AromaticContact CE2-CD1 3.96Å; F107-Y368 HydrophobicContact CE2-CD1 3.96Å; F107-Y368 AromaticContact CE2-CE1 3.94Å; F107-Y368 HydrophobicContact CE2-CE1 3.94Å; F107-Y368 HydrophobicContact CZ-CD1 4Å; F107-Y368 HydrophobicContact CZ-CE1 4.16Å; F107-L369 HydrophobicContact CB-CD1 3.83Å; F107-L369 HydrophobicContact CD1-CD1 3.43Å; F107-L369 VanDerWaalsContact CD1-CD1 3.43Å; F107-L369 HydrophobicContact CD2-CD1 3.53Å; F107-L369 HydrophobicContact CE1-CD1 3.84Å; F107-L369 HydrophobicContact CE2-CB 4.5Å; F107-L369 HydrophobicContact CE2-CD1 3.92Å; F107-L369 HydrophobicContact CG-CD1 3.28Å; F107-L369 HydrophobicContact CZ-CB 4.48Å; F107-L369 HydrophobicContact CZ-CD1 4.07Å; F107-I372 HydrophobicContact CB-CD1 3.58Å; F107-I372 HydrophobicContact CD2-CB 4.47Å; F107-I372 HydrophobicContact CD2-CD1 4.11Å; F107-I372 HydrophobicContact CG-CD1 4.34Å
108	K	98.9	Very high	98.3	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	144.8	165.6	67.8	-177	-174.4	-69.4	0	116.6	I110 H152 W235 F241 L243 S244 A245 N330 C336	K108-I110 HydrophobicContact CD-CD1 4.15Å; K108-I110 HydrophobicContact CD-CG1 4.48Å; K108-H152 CarbonylContact C-O 3.48Å; K108-H152 WeakPolarHBondContact CA-O 3.45Å; K108-H152 HydrophobicContact CB-CB 4.21Å; K108-W235 HydrophobicContact CB-CH2 3.71Å; K108-W235 HydrophobicContact CB-CZ2 4.17Å; K108-W235 HydrophobicContact CD-CE3 4.23Å; K108-W235 HydrophobicContact CD-CH2 3.64Å; K108-W235 HydrophobicContact CD-CZ2 4.25Å; K108-W235 HydrophobicContact CD-CZ3 3.63Å; K108-W235 HydrophobicContact CG-CH2 4.24Å; K108-F241 HydrophobicContact CB-CD1 3.9Å; K108-F241 HydrophobicContact CB-CE1 3.55Å; K108-F241 HydrophobicContact CB-CZ 4.07Å; K108-F241 HydrophobicContact CD-CD1 3.91Å; K108-F241 HydrophobicContact CD-CD2 3.83Å; K108-F241 HydrophobicContact CD-CE1 3.9Å; K108-F241 HydrophobicContact CD-CE2 3.78Å; K108-F241 HydrophobicContact CD-CG 3.89Å; K108-F241 HydrophobicContact CD-CZ 3.83Å; K108-F241 HydrophobicContact CG-CD1 3.89Å; K108-F241 HydrophobicContact CG-CE1 3.97Å; K108-F241 HydrophobicContact CG-CG 4.27Å; K108-F241 HydrophobicContact CG-CZ 4.38Å; K108-L243 PolarHBondContact N-O 2.95Å; K108-L243 VanDerWaalsContact N-O 3.11Å; K108-S244 WeakPolarHBondContact CE-OG 3.31Å; K108-S244 WeakPolarHBondContact CG-OG 3.32Å; K108-S244 WeakPolarHBondContact O-CA 3.48Å; K108-S244 PolarHBondContact O-OG 3.5Å; K108-A245 PolarHBondContact O-N 2.78Å; K108-N330 WeakPolarHBondContact CE-OD1 3.25Å; K108-N330 PolarHBondContact NZ-OD1 3.03Å; K108-C336 PolarHBondContact NZ-SG 2.8Å
109	Y	99	Very high	98.4	Very high	1 Å²	1	13.7 Å²	13.7	0%	0.004	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	137.6	161.2	-90.3	-57.4	0	0	0	110.3	F107 L124 L127 H152 M154 A245 L247 L365 Y368	F107-Y109 HydrophobicContact CD1-CD2 4.47Å; F107-Y109 HydrophobicContact CE1-CD1 4.35Å; F107-Y109 AromaticContact CE1-CD2 3.31Å; F107-Y109 HydrophobicContact CE1-CD2 3.31Å; F107-Y109 AromaticContact CE1-CE2 3.51Å; F107-Y109 HydrophobicContact CE1-CE2 3.51Å; F107-Y109 AromaticContact CE1-CG 3.71Å; F107-Y109 HydrophobicContact CE1-CG 3.71Å; F107-Y109 HydrophobicContact CZ-CD1 4.26Å; F107-Y109 AromaticContact CZ-CD2 3.75Å; F107-Y109 HydrophobicContact CZ-CD2 3.75Å; F107-Y109 HydrophobicContact CZ-CE1 4.1Å; F107-Y109 AromaticContact CZ-CE2 3.5Å; F107-Y109 HydrophobicContact CZ-CE2 3.5Å; F107-Y109 VanDerWaalsContact CZ-CE2 3.5Å; F107-Y109 HydrophobicContact CZ-CG 4.06Å; F107-Y109 AromaticContact CZ-CZ 3.66Å; Y109-L124 VanDerWaalsContact CB-CD2 3.5Å; Y109-L124 HydrophobicContact CD1-CD2 4.33Å; Y109-L124 HydrophobicContact CD2-CD2 4Å; Y109-L124 HydrophobicContact CG-CD2 3.72Å; Y109-L127 HydrophobicContact CD2-CD2 3.74Å; Y109-L127 HydrophobicContact CE2-CD2 3.93Å; Y109-H152 PolarHBondContact N-O 3.3Å; Y109-M154 PolarHBondContact O-N 2.85Å; Y109-A245 WeakPolarHBondContact CA-O 3.32Å; Y109-A245 HydrophobicContact CD1-CB 3.89Å; Y109-A245 WeakPolarHBondContact CD1-O 3.42Å; Y109-A245 HydrophobicContact CE1-CB 3.56Å; Y109-L247 HydrophobicContact CD1-CD1 4.42Å; Y109-L247 HydrophobicContact CD1-CD2 4.17Å; Y109-L247 HydrophobicContact CD1-CG 4.34Å; Y109-L247 HydrophobicContact CE1-CD2 4.13Å; Y109-L365 HydrophobicContact CD1-CD2 4.49Å; Y109-L365 HydrophobicContact CD2-CD2 4.43Å; Y109-L365 HydrophobicContact CE1-CD2 3.86Å; Y109-L365 HydrophobicContact CE2-CB 4.48Å; Y109-L365 HydrophobicContact CE2-CD2 3.85Å; Y109-L365 WeakPolarHBondContact OH-CA 3.26Å; Y109-L365 PolarHBondContact OH-O 3.17Å; Y109-L365 VanDerWaalsContact OH-O 3.13Å; Y109-Y368 HydrophobicContact CE1-CD1 4.23Å; Y109-Y368 AromaticContact CZ-CD1 3.95Å; Y109-Y368 WeakPolarHBondContact OH-CB 3.47Å; Y109-Y368 VanDerWaalsContact OH-CD1 3.27Å; Y109-Y368 WeakPolarHBondContact OH-CD1 3.36Å
110	I	98.9	Very high	98.6	Very high	1 Å²	1	9.8 Å²	9.8	1%	0.005	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	125.6	175	-54.3	173.7	0	0	0	109	K108 M154 L157 V232 W235 A245 N246 L247 M326	K108-I110 HydrophobicContact CD-CD1 4.15Å; K108-I110 HydrophobicContact CD-CG1 4.48Å; I110-M154 WeakPolarHBondContact CA-O 3.45Å; I110-M154 HydrophobicContact CG1-CB 4.5Å; I110-M154 HydrophobicContact CG2-SD 4.13Å; I110-L157 HydrophobicContact CG2-CB 3.94Å; I110-L157 HydrophobicContact CG2-CD2 4.19Å; I110-V232 HydrophobicContact CD1-CG1 4.44Å; I110-W235 HydrophobicContact CD1-CZ3 3.74Å; I110-W235 HydrophobicContact CG1-CH2 4.32Å; I110-W235 HydrophobicContact CG1-CZ3 3.84Å; I110-A245 PolarHBondContact N-O 3.49Å; I110-N246 HydrophobicContact CB-CB 4.39Å; I110-N246 CarbonylContact O-C 3.6Å; I110-N246 VanDerWaalsContact O-CA 3.24Å; I110-N246 WeakPolarHBondContact O-CA 3.45Å; I110-L247 PolarHBondContact O-N 2.69Å; I110-M326 HydrophobicContact CB-CE 4.22Å; I110-M326 HydrophobicContact CD1-CE 3.73Å; I110-M326 HydrophobicContact CD1-SD 3.92Å; I110-M326 HydrophobicContact CG2-CE 4.1Å
111	G	98.9	Very high	98.6	Very high	1 Å²	1	8.1 Å²	8.1	1%	0.01	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	158.6	175.7	0	0	0	0	0	112.5	M113 L124 M154 P155 S156 L157	G111-M113 VanDerWaalsContact C-N 3.32Å; G111-M113 PolarHBondContact O-N 3.5Å; G111-L124 VanDerWaalsContact N-CD1 3.35Å; G111-M154 PolarHBondContact N-O 3.36Å; G111-P155 CarbonylContact C-O 3.54Å; G111-S156 WeakPolarHBondContact O-CA 3.36Å; G111-L157 PolarHBondContact O-N 3.28Å
112	N	98.9	Very high	98.7	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	4%	0.035	C	C	.	.			trans	58.3	43.5	159.2	-174.7	-123.1	0	0	0	112.9	H114 G115 E117 R121 S156 N158 L247	N112-H114 VanDerWaalsContact C-N 3.27Å; N112-H114 PolarHBondContact ND2-O 2.89Å; N112-G115 VanDerWaalsContact ND2-C 3.33Å; N112-G115 WeakPolarHBondContact ND2-CA 3.42Å; N112-G115 PolarHBondContact ND2-O 3.28Å; N112-E117 PolarHBondContact ND2-O 3.03Å; N112-R121 HydrophobicContact CB-CB 3.79Å; N112-S156 PolarHBondContact OD1-OG 2.97Å; N112-N158 WeakPolarHBondContact O-CB 3.24Å; N112-N158 PolarHBondContact O-N 3.47Å; N112-L247 PolarHBondContact N-O 2.81Å
113	M	98.8	Very high	98.7	Very high	2 Å²	2	2 Å²	2	1%	0.01	1%	0.013	C	C	.	.	S	Bend	trans	-69.7	-28.8	168.6	76.4	178.4	-51.8	0	0	112	G111 L157 N158 L187 N188 F191 H248 M326	G111-M113 VanDerWaalsContact C-N 3.32Å; G111-M113 PolarHBondContact O-N 3.5Å; M113-L157 HydrophobicContact CB-CB 4.14Å; M113-L157 HydrophobicContact CB-CD2 3.8Å; M113-L157 HydrophobicContact CB-CG 4.26Å; M113-L157 HydrophobicContact CE-CD2 4.44Å; M113-N158 WeakPolarHBondContact O-CB 3.5Å; M113-N158 PolarHBondContact O-ND2 3Å; M113-L187 HydrophobicContact CE-CB 4.17Å; M113-N188 HydrophobicContact CE-CB 3.44Å; M113-N188 VanDerWaalsContact CE-CB 3.44Å; M113-N188 HydrophobicContact SD-CB 3.74Å; M113-F191 HydrophobicContact CE-CE2 4.36Å; M113-H248 WeakPolarHBondContact CG-CE1 3.42Å; M113-H248 WeakPolarHBondContact CG-NE2 3.17Å; M113-H248 PolarHBondContact SD-CE1 3.12Å; M113-H248 PolarHBondContact SD-NE2 2.93Å; M113-M326 HydrophobicContact CE-CB 4.04Å; M113-M326 HydrophobicContact CE-CE 4.22Å; M113-M326 HydrophobicContact CE-SD 4.33Å; M113-M326 HydrophobicContact SD-CE 4.08Å
114	H	98.9	Very high	98.8	Very high	2 Å²	2	1.4 Å²	1.4	1%	0.009	1%	0.007	C	C	.	.	S	Bend	trans	-95	121.2	157.2	-61.3	132.9	0	0	0	109	N112 N116 E117 R179 D186 H248	N112-H114 VanDerWaalsContact C-N 3.27Å; N112-H114 PolarHBondContact ND2-O 2.89Å; H114-N116 PolarHBondContact O-N 3.49Å; H114-E117 HydrophobicContact CB-CB 4.09Å; H114-E117 HydrophobicContact CB-CG 3.84Å; H114-E117 WeakPolarHBondContact CB-OE1 2.89Å; H114-E117 WeakPolarHBondContact CB-OE2 3.33Å; H114-E117 IonicContact CE1-OE2 2.77Å; H114-E117 IonicContact CG-OE1 3.54Å; H114-E117 IonicContact CG-OE2 2.95Å; H114-E117 IonicContact ND1-OE1 2.69Å; H114-E117 PolarHBondContact ND1-OE1 3.37Å; H114-E117 IonicContact ND1-OE2 3.39Å; H114-E117 PolarHBondContact ND1-OE2 2.61Å; H114-E117 PolarHBondContact O-N 3.03Å; H114-R179 VanDerWaalsContact CA-O 3.3Å; H114-R179 WeakPolarHBondContact CA-O 3.43Å; H114-R179 HydrophobicContact CB-CG 3.9Å; H114-R179 PolarHBondContact CE1-NH1 3.43Å; H114-R179 PolarHBondContact CE1-NH2 3.3Å; H114-R179 PolarHBondContact ND1-NH1 3.43Å; H114-R179 VanDerWaalsContact ND1-NH1 3.15Å; H114-R179 VanDerWaalsContact NE2-CZ 3.3Å; H114-R179 PolarHBondContact NE2-NH2 3.13Å; H114-R179 VanDerWaalsContact NE2-NH2 3.2Å; H114-D186 IonicContact CD2-OD1 2.73Å; H114-D186 IonicContact NE2-OD1 3.72Å; H114-D186 PolarHBondContact NE2-OD1 3.02Å; H114-D186 IonicContact NE2-OD2 2.78Å; H114-H248 AromaticContact CE1-CE1 3.39Å; H114-H248 PolarHBondContact CE1-CE1 3.5Å; H114-H248 AromaticContact CE1-ND1 3.73Å; H114-H248 AromaticContact ND1-CE1 3.32Å; H114-H248 PolarHBondContact ND1-CE1 3.02Å; H114-H248 VanDerWaalsContact ND1-CE1 3.32Å; H114-H248 AromaticContact ND1-ND1 3.32Å; H114-H248 PolarHBondContact ND1-ND1 3.23Å
115	G	98.6	Very high	98.8	Very high	0 Å²	0	0.7 Å²	0.7	0%	0	0%	0.004	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-28.1	-170.3	0	0	0	0	0	114.1	N112 N158 F162 G178 R179	N112-G115 VanDerWaalsContact ND2-C 3.33Å; N112-G115 WeakPolarHBondContact ND2-CA 3.42Å; N112-G115 PolarHBondContact ND2-O 3.28Å; G115-N158 PolarHBondContact N-ND2 3.06Å; G115-F162 VanDerWaalsContact O-CA 3.31Å; G115-F162 WeakPolarHBondContact O-CA 3.04Å; G115-F162 WeakPolarHBondContact O-CD2 3.47Å; G115-G178 CarbonylContact C-O 3.55Å; G115-G178 WeakPolarHBondContact CA-O 3.22Å; G115-G178 PolarHBondContact N-O 3.49Å; G115-R179 PolarHBondContact N-O 3.23Å
116	N	98.4	Very high	98.8	Very high	2 Å²	2	1 Å²	1	1%	0.011	1%	0.005	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-0.9	177.1	72	-31	0	0	0	114.9	H114 A118 A165 W175 V177 G178 R179 K347	H114-N116 PolarHBondContact O-N 3.49Å; N116-A118 PolarHBondContact O-N 3.36Å; N116-A165 HydrophobicContact CB-CB 3.63Å; N116-W175 VanDerWaalsContact ND2-C 3.31Å; N116-W175 PolarHBondContact ND2-O 3.44Å; N116-V177 WeakPolarHBondContact CB-O 3.33Å; N116-G178 PolarHBondContact N-O 3.29Å; N116-R179 VanDerWaalsContact OD1-CA 3.24Å; N116-R179 WeakPolarHBondContact OD1-CA 3.39Å; N116-R179 WeakPolarHBondContact OD1-CB 3.47Å; N116-K347 CarbonylContact O-C 3.59Å; N116-K347 VanDerWaalsContact O-CB 3.32Å; N116-K347 WeakPolarHBondContact O-CB 3.24Å
117	E	98.6	Very high	98.8	Very high	2 Å²	2	1.1 Å²	1.1	1%	0.009	1%	0.006	C	C	.	.			trans	-96.7	83.4	175.1	-66.7	168.6	-156.4	0	0	107.1	N112 H114 R179 H248 G249 K347	N112-E117 PolarHBondContact ND2-O 3.03Å; H114-E117 HydrophobicContact CB-CB 4.09Å; H114-E117 HydrophobicContact CB-CG 3.84Å; H114-E117 WeakPolarHBondContact CB-OE1 2.89Å; H114-E117 WeakPolarHBondContact CB-OE2 3.33Å; H114-E117 IonicContact CE1-OE2 2.77Å; H114-E117 IonicContact CG-OE1 3.54Å; H114-E117 IonicContact CG-OE2 2.95Å; H114-E117 IonicContact ND1-OE1 2.69Å; H114-E117 PolarHBondContact ND1-OE1 3.37Å; H114-E117 IonicContact ND1-OE2 3.39Å; H114-E117 PolarHBondContact ND1-OE2 2.61Å; H114-E117 PolarHBondContact O-N 3.03Å; E117-R179 IonicContact OE1-NH1 3.32Å; E117-R179 PolarHBondContact OE1-NH1 3.14Å; E117-H248 IonicContact OE2-CE1 3.09Å; E117-H248 IonicContact OE2-CG 3.74Å; E117-H248 IonicContact OE2-ND1 2.67Å; E117-H248 PolarHBondContact OE2-ND1 3.16Å; E117-G249 WeakPolarHBondContact CG-O 3.49Å; E117-K347 CarbonylContact C-O 3.09Å; E117-K347 WeakPolarHBondContact CA-O 3.32Å; E117-K347 HydrophobicContact CG-CB 4.09Å; E117-K347 HydrophobicContact CG-CD 3.8Å; E117-K347 HydrophobicContact CG-CG 3.98Å; E117-K347 VanDerWaalsContact OE1-CE 3.32Å; E117-K347 WeakPolarHBondContact OE1-CE 3.03Å; E117-K347 IonicContact OE1-NZ 2.9Å; E117-K347 PolarHBondContact OE1-NZ 3.09Å
118	A	98.2	Very high	98.8	Very high	0 Å²	0	1.1 Å²	1.1	0%	0	1%	0.006	C	C	.	.			trans	-92.9	-22.6	-158.5	0	0	0	0	0	114.2	Y53 N116 G120 R121 E122 F162 K347 F348	Y53-A118 HydrophobicContact CD1-CB 4.15Å; Y53-A118 HydrophobicContact CE1-CB 3.48Å; Y53-A118 VanDerWaalsContact CE1-CB 3.48Å; N116-A118 PolarHBondContact O-N 3.36Å; A118-G120 PolarHBondContact O-N 3.43Å; A118-R121 VanDerWaalsContact O-CB 3.27Å; A118-R121 WeakPolarHBondContact O-CB 3.36Å; A118-R121 PolarHBondContact O-N 2.99Å; A118-R121 VanDerWaalsContact O-N 3.09Å; A118-E122 PolarHBondContact O-N 3.39Å; A118-F162 HydrophobicContact CB-CD2 4.42Å; A118-F162 HydrophobicContact CB-CE2 3.9Å; A118-K347 PolarHBondContact N-O 3.22Å; A118-F348 HydrophobicContact CB-CD2 3.55Å; A118-F348 HydrophobicContact CB-CE2 3.65Å; A118-F348 HydrophobicContact CB-CG 3.99Å; A118-F348 HydrophobicContact CB-CZ 4.18Å
119	V	98.8	Very high	98.8	Very high	2 Å²	2	2.2 Å²	2.2	1%	0.012	1%	0.011	C	C	.	.	H	α-helix	trans	-58.5	-47	-177.1	178	0	0	0	0	111.3	R121 E122 L123 L343 S344 P349 Y357	V119-R121 PolarHBondContact O-N 3Å; V119-E122 PolarHBondContact O-N 3.19Å; V119-L123 HydrophobicContact CG1-CD1 4.03Å; V119-L123 HydrophobicContact CG1-CG 3.99Å; V119-L123 WeakPolarHBondContact O-CG 3.26Å; V119-L123 PolarHBondContact O-N 3.19Å; V119-L343 HydrophobicContact CB-CB 4.48Å; V119-L343 HydrophobicContact CG1-CB 4.08Å; V119-L343 HydrophobicContact CG1-CD1 4.28Å; V119-S344 WeakPolarHBondContact CG2-OG 3.08Å; V119-P349 HydrophobicContact CG2-CG 3.54Å; V119-Y357 HydrophobicContact CG1-CD1 3.97Å; V119-Y357 HydrophobicContact CG1-CD2 4.37Å; V119-Y357 HydrophobicContact CG1-CG 3.83Å; V119-Y357 HydrophobicContact CG2-CD2 4.25Å; V119-Y357 HydrophobicContact CG2-CE2 4.29Å; V119-Y357 HydrophobicContact CG2-CG 4.47Å
120	G	98.8	Very high	98.7	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-58.2	-33.4	177.5	0	0	0	0	0	113.8	A118 L124 L343	A118-G120 PolarHBondContact O-N 3.43Å; G120-L124 VanDerWaalsContact O-CG 3.27Å; G120-L124 WeakPolarHBondContact O-CG 3.27Å; G120-L124 PolarHBondContact O-N 2.8Å; G120-L343 VanDerWaalsContact CA-CD1 3.49Å
121	R	98.9	Very high	98.7	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-61	-52.7	175.2	-179.8	-170.5	178.3	97.3	-3.2	111.3	H54 L59 N112 A118 V119 L124 I125 P155 S156 F162	H54-R121 PolarHBondContact O-NE 3.45Å; H54-R121 PolarHBondContact O-NH2 3.17Å; L59-R121 HydrophobicContact CD1-CG 4.26Å; L59-R121 VanDerWaalsContact CD1-NH2 3.26Å; N112-R121 HydrophobicContact CB-CB 3.79Å; A118-R121 VanDerWaalsContact O-CB 3.27Å; A118-R121 WeakPolarHBondContact O-CB 3.36Å; A118-R121 PolarHBondContact O-N 2.99Å; A118-R121 VanDerWaalsContact O-N 3.09Å; V119-R121 PolarHBondContact O-N 3Å; R121-L124 PolarHBondContact O-N 3.08Å; R121-I125 HydrophobicContact CG-CD1 4.42Å; R121-I125 WeakPolarHBondContact O-CG1 3.23Å; R121-I125 PolarHBondContact O-N 3.46Å; R121-P155 VanDerWaalsContact CA-O 3.26Å; R121-P155 WeakPolarHBondContact CA-O 3.33Å; R121-P155 HydrophobicContact CG-CB 4.49Å; R121-S156 PolarHBondContact NH1-OG 3.4Å; R121-F162 VanDerWaalsContact CD-CD2 3.49Å
122	E	98.9	Very high	98.7	Very high	1 Å²	1	4.2 Å²	4.2	1%	0.005	2%	0.018	C	C	.	.	H	α-helix	trans	-70.3	-41	-174.9	-56.7	-53.1	151	0	0	111	Y53 H54 A118 V119 L124 I125 F126 L354	Y53-E122 HydrophobicContact CD1-CG 3.71Å; Y53-E122 HydrophobicContact CE1-CG 3.94Å; H54-E122 IonicContact CE1-OE2 2.61Å; H54-E122 IonicContact CG-OE2 2.97Å; H54-E122 PolarHBondContact N-OE1 2.75Å; H54-E122 IonicContact ND1-OE2 3.4Å; H54-E122 PolarHBondContact ND1-OE2 2.74Å; A118-E122 PolarHBondContact O-N 3.39Å; V119-E122 PolarHBondContact O-N 3.19Å; E122-L124 PolarHBondContact O-N 3.21Å; E122-I125 WeakPolarHBondContact O-CB 3.48Å; E122-I125 PolarHBondContact O-N 2.96Å; E122-I125 VanDerWaalsContact O-N 3.1Å; E122-F126 HydrophobicContact CB-CD2 4.48Å; E122-F126 HydrophobicContact CB-CE2 3.71Å; E122-F126 HydrophobicContact CB-CZ 3.85Å; E122-F126 WeakPolarHBondContact O-CD2 3.1Å; E122-F126 WeakPolarHBondContact O-CG 3.21Å; E122-F126 PolarHBondContact O-N 3.23Å; E122-L354 HydrophobicContact CB-CD2 4.27Å; E122-L354 HydrophobicContact CG-CD1 4.37Å; E122-L354 HydrophobicContact CG-CD2 4.21Å
123	L	98.9	Very high	98.7	Very high	1 Å²	1	6.2 Å²	6.2	1%	0.005	3%	0.029	C	C	.	.	H	α-helix	trans	-56.4	-38.4	175	-68.9	-168.5	0	0	0	112.7	V119 F126 L127 L343 W358 N361 L365	V119-L123 HydrophobicContact CG1-CD1 4.03Å; V119-L123 HydrophobicContact CG1-CG 3.99Å; V119-L123 WeakPolarHBondContact O-CG 3.26Å; V119-L123 PolarHBondContact O-N 3.19Å; L123-F126 HydrophobicContact CD2-CD2 4.45Å; L123-F126 PolarHBondContact O-N 3.46Å; L123-L127 VanDerWaalsContact O-CB 3.26Å; L123-L127 WeakPolarHBondContact O-CB 3.45Å; L123-L127 PolarHBondContact O-N 2.78Å; L123-L343 HydrophobicContact CD1-CD1 3.77Å; L123-L343 HydrophobicContact CD1-CD2 4.11Å; L123-L343 HydrophobicContact CD1-CG 4.47Å; L123-W358 HydrophobicContact CD2-CB 4.1Å; L123-W358 HydrophobicContact CD2-CE3 4.11Å; L123-N361 HydrophobicContact CD1-CB 3.66Å; L123-L365 HydrophobicContact CB-CD1 4.37Å
124	L	98.9	Very high	98.7	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-73.8	-31	178.9	-70.6	-175.5	0	0	0	113.4	Y109 G111 G120 R121 E122 L127 A128 I153 M154 P155 L247	Y109-L124 VanDerWaalsContact CB-CD2 3.5Å; Y109-L124 HydrophobicContact CD1-CD2 4.33Å; Y109-L124 HydrophobicContact CD2-CD2 4Å; Y109-L124 HydrophobicContact CG-CD2 3.72Å; G111-L124 VanDerWaalsContact N-CD1 3.35Å; G120-L124 VanDerWaalsContact O-CG 3.27Å; G120-L124 WeakPolarHBondContact O-CG 3.27Å; G120-L124 PolarHBondContact O-N 2.8Å; R121-L124 PolarHBondContact O-N 3.08Å; E122-L124 PolarHBondContact O-N 3.21Å; L124-L127 HydrophobicContact CD2-CD2 4.06Å; L124-A128 PolarHBondContact O-N 2.79Å; L124-A128 VanDerWaalsContact O-N 3.14Å; L124-I153 HydrophobicContact CB-CG2 3.64Å; L124-I153 HydrophobicContact CD1-CG2 4.2Å; L124-I153 HydrophobicContact CD2-CG2 4.02Å; L124-I153 HydrophobicContact CG-CG2 4.13Å; L124-M154 WeakPolarHBondContact CD1-O 3.37Å; L124-P155 HydrophobicContact CB-CB 4.09Å; L124-P155 HydrophobicContact CB-CG 4.36Å; L124-L247 HydrophobicContact CD1-CD1 3.99Å; L124-L247 HydrophobicContact CD2-CD1 3.74Å; L124-L247 HydrophobicContact CG-CD1 3.73Å
125	I	98.8	Very high	98.7	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-65.5	-46.5	169.9	-65.5	168.1	0	0	0	109.8	I49 H54 L59 A62 R121 E122 A128 Q129 P155	I49-I125 HydrophobicContact CD1-CG2 3.78Å; I49-I125 HydrophobicContact CG2-CG2 3.96Å; H54-I125 HydrophobicContact CB-CD1 3.91Å; L59-I125 HydrophobicContact CB-CD1 4.22Å; L59-I125 HydrophobicContact CD1-CD1 4.17Å; L59-I125 HydrophobicContact CG-CD1 3.95Å; L59-I125 HydrophobicContact CG-CG1 4.46Å; A62-I125 HydrophobicContact CB-CG2 3.8Å; R121-I125 HydrophobicContact CG-CD1 4.42Å; R121-I125 WeakPolarHBondContact O-CG1 3.23Å; R121-I125 PolarHBondContact O-N 3.46Å; E122-I125 WeakPolarHBondContact O-CB 3.48Å; E122-I125 PolarHBondContact O-N 2.96Å; E122-I125 VanDerWaalsContact O-N 3.1Å; I125-A128 PolarHBondContact O-N 3.35Å; I125-Q129 PolarHBondContact O-N 3.43Å; I125-P155 HydrophobicContact CG1-CB 3.98Å; I125-P155 HydrophobicContact CG1-CG 4.17Å
126	F	98.8	Very high	98.6	Very high	7 Å²	7	15.4 Å²	15.4	3%	0.031	7%	0.07	C	C	.	.	H	α-helix	trans	-65.9	-38.1	178.7	-54.2	-31.3	0	0	0	112.2	I49 S50 F51 E122 L123 Q129 Y130 W358	I49-F126 HydrophobicContact CG2-CD1 4.19Å; I49-F126 HydrophobicContact CG2-CE1 3.99Å; S50-F126 WeakPolarHBondContact O-CE1 3.45Å; F51-F126 HydrophobicContact CD1-CD2 4.01Å; F51-F126 HydrophobicContact CD1-CE1 4.18Å; F51-F126 AromaticContact CD1-CE2 3.49Å; F51-F126 HydrophobicContact CD1-CE2 3.49Å; F51-F126 VanDerWaalsContact CD1-CE2 3.49Å; F51-F126 AromaticContact CD1-CZ 3.6Å; F51-F126 HydrophobicContact CD1-CZ 3.6Å; F51-F126 HydrophobicContact CE1-CD1 4.49Å; F51-F126 AromaticContact CE1-CD2 3.78Å; F51-F126 HydrophobicContact CE1-CD2 3.78Å; F51-F126 HydrophobicContact CE1-CE1 4.48Å; F51-F126 AromaticContact CE1-CE2 3.77Å; F51-F126 HydrophobicContact CE1-CE2 3.77Å; F51-F126 HydrophobicContact CE1-CG 4.18Å; F51-F126 HydrophobicContact CE1-CZ 4.15Å; F51-F126 HydrophobicContact CG-CZ 4.38Å; E122-F126 HydrophobicContact CB-CD2 4.48Å; E122-F126 HydrophobicContact CB-CE2 3.71Å; E122-F126 HydrophobicContact CB-CZ 3.85Å; E122-F126 WeakPolarHBondContact O-CD2 3.1Å; E122-F126 WeakPolarHBondContact O-CG 3.21Å; E122-F126 PolarHBondContact O-N 3.23Å; L123-F126 HydrophobicContact CD2-CD2 4.45Å; L123-F126 PolarHBondContact O-N 3.46Å; F126-Q129 PolarHBondContact O-N 2.84Å; F126-Y130 WeakPolarHBondContact O-CB 3.36Å; F126-Y130 PolarHBondContact O-N 2.61Å; F126-W358 HydrophobicContact CB-CD2 3.88Å; F126-W358 HydrophobicContact CB-CE3 3.52Å; F126-W358 HydrophobicContact CB-CH2 4.3Å; F126-W358 HydrophobicContact CB-CZ3 3.76Å; F126-W358 HydrophobicContact CD2-CB 4.15Å; F126-W358 HydrophobicContact CD2-CD2 4.42Å; F126-W358 HydrophobicContact CD2-CE3 4.25Å; F126-W358 HydrophobicContact CD2-CG 4.39Å; F126-W358 HydrophobicContact CG-CE3 4.4Å
127	L	98.9	Very high	98.6	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-60.8	-46.6	175.6	-179.7	62.6	0	0	0	111.4	Y109 L123 L124 Q129 Y130 L131 I153 W358 L365 I366	Y109-L127 HydrophobicContact CD2-CD2 3.74Å; Y109-L127 HydrophobicContact CE2-CD2 3.93Å; L123-L127 VanDerWaalsContact O-CB 3.26Å; L123-L127 WeakPolarHBondContact O-CB 3.45Å; L123-L127 PolarHBondContact O-N 2.78Å; L124-L127 HydrophobicContact CD2-CD2 4.06Å; L127-Q129 VanDerWaalsContact C-N 3.3Å; L127-Q129 PolarHBondContact O-N 2.81Å; L127-Y130 PolarHBondContact O-N 2.92Å; L127-Y130 VanDerWaalsContact O-N 3.15Å; L127-L131 HydrophobicContact CD1-CD1 4.32Å; L127-L131 HydrophobicContact CD1-CD2 4.44Å; L127-L131 HydrophobicContact CD1-CG 4.1Å; L127-L131 HydrophobicContact CG-CD1 4.15Å; L127-L131 HydrophobicContact CG-CG 4.35Å; L127-L131 WeakPolarHBondContact O-CG 3.48Å; L127-L131 PolarHBondContact O-N 3.16Å; L127-I153 HydrophobicContact CD2-CD1 4Å; L127-I153 HydrophobicContact CG-CD1 4.11Å; L127-W358 HydrophobicContact CB-CH2 4.43Å; L127-W358 HydrophobicContact CB-CZ3 4.15Å; L127-W358 HydrophobicContact CD1-CH2 4.47Å; L127-L365 HydrophobicContact CD1-CB 4.3Å; L127-L365 HydrophobicContact CD2-CB 4.32Å; L127-L365 HydrophobicContact CD2-CD1 4.45Å; L127-L365 HydrophobicContact CD2-CD2 4.43Å; L127-I366 HydrophobicContact CD1-CD1 3.87Å
128	A	98.8	Very high	98.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-58.5	-43.2	177.9	0	0	0	0	0	111.8	V66 I91 L124 I125 C132 I153	V66-A128 HydrophobicContact CG1-CB 4.31Å; V66-A128 WeakPolarHBondContact CG1-O 3.45Å; V66-A128 HydrophobicContact CG2-CB 4.45Å; I91-A128 HydrophobicContact CD1-CB 4.46Å; I91-A128 HydrophobicContact CG2-CB 3.83Å; L124-A128 PolarHBondContact O-N 2.79Å; L124-A128 VanDerWaalsContact O-N 3.14Å; I125-A128 PolarHBondContact O-N 3.35Å; A128-C132 PolarHBondContact O-N 3.34Å; A128-I153 HydrophobicContact CB-CD1 4.33Å
129	Q	98.4	Very high	98.6	Very high	23 Å²	23	26.8 Å²	26.8	11%	0.107	14%	0.135	C	C	.	.	H	α-helix	trans	-66.6	-42.4	174.1	170.1	167.5	84.5	0	0	112.6	I49 V66 I125 F126 L127 C132 N133	I49-Q129 HydrophobicContact CD1-CB 3.78Å; I49-Q129 HydrophobicContact CD1-CG 4.43Å; I49-Q129 VanDerWaalsContact N-CD 3.33Å; V66-Q129 HydrophobicContact CG2-CB 3.9Å; I125-Q129 PolarHBondContact O-N 3.43Å; F126-Q129 PolarHBondContact O-N 2.84Å; L127-Q129 VanDerWaalsContact C-N 3.3Å; L127-Q129 PolarHBondContact O-N 2.81Å; Q129-C132 PolarHBondContact O-N 2.68Å; Q129-N133 VanDerWaalsContact CG-ND2 3.33Å; Q129-N133 WeakPolarHBondContact CG-ND2 3.37Å; Q129-N133 WeakPolarHBondContact O-CB 3.42Å; Q129-N133 PolarHBondContact O-N 2.82Å; Q129-N133 PolarHBondContact O-ND2 2.97Å
130	Y	98.7	Very high	98.6	Very high	45 Å²	45	34.1 Å²	34.1	18%	0.176	17%	0.169	C	C	.	.	H	α-helix	trans	-60.1	-47.8	179.5	175.7	-101.8	0	0	0	111.5	F126 L127 C132 N133 E134 I142 W358 K362 I366	F126-Y130 WeakPolarHBondContact O-CB 3.36Å; F126-Y130 PolarHBondContact O-N 2.61Å; L127-Y130 PolarHBondContact O-N 2.92Å; L127-Y130 VanDerWaalsContact O-N 3.15Å; Y130-C132 PolarHBondContact O-N 3.1Å; Y130-N133 PolarHBondContact O-N 2.9Å; Y130-E134 HydrophobicContact CD1-CG 4.41Å; Y130-E134 HydrophobicContact CD2-CG 3.83Å; Y130-E134 HydrophobicContact CE1-CG 4.05Å; Y130-E134 HydrophobicContact CE2-CG 3.38Å; Y130-E134 HydrophobicContact CG-CG 4.32Å; Y130-E134 WeakPolarHBondContact O-CB 3.46Å; Y130-E134 WeakPolarHBondContact O-CG 3.28Å; Y130-E134 PolarHBondContact O-N 2.81Å; Y130-I142 HydrophobicContact CE1-CD1 4.14Å; Y130-I142 HydrophobicContact CE1-CG1 4.45Å; Y130-W358 HydrophobicContact CD1-CH2 4.33Å; Y130-W358 HydrophobicContact CD1-CZ2 4.47Å; Y130-W358 AromaticContact CD2-CZ2 3.92Å; Y130-W358 HydrophobicContact CD2-CZ2 3.92Å; Y130-W358 AromaticContact CG-CH2 3.92Å; Y130-W358 HydrophobicContact CG-CH2 3.92Å; Y130-W358 AromaticContact CG-CZ2 3.74Å; Y130-W358 HydrophobicContact CG-CZ2 3.74Å; Y130-K362 HydrophobicContact CD2-CD 4.12Å; Y130-K362 HydrophobicContact CE1-CG 4.36Å; Y130-K362 HydrophobicContact CE2-CD 3.8Å; Y130-K362 HydrophobicContact CE2-CG 4.46Å; Y130-I366 HydrophobicContact CD1-CD1 4.25Å; Y130-I366 HydrophobicContact CE1-CD1 4.01Å; Y130-I366 HydrophobicContact CE1-CG1 4.04Å
131	L	98.8	Very high	98.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-58.1	-47.4	177.2	-68.5	175.3	0	0	0	111.4	L93 L127 Y135 I142 I146 I151 I153 I366	L93-L131 HydrophobicContact CD1-CD1 4.32Å; L93-L131 HydrophobicContact CD2-CB 3.78Å; L93-L131 HydrophobicContact CD2-CD1 4.28Å; L127-L131 HydrophobicContact CD1-CD1 4.32Å; L127-L131 HydrophobicContact CD1-CD2 4.44Å; L127-L131 HydrophobicContact CD1-CG 4.1Å; L127-L131 HydrophobicContact CG-CD1 4.15Å; L127-L131 HydrophobicContact CG-CG 4.35Å; L127-L131 WeakPolarHBondContact O-CG 3.48Å; L127-L131 PolarHBondContact O-N 3.16Å; L131-Y135 WeakPolarHBondContact O-CB 3.46Å; L131-Y135 PolarHBondContact O-N 3.43Å; L131-I142 HydrophobicContact CB-CG2 4.49Å; L131-I142 HydrophobicContact CD2-CD1 3.97Å; L131-I142 HydrophobicContact CD2-CG2 3.96Å; L131-I142 WeakPolarHBondContact O-CG2 3.42Å; L131-I146 HydrophobicContact CB-CD1 4.46Å; L131-I151 HydrophobicContact CD1-CD1 4.34Å; L131-I153 HydrophobicContact CD1-CD1 4.07Å; L131-I366 HydrophobicContact CD2-CD1 3.81Å
132	C	98.6	Very high	98.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60.9	-47.4	176	170.2	0	0	0	0	112.4	V66 Q69 C70 A128 Q129 Y130 Y135 Q136	V66-C132 HydrophobicContact CG1-CB 3.89Å; Q69-C132 VanDerWaalsContact CG-SG 3.58Å; C70-C132 HydrophobicContact CB-CB 3.83Å; C70-C132 WeakPolarHBondContact CB-SG 3.41Å; C70-C132 WeakPolarHBondContact SG-CA 3.37Å; C70-C132 WeakPolarHBondContact SG-CB 3.32Å; C70-C132 PolarHBondContact SG-O 3.36Å; C70-C132 CovalentContact SG-SG 2.03Å; C70-C132 PolarHBondContact SG-SG 3.2Å; A128-C132 PolarHBondContact O-N 3.34Å; Q129-C132 PolarHBondContact O-N 2.68Å; Y130-C132 PolarHBondContact O-N 3.1Å; C132-Y135 PolarHBondContact O-N 3.1Å; C132-Q136 WeakPolarHBondContact O-CG 3.33Å; C132-Q136 PolarHBondContact O-N 3.44Å
133	N	98.3	Very high	98.5	Very high	43 Å²	43	38.7 Å²	38.7	23%	0.23	20%	0.197	C	C	.	.	H	α-helix	trans	-62.6	-46.7	-179.1	-75.9	-15.8	0	0	0	112.2	Q69 Q129 Y130 Q136 K137	Q69-N133 PolarHBondContact NE2-OD1 2.87Å; Q129-N133 VanDerWaalsContact CG-ND2 3.33Å; Q129-N133 WeakPolarHBondContact CG-ND2 3.37Å; Q129-N133 WeakPolarHBondContact O-CB 3.42Å; Q129-N133 PolarHBondContact O-N 2.82Å; Q129-N133 PolarHBondContact O-ND2 2.97Å; Y130-N133 PolarHBondContact O-N 2.9Å; N133-Q136 PolarHBondContact O-N 3.44Å; N133-K137 VanDerWaalsContact O-CG 3.29Å; N133-K137 WeakPolarHBondContact O-CG 3.31Å; N133-K137 PolarHBondContact O-N 3.43Å; N133-K137 VanDerWaalsContact O-N 3.1Å
134	E	98.6	Very high	98.5	Very high	30 Å²	30	43.4 Å²	43.4	14%	0.14	22%	0.222	C	C	.	.	H	α-helix	trans	-72	-33.3	-178.4	-68.9	-57.1	119.1	0	0	112	Y130 K137 G138 N139 I142	Y130-E134 HydrophobicContact CD1-CG 4.41Å; Y130-E134 HydrophobicContact CD2-CG 3.83Å; Y130-E134 HydrophobicContact CE1-CG 4.05Å; Y130-E134 HydrophobicContact CE2-CG 3.38Å; Y130-E134 HydrophobicContact CG-CG 4.32Å; Y130-E134 WeakPolarHBondContact O-CB 3.46Å; Y130-E134 WeakPolarHBondContact O-CG 3.28Å; Y130-E134 PolarHBondContact O-N 2.81Å; E134-K137 PolarHBondContact O-N 3.19Å; E134-K137 WeakPolarHBondContact OE1-CD 3.4Å; E134-K137 IonicContact OE1-NZ 3.74Å; E134-K137 PolarHBondContact OE1-NZ 3.37Å; E134-G138 PolarHBondContact O-N 3.21Å; E134-N139 HydrophobicContact CB-CB 3.87Å; E134-N139 VanDerWaalsContact O-CB 3.32Å; E134-N139 WeakPolarHBondContact O-CB 3.26Å; E134-N139 PolarHBondContact O-N 2.87Å; E134-N139 PolarHBondContact OE2-ND2 3.12Å; E134-I142 HydrophobicContact CB-CB 4Å; E134-I142 HydrophobicContact CB-CG1 3.69Å; E134-I142 HydrophobicContact CB-CG2 4.05Å; E134-I142 HydrophobicContact CG-CG1 4.41Å
135	Y	98.5	Very high	98.4	Very high	60 Å²	60	43.7 Å²	43.7	24%	0.235	22%	0.224	C	C	.	.	H	α-helix	trans	-58.6	-49.1	169.3	-175.7	-93.4	0	0	0	111.6	I73 L131 C132 K137 G138 V143 I146 H147	I73-Y135 HydrophobicContact CD1-CD1 3.49Å; I73-Y135 VanDerWaalsContact CD1-CD1 3.49Å; I73-Y135 HydrophobicContact CD1-CD2 4.03Å; I73-Y135 HydrophobicContact CD1-CE1 3.94Å; I73-Y135 HydrophobicContact CD1-CE2 4.43Å; I73-Y135 HydrophobicContact CD1-CG 3.55Å; I73-Y135 HydrophobicContact CG1-CD1 4.3Å; I73-Y135 HydrophobicContact CG1-CE1 4.37Å; I73-Y135 HydrophobicContact CG2-CD1 4.44Å; I73-Y135 HydrophobicContact CG2-CE1 3.71Å; I73-Y135 HydrophobicContact CG2-CE2 4.31Å; L131-Y135 WeakPolarHBondContact O-CB 3.46Å; L131-Y135 PolarHBondContact O-N 3.43Å; C132-Y135 PolarHBondContact O-N 3.1Å; Y135-K137 PolarHBondContact O-N 2.81Å; Y135-G138 PolarHBondContact O-N 3.46Å; Y135-V143 HydrophobicContact CD2-CB 4.33Å; Y135-V143 HydrophobicContact CD2-CG2 3.82Å; Y135-V143 HydrophobicContact CE2-CB 4.41Å; Y135-V143 HydrophobicContact CE2-CG1 4.24Å; Y135-V143 HydrophobicContact CE2-CG2 4.12Å; Y135-V143 HydrophobicContact CG-CG2 4.48Å; Y135-I146 HydrophobicContact CD2-CB 4.18Å; Y135-I146 HydrophobicContact CD2-CD1 3.65Å; Y135-I146 HydrophobicContact CD2-CG2 4.18Å; Y135-I146 HydrophobicContact CE2-CB 4.36Å; Y135-I146 HydrophobicContact CE2-CG2 4.06Å; Y135-I146 HydrophobicContact CG-CD1 4.02Å; Y135-H147 AromaticContact CE2-CD2 3.86Å; Y135-H147 AromaticContact CE2-NE2 3.47Å; Y135-H147 WeakPolarHBondContact CE2-NE2 3.3Å; Y135-H147 AromaticContact CZ-NE2 3.72Å; Y135-H147 PolarHBondContact OH-NE2 2.86Å
136	Q	97.9	Very high	98.4	Very high	106 Å²	106	43.7 Å²	43.7	50%	0.495	22%	0.224	S	C	.	.	H	α-helix	trans	-63.7	-29.6	178.6	-73.5	-173.7	-27.5	0	0	113.4	Q69 C132 N133 G138	Q69-Q136 PolarHBondContact O-NE2 3.16Å; C132-Q136 WeakPolarHBondContact O-CG 3.33Å; C132-Q136 PolarHBondContact O-N 3.44Å; N133-Q136 PolarHBondContact O-N 3.44Å; Q136-G138 VanDerWaalsContact C-N 3.26Å
137	K	98.3	Very high	98.4	Very high	148 Å²	148	47.4 Å²	47.4	64%	0.643	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-8	174.1	-68.7	171.5	-165.4	168.9	0	113.4	N133 E134 Y135	N133-K137 VanDerWaalsContact O-CG 3.29Å; N133-K137 WeakPolarHBondContact O-CG 3.31Å; N133-K137 PolarHBondContact O-N 3.43Å; N133-K137 VanDerWaalsContact O-N 3.1Å; E134-K137 PolarHBondContact O-N 3.19Å; E134-K137 WeakPolarHBondContact OE1-CD 3.4Å; E134-K137 IonicContact OE1-NZ 3.74Å; E134-K137 PolarHBondContact OE1-NZ 3.37Å; Y135-K137 PolarHBondContact O-N 2.81Å
138	G	98.3	Very high	98.4	Very high	47 Å²	47	49.5 Å²	49.5	49%	0.485	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.5	30.6	-177.1	0	0	0	0	0	113.5	E134 Y135 Q136 E140	E134-G138 PolarHBondContact O-N 3.21Å; Y135-G138 PolarHBondContact O-N 3.46Å; Q136-G138 VanDerWaalsContact C-N 3.26Å; G138-E140 PolarHBondContact O-N 3.38Å; G138-E140 VanDerWaalsContact O-N 3.12Å
139	N	98.4	Very high	98.4	Very high	49 Å²	49	49.5 Å²	49.5	26%	0.262	26%	0.256	S	S	.	.			trans	-63.7	110.9	172.1	-177.7	-45	0	0	0	109.3	E134 T141 I142 V143	E134-N139 HydrophobicContact CB-CB 3.87Å; E134-N139 VanDerWaalsContact O-CB 3.32Å; E134-N139 WeakPolarHBondContact O-CB 3.26Å; E134-N139 PolarHBondContact O-N 2.87Å; E134-N139 PolarHBondContact OE2-ND2 3.12Å; N139-T141 VanDerWaalsContact C-N 3.29Å; N139-T141 PolarHBondContact O-N 2.88Å; N139-T141 PolarHBondContact OD1-N 2.93Å; N139-I142 HydrophobicContact CB-CB 4.3Å; N139-I142 HydrophobicContact CB-CG1 4.32Å; N139-I142 PolarHBondContact O-N 3.17Å; N139-I142 VanDerWaalsContact O-N 3.09Å; N139-I142 PolarHBondContact OD1-N 3.2Å; N139-V143 WeakPolarHBondContact O-CG2 2.87Å; N139-V143 PolarHBondContact O-N 3.16Å
140	E	98.2	Very high	98.4	Very high	156 Å²	156	49.2 Å²	49.2	73%	0.729	25%	0.253	S	S	*	.	H	α-helix	trans	-55.9	-39.9	-172	-66.3	-178.5	176.5	0	0	113.1	G138 N144	G138-E140 PolarHBondContact O-N 3.38Å; G138-E140 VanDerWaalsContact O-N 3.12Å; E140-N144 VanDerWaalsContact O-CB 3.28Å; E140-N144 WeakPolarHBondContact O-CB 3.39Å; E140-N144 PolarHBondContact O-N 2.85Å; E140-N144 PolarHBondContact O-ND2 2.87Å; E140-N144 VanDerWaalsContact O-ND2 3.1Å
141	T	97	Very high	98.4	Very high	64 Å²	64	47.1 Å²	47.1	39%	0.393	25%	0.245	S	C	.	.	H	α-helix	trans	-61.3	-48.3	177.6	-61.3	0	0	0	0	111.2	N139 N144 L145 E370	N139-T141 VanDerWaalsContact C-N 3.29Å; N139-T141 PolarHBondContact O-N 2.88Å; N139-T141 PolarHBondContact OD1-N 2.93Å; T141-N144 PolarHBondContact O-N 3.1Å; T141-L145 HydrophobicContact CG2-CD1 4.22Å; T141-L145 WeakPolarHBondContact O-CB 3.48Å; T141-L145 WeakPolarHBondContact O-CG 3.15Å; T141-L145 PolarHBondContact O-N 2.81Å; T141-E370 VanDerWaalsContact CG2-OE1 3.25Å; T141-E370 WeakPolarHBondContact CG2-OE1 3.44Å
142	I	98.7	Very high	98.4	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-72.7	-37.7	-177.3	-58.8	-50.9	0	0	0	111.7	Y130 L131 E134 N139 L145 I146 I366	Y130-I142 HydrophobicContact CE1-CD1 4.14Å; Y130-I142 HydrophobicContact CE1-CG1 4.45Å; L131-I142 HydrophobicContact CB-CG2 4.49Å; L131-I142 HydrophobicContact CD2-CD1 3.97Å; L131-I142 HydrophobicContact CD2-CG2 3.96Å; L131-I142 WeakPolarHBondContact O-CG2 3.42Å; E134-I142 HydrophobicContact CB-CB 4Å; E134-I142 HydrophobicContact CB-CG1 3.69Å; E134-I142 HydrophobicContact CB-CG2 4.05Å; E134-I142 HydrophobicContact CG-CG1 4.41Å; N139-I142 HydrophobicContact CB-CB 4.3Å; N139-I142 HydrophobicContact CB-CG1 4.32Å; N139-I142 PolarHBondContact O-N 3.17Å; N139-I142 VanDerWaalsContact O-N 3.09Å; N139-I142 PolarHBondContact OD1-N 3.2Å; I142-L145 HydrophobicContact CD1-CD1 4.21Å; I142-L145 PolarHBondContact O-N 3.02Å; I142-I146 HydrophobicContact CG2-CD1 3.8Å; I142-I146 WeakPolarHBondContact O-CG1 3.12Å; I142-I146 PolarHBondContact O-N 3.43Å; I142-I366 HydrophobicContact CD1-CD1 3.86Å; I142-I366 HydrophobicContact CD1-CG1 4.44Å; I142-I366 HydrophobicContact CD1-CG2 4.33Å
143	V	98.8	Very high	98.5	Very high	31 Å²	31	47.1 Å²	47.1	19%	0.188	25%	0.245	C	C	.	.	H	α-helix	trans	-60.2	-49.7	173.5	171.7	0	0	0	0	110.3	Y135 N139 L145 I146 H147	Y135-V143 HydrophobicContact CD2-CB 4.33Å; Y135-V143 HydrophobicContact CD2-CG2 3.82Å; Y135-V143 HydrophobicContact CE2-CB 4.41Å; Y135-V143 HydrophobicContact CE2-CG1 4.24Å; Y135-V143 HydrophobicContact CE2-CG2 4.12Å; Y135-V143 HydrophobicContact CG-CG2 4.48Å; N139-V143 WeakPolarHBondContact O-CG2 2.87Å; N139-V143 PolarHBondContact O-N 3.16Å; V143-L145 PolarHBondContact O-N 2.99Å; V143-I146 PolarHBondContact O-N 2.84Å; V143-H147 WeakPolarHBondContact O-CB 3.43Å; V143-H147 PolarHBondContact O-CD2 3.41Å; V143-H147 PolarHBondContact O-N 2.82Å
144	N	98.2	Very high	98.5	Very high	99 Å²	99	45 Å²	45	53%	0.529	23%	0.234	S	C	.	.	H	α-helix	trans	-60.8	-45.1	178.1	-70.7	-25.6	0	0	0	111.3	E140 T141 I146 H147 S148	E140-N144 VanDerWaalsContact O-CB 3.28Å; E140-N144 WeakPolarHBondContact O-CB 3.39Å; E140-N144 PolarHBondContact O-N 2.85Å; E140-N144 PolarHBondContact O-ND2 2.87Å; E140-N144 VanDerWaalsContact O-ND2 3.1Å; T141-N144 PolarHBondContact O-N 3.1Å; N144-I146 VanDerWaalsContact C-N 3.34Å; N144-I146 PolarHBondContact O-N 2.97Å; N144-H147 PolarHBondContact O-N 2.96Å; N144-S148 WeakPolarHBondContact O-CB 3.4Å; N144-S148 PolarHBondContact O-N 3.36Å; N144-S148 PolarHBondContact O-OG 3.26Å
145	L	98.4	Very high	98.5	Very high	7 Å²	7	43.7 Å²	43.7	4%	0.037	23%	0.228	C	C	.	.	H	α-helix	trans	-58	-43.9	178	-82.1	172.5	0	0	0	112.8	T141 I142 V143 H147 S148 T149 I366 L369 E370	T141-L145 HydrophobicContact CG2-CD1 4.22Å; T141-L145 WeakPolarHBondContact O-CB 3.48Å; T141-L145 WeakPolarHBondContact O-CG 3.15Å; T141-L145 PolarHBondContact O-N 2.81Å; I142-L145 HydrophobicContact CD1-CD1 4.21Å; I142-L145 PolarHBondContact O-N 3.02Å; V143-L145 PolarHBondContact O-N 2.99Å; L145-H147 VanDerWaalsContact C-N 3.34Å; L145-S148 PolarHBondContact O-N 2.93Å; L145-T149 WeakPolarHBondContact O-CB 3.2Å; L145-T149 PolarHBondContact O-N 3.23Å; L145-T149 PolarHBondContact O-OG1 3.4Å; L145-T149 VanDerWaalsContact O-OG1 3.05Å; L145-I366 HydrophobicContact CD1-CG2 4.04Å; L145-L369 HydrophobicContact CD1-CD2 4.1Å; L145-L369 HydrophobicContact CD2-CD2 4.46Å; L145-L369 HydrophobicContact CD2-CG 4.23Å; L145-E370 HydrophobicContact CD1-CG 4.05Å; L145-E370 HydrophobicContact CD2-CG 3.93Å; L145-E370 HydrophobicContact CG-CG 4.39Å
146	I	98.8	Very high	98.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-70.7	-30.1	179	-71.9	165.9	0	0	0	111.8	I73 S94 D95 L131 Y135 I142 V143 N144 I151	I73-I146 HydrophobicContact CB-CG2 4.21Å; I73-I146 HydrophobicContact CD1-CD1 3.88Å; I73-I146 HydrophobicContact CD1-CG2 4.22Å; I73-I146 HydrophobicContact CG2-CG2 4.41Å; S94-I146 WeakPolarHBondContact CA-O 3.3Å; D95-I146 PolarHBondContact N-O 3.22Å; D95-I146 VanDerWaalsContact N-O 3.16Å; L131-I146 HydrophobicContact CB-CD1 4.46Å; Y135-I146 HydrophobicContact CD2-CB 4.18Å; Y135-I146 HydrophobicContact CD2-CD1 3.65Å; Y135-I146 HydrophobicContact CD2-CG2 4.18Å; Y135-I146 HydrophobicContact CE2-CB 4.36Å; Y135-I146 HydrophobicContact CE2-CG2 4.06Å; Y135-I146 HydrophobicContact CG-CD1 4.02Å; I142-I146 HydrophobicContact CG2-CD1 3.8Å; I142-I146 WeakPolarHBondContact O-CG1 3.12Å; I142-I146 PolarHBondContact O-N 3.43Å; V143-I146 PolarHBondContact O-N 2.84Å; N144-I146 VanDerWaalsContact C-N 3.34Å; N144-I146 PolarHBondContact O-N 2.97Å; I146-I151 HydrophobicContact CG1-CD1 4.34Å
147	H	98.6	Very high	98.6	Very high	85 Å²	85	36 Å²	36	39%	0.394	20%	0.195	S	C	.	.	H	α-helix	trans	-85.2	-14.2	178.9	-71.8	-160.5	0	0	0	113.5	D95 Y135 V143 N144 L145	D95-H147 WeakPolarHBondContact OD1-CA 3.26Å; Y135-H147 AromaticContact CE2-CD2 3.86Å; Y135-H147 AromaticContact CE2-NE2 3.47Å; Y135-H147 WeakPolarHBondContact CE2-NE2 3.3Å; Y135-H147 AromaticContact CZ-NE2 3.72Å; Y135-H147 PolarHBondContact OH-NE2 2.86Å; V143-H147 WeakPolarHBondContact O-CB 3.43Å; V143-H147 PolarHBondContact O-CD2 3.41Å; V143-H147 PolarHBondContact O-N 2.82Å; N144-H147 PolarHBondContact O-N 2.96Å; L145-H147 VanDerWaalsContact C-N 3.34Å
148	S	98.4	Very high	98.6	Very high	45 Å²	45	29 Å²	29	32%	0.315	17%	0.165	S	C	.	.	H	α-helix	trans	-117.9	-2.2	-177	70.9	0	0	0	0	113.6	P105 N144 L145 H373	P105-S148 WeakPolarHBondContact CD-O 3.05Å; N144-S148 WeakPolarHBondContact O-CB 3.4Å; N144-S148 PolarHBondContact O-N 3.36Å; N144-S148 PolarHBondContact O-OG 3.26Å; L145-S148 PolarHBondContact O-N 2.93Å; S148-H373 PolarHBondContact O-CE1 2.98Å; S148-H373 PolarHBondContact OG-CE1 2.89Å; S148-H373 PolarHBondContact OG-NE2 3.24Å
149	T	98.8	Very high	98.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.142	C	C	.	.			trans	-145.6	137	-175.3	-40.9	0	0	0	0	110.1	E104 P105 F107 L145 I151 L369 I372 H373	E104-T149 PolarHBondContact OE1-N 3.25Å; P105-T149 WeakPolarHBondContact O-CG2 3.38Å; F107-T149 HydrophobicContact CB-CG2 3.83Å; L145-T149 WeakPolarHBondContact O-CB 3.2Å; L145-T149 PolarHBondContact O-N 3.23Å; L145-T149 PolarHBondContact O-OG1 3.4Å; L145-T149 VanDerWaalsContact O-OG1 3.05Å; T149-I151 HydrophobicContact CG2-CG1 3.94Å; T149-L369 HydrophobicContact CG2-CD1 4.42Å; T149-I372 HydrophobicContact CG2-CD1 4.2Å; T149-I372 HydrophobicContact CG2-CG2 4.03Å; T149-H373 PolarHBondContact OG1-CE1 2.98Å; T149-H373 PolarHBondContact OG1-NE2 3.46Å
150	R	98.9	Very high	98.7	Very high	16 Å²	16	24.8 Å²	24.8	6%	0.06	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	106.4	167	-169.5	161.9	176.5	-117.6	-4	110.5	E92 V99 E104 P105 E106 F107	E92-R150 HydrophobicContact CG-CG 4.34Å; E92-R150 IonicContact OE1-CZ 3.8Å; E92-R150 VanDerWaalsContact OE1-CZ 3.25Å; E92-R150 IonicContact OE1-NE 3.1Å; E92-R150 PolarHBondContact OE1-NE 2.92Å; E92-R150 IonicContact OE1-NH2 2.61Å; E92-R150 PolarHBondContact OE1-NH2 2.89Å; E92-R150 IonicContact OE2-CZ 3.33Å; E92-R150 IonicContact OE2-NE 3.52Å; E92-R150 IonicContact OE2-NH2 2.87Å; E92-R150 PolarHBondContact OE2-NH2 2.84Å; V99-R150 WeakPolarHBondContact O-CD 3.43Å; V99-R150 PolarHBondContact O-NE 3.26Å; E104-R150 PolarHBondContact OE1-N 2.89Å; P105-R150 PolarHBondContact O-N 3.36Å; P105-R150 VanDerWaalsContact O-N 3.15Å; E106-R150 WeakPolarHBondContact OE1-CD 2.96Å; E106-R150 IonicContact OE1-CZ 3.98Å; E106-R150 IonicContact OE1-NH1 3.61Å; E106-R150 PolarHBondContact OE1-NH1 3.11Å; E106-R150 VanDerWaalsContact OE2-CB 3.22Å; E106-R150 WeakPolarHBondContact OE2-CB 3.35Å; E106-R150 WeakPolarHBondContact OE2-CD 3.25Å; E106-R150 WeakPolarHBondContact OE2-CG 3.42Å; E106-R150 IonicContact OE2-NH1 2.81Å; F107-R150 PolarHBondContact N-O 2.8Å
151	I	98.9	Very high	98.7	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.005	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	123.1	-168.9	-51.5	167.7	0	0	0	109.2	E92 L93 F107 L131 I146 T149 I153 L369	E92-I151 CarbonylContact C-O 3.54Å; E92-I151 VanDerWaalsContact CA-O 3.26Å; E92-I151 WeakPolarHBondContact CA-O 3.24Å; L93-I151 HydrophobicContact CB-CB 4.46Å; L93-I151 PolarHBondContact N-O 3.43Å; L93-I151 PolarHBondContact O-N 3.47Å; F107-I151 HydrophobicContact CD1-CG2 4.06Å; L131-I151 HydrophobicContact CD1-CD1 4.34Å; I146-I151 HydrophobicContact CG1-CD1 4.34Å; T149-I151 HydrophobicContact CG2-CG1 3.94Å; I151-I153 HydrophobicContact CG2-CD1 4.34Å; I151-I153 HydrophobicContact CG2-CG1 4.09Å; I151-L369 HydrophobicContact CD1-CD1 4.4Å; I151-L369 HydrophobicContact CD1-CD2 3.72Å; I151-L369 HydrophobicContact CG1-CD1 4.14Å; I151-L369 HydrophobicContact CG1-CD2 4.35Å; I151-L369 HydrophobicContact CG2-CD1 4.39Å
152	H	98.9	Very high	98.8	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	123.1	175.9	-62.3	-80.7	0	0	0	112.4	Y77 V90 E92 E106 F107 K108 Y109 W235 F241	Y77-H152 AromaticContact CE1-CE1 3.98Å; Y77-H152 AromaticContact CE1-ND1 3.57Å; Y77-H152 AromaticContact CZ-ND1 3.67Å; Y77-H152 PolarHBondContact OH-CE1 3.18Å; Y77-H152 PolarHBondContact OH-ND1 2.78Å; V90-H152 HydrophobicContact CG1-CB 3.97Å; E92-H152 IonicContact OE2-CE1 2.77Å; E106-H152 IonicContact OE2-CD2 3.68Å; E106-H152 IonicContact OE2-NE2 3.58Å; E106-H152 PolarHBondContact OE2-NE2 2.92Å; F107-H152 WeakPolarHBondContact O-CB 3.44Å; F107-H152 PolarHBondContact O-N 3.1Å; K108-H152 CarbonylContact C-O 3.48Å; K108-H152 WeakPolarHBondContact CA-O 3.45Å; K108-H152 HydrophobicContact CB-CB 4.21Å; Y109-H152 PolarHBondContact N-O 3.3Å; H152-W235 HydrophobicContact CB-CH2 4.4Å; H152-W235 HydrophobicContact CB-CZ2 3.74Å; H152-F241 HydrophobicContact CB-CE1 4.2Å; H152-F241 HydrophobicContact CB-CZ 4.42Å; H152-F241 AromaticContact CD2-CE1 3.52Å; H152-F241 AromaticContact CD2-CZ 3.97Å
153	I	98.9	Very high	98.8	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	116.4	-177.1	-59.5	175.5	0	0	0	109.5	V90 I91 L93 L124 L127 A128 L131 I151 P155	V90-I153 VanDerWaalsContact CA-O 3.32Å; V90-I153 WeakPolarHBondContact CA-O 3.38Å; I91-I153 HydrophobicContact CG2-CB 3.85Å; I91-I153 HydrophobicContact CG2-CG2 4.36Å; I91-I153 PolarHBondContact N-O 2.96Å; I91-I153 PolarHBondContact O-N 3.36Å; L93-I153 HydrophobicContact CD1-CD1 3.95Å; L124-I153 HydrophobicContact CB-CG2 3.64Å; L124-I153 HydrophobicContact CD1-CG2 4.2Å; L124-I153 HydrophobicContact CD2-CG2 4.02Å; L124-I153 HydrophobicContact CG-CG2 4.13Å; L127-I153 HydrophobicContact CD2-CD1 4Å; L127-I153 HydrophobicContact CG-CD1 4.11Å; A128-I153 HydrophobicContact CB-CD1 4.33Å; L131-I153 HydrophobicContact CD1-CD1 4.07Å; I151-I153 HydrophobicContact CG2-CD1 4.34Å; I151-I153 HydrophobicContact CG2-CG1 4.09Å; I153-P155 HydrophobicContact CG2-CG 4.39Å; I153-P155 WeakPolarHBondContact O-CD 3.34Å
154	M	98.9	Very high	98.7	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	98.5	172.3	-176.7	-178.5	-66.8	0	0	109.6	V79 V90 Y109 I110 G111 L124 S156 L157 V232 W235	V79-M154 HydrophobicContact CB-CE 4.4Å; V79-M154 HydrophobicContact CG1-CE 4.02Å; V79-M154 HydrophobicContact CG2-CE 3.49Å; V79-M154 VanDerWaalsContact CG2-CE 3.49Å; V90-M154 HydrophobicContact CG2-CB 4.09Å; V90-M154 HydrophobicContact CG2-CE 3.62Å; V90-M154 HydrophobicContact CG2-CG 4.35Å; Y109-M154 PolarHBondContact O-N 2.85Å; I110-M154 WeakPolarHBondContact CA-O 3.45Å; I110-M154 HydrophobicContact CG1-CB 4.5Å; I110-M154 HydrophobicContact CG2-SD 4.13Å; G111-M154 PolarHBondContact N-O 3.36Å; L124-M154 WeakPolarHBondContact CD1-O 3.37Å; M154-S156 VanDerWaalsContact C-N 3.28Å; M154-S156 PolarHBondContact O-N 2.92Å; M154-L157 HydrophobicContact SD-CB 4Å; M154-L157 HydrophobicContact SD-CD1 4.03Å; M154-V232 HydrophobicContact CE-CG2 4.48Å; M154-W235 HydrophobicContact CB-CH2 4.41Å; M154-W235 HydrophobicContact CE-CD2 4.44Å; M154-W235 HydrophobicContact CE-CE3 3.8Å; M154-W235 HydrophobicContact CE-CH2 4.18Å; M154-W235 HydrophobicContact CE-CZ3 3.64Å
155	P	98.9	Very high	98.7	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.006	8%	0.077	C	C	.	.	S	Bend	trans	-68.4	-26.1	-176	-18.7	30.7	0	0	0	113.8	L59 L63 G111 R121 L124 I125 I153	L59-P155 HydrophobicContact CD1-CB 4.03Å; L63-P155 HydrophobicContact CD1-CG 4.26Å; L63-P155 HydrophobicContact CD2-CG 4.13Å; G111-P155 CarbonylContact C-O 3.54Å; R121-P155 VanDerWaalsContact CA-O 3.26Å; R121-P155 WeakPolarHBondContact CA-O 3.33Å; R121-P155 HydrophobicContact CG-CB 4.49Å; L124-P155 HydrophobicContact CB-CB 4.09Å; L124-P155 HydrophobicContact CB-CG 4.36Å; I125-P155 HydrophobicContact CG1-CB 3.98Å; I125-P155 HydrophobicContact CG1-CG 4.17Å; I153-P155 HydrophobicContact CG2-CG 4.39Å; I153-P155 WeakPolarHBondContact O-CD 3.34Å
156	S	98.9	Very high	98.6	Very high	6 Å²	6	16.3 Å²	16.3	4%	0.042	8%	0.082	C	C	.	.			trans	-147.1	109.4	-178.4	-173.8	0	0	0	0	112.7	G111 N112 R121 M154 P159	G111-S156 WeakPolarHBondContact O-CA 3.36Å; N112-S156 PolarHBondContact OD1-OG 2.97Å; R121-S156 PolarHBondContact NH1-OG 3.4Å; M154-S156 VanDerWaalsContact C-N 3.28Å; M154-S156 PolarHBondContact O-N 2.92Å; S156-P159 WeakPolarHBondContact OG-CA 3.32Å
157	L	98.9	Very high	98.4	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	-78.3	-31.1	169.2	176.4	54.3	0	0	0	112.1	L88 I110 G111 M113 M154 P159 L187 E228 V232 M326	L88-L157 HydrophobicContact CD1-CD1 4.24Å; L88-L157 VanDerWaalsContact CD2-O 3.31Å; L88-L157 WeakPolarHBondContact CD2-O 3.33Å; I110-L157 HydrophobicContact CG2-CB 3.94Å; I110-L157 HydrophobicContact CG2-CD2 4.19Å; G111-L157 PolarHBondContact O-N 3.28Å; M113-L157 HydrophobicContact CB-CB 4.14Å; M113-L157 HydrophobicContact CB-CD2 3.8Å; M113-L157 HydrophobicContact CB-CG 4.26Å; M113-L157 HydrophobicContact CE-CD2 4.44Å; M154-L157 HydrophobicContact SD-CB 4Å; M154-L157 HydrophobicContact SD-CD1 4.03Å; L157-P159 WeakPolarHBondContact O-CD 3.5Å; L157-L187 HydrophobicContact CG-CD1 4.1Å; L157-E228 HydrophobicContact CD1-CB 3.98Å; L157-V232 HydrophobicContact CD1-CG2 3.22Å; L157-V232 HydrophobicContact CD2-CG2 3.88Å; L157-V232 HydrophobicContact CG-CG2 4.2Å; L157-M326 HydrophobicContact CD2-SD 4.05Å
158	N	98.9	Very high	98.2	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.092	C	C	.	.			trans	-117.7	69.4	178.2	-174.5	8	0	0	0	112.3	N112 M113 G115 D160 G161 F162 R179 S180 N181 L187	N112-N158 WeakPolarHBondContact O-CB 3.24Å; N112-N158 PolarHBondContact O-N 3.47Å; M113-N158 WeakPolarHBondContact O-CB 3.5Å; M113-N158 PolarHBondContact O-ND2 3Å; G115-N158 PolarHBondContact N-ND2 3.06Å; N158-D160 PolarHBondContact O-N 3.43Å; N158-G161 PolarHBondContact O-N 2.79Å; N158-G161 WeakPolarHBondContact OD1-CA 3.49Å; N158-G161 PolarHBondContact OD1-N 3.36Å; N158-F162 PolarHBondContact O-N 3.42Å; N158-F162 VanDerWaalsContact O-N 3.1Å; N158-R179 PolarHBondContact ND2-O 3.4Å; N158-R179 VanDerWaalsContact ND2-O 3.08Å; N158-S180 VanDerWaalsContact ND2-C 3.26Å; N158-S180 PolarHBondContact ND2-O 3.37Å; N158-S180 VanDerWaalsContact ND2-O 3.09Å; N158-N181 PolarHBondContact ND2-N 2.7Å; N158-N181 WeakPolarHBondContact OD1-CA 3.24Å; N158-L187 HydrophobicContact CB-CD1 3.86Å
159	P	98.9	Very high	97.6	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.013	12%	0.115	C	C	.	.	H	α-helix	trans	-66.6	-26.8	-178.8	28.8	-36.4	0	0	0	112.6	Y56 R86 L88 S156 L157 F162 E163	Y56-P159 HydrophobicContact CD2-CB 3.88Å; Y56-P159 HydrophobicContact CE2-CB 4.33Å; R86-P159 HydrophobicContact CB-CB 4.3Å; R86-P159 HydrophobicContact CB-CG 3.88Å; L88-P159 HydrophobicContact CD2-CG 3.92Å; S156-P159 WeakPolarHBondContact OG-CA 3.32Å; L157-P159 WeakPolarHBondContact O-CD 3.5Å; P159-F162 PolarHBondContact O-N 3.13Å; P159-E163 WeakPolarHBondContact O-CG 3.25Å; P159-E163 PolarHBondContact O-N 3.26Å; P159-E163 VanDerWaalsContact O-N 3.08Å
160	D	98.8	Very high	96.6	Very high	6 Å²	6	23 Å²	23	3%	0.032	14%	0.143	C	C	.	.	H	α-helix	trans	-69.1	-45.6	177.7	-58.5	-5.2	0	0	0	111.2	S82 F83 E84 R86 N158 F162 E163 K164 A182	S82-D160 VanDerWaalsContact CB-CG 3.49Å; S82-D160 VanDerWaalsContact CB-OD1 3.25Å; S82-D160 WeakPolarHBondContact CB-OD1 3.21Å; S82-D160 VanDerWaalsContact CB-OD2 3.28Å; S82-D160 WeakPolarHBondContact CB-OD2 3.31Å; S82-D160 PolarHBondContact OG-OD1 3.16Å; S82-D160 PolarHBondContact OG-OD2 3.15Å; S82-D160 VanDerWaalsContact OG-OD2 3.08Å; F83-D160 PolarHBondContact N-OD2 3.2Å; E84-D160 WeakPolarHBondContact CB-OD2 3.23Å; E84-D160 HydrophobicContact CG-CB 4.43Å; E84-D160 WeakPolarHBondContact CG-OD2 3.33Å; E84-D160 PolarHBondContact N-OD2 3.49Å; R86-D160 WeakPolarHBondContact CD-OD1 3.45Å; R86-D160 IonicContact CZ-OD1 3.56Å; R86-D160 VanDerWaalsContact NH1-CG 3.28Å; R86-D160 IonicContact NH1-OD1 3.76Å; R86-D160 PolarHBondContact NH1-OD1 2.91Å; N158-D160 PolarHBondContact O-N 3.43Å; D160-F162 VanDerWaalsContact C-N 3.29Å; D160-F162 PolarHBondContact O-N 2.87Å; D160-E163 PolarHBondContact O-N 3.47Å; D160-K164 PolarHBondContact O-N 2.86Å; D160-A182 HydrophobicContact CB-CB 3.9Å
161	G	98.8	Very high	95.4	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-60.2	-39.8	173.3	0	0	0	0	0	111.9	N158 K164 A165 G178	N158-G161 PolarHBondContact O-N 2.79Å; N158-G161 WeakPolarHBondContact OD1-CA 3.49Å; N158-G161 PolarHBondContact OD1-N 3.36Å; G161-K164 WeakPolarHBondContact O-CB 3.32Å; G161-K164 PolarHBondContact O-N 3.49Å; G161-A165 WeakPolarHBondContact O-CB 3.42Å; G161-A165 PolarHBondContact O-N 3.11Å; G161-G178 CarbonylContact C-O 3.44Å; G161-G178 VanDerWaalsContact CA-O 3.25Å; G161-G178 WeakPolarHBondContact CA-O 3.43Å; G161-G178 WeakPolarHBondContact O-CA 3.12Å
162	F	98.8	Very high	94.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.1	-48.1	176.9	-178.5	-89.2	0	0	0	112.2	Y53 H54 R55 G115 A118 R121 N158 P159 D160 K164 A165 A166 F348	Y53-F162 HydrophobicContact CD1-CE2 4.35Å; Y53-F162 HydrophobicContact CD1-CZ 4.26Å; H54-F162 WeakPolarHBondContact O-CE1 3.4Å; R55-F162 HydrophobicContact CG-CE1 4.29Å; G115-F162 VanDerWaalsContact O-CA 3.31Å; G115-F162 WeakPolarHBondContact O-CA 3.04Å; G115-F162 WeakPolarHBondContact O-CD2 3.47Å; A118-F162 HydrophobicContact CB-CD2 4.42Å; A118-F162 HydrophobicContact CB-CE2 3.9Å; R121-F162 VanDerWaalsContact CD-CD2 3.49Å; N158-F162 PolarHBondContact O-N 3.42Å; N158-F162 VanDerWaalsContact O-N 3.1Å; P159-F162 PolarHBondContact O-N 3.13Å; D160-F162 VanDerWaalsContact C-N 3.29Å; D160-F162 PolarHBondContact O-N 2.87Å; F162-K164 PolarHBondContact O-N 3.18Å; F162-A165 PolarHBondContact O-N 2.97Å; F162-A165 VanDerWaalsContact O-N 3.07Å; F162-A166 HydrophobicContact CD1-CB 4.34Å; F162-A166 HydrophobicContact CE1-CB 3.97Å; F162-A166 HydrophobicContact CZ-CB 4.33Å; F162-A166 WeakPolarHBondContact O-CB 3.19Å; F162-A166 PolarHBondContact O-N 3.03Å; F162-F348 HydrophobicContact CD2-CE2 4.25Å; F162-F348 AromaticContact CE2-CE2 3.85Å; F162-F348 HydrophobicContact CE2-CE2 3.85Å; F162-F348 HydrophobicContact CE2-CZ 4.08Å; F162-F348 HydrophobicContact CZ-CE2 4.41Å; F162-F348 HydrophobicContact CZ-CZ 4.24Å
163	E	98.6	Very high	93.6	Very high	25 Å²	25	40.7 Å²	40.7	12%	0.117	23%	0.229	C	C	.	.	H	α-helix	trans	-58.5	-37.7	177.6	-72.8	-55.2	138.4	0	0	112.1	R55 Y56 P159 D160 S167	R55-E163 WeakPolarHBondContact CA-OE1 3.46Å; R55-E163 WeakPolarHBondContact CB-OE1 3.39Å; R55-E163 IonicContact NH1-OE2 3.78Å; R55-E163 PolarHBondContact NH1-OE2 3.06Å; Y56-E163 WeakPolarHBondContact CB-OE1 3.37Å; Y56-E163 PolarHBondContact N-OE1 2.8Å; P159-E163 WeakPolarHBondContact O-CG 3.25Å; P159-E163 PolarHBondContact O-N 3.26Å; P159-E163 VanDerWaalsContact O-N 3.08Å; D160-E163 PolarHBondContact O-N 3.47Å; E163-S167 VanDerWaalsContact O-CB 3.25Å; E163-S167 WeakPolarHBondContact O-CB 3.46Å; E163-S167 PolarHBondContact O-N 3.33Å; E163-S167 VanDerWaalsContact O-N 3.15Å; E163-S167 PolarHBondContact O-OG 2.77Å
164	K	97.9	Very high	93.3	Very high	137 Å²	137	44.6 Å²	44.6	60%	0.596	25%	0.249	S	C	*	.	H	α-helix	trans	-66.3	-44.4	174.6	-172.9	176.4	-178.2	177.9	0	111.8	D160 G161 F162 V177	D160-K164 PolarHBondContact O-N 2.86Å; G161-K164 WeakPolarHBondContact O-CB 3.32Å; G161-K164 PolarHBondContact O-N 3.49Å; F162-K164 PolarHBondContact O-N 3.18Å; K164-V177 HydrophobicContact CG-CG1 4.03Å
165	A	97.5	Very high	92.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-64.3	-47.9	178.1	0	0	0	0	0	112.1	N116 G161 F162 S167 Q168 F348	N116-A165 HydrophobicContact CB-CB 3.63Å; G161-A165 WeakPolarHBondContact O-CB 3.42Å; G161-A165 PolarHBondContact O-N 3.11Å; F162-A165 PolarHBondContact O-N 2.97Å; F162-A165 VanDerWaalsContact O-N 3.07Å; A165-S167 PolarHBondContact O-N 2.66Å; A165-Q168 WeakPolarHBondContact O-CB 3.38Å; A165-Q168 VanDerWaalsContact O-CG 3.28Å; A165-Q168 WeakPolarHBondContact O-CG 3.24Å; A165-Q168 PolarHBondContact O-N 2.59Å; A165-Q168 PolarHBondContact O-NE2 3.03Å; A165-F348 HydrophobicContact CB-CD2 4.03Å; A165-F348 HydrophobicContact CB-CE2 3.97Å
166	A	96.5	Very high	92.5	Very high	17 Å²	17	54.6 Å²	54.6	14%	0.14	29%	0.292	C	S	.	.	H	α-helix	trans	-68.6	-19.7	-178.4	0	0	0	0	0	113.4	R55 F162 F348	R55-A166 HydrophobicContact CG-CB 4.48Å; R55-A166 PolarHBondContact NH2-O 2.98Å; F162-A166 HydrophobicContact CD1-CB 4.34Å; F162-A166 HydrophobicContact CE1-CB 3.97Å; F162-A166 HydrophobicContact CZ-CB 4.33Å; F162-A166 WeakPolarHBondContact O-CB 3.19Å; F162-A166 PolarHBondContact O-N 3.03Å; A166-F348 HydrophobicContact CB-CE2 4.32Å; A166-F348 HydrophobicContact CB-CZ 3.95Å
167	S	95.6	Very high	92.4	Very high	68 Å²	68	56.6 Å²	56.6	48%	0.476	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-2.2	177.5	-59.6	0	0	0	0	114	R55 E163 A165	R55-S167 PolarHBondContact NH1-OG 2.92Å; R55-S167 PolarHBondContact NH2-OG 3.22Å; E163-S167 VanDerWaalsContact O-CB 3.25Å; E163-S167 WeakPolarHBondContact O-CB 3.46Å; E163-S167 PolarHBondContact O-N 3.33Å; E163-S167 VanDerWaalsContact O-N 3.15Å; E163-S167 PolarHBondContact O-OG 2.77Å; A165-S167 PolarHBondContact O-N 2.66Å
168	Q	92.7	Very high	92.3	Very high	26 Å²	26	56.8 Å²	56.8	12%	0.121	31%	0.305	C	S	.	.			trans	-65.2	135.6	174.6	-66.3	-177.9	74	0	0	111.1	A165 K173 V177	A165-Q168 WeakPolarHBondContact O-CB 3.38Å; A165-Q168 VanDerWaalsContact O-CG 3.28Å; A165-Q168 WeakPolarHBondContact O-CG 3.24Å; A165-Q168 PolarHBondContact O-N 2.59Å; A165-Q168 PolarHBondContact O-NE2 3.03Å; Q168-K173 HydrophobicContact CB-CD 3.86Å; Q168-K173 PolarHBondContact O-NZ 3.49Å; Q168-V177 VanDerWaalsContact CD-CB 3.49Å; Q168-V177 VanDerWaalsContact CD-CG1 3.42Å; Q168-V177 HydrophobicContact CG-CB 4.21Å; Q168-V177 HydrophobicContact CG-CG1 3.58Å; Q168-V177 PolarHBondContact NE2-O 3.49Å
169	P	85.8	Confident	92.3	Very high	121 Å²	121	58.6 Å²	58.6	79%	0.786	31%	0.312	S	S	*	.			trans	-73.2	158.7	174.4	32.6	-35.1	0	0	0	111.2
170	G	79.1	Confident	92.3	Very high	57 Å²	57	60.4 Å²	60.4	59%	0.588	32%	0.324	S	S	*	.	S	Bend	trans	83.7	164.4	178.3	0	0	0	0	0	114	K173	G170-K173 PolarHBondContact O-NZ 3.34Å
171	E	72.9	Confident	92.3	Very high	180 Å²	180	60.4 Å²	60.4	84%	0.841	33%	0.325	S	S	*	.	S	Bend	trans	-75.2	-40.8	179	-66.7	176.7	176.7	0	0	111.1
172	L	76.8	Confident	92.2	Very high	149 Å²	149	62.4 Å²	62.4	78%	0.78	34%	0.341	S	S	*	.	S	Bend	trans	-84.1	115	176	-72.7	160.4	0	0	0	110.8
173	K	84.7	Confident	92.1	Very high	58 Å²	58	66.6 Å²	66.6	25%	0.252	36%	0.36	S	S	.	.			trans	-84.5	144.5	177.1	-54.5	-59.5	-178.4	-159.3	0	111.1	Q168 G170 F348	Q168-K173 HydrophobicContact CB-CD 3.86Å; Q168-K173 PolarHBondContact O-NZ 3.49Å; G170-K173 PolarHBondContact O-NZ 3.34Å; K173-F348 HydrophobicContact CB-CB 4.14Å; K173-F348 HydrophobicContact CG-CB 3.94Å; K173-F348 HydrophobicContact CG-CD1 3.95Å; K173-F348 HydrophobicContact CG-CG 4Å
174	D	91.4	Very high	92.1	Very high	82 Å²	82	68 Å²	68	44%	0.439	38%	0.382	S	S	.	.			trans	-65.5	143.6	172.9	-178.4	-85.6	0	0	0	111.2	F176 V177	D174-F176 VanDerWaalsContact C-N 3.28Å; D174-F176 PolarHBondContact O-N 3.47Å; D174-F176 PolarHBondContact OD1-N 3.23Å; D174-V177 HydrophobicContact CB-CB 4.04Å; D174-V177 HydrophobicContact CB-CG2 3.74Å; D174-V177 PolarHBondContact OD1-N 3.49Å
175	W	89.1	Confident	92.1	Very high	68 Å²	68	63.6 Å²	63.6	26%	0.258	36%	0.364	S	S	.	.	S	Bend	trans	-68.9	-20.3	-173.6	-169.4	-99.4	0	0	0	114.8	N116 R301 C345 K347	N116-W175 VanDerWaalsContact ND2-C 3.31Å; N116-W175 PolarHBondContact ND2-O 3.44Å; W175-R301 VanDerWaalsContact CZ3-NH2 3.35Å; W175-C345 WeakPolarHBondContact CH2-O 3.45Å; W175-K347 HydrophobicContact CD2-CD 3.85Å; W175-K347 HydrophobicContact CD2-CG 4.39Å; W175-K347 HydrophobicContact CE3-CD 4.05Å; W175-K347 HydrophobicContact CE3-CG 4.1Å; W175-K347 HydrophobicContact CH2-CD 4.09Å; W175-K347 HydrophobicContact CH2-CG 3.8Å; W175-K347 HydrophobicContact CZ2-CD 3.87Å; W175-K347 HydrophobicContact CZ2-CG 4.08Å; W175-K347 HydrophobicContact CZ3-CD 4.17Å; W175-K347 HydrophobicContact CZ3-CG 3.8Å
176	F	93.3	Very high	92.2	Very high	144 Å²	144	65.2 Å²	65.2	63%	0.632	37%	0.373	S	S	*	.	S	Bend	trans	-118.3	-24.1	-174.7	-63.8	-74.5	0	0	0	113.5	D174 G178 R179	D174-F176 VanDerWaalsContact C-N 3.28Å; D174-F176 PolarHBondContact O-N 3.47Å; D174-F176 PolarHBondContact OD1-N 3.23Å; F176-G178 PolarHBondContact O-N 2.91Å; F176-G178 VanDerWaalsContact O-N 3.09Å; F176-R179 WeakPolarHBondContact O-CB 3.38Å; F176-R179 PolarHBondContact O-N 3.27Å
177	V	95.9	Very high	92.3	Very high	48 Å²	48	64.4 Å²	64.4	29%	0.291	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	116.3	179.8	174.1	0	0	0	0	110.7	N116 K164 Q168 D174	N116-V177 WeakPolarHBondContact CB-O 3.33Å; K164-V177 HydrophobicContact CG-CG1 4.03Å; Q168-V177 VanDerWaalsContact CD-CB 3.49Å; Q168-V177 VanDerWaalsContact CD-CG1 3.42Å; Q168-V177 HydrophobicContact CG-CB 4.21Å; Q168-V177 HydrophobicContact CG-CG1 3.58Å; Q168-V177 PolarHBondContact NE2-O 3.49Å; D174-V177 HydrophobicContact CB-CB 4.04Å; D174-V177 HydrophobicContact CB-CG2 3.74Å; D174-V177 PolarHBondContact OD1-N 3.49Å
178	G	97	Very high	92.4	Very high	3 Å²	3	61.5 Å²	61.5	3%	0.031	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.7	2	-179.9	0	0	0	0	0	114.6	G115 N116 G161 F176	G115-G178 CarbonylContact C-O 3.55Å; G115-G178 WeakPolarHBondContact CA-O 3.22Å; G115-G178 PolarHBondContact N-O 3.49Å; N116-G178 PolarHBondContact N-O 3.29Å; G161-G178 CarbonylContact C-O 3.44Å; G161-G178 VanDerWaalsContact CA-O 3.25Å; G161-G178 WeakPolarHBondContact CA-O 3.43Å; G161-G178 WeakPolarHBondContact O-CA 3.12Å; F176-G178 PolarHBondContact O-N 2.91Å; F176-G178 VanDerWaalsContact O-N 3.09Å
179	R	98.4	Very high	92.7	Very high	38 Å²	38	64.3 Å²	64.3	14%	0.143	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-59.7	173.6	-177.7	-175.3	167.8	90.8	-7.4	111.7	H114 G115 N116 E117 N158 F176 D186	H114-R179 VanDerWaalsContact CA-O 3.3Å; H114-R179 WeakPolarHBondContact CA-O 3.43Å; H114-R179 HydrophobicContact CB-CG 3.9Å; H114-R179 PolarHBondContact CE1-NH1 3.43Å; H114-R179 PolarHBondContact CE1-NH2 3.3Å; H114-R179 PolarHBondContact ND1-NH1 3.43Å; H114-R179 VanDerWaalsContact ND1-NH1 3.15Å; H114-R179 VanDerWaalsContact NE2-CZ 3.3Å; H114-R179 PolarHBondContact NE2-NH2 3.13Å; H114-R179 VanDerWaalsContact NE2-NH2 3.2Å; G115-R179 PolarHBondContact N-O 3.23Å; N116-R179 VanDerWaalsContact OD1-CA 3.24Å; N116-R179 WeakPolarHBondContact OD1-CA 3.39Å; N116-R179 WeakPolarHBondContact OD1-CB 3.47Å; E117-R179 IonicContact OE1-NH1 3.32Å; E117-R179 PolarHBondContact OE1-NH1 3.14Å; N158-R179 PolarHBondContact ND2-O 3.4Å; N158-R179 VanDerWaalsContact ND2-O 3.08Å; F176-R179 WeakPolarHBondContact O-CB 3.38Å; F176-R179 PolarHBondContact O-N 3.27Å; R179-D186 IonicContact CZ-OD2 3.13Å; R179-D186 IonicContact NE-OD2 3.71Å; R179-D186 PolarHBondContact NE-OD2 3.03Å; R179-D186 IonicContact NH2-OD2 2.76Å; R179-D186 PolarHBondContact NH2-OD2 2.97Å
180	S	98.4	Very high	93.3	Very high	40 Å²	40	59.5 Å²	59.5	28%	0.28	32%	0.323	S	S	.	.	S	Bend	trans	-68.9	163.5	179.1	-55	0	0	0	0	112.1	N158 I185	N158-S180 VanDerWaalsContact ND2-C 3.26Å; N158-S180 PolarHBondContact ND2-O 3.37Å; N158-S180 VanDerWaalsContact ND2-O 3.09Å; S180-I185 CarbonylContact C-O 3.42Å; S180-I185 VanDerWaalsContact CA-O 3.31Å; S180-I185 WeakPolarHBondContact CA-O 3.36Å; S180-I185 WeakPolarHBondContact CB-O 3.43Å
181	N	98.3	Very high	94.2	Very high	7 Å²	7	57.2 Å²	57.2	4%	0.037	30%	0.297	C	S	.	.			trans	-67	179.5	169.2	83.8	-16.3	0	0	0	111.4	N158 Q183 G184 I185 L187 A226 E228	N158-N181 PolarHBondContact ND2-N 2.7Å; N158-N181 WeakPolarHBondContact OD1-CA 3.24Å; N181-Q183 PolarHBondContact ND2-OE1 3.12Å; N181-Q183 PolarHBondContact O-N 3.32Å; N181-Q183 VanDerWaalsContact O-N 3.1Å; N181-Q183 WeakPolarHBondContact OD1-CA 3.34Å; N181-Q183 WeakPolarHBondContact OD1-CB 3.28Å; N181-Q183 PolarHBondContact OD1-N 3.32Å; N181-G184 PolarHBondContact O-N 2.98Å; N181-G184 PolarHBondContact OD1-N 2.63Å; N181-I185 PolarHBondContact N-O 2.93Å; N181-I185 WeakPolarHBondContact OD1-CB 3.31Å; N181-I185 PolarHBondContact OD1-N 2.84Å; N181-I185 PolarHBondContact OD1-O 3.47Å; N181-L187 HydrophobicContact CB-CD1 4.49Å; N181-L187 HydrophobicContact CB-CD2 3.99Å; N181-L187 HydrophobicContact CB-CG 4.22Å; N181-A226 WeakPolarHBondContact ND2-CB 3.17Å; N181-E228 PolarHBondContact ND2-OE2 3.3Å
182	A	97.8	Very high	95.3	Very high	42 Å²	42	50 Å²	50	35%	0.347	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-20	-179.3	0	0	0	0	0	114.4	F83 E84 D160 G184	F83-A182 HydrophobicContact CB-CB 4.16Å; F83-A182 HydrophobicContact CD1-CB 3.8Å; F83-A182 HydrophobicContact CG-CB 4.4Å; E84-A182 HydrophobicContact CG-CB 3.71Å; D160-A182 HydrophobicContact CB-CB 3.9Å; A182-G184 VanDerWaalsContact C-N 3.32Å
183	Q	97.5	Very high	96.2	Very high	88 Å²	88	45.5 Å²	45.5	41%	0.411	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-2	175.5	-56.7	179.3	-88.9	0	0	113.1	F83 N181 I185 P227	F83-Q183 HydrophobicContact CB-CG 4.1Å; F83-Q183 HydrophobicContact CD1-CG 3.77Å; F83-Q183 HydrophobicContact CD2-CG 3.33Å; F83-Q183 HydrophobicContact CE1-CG 3.95Å; F83-Q183 VanDerWaalsContact CE2-CD 3.45Å; F83-Q183 HydrophobicContact CE2-CG 3.54Å; F83-Q183 HydrophobicContact CG-CG 3.44Å; F83-Q183 VanDerWaalsContact CG-CG 3.44Å; F83-Q183 HydrophobicContact CZ-CG 3.84Å; N181-Q183 PolarHBondContact ND2-OE1 3.12Å; N181-Q183 PolarHBondContact O-N 3.32Å; N181-Q183 VanDerWaalsContact O-N 3.1Å; N181-Q183 WeakPolarHBondContact OD1-CA 3.34Å; N181-Q183 WeakPolarHBondContact OD1-CB 3.28Å; N181-Q183 PolarHBondContact OD1-N 3.32Å; Q183-I185 VanDerWaalsContact C-N 3.33Å; Q183-I185 HydrophobicContact CB-CD1 4Å; Q183-I185 HydrophobicContact CB-CG1 4.1Å; Q183-P227 VanDerWaalsContact OE1-CD 3.22Å
184	G	97.6	Very high	96.8	Very high	56 Å²	56	42.9 Å²	42.9	58%	0.577	23%	0.231	S	C	*	.	S	Bend	trans	78.1	16.1	-173.6	0	0	0	0	0	113.9	N181 A182	N181-G184 PolarHBondContact O-N 2.98Å; N181-G184 PolarHBondContact OD1-N 2.63Å; A182-G184 VanDerWaalsContact C-N 3.32Å
185	I	98.4	Very high	97.1	Very high	43 Å²	43	39 Å²	39	22%	0.221	21%	0.21	C	C	.	.			trans	-87.9	130.2	177.3	-60.5	170.1	0	0	0	109.1	S180 N181 Q183 L187 N190 A226	S180-I185 CarbonylContact C-O 3.42Å; S180-I185 VanDerWaalsContact CA-O 3.31Å; S180-I185 WeakPolarHBondContact CA-O 3.36Å; S180-I185 WeakPolarHBondContact CB-O 3.43Å; N181-I185 PolarHBondContact N-O 2.93Å; N181-I185 WeakPolarHBondContact OD1-CB 3.31Å; N181-I185 PolarHBondContact OD1-N 2.84Å; N181-I185 PolarHBondContact OD1-O 3.47Å; Q183-I185 VanDerWaalsContact C-N 3.33Å; Q183-I185 HydrophobicContact CB-CD1 4Å; Q183-I185 HydrophobicContact CB-CG1 4.1Å; I185-L187 PolarHBondContact O-N 3.4Å; I185-N190 HydrophobicContact CG2-CB 3.83Å; I185-A226 HydrophobicContact CD1-CB 4.12Å; I185-A226 HydrophobicContact CG2-CB 4.4Å
186	D	98.6	Very high	97.4	Very high	34 Å²	34	40.3 Å²	40.3	18%	0.182	22%	0.215	C	C	.	.			trans	-75.7	110.8	166.2	-172.5	-42.5	0	0	0	108.3	H114 R179 N188 R189 N190	H114-D186 IonicContact CD2-OD1 2.73Å; H114-D186 IonicContact NE2-OD1 3.72Å; H114-D186 PolarHBondContact NE2-OD1 3.02Å; H114-D186 IonicContact NE2-OD2 2.78Å; R179-D186 IonicContact CZ-OD2 3.13Å; R179-D186 IonicContact NE-OD2 3.71Å; R179-D186 PolarHBondContact NE-OD2 3.03Å; R179-D186 IonicContact NH2-OD2 2.76Å; R179-D186 PolarHBondContact NH2-OD2 2.97Å; D186-N188 PolarHBondContact O-N 2.78Å; D186-N188 PolarHBondContact OD1-N 3.09Å; D186-R189 HydrophobicContact CB-CB 4.29Å; D186-R189 HydrophobicContact CB-CG 4.22Å; D186-R189 PolarHBondContact O-N 2.69Å; D186-R189 VanDerWaalsContact O-N 3.07Å; D186-N190 PolarHBondContact O-N 2.77Å
187	L	98.8	Very high	97.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-64.4	-27.8	-175.6	-63.3	-174.8	0	0	0	112.2	M113 L157 N158 N181 I185 R189 N190 F191 A226 E228	M113-L187 HydrophobicContact CE-CB 4.17Å; L157-L187 HydrophobicContact CG-CD1 4.1Å; N158-L187 HydrophobicContact CB-CD1 3.86Å; N181-L187 HydrophobicContact CB-CD1 4.49Å; N181-L187 HydrophobicContact CB-CD2 3.99Å; N181-L187 HydrophobicContact CB-CG 4.22Å; I185-L187 PolarHBondContact O-N 3.4Å; L187-R189 PolarHBondContact O-N 2.67Å; L187-N190 PolarHBondContact O-N 2.58Å; L187-F191 WeakPolarHBondContact O-CD2 3.39Å; L187-F191 WeakPolarHBondContact O-CE2 3.42Å; L187-A226 HydrophobicContact CD2-CB 3.6Å; L187-E228 HydrophobicContact CD1-CB 3.74Å; L187-E228 HydrophobicContact CD1-CG 4.13Å; L187-E228 HydrophobicContact CD2-CB 4.1Å
188	N	98.6	Very high	97.6	Very high	8 Å²	8	34.2 Å²	34.2	4%	0.043	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-86.8	15.3	177.1	-155.1	25.6	0	0	0	112.7	M113 D186 G324 G325 M326	M113-N188 HydrophobicContact CE-CB 3.44Å; M113-N188 VanDerWaalsContact CE-CB 3.44Å; M113-N188 HydrophobicContact SD-CB 3.74Å; D186-N188 PolarHBondContact O-N 2.78Å; D186-N188 PolarHBondContact OD1-N 3.09Å; N188-G324 CarbonylContact C-O 3.56Å; N188-G325 WeakPolarHBondContact O-CA 3.49Å; N188-G325 VanDerWaalsContact OD1-CA 3.26Å; N188-G325 WeakPolarHBondContact OD1-CA 3.46Å; N188-M326 PolarHBondContact OD1-N 2.95Å
189	R	98.3	Very high	97.6	Very high	84 Å²	84	34.5 Å²	34.5	32%	0.317	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-129	12.6	166.6	-60.1	-64.3	-178.3	-76.8	-1	111.4	D186 L187 P323 G324	D186-R189 HydrophobicContact CB-CB 4.29Å; D186-R189 HydrophobicContact CB-CG 4.22Å; D186-R189 PolarHBondContact O-N 2.69Å; D186-R189 VanDerWaalsContact O-N 3.07Å; L187-R189 PolarHBondContact O-N 2.67Å; R189-P323 WeakPolarHBondContact CD-O 3.25Å; R189-G324 CarbonylContact C-O 3.6Å; R189-G324 VanDerWaalsContact C-O 3.29Å; R189-G324 WeakPolarHBondContact CA-O 3.21Å
190	N	98.4	Very high	97.5	Very high	21 Å²	21	35.9 Å²	35.9	11%	0.112	20%	0.2	C	C	.	.			trans	-110.3	-8.1	-170.4	-164.5	-129	0	0	0	113.6	I185 D186 L187 K224 L225 A226 T229 G324	I185-N190 HydrophobicContact CG2-CB 3.83Å; D186-N190 PolarHBondContact O-N 2.77Å; L187-N190 PolarHBondContact O-N 2.58Å; N190-K224 PolarHBondContact ND2-O 2.94Å; N190-L225 WeakPolarHBondContact O-CD2 3.44Å; N190-L225 WeakPolarHBondContact OD1-CA 3.35Å; N190-A226 WeakPolarHBondContact OD1-CB 3.18Å; N190-A226 PolarHBondContact OD1-N 2.92Å; N190-T229 HydrophobicContact CB-CG2 4.44Å; N190-T229 WeakPolarHBondContact OD1-CB 3.32Å; N190-T229 PolarHBondContact OD1-OG1 2.94Å; N190-T229 VanDerWaalsContact OD1-OG1 3.11Å; N190-G324 PolarHBondContact N-O 2.9Å
191	F	97.9	Very high	97.5	Very high	8 Å²	8	35.4 Å²	35.4	4%	0.035	19%	0.194	C	C	.	.	S	Bend	trans	-73.6	152.1	174.8	-72.7	-101	0	0	0	110.7	M113 L187 D193 T229 V232 I233 G324 M326 F329	M113-F191 HydrophobicContact CE-CE2 4.36Å; L187-F191 WeakPolarHBondContact O-CD2 3.39Å; L187-F191 WeakPolarHBondContact O-CE2 3.42Å; F191-D193 PolarHBondContact O-N 3.09Å; F191-T229 HydrophobicContact CD1-CG2 4.06Å; F191-T229 HydrophobicContact CD2-CG2 4.01Å; F191-T229 HydrophobicContact CE1-CG2 4.06Å; F191-T229 HydrophobicContact CE2-CG2 3.97Å; F191-T229 HydrophobicContact CG-CG2 4.05Å; F191-T229 HydrophobicContact CZ-CG2 4Å; F191-V232 HydrophobicContact CE1-CG1 4.23Å; F191-V232 HydrophobicContact CZ-CB 4.3Å; F191-V232 HydrophobicContact CZ-CG1 4.07Å; F191-I233 HydrophobicContact CD1-CD1 4.04Å; F191-I233 HydrophobicContact CD1-CG1 3.8Å; F191-I233 HydrophobicContact CE1-CD1 4.31Å; F191-I233 HydrophobicContact CE1-CG1 3.68Å; F191-G324 PolarHBondContact N-O 3.26Å; F191-G324 WeakPolarHBondContact O-CA 3.06Å; F191-M326 HydrophobicContact CD2-CB 3.85Å; F191-M326 HydrophobicContact CD2-CG 4.39Å; F191-M326 HydrophobicContact CE1-CB 4.35Å; F191-M326 HydrophobicContact CE1-CG 3.86Å; F191-M326 HydrophobicContact CE1-SD 4.4Å; F191-M326 HydrophobicContact CE2-CB 3.54Å; F191-M326 HydrophobicContact CE2-CG 3.77Å; F191-M326 HydrophobicContact CE2-SD 4.02Å; F191-M326 HydrophobicContact CG-CB 4.41Å; F191-M326 HydrophobicContact CZ-CB 3.81Å; F191-M326 HydrophobicContact CZ-CG 3.46Å; F191-M326 VanDerWaalsContact CZ-CG 3.46Å; F191-M326 HydrophobicContact CZ-SD 3.58Å; F191-M326 VanDerWaalsContact CZ-SD 3.58Å; F191-F329 HydrophobicContact CB-CB 3.96Å; F191-F329 HydrophobicContact CB-CD2 4.22Å; F191-F329 HydrophobicContact CB-CG 4.11Å; F191-F329 HydrophobicContact CD1-CB 3.96Å; F191-F329 AromaticContact CD1-CD1 3.56Å; F191-F329 HydrophobicContact CD1-CD1 3.56Å; F191-F329 HydrophobicContact CD1-CD2 4.15Å; F191-F329 HydrophobicContact CD1-CE1 4.09Å; F191-F329 AromaticContact CD1-CG 3.59Å; F191-F329 HydrophobicContact CD1-CG 3.59Å; F191-F329 HydrophobicContact CE1-CD1 4.02Å; F191-F329 HydrophobicContact CE1-CE1 4.41Å; F191-F329 HydrophobicContact CE1-CG 4.48Å; F191-F329 HydrophobicContact CG-CB 4.2Å; F191-F329 HydrophobicContact CG-CG 4.24Å
192	P	96.2	Very high	97.3	Very high	29 Å²	29	38 Å²	38	19%	0.188	21%	0.206	C	C	.	.			trans	-53.4	124.2	168.3	-24.5	34.3	0	0	0	110.4	L194 L212 I233 F329	P192-L194 HydrophobicContact CB-CD2 4.31Å; P192-L194 PolarHBondContact O-N 3.48Å; P192-L212 HydrophobicContact CB-CD1 4.09Å; P192-I233 HydrophobicContact CG-CD1 4.42Å; P192-F329 HydrophobicContact CB-CD2 4.39Å; P192-F329 HydrophobicContact CB-CE2 4.27Å; P192-F329 HydrophobicContact CG-CD2 4.36Å; P192-F329 HydrophobicContact CG-CE2 3.93Å
193	D	95.4	Very high	97.2	Very high	55 Å²	55	44.3 Å²	44.3	29%	0.294	23%	0.225	S	C	.	.			trans	-74.1	103.8	176.4	179.4	-10.7	0	0	0	109.3	F191 D195 R196	F191-D193 PolarHBondContact O-N 3.09Å; D193-D195 PolarHBondContact OD1-N 3.24Å; D193-R196 PolarHBondContact OD1-N 3.46Å
194	L	97.1	Very high	97.1	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.01	24%	0.242	C	C	.	.			trans	-97.8	-16.4	-177.6	-61.8	-172	0	0	0	112.4	P192 R196 I197 V198 L211 L212 F329 L332	P192-L194 HydrophobicContact CB-CD2 4.31Å; P192-L194 PolarHBondContact O-N 3.48Å; L194-R196 VanDerWaalsContact C-N 3.32Å; L194-R196 PolarHBondContact O-N 2.97Å; L194-I197 HydrophobicContact CD2-CD1 3.94Å; L194-I197 WeakPolarHBondContact O-CA 3.33Å; L194-I197 WeakPolarHBondContact O-CB 3.35Å; L194-I197 PolarHBondContact O-N 2.61Å; L194-V198 PolarHBondContact O-N 3.03Å; L194-L211 HydrophobicContact CB-CD1 4.3Å; L194-L212 HydrophobicContact CD2-CD1 3.5Å; L194-L212 VanDerWaalsContact CD2-CD1 3.5Å; L194-L212 HydrophobicContact CD2-CD2 4.28Å; L194-L212 HydrophobicContact CD2-CG 3.6Å; L194-F329 HydrophobicContact CD1-CD2 3.96Å; L194-F329 HydrophobicContact CD1-CE2 4.23Å; L194-F329 HydrophobicContact CG-CD2 4.34Å; L194-L332 HydrophobicContact CB-CB 3.66Å; L194-L332 HydrophobicContact CB-CD1 3.62Å; L194-L332 HydrophobicContact CB-CG 4.29Å; L194-L332 HydrophobicContact CD1-CB 3.76Å; L194-L332 HydrophobicContact CG-CB 4.34Å
195	D	97.9	Very high	97	Very high	2 Å²	2	48 Å²	48	1%	0.011	24%	0.243	C	C	.	.	H	α-helix	trans	-57.7	-46.5	178.3	-60.5	-91.8	0	0	0	110.5	D193 I197 V198 Y199 Y258 E260 D328	D193-D195 PolarHBondContact OD1-N 3.24Å; D195-I197 PolarHBondContact O-N 2.89Å; D195-I197 VanDerWaalsContact O-N 3.16Å; D195-V198 WeakPolarHBondContact O-CG1 3.21Å; D195-V198 PolarHBondContact O-N 3.41Å; D195-Y199 HydrophobicContact CB-CE2 3.97Å; D195-Y199 WeakPolarHBondContact O-CB 3.46Å; D195-Y199 WeakPolarHBondContact O-CD1 3.36Å; D195-Y199 WeakPolarHBondContact O-CD2 3.21Å; D195-Y199 PolarHBondContact O-N 2.9Å; D195-Y258 WeakPolarHBondContact OD1-CD1 3.43Å; D195-E260 HydrophobicContact CB-CB 3.88Å; D195-E260 VanDerWaalsContact CB-OE2 3.31Å; D195-E260 WeakPolarHBondContact CB-OE2 3.33Å; D195-D328 WeakPolarHBondContact OD1-CB 3.3Å
196	R	95.1	Very high	96.8	Very high	94 Å²	94	48 Å²	48	36%	0.355	25%	0.254	S	S	.	.	H	α-helix	trans	-59	-30.1	174.3	-63	-59.4	174.8	-164.3	-14	113.8	D193 L194 V200 E260 T261 R262	D193-R196 PolarHBondContact OD1-N 3.46Å; L194-R196 VanDerWaalsContact C-N 3.32Å; L194-R196 PolarHBondContact O-N 2.97Å; R196-V200 WeakPolarHBondContact O-CG2 3.32Å; R196-E260 WeakPolarHBondContact CD-OE2 3.31Å; R196-E260 WeakPolarHBondContact CG-OE2 3.32Å; R196-E260 VanDerWaalsContact CZ-CD 3.47Å; R196-E260 IonicContact CZ-OE1 3.69Å; R196-E260 IonicContact CZ-OE2 2.83Å; R196-E260 IonicContact NE-OE1 3.97Å; R196-E260 PolarHBondContact NE-OE1 3.44Å; R196-E260 IonicContact NE-OE2 3.52Å; R196-E260 PolarHBondContact NE-OE2 3.1Å; R196-E260 IonicContact NH2-OE1 2.73Å; R196-E260 PolarHBondContact NH2-OE1 3.43Å; R196-E260 IonicContact NH2-OE2 3.44Å; R196-T261 PolarHBondContact NH1-O 3.35Å; R196-T261 PolarHBondContact NH2-O 3.19Å; R196-T261 VanDerWaalsContact NH2-O 3.09Å; R196-R262 PolarHBondContact NH1-O 2.76Å
197	I	96.4	Very high	96.7	Very high	61 Å²	61	50.1 Å²	50.1	31%	0.313	27%	0.27	S	S	.	.	H	α-helix	trans	-76.6	-49	176.2	-60.6	169.7	0	0	0	109.8	L194 D195 Y199 V200 N201 L211 L212	L194-I197 HydrophobicContact CD2-CD1 3.94Å; L194-I197 WeakPolarHBondContact O-CA 3.33Å; L194-I197 WeakPolarHBondContact O-CB 3.35Å; L194-I197 PolarHBondContact O-N 2.61Å; D195-I197 PolarHBondContact O-N 2.89Å; D195-I197 VanDerWaalsContact O-N 3.16Å; I197-Y199 VanDerWaalsContact C-N 3.31Å; I197-Y199 PolarHBondContact O-N 2.78Å; I197-V200 PolarHBondContact O-N 3.28Å; I197-N201 PolarHBondContact O-N 2.66Å; I197-N201 PolarHBondContact O-OD1 2.67Å; I197-L211 HydrophobicContact CB-CD1 4.26Å; I197-L211 HydrophobicContact CG2-CB 4.47Å; I197-L211 HydrophobicContact CG2-CD1 4.12Å; I197-L212 HydrophobicContact CD1-CD2 4.28Å
198	V	97.9	Very high	96.6	Very high	3 Å²	3	51 Å²	51	2%	0.018	27%	0.274	C	S	.	.	H	α-helix	trans	-64	-37.4	-177.7	87.4	0	0	0	0	111.6	L194 D195 V200 N201 E202 L211 Y258 L332	L194-V198 PolarHBondContact O-N 3.03Å; D195-V198 WeakPolarHBondContact O-CG1 3.21Å; D195-V198 PolarHBondContact O-N 3.41Å; V198-V200 PolarHBondContact O-N 2.82Å; V198-N201 PolarHBondContact O-N 3.06Å; V198-N201 VanDerWaalsContact O-N 3.1Å; V198-E202 WeakPolarHBondContact O-CG 3.21Å; V198-E202 PolarHBondContact O-N 2.99Å; V198-L211 HydrophobicContact CB-CD1 3.73Å; V198-L211 HydrophobicContact CG2-CD1 4.09Å; V198-Y258 HydrophobicContact CG1-CE2 4.48Å; V198-L332 HydrophobicContact CB-CD1 4.38Å; V198-L332 HydrophobicContact CB-CD2 3.87Å; V198-L332 HydrophobicContact CG1-CD1 4.08Å; V198-L332 HydrophobicContact CG1-CD2 3.96Å; V198-L332 HydrophobicContact CG2-CD2 3.8Å
199	Y	97.4	Very high	96.5	Very high	10 Å²	10	51.6 Å²	51.6	4%	0.039	28%	0.277	C	S	.	.	H	α-helix	trans	-65.9	-26.2	178.9	-62.6	-11.2	0	0	0	113.6	D195 I197 K203 Y258 E260 R262	D195-Y199 HydrophobicContact CB-CE2 3.97Å; D195-Y199 WeakPolarHBondContact O-CB 3.46Å; D195-Y199 WeakPolarHBondContact O-CD1 3.36Å; D195-Y199 WeakPolarHBondContact O-CD2 3.21Å; D195-Y199 PolarHBondContact O-N 2.9Å; I197-Y199 VanDerWaalsContact C-N 3.31Å; I197-Y199 PolarHBondContact O-N 2.78Å; Y199-K203 WeakPolarHBondContact O-CG 3.35Å; Y199-Y258 AromaticContact CE1-CD2 3.86Å; Y199-Y258 HydrophobicContact CE1-CD2 3.86Å; Y199-Y258 HydrophobicContact CE1-CE2 4.01Å; Y199-Y258 HydrophobicContact CE1-CG 4.35Å; Y199-Y258 VanDerWaalsContact OH-CB 3.25Å; Y199-Y258 WeakPolarHBondContact OH-CB 3.49Å; Y199-E260 PolarHBondContact OH-O 2.7Å; Y199-R262 HydrophobicContact CD1-CG 4.25Å; Y199-R262 HydrophobicContact CD2-CB 4.37Å; Y199-R262 HydrophobicContact CD2-CG 4.05Å; Y199-R262 HydrophobicContact CE1-CG 3.93Å; Y199-R262 VanDerWaalsContact CE1-CZ 3.46Å; Y199-R262 HydrophobicContact CE2-CB 4.27Å; Y199-R262 HydrophobicContact CE2-CG 3.74Å; Y199-R262 HydrophobicContact CG-CG 4.28Å
200	V	96.5	Very high	96.4	Very high	66 Å²	66	50.5 Å²	50.5	40%	0.4	28%	0.276	S	S	.	.	H	α-helix	trans	-78.3	-46.5	170.7	174	0	0	0	0	109.7	R196 I197 V198 E202 K203 E204	R196-V200 WeakPolarHBondContact O-CG2 3.32Å; I197-V200 PolarHBondContact O-N 3.28Å; V198-V200 PolarHBondContact O-N 2.82Å; V200-E202 VanDerWaalsContact C-N 3.34Å; V200-E202 PolarHBondContact O-N 3.34Å; V200-K203 PolarHBondContact O-N 3.41Å; V200-E204 HydrophobicContact CG1-CG 4.26Å; V200-E204 PolarHBondContact O-N 3.02Å
201	N	97.1	Very high	96.2	Very high	30 Å²	30	50.5 Å²	50.5	16%	0.16	28%	0.276	C	S	.	.	H	α-helix	trans	-61.8	-38	-178.8	-68.2	-7	0	0	0	113	I197 V198 K203 G205 G206 P207	I197-N201 PolarHBondContact O-N 2.66Å; I197-N201 PolarHBondContact O-OD1 2.67Å; V198-N201 PolarHBondContact O-N 3.06Å; V198-N201 VanDerWaalsContact O-N 3.1Å; N201-K203 PolarHBondContact O-N 3.27Å; N201-G205 CarbonylContact O-C 3.59Å; N201-G205 VanDerWaalsContact O-C 3.3Å; N201-G205 WeakPolarHBondContact O-CA 3.42Å; N201-G205 PolarHBondContact O-N 3.08Å; N201-G206 PolarHBondContact O-N 2.59Å; N201-P207 PolarHBondContact ND2-O 3.4Å
202	E	95	Very high	95.6	Very high	63 Å²	63	52.3 Å²	52.3	29%	0.294	29%	0.286	S	S	.	.	H	α-helix	trans	-62.3	-27.6	175.1	-73.5	172.7	176.2	0	0	112.7	V198 V200 R262	V198-E202 WeakPolarHBondContact O-CG 3.21Å; V198-E202 PolarHBondContact O-N 2.99Å; V200-E202 VanDerWaalsContact C-N 3.34Å; V200-E202 PolarHBondContact O-N 3.34Å; E202-R262 IonicContact OE1-CZ 3.36Å; E202-R262 IonicContact OE1-NH1 3.45Å; E202-R262 IonicContact OE1-NH2 2.89Å; E202-R262 PolarHBondContact OE1-NH2 2.66Å; E202-R262 IonicContact OE2-CZ 2.89Å; E202-R262 IonicContact OE2-NH1 2.84Å; E202-R262 PolarHBondContact OE2-NH1 3.03Å; E202-R262 IonicContact OE2-NH2 3.97Å; E202-R262 PolarHBondContact OE2-NH2 3.3Å
203	K	94.7	Very high	94.9	Very high	173 Å²	173	59.4 Å²	59.4	75%	0.752	31%	0.313	S	S	*	.	H	α-helix	trans	-91.3	-42.8	-180	-68.5	175.7	-175.7	171.2	0	112.8	Y199 V200 N201	Y199-K203 WeakPolarHBondContact O-CG 3.35Å; V200-K203 PolarHBondContact O-N 3.41Å; N201-K203 PolarHBondContact O-N 3.27Å
204	E	96.3	Very high	94.3	Very high	163 Å²	163	63.2 Å²	63.2	76%	0.762	33%	0.334	S	S	*	.	H	α-helix	trans	-99.9	-10.3	-170.4	-60.9	-173.3	178.8	0	0	112.8	V200	V200-E204 HydrophobicContact CG1-CG 4.26Å; V200-E204 PolarHBondContact O-N 3.02Å
205	G	94.1	Very high	93.7	Very high	58 Å²	58	63.4 Å²	63.4	60%	0.598	34%	0.335	S	S	*	.			trans	81.8	134.8	-167.1	0	0	0	0	0	111.1	N201	N201-G205 CarbonylContact O-C 3.59Å; N201-G205 VanDerWaalsContact O-C 3.3Å; N201-G205 WeakPolarHBondContact O-CA 3.42Å; N201-G205 PolarHBondContact O-N 3.08Å
206	G	95	Very high	93.1	Very high	43 Å²	43	67.4 Å²	67.4	44%	0.443	35%	0.352	S	S	.	.			trans	174.9	-176	178.7	0	0	0	0	0	111.7	N201 N208	N201-G206 PolarHBondContact O-N 2.59Å; G206-N208 PolarHBondContact O-N 3.18Å
207	P	96.1	Very high	92.8	Very high	80 Å²	80	69.2 Å²	69.2	52%	0.519	36%	0.363	S	S	.	.			trans	-57.7	137.4	171.7	-22.4	33.8	0	0	0	111.2	N201 L211	N201-P207 PolarHBondContact ND2-O 3.4Å; P207-L211 HydrophobicContact CB-CD2 3.95Å; P207-L211 WeakPolarHBondContact O-CD2 3.3Å
208	N	97	Very high	92.5	Very high	17 Å²	17	70 Å²	70	9%	0.091	37%	0.366	C	S	.	.			trans	-108.1	-0.2	-179.9	64.7	19	0	0	0	113.3	G206 D399 H400 D401	G206-N208 PolarHBondContact O-N 3.18Å; N208-D399 WeakPolarHBondContact CB-O 3.37Å; N208-D399 PolarHBondContact ND2-OD1 3.4Å; N208-H400 PolarHBondContact O-ND1 3.49Å; N208-D401 PolarHBondContact ND2-OD2 2.9Å; N208-D401 PolarHBondContact OD1-N 3.24Å; N208-D401 VanDerWaalsContact OD1-N 3.12Å; N208-D401 PolarHBondContact OD1-OD2 3.02Å
209	N	96.2	Very high	92.2	Very high	21 Å²	21	69.9 Å²	69.9	11%	0.112	37%	0.366	C	S	.	.	S	Bend	trans	-151.3	161.6	-179.5	71	93.1	0	0	0	110	L211 D401	N209-L211 VanDerWaalsContact C-N 3.31Å; N209-L211 PolarHBondContact O-N 3.08Å; N209-D401 WeakPolarHBondContact CB-O 3.24Å; N209-D401 VanDerWaalsContact CG-O 3.3Å
210	H	96.3	Very high	91.9	Very high	61 Å²	61	73.7 Å²	73.7	28%	0.282	39%	0.387	S	S	.	.			trans	46.8	50.1	178.3	-60.9	77.8	0	0	0	113.4	L212 L332 S333 S334 N335 T403	H210-L212 PolarHBondContact O-N 2.89Å; H210-L332 PolarHBondContact N-O 2.92Å; H210-L332 VanDerWaalsContact N-O 3.16Å; H210-S333 PolarHBondContact CD2-O 3Å; H210-S334 WeakPolarHBondContact NE2-CA 3.38Å; H210-N335 PolarHBondContact CE1-OD1 2.89Å; H210-N335 VanDerWaalsContact CE1-OD1 3.23Å; H210-T403 PolarHBondContact CE1-OG1 3.15Å
211	L	93.6	Very high	91.7	Very high	22 Å²	22	77 Å²	77	12%	0.115	40%	0.398	C	S	.	.			trans	-64.9	-15	-163.2	-61.8	-175.7	0	0	0	115.6	L194 I197 V198 P207 N209 L332	L194-L211 HydrophobicContact CB-CD1 4.3Å; I197-L211 HydrophobicContact CB-CD1 4.26Å; I197-L211 HydrophobicContact CG2-CB 4.47Å; I197-L211 HydrophobicContact CG2-CD1 4.12Å; V198-L211 HydrophobicContact CB-CD1 3.73Å; V198-L211 HydrophobicContact CG2-CD1 4.09Å; P207-L211 HydrophobicContact CB-CD2 3.95Å; P207-L211 WeakPolarHBondContact O-CD2 3.3Å; N209-L211 VanDerWaalsContact C-N 3.31Å; N209-L211 PolarHBondContact O-N 3.08Å; L211-L332 HydrophobicContact CD1-CB 4.17Å; L211-L332 HydrophobicContact CD1-CD2 4.16Å; L211-L332 PolarHBondContact N-O 3.36Å
212	L	85.9	Confident	91.5	Very high	46 Å²	46	78 Å²	78	24%	0.241	40%	0.403	C	S	.	.			trans	-116.9	110.1	177.8	-67	-178.3	0	0	0	111.9	P192 L194 I197 H210 M215	P192-L212 HydrophobicContact CB-CD1 4.09Å; L194-L212 HydrophobicContact CD2-CD1 3.5Å; L194-L212 VanDerWaalsContact CD2-CD1 3.5Å; L194-L212 HydrophobicContact CD2-CD2 4.28Å; L194-L212 HydrophobicContact CD2-CG 3.6Å; I197-L212 HydrophobicContact CD1-CD2 4.28Å; H210-L212 PolarHBondContact O-N 2.89Å; L212-M215 HydrophobicContact CB-CB 4.47Å; L212-M215 HydrophobicContact CB-CE 3.46Å; L212-M215 VanDerWaalsContact CB-CE 3.46Å; L212-M215 HydrophobicContact CB-SD 3.6Å; L212-M215 HydrophobicContact CD1-CE 3.68Å; L212-M215 HydrophobicContact CD1-SD 3.24Å; L212-M215 WeakPolarHBondContact CD1-SD 3.31Å; L212-M215 HydrophobicContact CG-CE 4.02Å; L212-M215 HydrophobicContact CG-SD 4.03Å
213	K	81.7	Confident	91.4	Very high	177 Å²	177	81.3 Å²	81.3	77%	0.77	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	147.2	169.2	-61.5	-174.8	-179	-177.9	0	110.5	M215 I218	K213-M215 PolarHBondContact O-N 3.11Å; K213-I218 WeakPolarHBondContact O-CD1 3.25Å
214	N	83.1	Confident	91.4	Very high	135 Å²	135	81 Å²	81	72%	0.722	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	32.1	179	-57.6	-48.1	0	0	0	114.1	K216 K217 I218	N214-K216 VanDerWaalsContact C-N 3.31Å; N214-K216 PolarHBondContact O-N 2.92Å; N214-K217 PolarHBondContact O-N 3.28Å; N214-K217 VanDerWaalsContact O-N 3.16Å; N214-I218 PolarHBondContact O-N 3.1Å
215	M	84.3	Confident	91.5	Very high	7 Å²	7	73.9 Å²	73.9	3%	0.034	39%	0.394	C	S	.	.	H	α-helix	trans	-53.5	-43.2	-172.2	-176.5	97.7	73.4	0	0	113.4	L212 K213 K217 I218 V219 I233 M237 F329	L212-M215 HydrophobicContact CB-CB 4.47Å; L212-M215 HydrophobicContact CB-CE 3.46Å; L212-M215 VanDerWaalsContact CB-CE 3.46Å; L212-M215 HydrophobicContact CB-SD 3.6Å; L212-M215 HydrophobicContact CD1-CE 3.68Å; L212-M215 HydrophobicContact CD1-SD 3.24Å; L212-M215 WeakPolarHBondContact CD1-SD 3.31Å; L212-M215 HydrophobicContact CG-CE 4.02Å; L212-M215 HydrophobicContact CG-SD 4.03Å; K213-M215 PolarHBondContact O-N 3.11Å; M215-K217 PolarHBondContact O-N 2.93Å; M215-K217 VanDerWaalsContact O-N 3.15Å; M215-I218 CarbonylContact O-C 3.54Å; M215-I218 WeakPolarHBondContact O-CA 3.39Å; M215-I218 WeakPolarHBondContact O-CB 2.87Å; M215-I218 PolarHBondContact O-N 3.5Å; M215-V219 HydrophobicContact CG-CG2 3.58Å; M215-V219 WeakPolarHBondContact O-CB 3.1Å; M215-V219 VanDerWaalsContact O-CG2 3.32Å; M215-V219 WeakPolarHBondContact O-CG2 3.46Å; M215-V219 PolarHBondContact O-N 2.95Å; M215-V219 HydrophobicContact SD-CG2 4.16Å; M215-I233 HydrophobicContact CG-CG2 4.06Å; M215-M237 HydrophobicContact CB-CE 3.26Å; M215-M237 HydrophobicContact CB-SD 3.55Å; M215-M237 VanDerWaalsContact CB-SD 3.55Å; M215-M237 HydrophobicContact CE-CE 3.4Å; M215-M237 VanDerWaalsContact CE-CE 3.4Å; M215-M237 HydrophobicContact CG-CE 3.17Å; M215-M237 HydrophobicContact CG-SD 3.67Å; M215-M237 HydrophobicContact SD-CE 4.11Å; M215-F329 HydrophobicContact CE-CE2 3.61Å; M215-F329 HydrophobicContact CE-CZ 3.65Å; M215-F329 HydrophobicContact SD-CE2 4.15Å; M215-F329 HydrophobicContact SD-CZ 4.27Å
216	K	85.8	Confident	91.7	Very high	86 Å²	86	71.1 Å²	71.1	37%	0.374	37%	0.365	S	S	.	.	H	α-helix	trans	-49.9	-46.5	-179.3	-67.7	-169.8	170.6	177.6	0	112.6	N214 V219 D220 M237 D238	N214-K216 VanDerWaalsContact C-N 3.31Å; N214-K216 PolarHBondContact O-N 2.92Å; K216-V219 PolarHBondContact O-N 2.89Å; K216-D220 WeakPolarHBondContact O-CB 3.3Å; K216-D220 PolarHBondContact O-N 3.41Å; K216-M237 HydrophobicContact CG-SD 4.07Å; K216-D238 IonicContact NZ-OD1 3.02Å; K216-D238 PolarHBondContact NZ-OD1 3.28Å
217	K	89.4	Confident	91.8	Very high	132 Å²	132	71 Å²	71	57%	0.574	36%	0.357	S	S	*	.	H	α-helix	trans	-64.8	-42.4	177.3	-176.1	-180	177.3	-177.3	0	112.1	N214 M215 V219 Q221	N214-K217 PolarHBondContact O-N 3.28Å; N214-K217 VanDerWaalsContact O-N 3.16Å; M215-K217 PolarHBondContact O-N 2.93Å; M215-K217 VanDerWaalsContact O-N 3.15Å; K217-V219 VanDerWaalsContact C-N 3.35Å; K217-Q221 WeakPolarHBondContact O-CB 3.22Å; K217-Q221 VanDerWaalsContact O-CG 3.24Å; K217-Q221 WeakPolarHBondContact O-CG 3.22Å; K217-Q221 PolarHBondContact O-N 2.97Å; K217-Q221 VanDerWaalsContact O-N 3.14Å
218	I	88.6	Confident	91.9	Very high	76 Å²	76	67.2 Å²	67.2	39%	0.39	33%	0.332	S	S	.	.	H	α-helix	trans	-62.6	-44.9	178.8	-63.5	172.5	0	0	0	110.1	K213 N214 M215 N222	K213-I218 WeakPolarHBondContact O-CD1 3.25Å; N214-I218 PolarHBondContact O-N 3.1Å; M215-I218 CarbonylContact O-C 3.54Å; M215-I218 WeakPolarHBondContact O-CA 3.39Å; M215-I218 WeakPolarHBondContact O-CB 2.87Å; M215-I218 PolarHBondContact O-N 3.5Å; I218-N222 WeakPolarHBondContact O-CB 3.34Å; I218-N222 PolarHBondContact O-N 3.2Å
219	V	91.7	Very high	92	Very high	1 Å²	1	66.4 Å²	66.4	1%	0.006	33%	0.328	C	S	.	.	H	α-helix	trans	-64.3	-47.4	180	169.3	0	0	0	0	111.1	M215 K216 K217 Q221 N222 L225 K230 I233	M215-V219 HydrophobicContact CG-CG2 3.58Å; M215-V219 WeakPolarHBondContact O-CB 3.1Å; M215-V219 VanDerWaalsContact O-CG2 3.32Å; M215-V219 WeakPolarHBondContact O-CG2 3.46Å; M215-V219 PolarHBondContact O-N 2.95Å; M215-V219 HydrophobicContact SD-CG2 4.16Å; K216-V219 PolarHBondContact O-N 2.89Å; K217-V219 VanDerWaalsContact C-N 3.35Å; V219-Q221 VanDerWaalsContact C-N 3.33Å; V219-Q221 PolarHBondContact O-N 2.55Å; V219-N222 PolarHBondContact O-N 2.88Å; V219-L225 HydrophobicContact CB-CD1 4.19Å; V219-L225 HydrophobicContact CG1-CD1 3.88Å; V219-L225 HydrophobicContact CG2-CD1 4.19Å; V219-K230 HydrophobicContact CG1-CB 3.95Å; V219-K230 HydrophobicContact CG1-CD 4.48Å; V219-K230 HydrophobicContact CG1-CG 3.79Å; V219-K230 WeakPolarHBondContact O-CE 3.38Å; V219-K230 PolarHBondContact O-NZ 2.7Å; V219-I233 HydrophobicContact CG1-CB 4.31Å; V219-I233 HydrophobicContact CG1-CD1 4.3Å; V219-I233 HydrophobicContact CG1-CG2 4.33Å; V219-I233 HydrophobicContact CG2-CB 4.31Å; V219-I233 HydrophobicContact CG2-CD1 3.96Å; V219-I233 HydrophobicContact CG2-CG2 3.59Å
220	D	91.8	Very high	92.1	Very high	90 Å²	90	67.6 Å²	67.6	48%	0.481	33%	0.332	S	S	.	.	H	α-helix	trans	-61.4	-43.4	-179.7	-71.7	-25.3	0	0	0	111.8	K216 N222 K230 H234	K216-D220 WeakPolarHBondContact O-CB 3.3Å; K216-D220 PolarHBondContact O-N 3.41Å; D220-N222 VanDerWaalsContact C-N 3.31Å; D220-N222 PolarHBondContact O-N 3.04Å; D220-K230 PolarHBondContact O-NZ 3.42Å; D220-H234 IonicContact OD1-CD2 2.66Å; D220-H234 IonicContact OD1-CE1 3.52Å; D220-H234 PolarHBondContact OD1-CE1 2.92Å; D220-H234 IonicContact OD1-NE2 3.91Å; D220-H234 PolarHBondContact OD1-NE2 3.24Å; D220-H234 IonicContact OD2-CE1 2.67Å; D220-H234 IonicContact OD2-NE2 3.36Å
221	Q	91.9	Very high	92.2	Very high	135 Å²	135	65.1 Å²	65.1	63%	0.631	32%	0.323	S	S	*	.	H	α-helix	trans	-76.8	-16.1	-178.8	-66.3	-179.3	-15.8	0	0	113.4	K217 V219 T223	K217-Q221 WeakPolarHBondContact O-CB 3.22Å; K217-Q221 VanDerWaalsContact O-CG 3.24Å; K217-Q221 WeakPolarHBondContact O-CG 3.22Å; K217-Q221 PolarHBondContact O-N 2.97Å; K217-Q221 VanDerWaalsContact O-N 3.14Å; V219-Q221 VanDerWaalsContact C-N 3.33Å; V219-Q221 PolarHBondContact O-N 2.55Å; Q221-T223 PolarHBondContact O-N 2.76Å
222	N	92.6	Very high	92.5	Very high	52 Å²	52	64.1 Å²	64.1	28%	0.278	32%	0.317	S	S	.	.			trans	-77.4	109.4	179.4	-169.2	-16.3	0	0	0	110.7	I218 V219 D220 K224 L225 K230	I218-N222 WeakPolarHBondContact O-CB 3.34Å; I218-N222 PolarHBondContact O-N 3.2Å; V219-N222 PolarHBondContact O-N 2.88Å; D220-N222 VanDerWaalsContact C-N 3.31Å; D220-N222 PolarHBondContact O-N 3.04Å; N222-K224 VanDerWaalsContact C-N 3.26Å; N222-K224 PolarHBondContact O-N 2.82Å; N222-K224 WeakPolarHBondContact OD1-CB 3.42Å; N222-K224 PolarHBondContact OD1-N 2.93Å; N222-L225 HydrophobicContact CB-CD1 3.96Å; N222-L225 HydrophobicContact CB-CG 3.92Å; N222-K230 WeakPolarHBondContact O-CE 3.34Å; N222-K230 PolarHBondContact O-NZ 3.32Å
223	T	92.9	Very high	93	Very high	133 Å²	133	61.9 Å²	61.9	82%	0.816	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-10.9	179.6	51.2	0	0	0	0	113.7	Q221	Q221-T223 PolarHBondContact O-N 2.76Å
224	K	95.4	Very high	93.8	Very high	165 Å²	165	55.3 Å²	55.3	72%	0.717	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-15.4	178.1	-57.2	-176.9	179	-179.2	0	113.3	N190 N222	N190-K224 PolarHBondContact ND2-O 2.94Å; N222-K224 VanDerWaalsContact C-N 3.26Å; N222-K224 PolarHBondContact O-N 2.82Å; N222-K224 WeakPolarHBondContact OD1-CB 3.42Å; N222-K224 PolarHBondContact OD1-N 2.93Å
225	L	97.3	Very high	94.5	Very high	14 Å²	14	49.4 Å²	49.4	7%	0.073	25%	0.245	C	C	.	.	S	Bend	trans	-79.5	130.4	176.6	-64.1	-177.2	0	0	0	110.2	N190 V219 N222 T229 K230 I233	N190-L225 WeakPolarHBondContact O-CD2 3.44Å; N190-L225 WeakPolarHBondContact OD1-CA 3.35Å; V219-L225 HydrophobicContact CB-CD1 4.19Å; V219-L225 HydrophobicContact CG1-CD1 3.88Å; V219-L225 HydrophobicContact CG2-CD1 4.19Å; N222-L225 HydrophobicContact CB-CD1 3.96Å; N222-L225 HydrophobicContact CB-CG 3.92Å; L225-T229 HydrophobicContact CD2-CG2 4.07Å; L225-K230 HydrophobicContact CB-CD 4.35Å; L225-K230 HydrophobicContact CB-CG 3.71Å; L225-K230 HydrophobicContact CD1-CG 4.25Å; L225-K230 WeakPolarHBondContact O-CE 3.22Å; L225-I233 HydrophobicContact CD1-CD1 4.13Å
226	A	98.3	Very high	95.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.245	C	C	.	.			trans	-63.1	149.8	170.7	0	0	0	0	0	110.6	N181 I185 L187 N190 E228 T229 K230	N181-A226 WeakPolarHBondContact ND2-CB 3.17Å; I185-A226 HydrophobicContact CD1-CB 4.12Å; I185-A226 HydrophobicContact CG2-CB 4.4Å; L187-A226 HydrophobicContact CD2-CB 3.6Å; N190-A226 WeakPolarHBondContact OD1-CB 3.18Å; N190-A226 PolarHBondContact OD1-N 2.92Å; A226-E228 WeakPolarHBondContact CB-OE2 3.33Å; A226-E228 PolarHBondContact O-N 2.94Å; A226-T229 PolarHBondContact O-N 2.88Å; A226-K230 WeakPolarHBondContact O-CG 3.49Å; A226-K230 PolarHBondContact O-N 2.86Å
227	P	98.4	Very high	95.6	Very high	42 Å²	42	48 Å²	48	27%	0.273	24%	0.241	S	C	.	.	H	α-helix	trans	-59.4	-33.8	178.3	24.3	-32.5	0	0	0	112.4	F83 Q183 K230 A231	F83-P227 HydrophobicContact CB-CG 3.92Å; F83-P227 HydrophobicContact CD2-CG 4.37Å; Q183-P227 VanDerWaalsContact OE1-CD 3.22Å; P227-K230 PolarHBondContact O-N 3.38Å; P227-A231 WeakPolarHBondContact O-CB 3.38Å; P227-A231 PolarHBondContact O-N 3.04Å
228	E	98.8	Very high	95.9	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62.8	-48.7	174.8	-58.5	83	-179.2	0	0	111.7	S82 F83 L88 L157 N181 L187 A226 K230 A231 V232	S82-E228 VanDerWaalsContact CA-OE1 3.25Å; S82-E228 WeakPolarHBondContact CA-OE1 3.12Å; S82-E228 VanDerWaalsContact CB-OE1 3.31Å; S82-E228 WeakPolarHBondContact CB-OE1 3.4Å; F83-E228 PolarHBondContact N-OE1 2.81Å; L88-E228 HydrophobicContact CD1-CB 4.31Å; L88-E228 HydrophobicContact CD1-CG 4.37Å; L88-E228 HydrophobicContact CD2-CG 4.39Å; L157-E228 HydrophobicContact CD1-CB 3.98Å; N181-E228 PolarHBondContact ND2-OE2 3.3Å; L187-E228 HydrophobicContact CD1-CB 3.74Å; L187-E228 HydrophobicContact CD1-CG 4.13Å; L187-E228 HydrophobicContact CD2-CB 4.1Å; A226-E228 WeakPolarHBondContact CB-OE2 3.33Å; A226-E228 PolarHBondContact O-N 2.94Å; E228-K230 PolarHBondContact O-N 3.07Å; E228-A231 PolarHBondContact O-N 3.04Å; E228-V232 PolarHBondContact O-N 3.08Å
229	T	98.7	Very high	96.3	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.4	-43.9	177	-59.8	0	0	0	0	111.4	N190 F191 L225 A226 A231 V232 I233	N190-T229 HydrophobicContact CB-CG2 4.44Å; N190-T229 WeakPolarHBondContact OD1-CB 3.32Å; N190-T229 PolarHBondContact OD1-OG1 2.94Å; N190-T229 VanDerWaalsContact OD1-OG1 3.11Å; F191-T229 HydrophobicContact CD1-CG2 4.06Å; F191-T229 HydrophobicContact CD2-CG2 4.01Å; F191-T229 HydrophobicContact CE1-CG2 4.06Å; F191-T229 HydrophobicContact CE2-CG2 3.97Å; F191-T229 HydrophobicContact CG-CG2 4.05Å; F191-T229 HydrophobicContact CZ-CG2 4Å; L225-T229 HydrophobicContact CD2-CG2 4.07Å; A226-T229 PolarHBondContact O-N 2.88Å; T229-A231 VanDerWaalsContact C-N 3.34Å; T229-A231 PolarHBondContact O-N 3.02Å; T229-V232 PolarHBondContact O-N 3.3Å; T229-I233 HydrophobicContact CG2-CD1 3.85Å; T229-I233 HydrophobicContact CG2-CG1 4.43Å; T229-I233 VanDerWaalsContact O-CG1 3.26Å; T229-I233 WeakPolarHBondContact O-CG1 3.32Å; T229-I233 PolarHBondContact O-N 3.35Å
230	K	98.3	Very high	96.6	Very high	45 Å²	45	45.5 Å²	45.5	20%	0.196	24%	0.236	C	C	.	.	H	α-helix	trans	-59.4	-45.1	175.9	-67.5	-171.6	-179.4	-168.2	0	112	V219 D220 N222 L225 A226 P227 E228 V232 I233 H234	V219-K230 HydrophobicContact CG1-CB 3.95Å; V219-K230 HydrophobicContact CG1-CD 4.48Å; V219-K230 HydrophobicContact CG1-CG 3.79Å; V219-K230 WeakPolarHBondContact O-CE 3.38Å; V219-K230 PolarHBondContact O-NZ 2.7Å; D220-K230 PolarHBondContact O-NZ 3.42Å; N222-K230 WeakPolarHBondContact O-CE 3.34Å; N222-K230 PolarHBondContact O-NZ 3.32Å; L225-K230 HydrophobicContact CB-CD 4.35Å; L225-K230 HydrophobicContact CB-CG 3.71Å; L225-K230 HydrophobicContact CD1-CG 4.25Å; L225-K230 WeakPolarHBondContact O-CE 3.22Å; A226-K230 WeakPolarHBondContact O-CG 3.49Å; A226-K230 PolarHBondContact O-N 2.86Å; P227-K230 PolarHBondContact O-N 3.38Å; E228-K230 PolarHBondContact O-N 3.07Å; K230-V232 PolarHBondContact O-N 3.44Å; K230-I233 PolarHBondContact O-N 2.88Å; K230-H234 PolarHBondContact O-CD2 2.81Å; K230-H234 PolarHBondContact O-N 3.31Å
231	A	98.4	Very high	96.9	Very high	10 Å²	10	41.3 Å²	41.3	8%	0.083	21%	0.213	C	C	.	.	H	α-helix	trans	-61.1	-43.7	-179.8	0	0	0	0	0	111.8	V79 L88 P227 E228 T229 H234 W235	V79-A231 HydrophobicContact CG2-CB 4.16Å; L88-A231 HydrophobicContact CD1-CB 3.77Å; P227-A231 WeakPolarHBondContact O-CB 3.38Å; P227-A231 PolarHBondContact O-N 3.04Å; E228-A231 PolarHBondContact O-N 3.04Å; T229-A231 VanDerWaalsContact C-N 3.34Å; T229-A231 PolarHBondContact O-N 3.02Å; A231-H234 PolarHBondContact O-N 3.43Å; A231-W235 WeakPolarHBondContact O-CB 3.28Å; A231-W235 PolarHBondContact O-N 3.26Å
232	V	98.5	Very high	97.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-68.7	-39.1	177.8	174.5	0	0	0	0	112.2	I110 M154 L157 F191 E228 T229 K230 H234 W235 I236 M326	I110-V232 HydrophobicContact CD1-CG1 4.44Å; M154-V232 HydrophobicContact CE-CG2 4.48Å; L157-V232 HydrophobicContact CD1-CG2 3.22Å; L157-V232 HydrophobicContact CD2-CG2 3.88Å; L157-V232 HydrophobicContact CG-CG2 4.2Å; F191-V232 HydrophobicContact CE1-CG1 4.23Å; F191-V232 HydrophobicContact CZ-CB 4.3Å; F191-V232 HydrophobicContact CZ-CG1 4.07Å; E228-V232 PolarHBondContact O-N 3.08Å; T229-V232 PolarHBondContact O-N 3.3Å; K230-V232 PolarHBondContact O-N 3.44Å; V232-H234 VanDerWaalsContact C-N 3.34Å; V232-H234 PolarHBondContact O-N 2.91Å; V232-W235 HydrophobicContact CG1-CE3 4.47Å; V232-W235 WeakPolarHBondContact O-CB 3.25Å; V232-W235 PolarHBondContact O-N 2.85Å; V232-I236 HydrophobicContact CG1-CD1 3.74Å; V232-I236 HydrophobicContact CG1-CG1 4.21Å; V232-I236 VanDerWaalsContact O-CG1 3.32Å; V232-I236 WeakPolarHBondContact O-CG1 3.48Å; V232-I236 PolarHBondContact O-N 3.14Å; V232-M326 HydrophobicContact CG1-SD 3.86Å
233	I	98.3	Very high	97.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-61.8	-44.8	176.2	-66.2	169	0	0	0	110.6	F191 P192 M215 V219 L225 T229 K230 W235 I236 M237 F329	F191-I233 HydrophobicContact CD1-CD1 4.04Å; F191-I233 HydrophobicContact CD1-CG1 3.8Å; F191-I233 HydrophobicContact CE1-CD1 4.31Å; F191-I233 HydrophobicContact CE1-CG1 3.68Å; P192-I233 HydrophobicContact CG-CD1 4.42Å; M215-I233 HydrophobicContact CG-CG2 4.06Å; V219-I233 HydrophobicContact CG1-CB 4.31Å; V219-I233 HydrophobicContact CG1-CD1 4.3Å; V219-I233 HydrophobicContact CG1-CG2 4.33Å; V219-I233 HydrophobicContact CG2-CB 4.31Å; V219-I233 HydrophobicContact CG2-CD1 3.96Å; V219-I233 HydrophobicContact CG2-CG2 3.59Å; L225-I233 HydrophobicContact CD1-CD1 4.13Å; T229-I233 HydrophobicContact CG2-CD1 3.85Å; T229-I233 HydrophobicContact CG2-CG1 4.43Å; T229-I233 VanDerWaalsContact O-CG1 3.26Å; T229-I233 WeakPolarHBondContact O-CG1 3.32Å; T229-I233 PolarHBondContact O-N 3.35Å; K230-I233 PolarHBondContact O-N 2.88Å; I233-W235 VanDerWaalsContact C-N 3.29Å; I233-W235 PolarHBondContact O-N 3.22Å; I233-I236 PolarHBondContact O-N 3.36Å; I233-M237 HydrophobicContact CG2-CE 4.09Å; I233-M237 HydrophobicContact CG2-SD 4.12Å; I233-M237 VanDerWaalsContact O-CG 3.27Å; I233-M237 WeakPolarHBondContact O-CG 3.2Å; I233-M237 PolarHBondContact O-N 2.91Å; I233-M237 VanDerWaalsContact O-N 3.17Å; I233-F329 HydrophobicContact CB-CE1 4.31Å; I233-F329 HydrophobicContact CB-CZ 4.22Å; I233-F329 HydrophobicContact CD1-CE2 4.44Å; I233-F329 HydrophobicContact CD1-CZ 4.09Å; I233-F329 HydrophobicContact CG1-CE1 3.72Å; I233-F329 HydrophobicContact CG1-CE2 4.45Å; I233-F329 HydrophobicContact CG1-CZ 3.67Å; I233-F329 HydrophobicContact CG2-CE1 4.11Å; I233-F329 HydrophobicContact CG2-CZ 3.66Å
234	H	97.6	Very high	97.9	Very high	39 Å²	39	26.3 Å²	26.3	18%	0.181	13%	0.132	C	C	.	.	H	α-helix	trans	-60.8	-41.9	175.1	-74.9	-56.9	0	0	0	111.7	D220 K230 A231 V232 M237 D238	D220-H234 IonicContact OD1-CD2 2.66Å; D220-H234 IonicContact OD1-CE1 3.52Å; D220-H234 PolarHBondContact OD1-CE1 2.92Å; D220-H234 IonicContact OD1-NE2 3.91Å; D220-H234 PolarHBondContact OD1-NE2 3.24Å; D220-H234 IonicContact OD2-CE1 2.67Å; D220-H234 IonicContact OD2-NE2 3.36Å; K230-H234 PolarHBondContact O-CD2 2.81Å; K230-H234 PolarHBondContact O-N 3.31Å; A231-H234 PolarHBondContact O-N 3.43Å; V232-H234 VanDerWaalsContact C-N 3.34Å; V232-H234 PolarHBondContact O-N 2.91Å; H234-M237 CarbonylContact O-C 3.47Å; H234-M237 WeakPolarHBondContact O-CB 3.48Å; H234-M237 PolarHBondContact O-N 3.09Å; H234-M237 VanDerWaalsContact O-N 3.08Å; H234-D238 VanDerWaalsContact O-CG 3.26Å; H234-D238 PolarHBondContact O-N 3.29Å
235	W	98.3	Very high	98	Very high	10 Å²	10	18.4 Å²	18.4	4%	0.038	10%	0.098	C	C	.	.	H	α-helix	trans	-62.5	-44.5	177.8	-178	45.7	0	0	0	113.3	Y77 V79 V90 K108 I110 H152 M154 A231 V232 I233 M237 D238 I239 F241	Y77-W235 AromaticContact CE2-NE1 3.97Å; Y77-W235 AromaticContact CZ-NE1 3.88Å; Y77-W235 PolarHBondContact OH-NE1 2.61Å; V79-W235 HydrophobicContact CB-CB 4.24Å; V79-W235 HydrophobicContact CB-CG 4.38Å; V79-W235 HydrophobicContact CG1-CB 3.92Å; V79-W235 HydrophobicContact CG1-CD2 3.83Å; V79-W235 HydrophobicContact CG1-CE3 4.49Å; V79-W235 HydrophobicContact CG1-CG 3.54Å; V90-W235 HydrophobicContact CG1-CZ2 4.25Å; V90-W235 HydrophobicContact CG2-CZ2 4.29Å; K108-W235 HydrophobicContact CB-CH2 3.71Å; K108-W235 HydrophobicContact CB-CZ2 4.17Å; K108-W235 HydrophobicContact CD-CE3 4.23Å; K108-W235 HydrophobicContact CD-CH2 3.64Å; K108-W235 HydrophobicContact CD-CZ2 4.25Å; K108-W235 HydrophobicContact CD-CZ3 3.63Å; K108-W235 HydrophobicContact CG-CH2 4.24Å; I110-W235 HydrophobicContact CD1-CZ3 3.74Å; I110-W235 HydrophobicContact CG1-CH2 4.32Å; I110-W235 HydrophobicContact CG1-CZ3 3.84Å; H152-W235 HydrophobicContact CB-CH2 4.4Å; H152-W235 HydrophobicContact CB-CZ2 3.74Å; M154-W235 HydrophobicContact CB-CH2 4.41Å; M154-W235 HydrophobicContact CE-CD2 4.44Å; M154-W235 HydrophobicContact CE-CE3 3.8Å; M154-W235 HydrophobicContact CE-CH2 4.18Å; M154-W235 HydrophobicContact CE-CZ3 3.64Å; A231-W235 WeakPolarHBondContact O-CB 3.28Å; A231-W235 PolarHBondContact O-N 3.26Å; V232-W235 HydrophobicContact CG1-CE3 4.47Å; V232-W235 WeakPolarHBondContact O-CB 3.25Å; V232-W235 PolarHBondContact O-N 2.85Å; I233-W235 VanDerWaalsContact C-N 3.29Å; I233-W235 PolarHBondContact O-N 3.22Å; W235-M237 PolarHBondContact O-N 2.92Å; W235-D238 PolarHBondContact O-N 2.98Å; W235-I239 PolarHBondContact O-N 3.44Å; W235-F241 AromaticContact CD2-CE2 3.97Å; W235-F241 HydrophobicContact CD2-CE2 3.97Å; W235-F241 HydrophobicContact CD2-CZ 4.15Å; W235-F241 AromaticContact CE2-CE2 3.69Å; W235-F241 AromaticContact CE2-CZ 3.39Å; W235-F241 HydrophobicContact CG-CE2 4.26Å; W235-F241 HydrophobicContact CH2-CZ 4.17Å; W235-F241 HydrophobicContact CZ2-CE1 4.24Å; W235-F241 HydrophobicContact CZ2-CE2 4.06Å; W235-F241 AromaticContact CZ2-CZ 3.4Å; W235-F241 HydrophobicContact CZ2-CZ 3.4Å; W235-F241 VanDerWaalsContact CZ2-CZ 3.4Å; W235-F241 AromaticContact NE1-CE2 3.79Å; W235-F241 AromaticContact NE1-CZ 3.54Å
236	I	97.7	Very high	98.1	Very high	5 Å²	5	17.8 Å²	17.8	3%	0.026	10%	0.095	C	C	.	.	H	α-helix	trans	-57.8	-30.6	173.3	-70.8	166.8	0	0	0	111.2	V232 I233 F329	V232-I236 HydrophobicContact CG1-CD1 3.74Å; V232-I236 HydrophobicContact CG1-CG1 4.21Å; V232-I236 VanDerWaalsContact O-CG1 3.32Å; V232-I236 WeakPolarHBondContact O-CG1 3.48Å; V232-I236 PolarHBondContact O-N 3.14Å; I233-I236 PolarHBondContact O-N 3.36Å; I236-F329 HydrophobicContact CD1-CD1 4.06Å; I236-F329 HydrophobicContact CD1-CE1 4.05Å
237	M	94.6	Very high	98.1	Very high	59 Å²	59	17.9 Å²	17.9	29%	0.291	10%	0.095	S	C	.	.	H	α-helix	trans	-88.1	-17.4	-178.7	-70.3	-173.9	170.1	0	0	115.1	M215 K216 I233 H234 W235	M215-M237 HydrophobicContact CB-CE 3.26Å; M215-M237 HydrophobicContact CB-SD 3.55Å; M215-M237 VanDerWaalsContact CB-SD 3.55Å; M215-M237 HydrophobicContact CE-CE 3.4Å; M215-M237 VanDerWaalsContact CE-CE 3.4Å; M215-M237 HydrophobicContact CG-CE 3.17Å; M215-M237 HydrophobicContact CG-SD 3.67Å; M215-M237 HydrophobicContact SD-CE 4.11Å; K216-M237 HydrophobicContact CG-SD 4.07Å; I233-M237 HydrophobicContact CG2-CE 4.09Å; I233-M237 HydrophobicContact CG2-SD 4.12Å; I233-M237 VanDerWaalsContact O-CG 3.27Å; I233-M237 WeakPolarHBondContact O-CG 3.2Å; I233-M237 PolarHBondContact O-N 2.91Å; I233-M237 VanDerWaalsContact O-N 3.17Å; H234-M237 CarbonylContact O-C 3.47Å; H234-M237 WeakPolarHBondContact O-CB 3.48Å; H234-M237 PolarHBondContact O-N 3.09Å; H234-M237 VanDerWaalsContact O-N 3.08Å; W235-M237 PolarHBondContact O-N 2.92Å
238	D	95.3	Very high	98.2	Very high	102 Å²	102	16 Å²	16	55%	0.545	8%	0.083	S	C	.	.	H	α-helix	trans	-92.2	-23	-176.5	-77	-22.8	0	0	0	112.7	K216 H234 W235	K216-D238 IonicContact NZ-OD1 3.02Å; K216-D238 PolarHBondContact NZ-OD1 3.28Å; H234-D238 VanDerWaalsContact O-CG 3.26Å; H234-D238 PolarHBondContact O-N 3.29Å; W235-D238 PolarHBondContact O-N 2.98Å
239	I	97.8	Very high	98.1	Very high	22 Å²	22	16.1 Å²	16.1	11%	0.113	8%	0.084	C	C	.	.	S	Bend	trans	-124	133.4	-176.3	-57.4	-174.8	0	0	0	108.8	E106 W235 F241	E106-I239 HydrophobicContact CB-CG2 3.68Å; E106-I239 HydrophobicContact CG-CG2 3.55Å; W235-I239 PolarHBondContact O-N 3.44Å; I239-F241 HydrophobicContact CB-CD2 3.93Å; I239-F241 HydrophobicContact CB-CE1 4.38Å; I239-F241 HydrophobicContact CB-CE2 3.56Å; I239-F241 HydrophobicContact CB-CZ 3.8Å; I239-F241 HydrophobicContact CD1-CE2 4.23Å; I239-F241 HydrophobicContact CD1-CZ 3.85Å; I239-F241 HydrophobicContact CG1-CE2 4.29Å; I239-F241 HydrophobicContact CG1-CZ 4.34Å; I239-F241 HydrophobicContact CG2-CD1 4.1Å; I239-F241 HydrophobicContact CG2-CD2 4.15Å; I239-F241 HydrophobicContact CG2-CE1 3.82Å; I239-F241 HydrophobicContact CG2-CE2 3.92Å; I239-F241 HydrophobicContact CG2-CG 4.24Å; I239-F241 HydrophobicContact CG2-CZ 3.72Å; I239-F241 PolarHBondContact O-N 3.05Å
240	P	98.1	Very high	98	Very high	32 Å²	32	16.7 Å²	16.7	21%	0.208	9%	0.09	C	C	.	.			trans	-75.5	62.5	179.9	32.5	-35.7	0	0	0	111.9	E106 V242 A405 W411	E106-P240 HydrophobicContact CG-CG 3.89Å; P240-V242 PolarHBondContact O-N 2.94Å; P240-A405 HydrophobicContact CB-CB 3.82Å; P240-A405 HydrophobicContact CG-CB 4.13Å; P240-W411 HydrophobicContact CB-CZ3 4.3Å
241	F	98.9	Very high	97.9	Very high	3 Å²	3	14.8 Å²	14.8	1%	0.013	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	132.8	178.4	-72.2	-63.8	0	0	0	112	E106 K108 H152 W235 I239 N335 C336	E106-F241 HydrophobicContact CB-CD1 3.97Å; E106-F241 HydrophobicContact CB-CE1 4.4Å; E106-F241 WeakPolarHBondContact O-CA 3.31Å; K108-F241 HydrophobicContact CB-CD1 3.9Å; K108-F241 HydrophobicContact CB-CE1 3.55Å; K108-F241 HydrophobicContact CB-CZ 4.07Å; K108-F241 HydrophobicContact CD-CD1 3.91Å; K108-F241 HydrophobicContact CD-CD2 3.83Å; K108-F241 HydrophobicContact CD-CE1 3.9Å; K108-F241 HydrophobicContact CD-CE2 3.78Å; K108-F241 HydrophobicContact CD-CG 3.89Å; K108-F241 HydrophobicContact CD-CZ 3.83Å; K108-F241 HydrophobicContact CG-CD1 3.89Å; K108-F241 HydrophobicContact CG-CE1 3.97Å; K108-F241 HydrophobicContact CG-CG 4.27Å; K108-F241 HydrophobicContact CG-CZ 4.38Å; H152-F241 HydrophobicContact CB-CE1 4.2Å; H152-F241 HydrophobicContact CB-CZ 4.42Å; H152-F241 AromaticContact CD2-CE1 3.52Å; H152-F241 AromaticContact CD2-CZ 3.97Å; W235-F241 AromaticContact CD2-CE2 3.97Å; W235-F241 HydrophobicContact CD2-CE2 3.97Å; W235-F241 HydrophobicContact CD2-CZ 4.15Å; W235-F241 AromaticContact CE2-CE2 3.69Å; W235-F241 AromaticContact CE2-CZ 3.39Å; W235-F241 HydrophobicContact CG-CE2 4.26Å; W235-F241 HydrophobicContact CH2-CZ 4.17Å; W235-F241 HydrophobicContact CZ2-CE1 4.24Å; W235-F241 HydrophobicContact CZ2-CE2 4.06Å; W235-F241 AromaticContact CZ2-CZ 3.4Å; W235-F241 HydrophobicContact CZ2-CZ 3.4Å; W235-F241 VanDerWaalsContact CZ2-CZ 3.4Å; W235-F241 AromaticContact NE1-CE2 3.79Å; W235-F241 AromaticContact NE1-CZ 3.54Å; I239-F241 HydrophobicContact CB-CD2 3.93Å; I239-F241 HydrophobicContact CB-CE1 4.38Å; I239-F241 HydrophobicContact CB-CE2 3.56Å; I239-F241 HydrophobicContact CB-CZ 3.8Å; I239-F241 HydrophobicContact CD1-CE2 4.23Å; I239-F241 HydrophobicContact CD1-CZ 3.85Å; I239-F241 HydrophobicContact CG1-CE2 4.29Å; I239-F241 HydrophobicContact CG1-CZ 4.34Å; I239-F241 HydrophobicContact CG2-CD1 4.1Å; I239-F241 HydrophobicContact CG2-CD2 4.15Å; I239-F241 HydrophobicContact CG2-CE1 3.82Å; I239-F241 HydrophobicContact CG2-CE2 3.92Å; I239-F241 HydrophobicContact CG2-CG 4.24Å; I239-F241 HydrophobicContact CG2-CZ 3.72Å; I239-F241 PolarHBondContact O-N 3.05Å; F241-N335 CarbonylContact O-C 3.42Å; F241-C336 HydrophobicContact CB-CB 3.81Å; F241-C336 VanDerWaalsContact O-CA 3.28Å; F241-C336 WeakPolarHBondContact O-CA 3.42Å; F241-C336 WeakPolarHBondContact O-CB 3.38Å; F241-C336 PolarHBondContact O-N 2.94Å
242	V	98.9	Very high	97.8	Very high	4 Å²	4	15.3 Å²	15.3	2%	0.024	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-47.3	179.7	-179.4	0	0	0	0	110.9	P105 E106 P240 F337 I372 W411 L413	P105-V242 HydrophobicContact CB-CB 4.48Å; P105-V242 HydrophobicContact CB-CG2 3.99Å; E106-V242 PolarHBondContact O-N 3.18Å; P240-V242 PolarHBondContact O-N 2.94Å; V242-F337 PolarHBondContact O-N 3.18Å; V242-I372 HydrophobicContact CB-CD1 4.04Å; V242-I372 HydrophobicContact CB-CG1 4Å; V242-I372 HydrophobicContact CG1-CG1 4.07Å; V242-W411 HydrophobicContact CB-CB 4.39Å; V242-W411 HydrophobicContact CG1-CB 3.72Å; V242-W411 HydrophobicContact CG1-CG 4.45Å; V242-W411 HydrophobicContact CG2-CB 3.7Å; V242-W411 HydrophobicContact CG2-CD2 3.67Å; V242-W411 HydrophobicContact CG2-CE3 3.61Å; V242-W411 HydrophobicContact CG2-CG 3.72Å; V242-W411 HydrophobicContact CG2-CZ3 4.47Å; V242-L413 HydrophobicContact CG1-CD1 4.32Å; V242-L413 HydrophobicContact CG1-CD2 4.19Å; V242-L413 HydrophobicContact CG1-CG 4.08Å
243	L	98.9	Very high	97.8	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	142.1	-176.9	-174.9	65.7	0	0	0	110.3	F107 K108 L281 F337 Y368 Q371 I372 L413	F107-L243 HydrophobicContact CD2-CB 3.98Å; F107-L243 HydrophobicContact CD2-CD2 4.17Å; F107-L243 HydrophobicContact CD2-CG 4.12Å; F107-L243 HydrophobicContact CE2-CB 4.28Å; F107-L243 HydrophobicContact CE2-CD2 3.94Å; F107-L243 HydrophobicContact CE2-CG 3.92Å; K108-L243 PolarHBondContact N-O 2.95Å; K108-L243 VanDerWaalsContact N-O 3.11Å; L243-L281 HydrophobicContact CD1-CD1 3.77Å; L243-L281 HydrophobicContact CD1-CD2 3.94Å; L243-L281 HydrophobicContact CD1-CG 4.45Å; L243-L281 HydrophobicContact CD2-CD2 4.3Å; L243-F337 CarbonylContact C-O 3.46Å; L243-F337 WeakPolarHBondContact CA-O 3.26Å; L243-F337 HydrophobicContact CD1-CB 4.28Å; L243-Y368 HydrophobicContact CD1-CE1 4.24Å; L243-Y368 VanDerWaalsContact CD1-OH 3.25Å; L243-Y368 WeakPolarHBondContact CD1-OH 3.32Å; L243-Y368 HydrophobicContact CD2-CE1 4.07Å; L243-Y368 WeakPolarHBondContact CD2-O 3.21Å; L243-Y368 HydrophobicContact CG-CE1 3.95Å; L243-Q371 HydrophobicContact CD2-CB 3.89Å; L243-I372 HydrophobicContact CB-CB 4.08Å; L243-I372 HydrophobicContact CB-CD1 4.07Å; L243-I372 HydrophobicContact CB-CG1 3.85Å; L243-I372 HydrophobicContact CD2-CB 3.99Å; L243-L413 HydrophobicContact CB-CD1 4.35Å; L243-L413 HydrophobicContact CD1-CD1 3.91Å
244	S	98.9	Very high	97.8	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	154.9	-179.4	-177.4	0	0	0	0	112.4	K108 C336 F337 E338 I339 Y368	K108-S244 WeakPolarHBondContact CE-OG 3.31Å; K108-S244 WeakPolarHBondContact CG-OG 3.32Å; K108-S244 WeakPolarHBondContact O-CA 3.48Å; K108-S244 PolarHBondContact O-OG 3.5Å; S244-C336 WeakPolarHBondContact CB-SG 3.48Å; S244-F337 PolarHBondContact N-O 3.42Å; S244-E338 WeakPolarHBondContact CB-OE2 3.31Å; S244-E338 VanDerWaalsContact O-CA 3.28Å; S244-E338 WeakPolarHBondContact O-CA 3.46Å; S244-E338 PolarHBondContact OG-OE2 3.27Å; S244-I339 PolarHBondContact O-N 3.2Å; S244-Y368 PolarHBondContact O-OH 2.53Å
245	A	98.9	Very high	97.9	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	138.4	159.5	0	0	0	0	0	111.5	K108 Y109 I110 I339 V341 Y368	K108-A245 PolarHBondContact O-N 2.78Å; Y109-A245 WeakPolarHBondContact CA-O 3.32Å; Y109-A245 HydrophobicContact CD1-CB 3.89Å; Y109-A245 WeakPolarHBondContact CD1-O 3.42Å; Y109-A245 HydrophobicContact CE1-CB 3.56Å; I110-A245 PolarHBondContact N-O 3.49Å; A245-I339 CarbonylContact C-O 3.57Å; A245-I339 VanDerWaalsContact CA-O 3.25Å; A245-I339 WeakPolarHBondContact CA-O 3.22Å; A245-I339 HydrophobicContact CB-CG1 3.86Å; A245-V341 HydrophobicContact CB-CG2 4.29Å; A245-Y368 HydrophobicContact CB-CD1 4.17Å; A245-Y368 HydrophobicContact CB-CE1 3.56Å
246	N	98.8	Very high	97.9	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.005	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	134.2	172.4	75.6	74.6	0	0	0	110	I110 H248 M326 E338 I339 T340 V341	I110-N246 HydrophobicContact CB-CB 4.39Å; I110-N246 CarbonylContact O-C 3.6Å; I110-N246 VanDerWaalsContact O-CA 3.24Å; I110-N246 WeakPolarHBondContact O-CA 3.45Å; N246-H248 PolarHBondContact OD1-CD2 3.06Å; N246-H248 PolarHBondContact OD1-NE2 2.84Å; N246-M326 HydrophobicContact CB-CE 3.35Å; N246-E338 PolarHBondContact ND2-OE1 3.38Å; N246-I339 PolarHBondContact N-O 3.46Å; N246-I339 PolarHBondContact ND2-O 3.02Å; N246-T340 PolarHBondContact ND2-OG1 2.7Å; N246-T340 CarbonylContact O-C 3.47Å; N246-T340 WeakPolarHBondContact O-CA 3.41Å; N246-T340 WeakPolarHBondContact OD1-CG2 3.47Å; N246-T340 PolarHBondContact OD1-OG1 3.15Å; N246-V341 PolarHBondContact O-N 3.12Å
247	L	98.9	Very high	98	Very high	2 Å²	2	13.5 Å²	13.5	1%	0.01	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	127.5	-167.9	-54.4	-173.6	0	0	0	111.4	Y109 I110 N112 L124 V341 L343 L365	Y109-L247 HydrophobicContact CD1-CD1 4.42Å; Y109-L247 HydrophobicContact CD1-CD2 4.17Å; Y109-L247 HydrophobicContact CD1-CG 4.34Å; Y109-L247 HydrophobicContact CE1-CD2 4.13Å; I110-L247 PolarHBondContact O-N 2.69Å; N112-L247 PolarHBondContact N-O 2.81Å; L124-L247 HydrophobicContact CD1-CD1 3.99Å; L124-L247 HydrophobicContact CD2-CD1 3.74Å; L124-L247 HydrophobicContact CG-CD1 3.73Å; L247-V341 HydrophobicContact CD2-CB 3.8Å; L247-V341 HydrophobicContact CD2-CG2 4.15Å; L247-L343 HydrophobicContact CB-CD1 3.8Å; L247-L343 HydrophobicContact CD1-CD1 4.13Å; L247-L343 HydrophobicContact CD2-CD1 4.48Å; L247-L343 HydrophobicContact CG-CD1 4.36Å; L247-L365 HydrophobicContact CD1-CD2 4.33Å
248	H	98.9	Very high	98.2	Very high	3 Å²	3	10.7 Å²	10.7	1%	0.014	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	174.3	-173.1	-81	-95.7	0	0	0	112.5	M113 H114 E117 N246 T340 V341 E342 L343	M113-H248 WeakPolarHBondContact CG-CE1 3.42Å; M113-H248 WeakPolarHBondContact CG-NE2 3.17Å; M113-H248 PolarHBondContact SD-CE1 3.12Å; M113-H248 PolarHBondContact SD-NE2 2.93Å; H114-H248 AromaticContact CE1-CE1 3.39Å; H114-H248 PolarHBondContact CE1-CE1 3.5Å; H114-H248 AromaticContact CE1-ND1 3.73Å; H114-H248 AromaticContact ND1-CE1 3.32Å; H114-H248 PolarHBondContact ND1-CE1 3.02Å; H114-H248 VanDerWaalsContact ND1-CE1 3.32Å; H114-H248 AromaticContact ND1-ND1 3.32Å; H114-H248 PolarHBondContact ND1-ND1 3.23Å; E117-H248 IonicContact OE2-CE1 3.09Å; E117-H248 IonicContact OE2-CG 3.74Å; E117-H248 IonicContact OE2-ND1 2.67Å; E117-H248 PolarHBondContact OE2-ND1 3.16Å; N246-H248 PolarHBondContact OD1-CD2 3.06Å; N246-H248 PolarHBondContact OD1-NE2 2.84Å; H248-T340 HydrophobicContact CB-CG2 4.44Å; H248-V341 PolarHBondContact N-O 3.12Å; H248-E342 HydrophobicContact CB-CG 4.34Å; H248-E342 WeakPolarHBondContact CB-OE1 3.47Å; H248-E342 VanDerWaalsContact CB-OE2 3.29Å; H248-E342 WeakPolarHBondContact CB-OE2 3.47Å; H248-E342 IonicContact CG-OE1 3.16Å; H248-L343 WeakPolarHBondContact O-CB 3.4Å; H248-L343 PolarHBondContact O-N 3.1Å
249	G	97.8	Very high	98.3	Very high	1 Å²	1	6 Å²	6	1%	0.01	4%	0.036	C	C	.	.			trans	-145.3	156.6	167.8	0	0	0	0	0	110	E117 E342 K347	E117-G249 WeakPolarHBondContact CG-O 3.49Å; G249-E342 VanDerWaalsContact CA-OE2 3.24Å; G249-E342 WeakPolarHBondContact CA-OE2 3.38Å; G249-E342 PolarHBondContact N-OE2 2.89Å; G249-E342 VanDerWaalsContact N-OE2 3.16Å; G249-K347 WeakPolarHBondContact O-CE 3.4Å
250	G	95.5	Very high	98.4	Very high	13 Å²	13	5.5 Å²	5.5	13%	0.134	3%	0.033	C	C	.	.	S	Bend	trans	133.7	-23.7	-174	0	0	0	0	0	111.9	E342 S344	G250-E342 PolarHBondContact N-OE2 3.26Å; G250-S344 PolarHBondContact N-O 2.91Å
251	D	96.2	Very high	98.4	Very high	5 Å²	5	4 Å²	4	3%	0.027	2%	0.023	C	C	.	.	S	Bend	trans	-144.7	-168.8	172.4	-144.9	-47.8	0	0	0	110.9	R297 F309 W319 E342 S344	D251-R297 IonicContact OD1-NH2 2.77Å; D251-R297 PolarHBondContact OD1-NH2 2.85Å; D251-R297 VanDerWaalsContact OD1-NH2 3.13Å; D251-F309 WeakPolarHBondContact OD1-CE2 3.34Å; D251-W319 HydrophobicContact CB-CH2 3.94Å; D251-W319 HydrophobicContact CB-CZ2 3.88Å; D251-W319 WeakPolarHBondContact OD2-CZ2 3.46Å; D251-E342 HydrophobicContact CB-CB 4.09Å; D251-E342 HydrophobicContact CB-CG 4.23Å; D251-E342 CarbonylContact O-C 3.29Å; D251-S344 PolarHBondContact N-O 2.98Å; D251-S344 CarbonylContact O-C 3.6Å; D251-S344 PolarHBondContact O-N 3.3Å; D251-S344 VanDerWaalsContact O-O 3.12Å
252	L	97.4	Very high	98.3	Very high	20 Å²	20	7 Å²	7	11%	0.105	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	84.1	175.7	-170	69	0	0	0	111.4	A291 M292 R297 E342 L343	L252-A291 HydrophobicContact CD2-CB 3.63Å; L252-M292 HydrophobicContact CD1-CB 4.33Å; L252-M292 HydrophobicContact CD1-CE 3.99Å; L252-M292 HydrophobicContact CD2-CB 4.42Å; L252-M292 HydrophobicContact CG-CB 4.02Å; L252-M292 HydrophobicContact CG-CE 4.43Å; L252-M292 HydrophobicContact CG-CG 4.33Å; L252-R297 PolarHBondContact O-NE 2.89Å; L252-R297 PolarHBondContact O-NH2 3Å; L252-E342 WeakPolarHBondContact CA-O 3.47Å; L252-L343 WeakPolarHBondContact CD1-O 3.3Å
253	V	98.4	Very high	98.1	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	149	-174.5	66.3	0	0	0	0	111.5	F309 T314 W319 E342	V253-F309 HydrophobicContact CB-CD2 3.91Å; V253-F309 HydrophobicContact CB-CE1 4.47Å; V253-F309 HydrophobicContact CB-CE2 3.62Å; V253-F309 HydrophobicContact CB-CG 4.45Å; V253-F309 HydrophobicContact CB-CZ 3.94Å; V253-F309 HydrophobicContact CG1-CD2 4.47Å; V253-F309 HydrophobicContact CG1-CE1 4.2Å; V253-F309 HydrophobicContact CG1-CE2 3.74Å; V253-F309 HydrophobicContact CG1-CZ 3.59Å; V253-F309 HydrophobicContact CG2-CD1 4.07Å; V253-F309 HydrophobicContact CG2-CD2 3.88Å; V253-F309 HydrophobicContact CG2-CE1 4.18Å; V253-F309 HydrophobicContact CG2-CE2 3.99Å; V253-F309 HydrophobicContact CG2-CG 3.93Å; V253-F309 HydrophobicContact CG2-CZ 4.15Å; V253-T314 HydrophobicContact CG1-CG2 4.26Å; V253-T314 HydrophobicContact CG2-CG2 3.74Å; V253-W319 HydrophobicContact CG1-CH2 4.41Å; V253-W319 HydrophobicContact CG1-CZ3 4.22Å; V253-E342 HydrophobicContact CG1-CB 4.03Å; V253-E342 HydrophobicContact CG1-CG 4.06Å; V253-E342 PolarHBondContact N-O 3.07Å; V253-E342 WeakPolarHBondContact O-CB 3.39Å; V253-E342 PolarHBondContact O-N 2.81Å
254	A	98.8	Very high	97.9	Very high	0 Å²	0	13 Å²	13	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	105.8	166.2	0	0	0	0	0	110.2	A282 M292 G312 T313 T314 I339	A254-A282 HydrophobicContact CB-CB 3.92Å; A254-M292 HydrophobicContact CB-SD 4.15Å; A254-G312 PolarHBondContact N-O 3.08Å; A254-T313 HydrophobicContact CB-CG2 4.38Å; A254-T313 CarbonylContact O-C 3.54Å; A254-T313 WeakPolarHBondContact O-CA 3.38Å; A254-T314 PolarHBondContact O-N 3.17Å; A254-I339 HydrophobicContact CB-CD1 4.5Å
255	N	98.9	Very high	97.7	Very high	4 Å²	4	14.9 Å²	14.9	2%	0.021	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	136	-178.6	177.2	89.8	0	0	0	111.4	D259 T314 G316 Q327 I339 T340	N255-D259 PolarHBondContact ND2-OD1 2.9Å; N255-T314 CarbonylContact C-O 3.31Å; N255-T314 VanDerWaalsContact CA-O 3.3Å; N255-T314 WeakPolarHBondContact CA-O 3.36Å; N255-T314 HydrophobicContact CB-CG2 4.17Å; N255-G316 WeakPolarHBondContact OD1-CA 3.41Å; N255-G316 PolarHBondContact OD1-N 2.87Å; N255-Q327 PolarHBondContact ND2-NE2 2.92Å; N255-Q327 PolarHBondContact ND2-OE1 3.49Å; N255-Q327 PolarHBondContact O-OE1 3.22Å; N255-Q327 VanDerWaalsContact O-OE1 3.14Å; N255-I339 WeakPolarHBondContact O-CB 3.48Å; N255-T340 WeakPolarHBondContact CA-O 3.02Å; N255-T340 HydrophobicContact CB-CG2 4.47Å; N255-T340 WeakPolarHBondContact CB-O 3.48Å; N255-T340 PolarHBondContact N-O 2.97Å; N255-T340 PolarHBondContact O-N 3.14Å; N255-T340 VanDerWaalsContact O-O 3.1Å
256	Y	98.9	Very high	97.5	Very high	12 Å²	12	17.9 Å²	17.9	5%	0.047	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	158.4	-179.4	61.9	-95.2	0	0	0	113.6	Y269 F278 Q279 A282 T314 N315 G316	Y256-Y269 PolarHBondContact OH-OH 3.45Å; Y256-Y269 VanDerWaalsContact OH-OH 3.04Å; Y256-F278 HydrophobicContact CD2-CB 4.01Å; Y256-F278 HydrophobicContact CG-CB 4.25Å; Y256-Q279 HydrophobicContact CE1-CG 4.1Å; Y256-Q279 HydrophobicContact CE2-CG 3.84Å; Y256-A282 HydrophobicContact CD1-CB 3.73Å; Y256-A282 HydrophobicContact CG-CB 4.46Å; Y256-T314 WeakPolarHBondContact CD1-O 3.49Å; Y256-T314 WeakPolarHBondContact CE1-O 3.14Å; Y256-T314 PolarHBondContact N-O 2.89Å; Y256-N315 HydrophobicContact CD2-CB 4.37Å; Y256-N315 HydrophobicContact CE2-CB 3.71Å; Y256-N315 WeakPolarHBondContact O-CA 3.49Å; Y256-G316 PolarHBondContact O-N 2.85Å
257	P	98.9	Very high	97.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	-57.6	156.4	-177	-30.7	36.9	0	0	0	116.2	F278 N315 Q327 D328	P257-F278 HydrophobicContact CB-CD2 4.49Å; P257-F278 HydrophobicContact CB-CE2 4.26Å; P257-F278 HydrophobicContact CB-CZ 4.38Å; P257-F278 HydrophobicContact CG-CD1 4.15Å; P257-F278 HydrophobicContact CG-CD2 4.46Å; P257-F278 HydrophobicContact CG-CE1 3.76Å; P257-F278 HydrophobicContact CG-CE2 4.09Å; P257-F278 HydrophobicContact CG-CG 4.49Å; P257-F278 HydrophobicContact CG-CZ 3.73Å; P257-N315 VanDerWaalsContact C-ND2 3.32Å; P257-N315 PolarHBondContact O-ND2 3.25Å; P257-Q327 HydrophobicContact CG-CG 3.88Å; P257-D328 WeakPolarHBondContact CB-OD1 3.13Å
258	Y	98.8	Very high	97.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.159	C	C	.	.			cis	-83.1	146.9	-9.6	-67.2	-66	0	0	0	112	D195 V198 Y199 S270 S272 N315 G317 D328 Y331 L332	D195-Y258 WeakPolarHBondContact OD1-CD1 3.43Å; V198-Y258 HydrophobicContact CG1-CE2 4.48Å; Y199-Y258 AromaticContact CE1-CD2 3.86Å; Y199-Y258 HydrophobicContact CE1-CD2 3.86Å; Y199-Y258 HydrophobicContact CE1-CE2 4.01Å; Y199-Y258 HydrophobicContact CE1-CG 4.35Å; Y199-Y258 VanDerWaalsContact OH-CB 3.25Å; Y199-Y258 WeakPolarHBondContact OH-CB 3.49Å; Y258-S270 WeakPolarHBondContact CB-O 3.1Å; Y258-S270 PolarHBondContact N-O 3.02Å; Y258-S272 VanDerWaalsContact CE2-CA 3.41Å; Y258-N315 PolarHBondContact N-ND2 3.05Å; Y258-N315 PolarHBondContact O-ND2 3.12Å; Y258-G317 PolarHBondContact O-N 2.9Å; Y258-D328 HydrophobicContact CD1-CB 4.26Å; Y258-Y331 AromaticContact CE1-CD1 3.73Å; Y258-Y331 HydrophobicContact CE1-CD1 3.73Å; Y258-Y331 HydrophobicContact CE1-CE1 4.06Å; Y258-Y331 AromaticContact CZ-CE1 3.9Å; Y258-Y331 WeakPolarHBondContact OH-CE1 3.25Å; Y258-L332 HydrophobicContact CE1-CD1 3.96Å; Y258-L332 HydrophobicContact CE1-CD2 3.91Å; Y258-L332 HydrophobicContact CE1-CG 4.01Å; Y258-L332 WeakPolarHBondContact OH-CD2 3.32Å
259	D	98.6	Very high	97.3	Very high	5 Å²	5	30.5 Å²	30.5	3%	0.027	18%	0.178	C	C	.	.			trans	-77.6	-39.7	172	-85.1	-8.4	0	0	0	112	N255 G316 G317 S321 V322 Q327 D328	N255-D259 PolarHBondContact ND2-OD1 2.9Å; D259-G316 WeakPolarHBondContact OD1-CA 3.22Å; D259-G317 WeakPolarHBondContact O-CA 3.42Å; D259-G317 PolarHBondContact O-N 3.02Å; D259-S321 WeakPolarHBondContact O-CA 3.49Å; D259-V322 HydrophobicContact CB-CB 3.98Å; D259-V322 HydrophobicContact CB-CG1 4.39Å; D259-V322 PolarHBondContact O-N 2.86Å; D259-Q327 PolarHBondContact OD1-NE2 3.45Å; D259-Q327 PolarHBondContact OD2-NE2 3.11Å; D259-D328 WeakPolarHBondContact CA-OD2 3.4Å; D259-D328 VanDerWaalsContact CB-OD2 3.28Å; D259-D328 WeakPolarHBondContact CB-OD2 3.36Å; D259-D328 PolarHBondContact N-OD1 3.07Å; D259-D328 PolarHBondContact N-OD2 3.37Å
260	E	98.3	Very high	97.3	Very high	10 Å²	10	30.5 Å²	30.5	5%	0.047	18%	0.177	C	C	.	.	S	Bend	trans	-85.8	131.5	179.6	-158.7	-165.2	-166.9	0	0	112.2	D195 R196 Y199 P323 D328	D195-E260 HydrophobicContact CB-CB 3.88Å; D195-E260 VanDerWaalsContact CB-OE2 3.31Å; D195-E260 WeakPolarHBondContact CB-OE2 3.33Å; R196-E260 WeakPolarHBondContact CD-OE2 3.31Å; R196-E260 WeakPolarHBondContact CG-OE2 3.32Å; R196-E260 VanDerWaalsContact CZ-CD 3.47Å; R196-E260 IonicContact CZ-OE1 3.69Å; R196-E260 IonicContact CZ-OE2 2.83Å; R196-E260 IonicContact NE-OE1 3.97Å; R196-E260 PolarHBondContact NE-OE1 3.44Å; R196-E260 IonicContact NE-OE2 3.52Å; R196-E260 PolarHBondContact NE-OE2 3.1Å; R196-E260 IonicContact NH2-OE1 2.73Å; R196-E260 PolarHBondContact NH2-OE1 3.43Å; R196-E260 IonicContact NH2-OE2 3.44Å; Y199-E260 PolarHBondContact OH-O 2.7Å; E260-P323 HydrophobicContact CG-CB 3.98Å; E260-D328 PolarHBondContact N-OD2 3.18Å
261	T	98.1	Very high	97.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.187	C	C	.	.			trans	-71.8	137.2	176.7	58.7	0	0	0	0	113.6	R196 S263 G264 S265 E268 S270 G317 S321	R196-T261 PolarHBondContact NH1-O 3.35Å; R196-T261 PolarHBondContact NH2-O 3.19Å; R196-T261 VanDerWaalsContact NH2-O 3.09Å; T261-S263 PolarHBondContact O-N 3.38Å; T261-G264 PolarHBondContact O-N 3.31Å; T261-G264 WeakPolarHBondContact OG1-CA 3.42Å; T261-G264 PolarHBondContact OG1-N 3.08Å; T261-S265 WeakPolarHBondContact CB-O 3.41Å; T261-S265 WeakPolarHBondContact CG2-O 3.48Å; T261-S265 PolarHBondContact OG1-N 2.98Å; T261-S265 PolarHBondContact OG1-O 3.18Å; T261-E268 HydrophobicContact CG2-CB 3.84Å; T261-S270 WeakPolarHBondContact CA-OG 3.26Å; T261-G317 WeakPolarHBondContact CG2-O 3.21Å; T261-S321 PolarHBondContact N-OG 3.27Å; T261-S321 WeakPolarHBondContact OG1-CB 3.19Å; T261-S321 PolarHBondContact OG1-OG 2.82Å
262	R	96.8	Very high	97.5	Very high	66 Å²	66	32.2 Å²	32.2	25%	0.249	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-44.9	179.3	-65.3	178.1	173.7	-79.4	9.9	112.3	R196 Y199 E202 G264 S271	R196-R262 PolarHBondContact NH1-O 2.76Å; Y199-R262 HydrophobicContact CD1-CG 4.25Å; Y199-R262 HydrophobicContact CD2-CB 4.37Å; Y199-R262 HydrophobicContact CD2-CG 4.05Å; Y199-R262 HydrophobicContact CE1-CG 3.93Å; Y199-R262 VanDerWaalsContact CE1-CZ 3.46Å; Y199-R262 HydrophobicContact CE2-CB 4.27Å; Y199-R262 HydrophobicContact CE2-CG 3.74Å; Y199-R262 HydrophobicContact CG-CG 4.28Å; E202-R262 IonicContact OE1-CZ 3.36Å; E202-R262 IonicContact OE1-NH1 3.45Å; E202-R262 IonicContact OE1-NH2 2.89Å; E202-R262 PolarHBondContact OE1-NH2 2.66Å; E202-R262 IonicContact OE2-CZ 2.89Å; E202-R262 IonicContact OE2-NH1 2.84Å; E202-R262 PolarHBondContact OE2-NH1 3.03Å; E202-R262 IonicContact OE2-NH2 3.97Å; E202-R262 PolarHBondContact OE2-NH2 3.3Å; R262-G264 VanDerWaalsContact C-N 3.32Å; R262-S271 PolarHBondContact NH2-O 3.43Å
263	S	95.7	Very high	97.6	Very high	82 Å²	82	33 Å²	33	57%	0.573	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-12.8	179.8	69.8	0	0	0	0	114.1	T261 S265 E268	T261-S263 PolarHBondContact O-N 3.38Å; S263-S265 VanDerWaalsContact C-N 3.27Å; S263-S265 VanDerWaalsContact OG-CB 3.28Å; S263-S265 WeakPolarHBondContact OG-CB 3.28Å; S263-S265 PolarHBondContact OG-N 3.02Å; S263-S265 PolarHBondContact OG-OG 3.36Å; S263-E268 WeakPolarHBondContact CB-OE2 3.47Å; S263-E268 PolarHBondContact N-OE2 3.22Å; S263-E268 PolarHBondContact OG-OE2 2.84Å
264	G	94	Very high	97.6	Very high	49 Å²	49	33.3 Å²	33.3	51%	0.505	20%	0.195	S	C	.	.			trans	77.4	10.2	-168.7	0	0	0	0	0	113.7	T261 R262	T261-G264 PolarHBondContact O-N 3.31Å; T261-G264 WeakPolarHBondContact OG1-CA 3.42Å; T261-G264 PolarHBondContact OG1-N 3.08Å; R262-G264 VanDerWaalsContact C-N 3.32Å
265	S	96.2	Very high	97.6	Very high	39 Å²	39	34.2 Å²	34.2	27%	0.273	20%	0.2	S	C	.	.			trans	-64.6	161.3	170.3	68.3	0	0	0	0	111.4	T261 S263 H267 E268 S321	T261-S265 WeakPolarHBondContact CB-O 3.41Å; T261-S265 WeakPolarHBondContact CG2-O 3.48Å; T261-S265 PolarHBondContact OG1-N 2.98Å; T261-S265 PolarHBondContact OG1-O 3.18Å; S263-S265 VanDerWaalsContact C-N 3.27Å; S263-S265 VanDerWaalsContact OG-CB 3.28Å; S263-S265 WeakPolarHBondContact OG-CB 3.28Å; S263-S265 PolarHBondContact OG-N 3.02Å; S263-S265 PolarHBondContact OG-OG 3.36Å; S265-H267 VanDerWaalsContact C-N 3.33Å; S265-H267 PolarHBondContact OG-O 3.29Å; S265-E268 WeakPolarHBondContact OG-CB 3.38Å; S265-S321 WeakPolarHBondContact O-CB 3.19Å
266	A	94.7	Very high	97.6	Very high	63 Å²	63	36.5 Å²	36.5	52%	0.521	22%	0.22	S	C	.	.	S	Bend	trans	-68.4	-34.2	174	0	0	0	0	0	112.4	Y320 S321	A266-Y320 CarbonylContact O-C 3.6Å; A266-Y320 VanDerWaalsContact O-CA 3.29Å; A266-Y320 WeakPolarHBondContact O-CA 3.47Å; A266-S321 PolarHBondContact O-N 3.49Å
267	H	96.3	Very high	97.6	Very high	107 Å²	107	36.2 Å²	36.2	50%	0.495	22%	0.219	S	C	.	.	S	Bend	trans	-137.6	117.8	-176.4	-54.1	-80.9	0	0	0	109.6	S265 G317 W319	S265-H267 VanDerWaalsContact C-N 3.33Å; S265-H267 PolarHBondContact OG-O 3.29Å; H267-G317 CarbonylContact C-O 3.58Å; H267-G317 WeakPolarHBondContact CA-O 3.49Å; H267-W319 PolarHBondContact CE1-O 3.14Å; H267-W319 PolarHBondContact ND1-O 2.98Å
268	E	97.2	Very high	97.6	Very high	63 Å²	63	36.2 Å²	36.2	29%	0.294	22%	0.219	S	C	.	.			trans	-164.2	126.7	175.5	171.5	-174.6	-163.3	0	0	110	T261 S263 S265 S270 G317 A318	T261-E268 HydrophobicContact CG2-CB 3.84Å; S263-E268 WeakPolarHBondContact CB-OE2 3.47Å; S263-E268 PolarHBondContact N-OE2 3.22Å; S263-E268 PolarHBondContact OG-OE2 2.84Å; S265-E268 WeakPolarHBondContact OG-CB 3.38Å; E268-S270 PolarHBondContact O-N 3.21Å; E268-S270 PolarHBondContact O-OG 3.29Å; E268-G317 CarbonylContact C-O 3.27Å; E268-G317 PolarHBondContact N-O 2.91Å; E268-G317 CarbonylContact O-C 3.19Å; E268-G317 WeakPolarHBondContact O-CA 3.37Å; E268-G317 VanDerWaalsContact O-O 3.12Å; E268-A318 PolarHBondContact O-N 3.4Å; E268-A318 VanDerWaalsContact O-N 3.16Å
269	Y	98.2	Very high	97.6	Very high	102 Å²	102	38.4 Å²	38.4	40%	0.4	23%	0.23	S	C	.	.			trans	-58.5	115.4	173.3	-164.9	-85.8	0	0	0	111	Y256 D275 Q279 N315 A318	Y256-Y269 PolarHBondContact OH-OH 3.45Å; Y256-Y269 VanDerWaalsContact OH-OH 3.04Å; Y269-D275 PolarHBondContact OH-OD1 3.2Å; Y269-D275 PolarHBondContact OH-OD2 3.09Å; Y269-D275 VanDerWaalsContact OH-OD2 3.08Å; Y269-Q279 PolarHBondContact OH-NE2 3.04Å; Y269-N315 WeakPolarHBondContact CA-OD1 3.37Å; Y269-N315 HydrophobicContact CD2-CB 3.59Å; Y269-N315 HydrophobicContact CE2-CB 3.31Å; Y269-N315 HydrophobicContact CG-CB 4.37Å; Y269-A318 HydrophobicContact CD2-CB 3.93Å
270	S	98	Very high	97.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	24%	0.237	C	C	.	.			trans	-115.9	79.8	-172.8	-63.7	0	0	0	0	109.6	Y258 T261 E268 N315	Y258-S270 WeakPolarHBondContact CB-O 3.1Å; Y258-S270 PolarHBondContact N-O 3.02Å; T261-S270 WeakPolarHBondContact CA-OG 3.26Å; E268-S270 PolarHBondContact O-N 3.21Å; E268-S270 PolarHBondContact O-OG 3.29Å; S270-N315 PolarHBondContact N-OD1 2.96Å; S270-N315 PolarHBondContact O-ND2 3.08Å; S270-N315 VanDerWaalsContact O-ND2 3.09Å
271	S	97.9	Very high	97.6	Very high	49 Å²	49	39 Å²	39	34%	0.343	24%	0.235	S	C	.	.			trans	-60.1	135.1	-178.7	-172.2	0	0	0	0	111.5	R262 D275	R262-S271 PolarHBondContact NH2-O 3.43Å; S271-D275 VanDerWaalsContact OG-CB 3.3Å; S271-D275 WeakPolarHBondContact OG-CB 3.41Å
272	S	98.4	Very high	97.7	Very high	5 Å²	5	39 Å²	39	4%	0.035	24%	0.235	C	C	.	.			trans	-87	164.6	163.2	63.5	0	0	0	0	111.4	Y258 D274 D275 F278	Y258-S272 VanDerWaalsContact CE2-CA 3.41Å; S272-D274 PolarHBondContact O-N 3.45Å; S272-D275 VanDerWaalsContact O-CB 3.28Å; S272-D275 WeakPolarHBondContact O-CB 3.23Å; S272-D275 PolarHBondContact O-N 2.82Å; S272-D275 PolarHBondContact OG-N 3.37Å; S272-F278 WeakPolarHBondContact OG-CD2 3.47Å
273	P	98.7	Very high	97.8	Very high	38 Å²	38	40.7 Å²	40.7	25%	0.247	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-30.7	171.8	-26.4	36.2	0	0	0	113.1	I398 D399 H400	P273-I398 HydrophobicContact CB-CG2 4.02Å; P273-D399 VanDerWaalsContact CG-O 3.24Å; P273-D399 WeakPolarHBondContact CG-O 3.33Å; P273-H400 HydrophobicContact CB-CB 3.92Å; P273-H400 HydrophobicContact CG-CB 4.14Å
274	D	98.8	Very high	97.9	Very high	5 Å²	5	37.1 Å²	37.1	3%	0.027	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	22.2	178.7	-78.3	-70.8	0	0	0	114	S272 A276 I277 F278 Y331 F337 H400 R412	S272-D274 PolarHBondContact O-N 3.45Å; D274-A276 PolarHBondContact O-N 2.78Å; D274-A276 VanDerWaalsContact O-N 3.08Å; D274-I277 HydrophobicContact CB-CG2 3.63Å; D274-I277 WeakPolarHBondContact O-CG2 3.28Å; D274-I277 PolarHBondContact O-N 2.86Å; D274-F278 HydrophobicContact CB-CD2 4.02Å; D274-F278 HydrophobicContact CB-CE2 4.06Å; D274-F278 WeakPolarHBondContact O-CD2 3.37Å; D274-F278 PolarHBondContact O-N 2.94Å; D274-Y331 HydrophobicContact CB-CE2 4.15Å; D274-Y331 VanDerWaalsContact CB-OH 3.3Å; D274-Y331 WeakPolarHBondContact CB-OH 3.45Å; D274-Y331 PolarHBondContact N-OH 3.39Å; D274-Y331 PolarHBondContact OD2-OH 3.45Å; D274-F337 HydrophobicContact CB-CE2 3.64Å; D274-F337 HydrophobicContact CB-CZ 4.2Å; D274-H400 IonicContact OD2-CD2 2.93Å; D274-H400 PolarHBondContact OD2-CD2 2.94Å; D274-H400 IonicContact OD2-CG 2.98Å; D274-R412 IonicContact OD1-CZ 3.87Å; D274-R412 IonicContact OD1-NH2 3.58Å; D274-R412 PolarHBondContact OD1-NH2 3.33Å; D274-R412 IonicContact OD2-CZ 3.86Å; D274-R412 IonicContact OD2-NH1 3.25Å; D274-R412 IonicContact OD2-NH2 2.99Å; D274-R412 PolarHBondContact OD2-NH2 3.18Å
275	D	98.8	Very high	98.1	Very high	19 Å²	19	34.8 Å²	34.8	10%	0.102	19%	0.193	C	C	.	.	H	α-helix	trans	-50.7	-40.8	-174.7	-174.5	74.5	0	0	0	113.7	Y269 S271 S272 I277 F278 Q279	Y269-D275 PolarHBondContact OH-OD1 3.2Å; Y269-D275 PolarHBondContact OH-OD2 3.09Å; Y269-D275 VanDerWaalsContact OH-OD2 3.08Å; S271-D275 VanDerWaalsContact OG-CB 3.3Å; S271-D275 WeakPolarHBondContact OG-CB 3.41Å; S272-D275 VanDerWaalsContact O-CB 3.28Å; S272-D275 WeakPolarHBondContact O-CB 3.23Å; S272-D275 PolarHBondContact O-N 2.82Å; S272-D275 PolarHBondContact OG-N 3.37Å; D275-I277 PolarHBondContact O-N 3.15Å; D275-F278 PolarHBondContact O-N 3.24Å; D275-Q279 WeakPolarHBondContact O-CG 3.41Å; D275-Q279 PolarHBondContact O-N 3.2Å; D275-Q279 PolarHBondContact OD2-NE2 2.83Å
276	A	98.6	Very high	98.2	Very high	53 Å²	53	33 Å²	33	44%	0.438	18%	0.18	S	C	.	.	H	α-helix	trans	-64.9	-38.5	-179.8	0	0	0	0	0	113.7	D274 S280 I415	D274-A276 PolarHBondContact O-N 2.78Å; D274-A276 VanDerWaalsContact O-N 3.08Å; A276-S280 PolarHBondContact O-N 2.71Å; A276-I415 HydrophobicContact CB-CD1 3.99Å
277	I	98.7	Very high	98.4	Very high	5 Å²	5	33.3 Å²	33.3	3%	0.026	18%	0.178	C	C	.	.	H	α-helix	trans	-75.8	-36.2	175.8	-175.4	61.1	0	0	0	110.3	D274 D275 Q279 S280 L281 F337 L413 I415	D274-I277 HydrophobicContact CB-CG2 3.63Å; D274-I277 WeakPolarHBondContact O-CG2 3.28Å; D274-I277 PolarHBondContact O-N 2.86Å; D275-I277 PolarHBondContact O-N 3.15Å; I277-Q279 PolarHBondContact O-N 2.99Å; I277-S280 CarbonylContact O-C 3.49Å; I277-S280 WeakPolarHBondContact O-CA 3.47Å; I277-S280 WeakPolarHBondContact O-CB 3.48Å; I277-S280 PolarHBondContact O-N 2.82Å; I277-S280 VanDerWaalsContact O-N 3.09Å; I277-L281 HydrophobicContact CD1-CG 4.39Å; I277-L281 HydrophobicContact CG1-CD1 4.22Å; I277-L281 HydrophobicContact CG1-CG 4.25Å; I277-L281 WeakPolarHBondContact O-CB 3.39Å; I277-L281 VanDerWaalsContact O-CG 3.26Å; I277-L281 WeakPolarHBondContact O-CG 3.19Å; I277-L281 PolarHBondContact O-N 3Å; I277-F337 HydrophobicContact CG2-CD2 4.31Å; I277-F337 HydrophobicContact CG2-CE2 3.83Å; I277-L413 HydrophobicContact CG1-CB 4.11Å; I277-I415 HydrophobicContact CB-CG2 3.99Å; I277-I415 HydrophobicContact CD1-CG2 3.83Å
278	F	98.9	Very high	98.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60.7	-45.2	173.4	-85.3	-60.4	0	0	0	113.2	Y256 P257 S272 D274 D275 S280 L281 A282 Y331 F337 I339	Y256-F278 HydrophobicContact CD2-CB 4.01Å; Y256-F278 HydrophobicContact CG-CB 4.25Å; P257-F278 HydrophobicContact CB-CD2 4.49Å; P257-F278 HydrophobicContact CB-CE2 4.26Å; P257-F278 HydrophobicContact CB-CZ 4.38Å; P257-F278 HydrophobicContact CG-CD1 4.15Å; P257-F278 HydrophobicContact CG-CD2 4.46Å; P257-F278 HydrophobicContact CG-CE1 3.76Å; P257-F278 HydrophobicContact CG-CE2 4.09Å; P257-F278 HydrophobicContact CG-CG 4.49Å; P257-F278 HydrophobicContact CG-CZ 3.73Å; S272-F278 WeakPolarHBondContact OG-CD2 3.47Å; D274-F278 HydrophobicContact CB-CD2 4.02Å; D274-F278 HydrophobicContact CB-CE2 4.06Å; D274-F278 WeakPolarHBondContact O-CD2 3.37Å; D274-F278 PolarHBondContact O-N 2.94Å; D275-F278 PolarHBondContact O-N 3.24Å; F278-S280 VanDerWaalsContact C-N 3.28Å; F278-S280 PolarHBondContact O-N 2.97Å; F278-L281 HydrophobicContact CD1-CD1 4.36Å; F278-L281 PolarHBondContact O-N 3.39Å; F278-L281 VanDerWaalsContact O-N 3.17Å; F278-A282 WeakPolarHBondContact O-CB 3.38Å; F278-A282 PolarHBondContact O-N 3.29Å; F278-Y331 HydrophobicContact CE2-CD1 4.45Å; F278-Y331 AromaticContact CE2-CD2 3.75Å; F278-Y331 HydrophobicContact CE2-CD2 3.75Å; F278-Y331 HydrophobicContact CE2-CE1 4.35Å; F278-Y331 AromaticContact CE2-CE2 3.63Å; F278-Y331 HydrophobicContact CE2-CE2 3.63Å; F278-Y331 HydrophobicContact CE2-CG 4.17Å; F278-Y331 AromaticContact CE2-CZ 3.96Å; F278-Y331 AromaticContact CZ-CD2 3.62Å; F278-Y331 HydrophobicContact CZ-CD2 3.62Å; F278-Y331 AromaticContact CZ-CE2 3.96Å; F278-Y331 HydrophobicContact CZ-CE2 3.96Å; F278-Y331 HydrophobicContact CZ-CG 4.02Å; F278-F337 HydrophobicContact CD2-CD2 4.5Å; F278-F337 HydrophobicContact CE1-CB 3.89Å; F278-F337 AromaticContact CE1-CD2 3.94Å; F278-F337 HydrophobicContact CE1-CD2 3.94Å; F278-F337 HydrophobicContact CE1-CG 4.26Å; F278-F337 AromaticContact CE2-CD2 3.9Å; F278-F337 HydrophobicContact CE2-CD2 3.9Å; F278-F337 HydrophobicContact CE2-CE2 4.22Å; F278-F337 HydrophobicContact CZ-CB 4Å; F278-F337 AromaticContact CZ-CD2 3.58Å; F278-F337 HydrophobicContact CZ-CD2 3.58Å; F278-F337 HydrophobicContact CZ-CE2 4.31Å; F278-F337 AromaticContact CZ-CG 3.94Å; F278-F337 HydrophobicContact CZ-CG 3.94Å; F278-I339 HydrophobicContact CD1-CG2 4Å; F278-I339 HydrophobicContact CE1-CG2 4.42Å
279	Q	98.8	Very high	98.6	Very high	47 Å²	47	30.4 Å²	30.4	22%	0.22	16%	0.164	C	C	.	.	H	α-helix	trans	-57.3	-42.5	171.2	-74.3	-173.5	52	0	0	111.6	Y256 Y269 D275 I277 R283	Y256-Q279 HydrophobicContact CE1-CG 4.1Å; Y256-Q279 HydrophobicContact CE2-CG 3.84Å; Y269-Q279 PolarHBondContact OH-NE2 3.04Å; D275-Q279 WeakPolarHBondContact O-CG 3.41Å; D275-Q279 PolarHBondContact O-N 3.2Å; D275-Q279 PolarHBondContact OD2-NE2 2.83Å; I277-Q279 PolarHBondContact O-N 2.99Å; Q279-R283 WeakPolarHBondContact O-CB 3.44Å; Q279-R283 VanDerWaalsContact O-CG 3.29Å; Q279-R283 WeakPolarHBondContact O-CG 3.38Å; Q279-R283 PolarHBondContact O-N 2.74Å
280	S	98.7	Very high	98.5	Very high	27 Å²	27	29.3 Å²	29.3	19%	0.189	17%	0.169	C	C	.	.	H	α-helix	trans	-65.4	-37.7	176.9	-178.5	0	0	0	0	112.8	A276 I277 F278 A284 R374	A276-S280 PolarHBondContact O-N 2.71Å; I277-S280 CarbonylContact O-C 3.49Å; I277-S280 WeakPolarHBondContact O-CA 3.47Å; I277-S280 WeakPolarHBondContact O-CB 3.48Å; I277-S280 PolarHBondContact O-N 2.82Å; I277-S280 VanDerWaalsContact O-N 3.09Å; F278-S280 VanDerWaalsContact C-N 3.28Å; F278-S280 PolarHBondContact O-N 2.97Å; S280-A284 PolarHBondContact O-N 3.32Å; S280-A284 VanDerWaalsContact O-N 3.07Å; S280-R374 PolarHBondContact OG-NH1 3.32Å; S280-R374 PolarHBondContact OG-NH2 3.09Å
281	L	98.8	Very high	98.4	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-69.4	-46.3	178.2	-72	172.7	0	0	0	111	L243 I277 F278 R283 A284 Y285 F337 I339 Y368 Q371 L413	L243-L281 HydrophobicContact CD1-CD1 3.77Å; L243-L281 HydrophobicContact CD1-CD2 3.94Å; L243-L281 HydrophobicContact CD1-CG 4.45Å; L243-L281 HydrophobicContact CD2-CD2 4.3Å; I277-L281 HydrophobicContact CD1-CG 4.39Å; I277-L281 HydrophobicContact CG1-CD1 4.22Å; I277-L281 HydrophobicContact CG1-CG 4.25Å; I277-L281 WeakPolarHBondContact O-CB 3.39Å; I277-L281 VanDerWaalsContact O-CG 3.26Å; I277-L281 WeakPolarHBondContact O-CG 3.19Å; I277-L281 PolarHBondContact O-N 3Å; F278-L281 HydrophobicContact CD1-CD1 4.36Å; F278-L281 PolarHBondContact O-N 3.39Å; F278-L281 VanDerWaalsContact O-N 3.17Å; L281-R283 VanDerWaalsContact C-N 3.32Å; L281-R283 PolarHBondContact O-N 3.47Å; L281-A284 WeakPolarHBondContact O-CB 3.38Å; L281-A284 PolarHBondContact O-N 2.73Å; L281-A284 VanDerWaalsContact O-N 3.15Å; L281-Y285 PolarHBondContact O-N 3.1Å; L281-F337 HydrophobicContact CD1-CB 4.4Å; L281-F337 HydrophobicContact CD1-CD2 4.47Å; L281-I339 HydrophobicContact CB-CG2 4.48Å; L281-Y368 HydrophobicContact CB-CE2 4.01Å; L281-Y368 WeakPolarHBondContact O-CD2 3.44Å; L281-Q371 HydrophobicContact CD2-CB 3.46Å; L281-Q371 VanDerWaalsContact CD2-CB 3.46Å; L281-Q371 HydrophobicContact CD2-CG 3.98Å; L281-L413 HydrophobicContact CD1-CD1 4.28Å
282	A	98.9	Very high	98.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-59.5	-43.1	175.5	0	0	0	0	0	111.6	A254 Y256 F278 A284 Y285 S286 T313	A254-A282 HydrophobicContact CB-CB 3.92Å; Y256-A282 HydrophobicContact CD1-CB 3.73Å; Y256-A282 HydrophobicContact CG-CB 4.46Å; F278-A282 WeakPolarHBondContact O-CB 3.38Å; F278-A282 PolarHBondContact O-N 3.29Å; A282-A284 VanDerWaalsContact C-N 3.34Å; A282-A284 PolarHBondContact O-N 3Å; A282-Y285 PolarHBondContact O-N 3.42Å; A282-S286 PolarHBondContact O-N 2.77Å; A282-T313 HydrophobicContact CB-CG2 3.73Å
283	R	98.6	Very high	98.3	Very high	101 Å²	101	30.7 Å²	30.7	38%	0.381	18%	0.181	S	C	.	.	H	α-helix	trans	-65.5	-33	175.5	-73.7	179.7	-172.6	152.5	11.2	113.4	Q279 L281 Y285 S286 S287 T313	Q279-R283 WeakPolarHBondContact O-CB 3.44Å; Q279-R283 VanDerWaalsContact O-CG 3.29Å; Q279-R283 WeakPolarHBondContact O-CG 3.38Å; Q279-R283 PolarHBondContact O-N 2.74Å; L281-R283 VanDerWaalsContact C-N 3.32Å; L281-R283 PolarHBondContact O-N 3.47Å; R283-Y285 PolarHBondContact O-N 2.9Å; R283-S286 WeakPolarHBondContact CA-OG 3.23Å; R283-S286 PolarHBondContact O-N 2.89Å; R283-S287 WeakPolarHBondContact O-CB 3.28Å; R283-S287 PolarHBondContact O-N 2.76Å; R283-S287 PolarHBondContact O-OG 2.92Å; R283-T313 HydrophobicContact CB-CG2 4.48Å; R283-T313 HydrophobicContact CG-CG2 3.76Å
284	A	98.5	Very high	98.1	Very high	6 Å²	6	32.2 Å²	32.2	5%	0.05	19%	0.187	C	C	.	.	H	α-helix	trans	-62.1	-32.1	175.7	0	0	0	0	0	111.7	S280 L281 A282 S367 Q371	S280-A284 PolarHBondContact O-N 3.32Å; S280-A284 VanDerWaalsContact O-N 3.07Å; L281-A284 WeakPolarHBondContact O-CB 3.38Å; L281-A284 PolarHBondContact O-N 2.73Å; L281-A284 VanDerWaalsContact O-N 3.15Å; A282-A284 VanDerWaalsContact C-N 3.34Å; A282-A284 PolarHBondContact O-N 3Å; A284-S367 PolarHBondContact O-OG 3.03Å; A284-Q371 HydrophobicContact CB-CG 3.57Å
285	Y	98.9	Very high	97.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-78.2	-54.9	170.1	-163.3	-74.9	0	0	0	111.8	L281 A282 R283 S287 F288 M292 V341 L343 N361 S364 L365 Y368	L281-Y285 PolarHBondContact O-N 3.1Å; A282-Y285 PolarHBondContact O-N 3.42Å; R283-Y285 PolarHBondContact O-N 2.9Å; Y285-S287 PolarHBondContact O-N 2.87Å; Y285-F288 PolarHBondContact O-N 3Å; Y285-M292 HydrophobicContact CD1-CE 4.3Å; Y285-M292 HydrophobicContact CD1-SD 4.19Å; Y285-M292 HydrophobicContact CE1-CE 4.2Å; Y285-V341 HydrophobicContact CD1-CG1 3.69Å; Y285-V341 HydrophobicContact CD2-CG1 4.45Å; Y285-V341 HydrophobicContact CD2-CG2 4.16Å; Y285-V341 HydrophobicContact CE1-CG1 3.43Å; Y285-V341 VanDerWaalsContact CE1-CG1 3.43Å; Y285-V341 HydrophobicContact CE2-CG1 4.21Å; Y285-V341 HydrophobicContact CE2-CG2 4.38Å; Y285-V341 HydrophobicContact CG-CG1 4.22Å; Y285-V341 HydrophobicContact CG-CG2 4.25Å; Y285-L343 HydrophobicContact CE1-CD2 4.18Å; Y285-L343 WeakPolarHBondContact OH-CD2 3.29Å; Y285-N361 PolarHBondContact OH-OD1 2.86Å; Y285-S364 VanDerWaalsContact O-CB 3.28Å; Y285-S364 WeakPolarHBondContact O-CB 3.31Å; Y285-S364 PolarHBondContact O-OG 3.15Å; Y285-L365 HydrophobicContact CE2-CD2 3.94Å; Y285-L365 HydrophobicContact CE2-CG 4.22Å; Y285-Y368 HydrophobicContact CD2-CG 4.21Å
286	S	98.6	Very high	97.3	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.014	25%	0.252	C	S	.	.	H	α-helix	trans	-63.1	-39.1	-168.2	73.8	0	0	0	0	113	A282 R283 F288 N289 M292 S293 D311 G312 T313	A282-S286 PolarHBondContact O-N 2.77Å; R283-S286 WeakPolarHBondContact CA-OG 3.23Å; R283-S286 PolarHBondContact O-N 2.89Å; S286-F288 VanDerWaalsContact C-N 3.26Å; S286-F288 PolarHBondContact O-N 3.39Å; S286-N289 PolarHBondContact O-N 2.94Å; S286-N289 VanDerWaalsContact O-N 3.12Å; S286-M292 VanDerWaalsContact CB-SD 3.59Å; S286-S293 WeakPolarHBondContact O-CB 3.08Å; S286-D311 PolarHBondContact OG-O 3.04Å; S286-G312 WeakPolarHBondContact CB-O 3.42Å; S286-T313 WeakPolarHBondContact OG-CG2 3.18Å
287	S	98.3	Very high	96.9	Very high	69 Å²	69	42.4 Å²	42.4	48%	0.483	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-24.5	-175.5	60.5	0	0	0	0	114.6	R283 Y285	R283-S287 WeakPolarHBondContact O-CB 3.28Å; R283-S287 PolarHBondContact O-N 2.76Å; R283-S287 PolarHBondContact O-OG 2.92Å; Y285-S287 PolarHBondContact O-N 2.87Å
288	F	98.2	Very high	96.4	Very high	109 Å²	109	47.1 Å²	47.1	48%	0.478	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-8.8	177.5	-78.2	-87.9	0	0	0	113.7	Y285 S286 P290 N363 S364 S367	Y285-F288 PolarHBondContact O-N 3Å; S286-F288 VanDerWaalsContact C-N 3.26Å; S286-F288 PolarHBondContact O-N 3.39Å; F288-P290 WeakPolarHBondContact O-CD 3.25Å; F288-N363 HydrophobicContact CB-CB 4.26Å; F288-N363 HydrophobicContact CD1-CB 4.11Å; F288-S364 WeakPolarHBondContact CB-OG 3.41Å; F288-S367 WeakPolarHBondContact CD2-OG 3.44Å; F288-S367 VanDerWaalsContact CE2-OG 3.3Å; F288-S367 WeakPolarHBondContact CE2-OG 3.35Å
289	N	98.6	Very high	96.1	Very high	1 Å²	1	50 Å²	50	1%	0.005	29%	0.287	C	S	.	.			trans	-93.1	114.2	174.5	178.8	-51.1	0	0	0	108.8	S286 A291 M292 S293 D360 N361 S364	S286-N289 PolarHBondContact O-N 2.94Å; S286-N289 VanDerWaalsContact O-N 3.12Å; N289-A291 VanDerWaalsContact C-N 3.29Å; N289-A291 PolarHBondContact O-N 3.49Å; N289-A291 PolarHBondContact OD1-N 2.91Å; N289-M292 HydrophobicContact CB-CB 3.79Å; N289-M292 PolarHBondContact O-N 3.5Å; N289-M292 WeakPolarHBondContact OD1-CB 3.45Å; N289-M292 PolarHBondContact OD1-N 2.86Å; N289-S293 WeakPolarHBondContact O-CB 3.46Å; N289-S293 PolarHBondContact O-N 3.14Å; N289-S293 PolarHBondContact O-OG 2.95Å; N289-D360 WeakPolarHBondContact CA-O 3.37Å; N289-N361 PolarHBondContact ND2-OD1 2.75Å; N289-S364 WeakPolarHBondContact CB-OG 3.45Å; N289-S364 PolarHBondContact N-OG 2.82Å
290	P	97.4	Very high	95.8	Very high	78 Å²	78	49.2 Å²	49.2	51%	0.506	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-33.5	-172.9	-24.7	34.4	0	0	0	114.4	F288	F288-P290 WeakPolarHBondContact O-CD 3.25Å
291	A	95.9	Very high	95.3	Very high	40 Å²	40	53.3 Å²	53.3	33%	0.331	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-39.7	-178.8	0	0	0	0	0	111.6	L252 N289 N294	L252-A291 HydrophobicContact CD2-CB 3.63Å; N289-A291 VanDerWaalsContact C-N 3.29Å; N289-A291 PolarHBondContact O-N 3.49Å; N289-A291 PolarHBondContact OD1-N 2.91Å; A291-N294 PolarHBondContact O-N 3.37Å
292	M	97.5	Very high	94.5	Very high	1 Å²	1	63.3 Å²	63.3	1%	0.005	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-39.9	179.7	-168.9	-178.3	-67.9	0	0	112.2	L252 A254 Y285 S286 N289 N294 G312 V341 E342	L252-M292 HydrophobicContact CD1-CB 4.33Å; L252-M292 HydrophobicContact CD1-CE 3.99Å; L252-M292 HydrophobicContact CD2-CB 4.42Å; L252-M292 HydrophobicContact CG-CB 4.02Å; L252-M292 HydrophobicContact CG-CE 4.43Å; L252-M292 HydrophobicContact CG-CG 4.33Å; A254-M292 HydrophobicContact CB-SD 4.15Å; Y285-M292 HydrophobicContact CD1-CE 4.3Å; Y285-M292 HydrophobicContact CD1-SD 4.19Å; Y285-M292 HydrophobicContact CE1-CE 4.2Å; S286-M292 VanDerWaalsContact CB-SD 3.59Å; N289-M292 HydrophobicContact CB-CB 3.79Å; N289-M292 PolarHBondContact O-N 3.5Å; N289-M292 WeakPolarHBondContact OD1-CB 3.45Å; N289-M292 PolarHBondContact OD1-N 2.86Å; M292-N294 VanDerWaalsContact C-N 3.27Å; M292-N294 PolarHBondContact O-N 3.28Å; M292-G312 WeakPolarHBondContact O-CA 3.48Å; M292-V341 HydrophobicContact CE-CG1 4.01Å; M292-E342 VanDerWaalsContact CE-O 3.23Å; M292-E342 WeakPolarHBondContact CE-O 3.39Å
293	S	96.3	Very high	93.8	Very high	43 Å²	43	70.7 Å²	70.7	30%	0.301	38%	0.381	S	S	.	.	S	Bend	trans	-76.6	-8.1	178.2	57.2	0	0	0	0	114.4	S286 N289 P295	S286-S293 WeakPolarHBondContact O-CB 3.08Å; N289-S293 WeakPolarHBondContact O-CB 3.46Å; N289-S293 PolarHBondContact O-N 3.14Å; N289-S293 PolarHBondContact O-OG 2.95Å; S293-P295 VanDerWaalsContact O-CD 3.25Å; S293-P295 WeakPolarHBondContact O-CD 3.46Å
294	N	95.1	Very high	93.2	Very high	69 Å²	69	68.2 Å²	68.2	37%	0.369	38%	0.375	S	S	.	.			trans	-71.8	113.9	-177.8	178.6	2.9	0	0	0	110.8	A291 M292 N296 R297	A291-N294 PolarHBondContact O-N 3.37Å; M292-N294 VanDerWaalsContact C-N 3.27Å; M292-N294 PolarHBondContact O-N 3.28Å; N294-N296 PolarHBondContact O-N 3.09Å; N294-N296 VanDerWaalsContact O-N 3.12Å; N294-N296 PolarHBondContact OD1-N 3.2Å; N294-R297 HydrophobicContact CB-CB 4.26Å; N294-R297 WeakPolarHBondContact O-CB 3.34Å; N294-R297 WeakPolarHBondContact O-CG 3.12Å; N294-R297 PolarHBondContact O-N 3.44Å
295	P	90.1	Very high	92.6	Very high	114 Å²	114	72.5 Å²	72.5	74%	0.74	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-14.5	-178.2	29.9	-36.7	0	0	0	113.2	S293	S293-P295 VanDerWaalsContact O-CD 3.25Å; S293-P295 WeakPolarHBondContact O-CD 3.46Å
296	N	90.3	Very high	92.1	Very high	140 Å²	140	73.8 Å²	73.8	75%	0.749	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	15.7	177.7	-56.5	-62.1	0	0	0	112.1	N294	N294-N296 PolarHBondContact O-N 3.09Å; N294-N296 VanDerWaalsContact O-N 3.12Å; N294-N296 PolarHBondContact OD1-N 3.2Å
297	R	89.5	Confident	91.7	Very high	38 Å²	38	78.2 Å²	78.2	14%	0.143	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-61.5	135.5	177.6	74.6	168.9	-165.8	67.6	-18.1	109.8	D251 L252 N294 D306	D251-R297 IonicContact OD1-NH2 2.77Å; D251-R297 PolarHBondContact OD1-NH2 2.85Å; D251-R297 VanDerWaalsContact OD1-NH2 3.13Å; L252-R297 PolarHBondContact O-NE 2.89Å; L252-R297 PolarHBondContact O-NH2 3Å; N294-R297 HydrophobicContact CB-CB 4.26Å; N294-R297 WeakPolarHBondContact O-CB 3.34Å; N294-R297 WeakPolarHBondContact O-CG 3.12Å; N294-R297 PolarHBondContact O-N 3.44Å; R297-D306 IonicContact CZ-OD2 3.52Å; R297-D306 IonicContact NH1-OD2 2.72Å; R297-D306 PolarHBondContact NH1-OD2 3.11Å; R297-D306 IonicContact NH2-OD2 3.96Å; R297-D306 PolarHBondContact NH2-OD2 3.33Å
298	P	89.3	Confident	91.4	Very high	103 Å²	103	76.2 Å²	76.2	67%	0.669	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-68	153.2	170.3	29.9	-33.6	0	0	0	109.8
299	P	91.6	Very high	91.2	Very high	60 Å²	60	72.4 Å²	72.4	39%	0.39	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-57.9	148	165.5	-24.1	34.5	0	0	0	111.2	R301 D304 D306	P299-R301 WeakPolarHBondContact CB-O 3.04Å; P299-R301 PolarHBondContact O-N 2.86Å; P299-D304 HydrophobicContact CB-CB 4.28Å; P299-D306 WeakPolarHBondContact CA-OD2 3.36Å
300	C	92.7	Very high	91	Very high	31 Å²	31	76.1 Å²	76.1	21%	0.209	43%	0.427	C	S	.	.	S	Bend	trans	-60.2	-35.8	179.9	-74.3	0	0	0	0	112.1	C345	C300-C345 WeakPolarHBondContact CA-SG 3.4Å; C300-C345 HydrophobicContact CB-CB 3.46Å; C300-C345 VanDerWaalsContact CB-CB 3.46Å; C300-C345 WeakPolarHBondContact CB-SG 3.42Å; C300-C345 WeakPolarHBondContact SG-CA 3.28Å; C300-C345 WeakPolarHBondContact SG-CB 3.4Å; C300-C345 CovalentContact SG-SG 2.03Å; C300-C345 PolarHBondContact SG-SG 3.23Å
301	R	88.7	Confident	90.9	Very high	113 Å²	113	77.2 Å²	77.2	43%	0.426	43%	0.428	S	S	.	.	S	Bend	trans	-126.8	149.4	169.5	-50.2	161.6	165.3	-169.3	-11.8	109.9	W175 P299 N303 D304	W175-R301 VanDerWaalsContact CZ3-NH2 3.35Å; P299-R301 WeakPolarHBondContact CB-O 3.04Å; P299-R301 PolarHBondContact O-N 2.86Å; R301-N303 PolarHBondContact O-N 3.35Å; R301-D304 WeakPolarHBondContact CA-OD2 3.26Å; R301-D304 WeakPolarHBondContact CB-OD2 3.4Å; R301-D304 WeakPolarHBondContact CD-OD1 3.46Å; R301-D304 WeakPolarHBondContact CD-OD2 3.25Å; R301-D304 VanDerWaalsContact CG-OD2 3.29Å; R301-D304 WeakPolarHBondContact CG-OD2 3.44Å; R301-D304 PolarHBondContact N-OD2 3.25Å; R301-D304 PolarHBondContact O-N 3.46Å
302	K	82.8	Confident	91	Very high	211 Å²	211	75.7 Å²	75.7	92%	0.917	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-22.1	-175.7	-70.1	-175.7	177.9	179.5	0	115.5
303	N	84.1	Confident	91	Very high	156 Å²	156	75.8 Å²	75.8	83%	0.834	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.6	7.8	-176.1	-60.8	-15.6	0	0	0	112.5	R301	R301-N303 PolarHBondContact O-N 3.35Å
304	D	85.4	Confident	91.1	Very high	49 Å²	49	73.8 Å²	73.8	26%	0.262	40%	0.403	S	S	.	.			trans	-71.2	139.3	175.5	-65.1	-18	0	0	0	109.3	P299 R301 D306	P299-D304 HydrophobicContact CB-CB 4.28Å; R301-D304 WeakPolarHBondContact CA-OD2 3.26Å; R301-D304 WeakPolarHBondContact CB-OD2 3.4Å; R301-D304 WeakPolarHBondContact CD-OD1 3.46Å; R301-D304 WeakPolarHBondContact CD-OD2 3.25Å; R301-D304 VanDerWaalsContact CG-OD2 3.29Å; R301-D304 WeakPolarHBondContact CG-OD2 3.44Å; R301-D304 PolarHBondContact N-OD2 3.25Å; R301-D304 PolarHBondContact O-N 3.46Å; D304-D306 PolarHBondContact O-N 3.04Å
305	D	84.8	Confident	91.3	Very high	96 Å²	96	70.6 Å²	70.6	51%	0.513	39%	0.386	S	S	.	.			trans	-95.9	85.9	177.3	-175.2	5.9	0	0	0	109.8	S307	D305-S307 PolarHBondContact O-N 3.03Å; D305-S307 WeakPolarHBondContact OD1-CB 3.44Å; D305-S307 PolarHBondContact OD1-N 2.98Å; D305-S307 VanDerWaalsContact OD1-N 3.11Å; D305-S307 PolarHBondContact OD1-OG 3.02Å
306	D	89.6	Confident	91.7	Very high	27 Å²	27	65.2 Å²	65.2	14%	0.144	35%	0.352	C	S	.	.			trans	-84.7	16.1	177.4	-64.6	17.6	0	0	0	111.4	R297 P299 D304 S308 F309	R297-D306 IonicContact CZ-OD2 3.52Å; R297-D306 IonicContact NH1-OD2 2.72Å; R297-D306 PolarHBondContact NH1-OD2 3.11Å; R297-D306 IonicContact NH2-OD2 3.96Å; R297-D306 PolarHBondContact NH2-OD2 3.33Å; P299-D306 WeakPolarHBondContact CA-OD2 3.36Å; D304-D306 PolarHBondContact O-N 3.04Å; D306-S308 PolarHBondContact O-N 2.9Å; D306-F309 HydrophobicContact CB-CB 4.4Å; D306-F309 HydrophobicContact CB-CD2 3.86Å; D306-F309 HydrophobicContact CB-CE2 4.3Å; D306-F309 HydrophobicContact CB-CG 4.12Å; D306-F309 WeakPolarHBondContact O-CB 3.49Å; D306-F309 PolarHBondContact O-N 3.04Å
307	S	89.4	Confident	92	Very high	95 Å²	95	58.6 Å²	58.6	66%	0.664	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-23	-174.1	62.9	0	0	0	0	114	D305 F309	D305-S307 PolarHBondContact O-N 3.03Å; D305-S307 WeakPolarHBondContact OD1-CB 3.44Å; D305-S307 PolarHBondContact OD1-N 2.98Å; D305-S307 VanDerWaalsContact OD1-N 3.11Å; D305-S307 PolarHBondContact OD1-OG 3.02Å; S307-F309 VanDerWaalsContact C-N 3.31Å
308	S	91.8	Very high	92.5	Very high	26 Å²	26	57.7 Å²	57.7	18%	0.182	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-3.5	173.8	65.8	0	0	0	0	113.5	D306 T314	D306-S308 PolarHBondContact O-N 2.9Å; S308-T314 PolarHBondContact O-OG1 3.44Å; S308-T314 PolarHBondContact OG-OG1 2.88Å
309	F	95.4	Very high	92.9	Very high	29 Å²	29	54.5 Å²	54.5	13%	0.127	29%	0.292	C	S	.	.			trans	-88.3	118.1	-175.8	-67.3	11.2	0	0	0	109.9	D251 V253 D306 S307 T313 T314 W319	D251-F309 WeakPolarHBondContact OD1-CE2 3.34Å; V253-F309 HydrophobicContact CB-CD2 3.91Å; V253-F309 HydrophobicContact CB-CE1 4.47Å; V253-F309 HydrophobicContact CB-CE2 3.62Å; V253-F309 HydrophobicContact CB-CG 4.45Å; V253-F309 HydrophobicContact CB-CZ 3.94Å; V253-F309 HydrophobicContact CG1-CD2 4.47Å; V253-F309 HydrophobicContact CG1-CE1 4.2Å; V253-F309 HydrophobicContact CG1-CE2 3.74Å; V253-F309 HydrophobicContact CG1-CZ 3.59Å; V253-F309 HydrophobicContact CG2-CD1 4.07Å; V253-F309 HydrophobicContact CG2-CD2 3.88Å; V253-F309 HydrophobicContact CG2-CE1 4.18Å; V253-F309 HydrophobicContact CG2-CE2 3.99Å; V253-F309 HydrophobicContact CG2-CG 3.93Å; V253-F309 HydrophobicContact CG2-CZ 4.15Å; D306-F309 HydrophobicContact CB-CB 4.4Å; D306-F309 HydrophobicContact CB-CD2 3.86Å; D306-F309 HydrophobicContact CB-CE2 4.3Å; D306-F309 HydrophobicContact CB-CG 4.12Å; D306-F309 WeakPolarHBondContact O-CB 3.49Å; D306-F309 PolarHBondContact O-N 3.04Å; S307-F309 VanDerWaalsContact C-N 3.31Å; F309-T313 CarbonylContact C-O 3.57Å; F309-T313 WeakPolarHBondContact CA-O 3.43Å; F309-T314 HydrophobicContact CD1-CG2 3.93Å; F309-T314 HydrophobicContact CE1-CG2 3.69Å; F309-W319 HydrophobicContact CE1-CB 4.13Å; F309-W319 AromaticContact CE1-CD1 3.58Å; F309-W319 AromaticContact CE1-CD2 3.86Å; F309-W319 HydrophobicContact CE1-CD2 3.86Å; F309-W319 AromaticContact CE1-CG 3.61Å; F309-W319 HydrophobicContact CE1-CG 3.61Å; F309-W319 AromaticContact CE1-NE1 3.8Å; F309-W319 AromaticContact CZ-CD1 3.93Å; F309-W319 AromaticContact CZ-CD2 3.95Å; F309-W319 HydrophobicContact CZ-CD2 3.95Å; F309-W319 AromaticContact CZ-CE2 3.67Å; F309-W319 HydrophobicContact CZ-CG 4.13Å; F309-W319 HydrophobicContact CZ-CZ2 4.11Å; F309-W319 AromaticContact CZ-NE1 3.64Å
310	V	94.3	Very high	93.1	Very high	80 Å²	80	55.3 Å²	55.3	49%	0.485	29%	0.288	S	S	.	.	B	Isolated β-bridge	trans	-127.8	122.4	-178.1	-175.4	0	0	0	0	108.4	G312 T313	V310-G312 PolarHBondContact O-N 3.38Å; V310-T313 PolarHBondContact N-O 2.84Å; V310-T313 PolarHBondContact O-N 2.7Å; V310-T313 PolarHBondContact O-OG1 3.16Å
311	D	94.8	Very high	93.3	Very high	100 Å²	100	55.2 Å²	55.2	54%	0.535	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	37.6	-178.3	-54.6	-39.3	0	0	0	113.6	S286 T313	S286-D311 PolarHBondContact OG-O 3.04Å; D311-T313 PolarHBondContact O-N 2.87Å
312	G	96.8	Very high	93.7	Very high	8 Å²	8	50 Å²	50	8%	0.082	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.7	18.2	-177.3	0	0	0	0	0	114.1	A254 S286 M292 V310	A254-G312 PolarHBondContact N-O 3.08Å; S286-G312 WeakPolarHBondContact CB-O 3.42Å; M292-G312 WeakPolarHBondContact O-CA 3.48Å; V310-G312 PolarHBondContact O-N 3.38Å
313	T	98.5	Very high	94.4	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.018	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	158	178	72.3	0	0	0	0	111.8	A254 A282 R283 S286 F309 V310 D311	A254-T313 HydrophobicContact CB-CG2 4.38Å; A254-T313 CarbonylContact O-C 3.54Å; A254-T313 WeakPolarHBondContact O-CA 3.38Å; A282-T313 HydrophobicContact CB-CG2 3.73Å; R283-T313 HydrophobicContact CB-CG2 4.48Å; R283-T313 HydrophobicContact CG-CG2 3.76Å; S286-T313 WeakPolarHBondContact OG-CG2 3.18Å; F309-T313 CarbonylContact C-O 3.57Å; F309-T313 WeakPolarHBondContact CA-O 3.43Å; V310-T313 PolarHBondContact N-O 2.84Å; V310-T313 PolarHBondContact O-N 2.7Å; V310-T313 PolarHBondContact O-OG1 3.16Å; D311-T313 PolarHBondContact O-N 2.87Å
314	T	98.6	Very high	95	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.012	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	150.7	172.9	-159.6	0	0	0	0	112.2	V253 A254 N255 Y256 S308 F309 W319	V253-T314 HydrophobicContact CG1-CG2 4.26Å; V253-T314 HydrophobicContact CG2-CG2 3.74Å; A254-T314 PolarHBondContact O-N 3.17Å; N255-T314 CarbonylContact C-O 3.31Å; N255-T314 VanDerWaalsContact CA-O 3.3Å; N255-T314 WeakPolarHBondContact CA-O 3.36Å; N255-T314 HydrophobicContact CB-CG2 4.17Å; Y256-T314 WeakPolarHBondContact CD1-O 3.49Å; Y256-T314 WeakPolarHBondContact CE1-O 3.14Å; Y256-T314 PolarHBondContact N-O 2.89Å; S308-T314 PolarHBondContact O-OG1 3.44Å; S308-T314 PolarHBondContact OG-OG1 2.88Å; F309-T314 HydrophobicContact CD1-CG2 3.93Å; F309-T314 HydrophobicContact CE1-CG2 3.69Å; T314-W319 HydrophobicContact CG2-CB 3.89Å; T314-W319 HydrophobicContact CG2-CD2 4.42Å; T314-W319 HydrophobicContact CG2-CE3 4.17Å; T314-W319 HydrophobicContact CG2-CG 4.35Å
315	N	98.8	Very high	95.6	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	135.8	165.6	166.2	-100.6	0	0	0	108.5	Y256 P257 Y258 Y269 S270 G317 A318 W319	Y256-N315 HydrophobicContact CD2-CB 4.37Å; Y256-N315 HydrophobicContact CE2-CB 3.71Å; Y256-N315 WeakPolarHBondContact O-CA 3.49Å; P257-N315 VanDerWaalsContact C-ND2 3.32Å; P257-N315 PolarHBondContact O-ND2 3.25Å; Y258-N315 PolarHBondContact N-ND2 3.05Å; Y258-N315 PolarHBondContact O-ND2 3.12Å; Y269-N315 WeakPolarHBondContact CA-OD1 3.37Å; Y269-N315 HydrophobicContact CD2-CB 3.59Å; Y269-N315 HydrophobicContact CE2-CB 3.31Å; Y269-N315 HydrophobicContact CG-CB 4.37Å; S270-N315 PolarHBondContact N-OD1 2.96Å; S270-N315 PolarHBondContact O-ND2 3.08Å; S270-N315 VanDerWaalsContact O-ND2 3.09Å; N315-G317 PolarHBondContact O-N 3.06Å; N315-G317 PolarHBondContact OD1-N 3.26Å; N315-A318 HydrophobicContact CB-CB 4.04Å; N315-A318 WeakPolarHBondContact O-CB 3.47Å; N315-A318 PolarHBondContact O-N 3.48Å; N315-A318 VanDerWaalsContact O-N 3.11Å; N315-A318 PolarHBondContact OD1-N 2.87Å; N315-W319 PolarHBondContact O-N 2.92Å
316	G	98.5	Very high	96.3	Very high	2 Å²	2	28.6 Å²	28.6	2%	0.021	17%	0.168	C	C	.	.	H	α-helix	trans	-59.3	-49.6	-174.2	0	0	0	0	0	114.1	N255 Y256 D259 A318 W319 Y320	N255-G316 WeakPolarHBondContact OD1-CA 3.41Å; N255-G316 PolarHBondContact OD1-N 2.87Å; Y256-G316 PolarHBondContact O-N 2.85Å; D259-G316 WeakPolarHBondContact OD1-CA 3.22Å; G316-A318 PolarHBondContact O-N 3.34Å; G316-W319 PolarHBondContact O-N 3.19Å; G316-Y320 CarbonylContact O-C 3.57Å; G316-Y320 PolarHBondContact O-N 3.48Å
317	G	97.9	Very high	96.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-60.3	-33.7	176.4	0	0	0	0	0	113.2	Y258 D259 T261 H267 E268 N315	Y258-G317 PolarHBondContact O-N 2.9Å; D259-G317 WeakPolarHBondContact O-CA 3.42Å; D259-G317 PolarHBondContact O-N 3.02Å; T261-G317 WeakPolarHBondContact CG2-O 3.21Å; H267-G317 CarbonylContact C-O 3.58Å; H267-G317 WeakPolarHBondContact CA-O 3.49Å; E268-G317 CarbonylContact C-O 3.27Å; E268-G317 PolarHBondContact N-O 2.91Å; E268-G317 CarbonylContact O-C 3.19Å; E268-G317 WeakPolarHBondContact O-CA 3.37Å; E268-G317 VanDerWaalsContact O-O 3.12Å; N315-G317 PolarHBondContact O-N 3.06Å; N315-G317 PolarHBondContact OD1-N 3.26Å
318	A	98.1	Very high	97.2	Very high	20 Å²	20	22.8 Å²	22.8	17%	0.165	13%	0.13	C	C	.	.	H	α-helix	trans	-67.8	-37.9	175.2	0	0	0	0	0	112	E268 Y269 N315 G316	E268-A318 PolarHBondContact O-N 3.4Å; E268-A318 VanDerWaalsContact O-N 3.16Å; Y269-A318 HydrophobicContact CD2-CB 3.93Å; N315-A318 HydrophobicContact CB-CB 4.04Å; N315-A318 WeakPolarHBondContact O-CB 3.47Å; N315-A318 PolarHBondContact O-N 3.48Å; N315-A318 VanDerWaalsContact O-N 3.11Å; N315-A318 PolarHBondContact OD1-N 2.87Å; G316-A318 PolarHBondContact O-N 3.34Å
319	W	97.6	Very high	97.5	Very high	35 Å²	35	21.6 Å²	21.6	13%	0.133	12%	0.122	C	C	.	.	H	α-helix	trans	-73.4	-60.3	176.8	179.5	26.7	0	0	0	112.1	D251 V253 H267 F309 T314 N315 G316 E342	D251-W319 HydrophobicContact CB-CH2 3.94Å; D251-W319 HydrophobicContact CB-CZ2 3.88Å; D251-W319 WeakPolarHBondContact OD2-CZ2 3.46Å; V253-W319 HydrophobicContact CG1-CH2 4.41Å; V253-W319 HydrophobicContact CG1-CZ3 4.22Å; H267-W319 PolarHBondContact CE1-O 3.14Å; H267-W319 PolarHBondContact ND1-O 2.98Å; F309-W319 HydrophobicContact CE1-CB 4.13Å; F309-W319 AromaticContact CE1-CD1 3.58Å; F309-W319 AromaticContact CE1-CD2 3.86Å; F309-W319 HydrophobicContact CE1-CD2 3.86Å; F309-W319 AromaticContact CE1-CG 3.61Å; F309-W319 HydrophobicContact CE1-CG 3.61Å; F309-W319 AromaticContact CE1-NE1 3.8Å; F309-W319 AromaticContact CZ-CD1 3.93Å; F309-W319 AromaticContact CZ-CD2 3.95Å; F309-W319 HydrophobicContact CZ-CD2 3.95Å; F309-W319 AromaticContact CZ-CE2 3.67Å; F309-W319 HydrophobicContact CZ-CG 4.13Å; F309-W319 HydrophobicContact CZ-CZ2 4.11Å; F309-W319 AromaticContact CZ-NE1 3.64Å; T314-W319 HydrophobicContact CG2-CB 3.89Å; T314-W319 HydrophobicContact CG2-CD2 4.42Å; T314-W319 HydrophobicContact CG2-CE3 4.17Å; T314-W319 HydrophobicContact CG2-CG 4.35Å; N315-W319 PolarHBondContact O-N 2.92Å; G316-W319 PolarHBondContact O-N 3.19Å; W319-E342 HydrophobicContact CH2-CG 3.85Å; W319-E342 HydrophobicContact CZ3-CG 4Å
320	Y	96.1	Very high	97.7	Very high	78 Å²	78	20.2 Å²	20.2	31%	0.306	12%	0.116	S	C	.	.			trans	-166.7	141.5	165.7	66.1	-80.1	0	0	0	110.8	A266 G316 V322	A266-Y320 CarbonylContact O-C 3.6Å; A266-Y320 VanDerWaalsContact O-CA 3.29Å; A266-Y320 WeakPolarHBondContact O-CA 3.47Å; G316-Y320 CarbonylContact O-C 3.57Å; G316-Y320 PolarHBondContact O-N 3.48Å; Y320-V322 HydrophobicContact CD2-CG2 3.56Å; Y320-V322 HydrophobicContact CE2-CG2 3.15Å; Y320-V322 PolarHBondContact O-N 3.48Å
321	S	97.6	Very high	97.9	Very high	29 Å²	29	16.4 Å²	16.4	20%	0.203	9%	0.092	C	C	.	.			trans	-62.1	126	-176.7	-164	0	0	0	0	113.3	D259 T261 S265 A266	D259-S321 WeakPolarHBondContact O-CA 3.49Å; T261-S321 PolarHBondContact N-OG 3.27Å; T261-S321 WeakPolarHBondContact OG1-CB 3.19Å; T261-S321 PolarHBondContact OG1-OG 2.82Å; S265-S321 WeakPolarHBondContact O-CB 3.19Å; A266-S321 PolarHBondContact O-N 3.49Å
322	V	97.5	Very high	98.1	Very high	4 Å²	4	11.7 Å²	11.7	2%	0.024	7%	0.067	C	C	.	.			trans	-129	97.1	179.8	169.6	0	0	0	0	111.4	D259 Y320	D259-V322 HydrophobicContact CB-CB 3.98Å; D259-V322 HydrophobicContact CB-CG1 4.39Å; D259-V322 PolarHBondContact O-N 2.86Å; Y320-V322 HydrophobicContact CD2-CG2 3.56Å; Y320-V322 HydrophobicContact CE2-CG2 3.15Å; Y320-V322 PolarHBondContact O-N 3.48Å
323	P	97.2	Very high	98.1	Very high	53 Å²	53	11.6 Å²	11.6	34%	0.344	7%	0.065	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	146.3	172.4	29.8	-33.5	0	0	0	112.2	R189 E260 G325	R189-P323 WeakPolarHBondContact CD-O 3.25Å; E260-P323 HydrophobicContact CG-CB 3.98Å; P323-G325 VanDerWaalsContact C-N 3.32Å; P323-G325 PolarHBondContact O-N 3.4Å
324	G	96.8	Very high	98	Very high	5 Å²	5	12 Å²	12	5%	0.052	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	28.2	174.4	0	0	0	0	0	114.2	N188 R189 N190 F191	N188-G324 CarbonylContact C-O 3.56Å; R189-G324 CarbonylContact C-O 3.6Å; R189-G324 VanDerWaalsContact C-O 3.29Å; R189-G324 WeakPolarHBondContact CA-O 3.21Å; N190-G324 PolarHBondContact N-O 2.9Å; F191-G324 PolarHBondContact N-O 3.26Å; F191-G324 WeakPolarHBondContact O-CA 3.06Å
325	G	98.3	Very high	98	Very high	3 Å²	3	12.9 Å²	12.9	3%	0.031	7%	0.073	C	C	.	.			trans	-76	156.6	174	0	0	0	0	0	113.1	N188 P323 F329	N188-G325 WeakPolarHBondContact O-CA 3.49Å; N188-G325 VanDerWaalsContact OD1-CA 3.26Å; N188-G325 WeakPolarHBondContact OD1-CA 3.46Å; P323-G325 VanDerWaalsContact C-N 3.32Å; P323-G325 PolarHBondContact O-N 3.4Å; G325-F329 WeakPolarHBondContact O-CB 3.38Å; G325-F329 PolarHBondContact O-N 2.94Å
326	M	98.8	Very high	98	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-71.5	-32.5	177.4	-172.4	168.6	68.3	0	0	112.5	I110 M113 L157 N188 F191 V232 N246 F329 N330 E338	I110-M326 HydrophobicContact CB-CE 4.22Å; I110-M326 HydrophobicContact CD1-CE 3.73Å; I110-M326 HydrophobicContact CD1-SD 3.92Å; I110-M326 HydrophobicContact CG2-CE 4.1Å; M113-M326 HydrophobicContact CE-CB 4.04Å; M113-M326 HydrophobicContact CE-CE 4.22Å; M113-M326 HydrophobicContact CE-SD 4.33Å; M113-M326 HydrophobicContact SD-CE 4.08Å; L157-M326 HydrophobicContact CD2-SD 4.05Å; N188-M326 PolarHBondContact OD1-N 2.95Å; F191-M326 HydrophobicContact CD2-CB 3.85Å; F191-M326 HydrophobicContact CD2-CG 4.39Å; F191-M326 HydrophobicContact CE1-CB 4.35Å; F191-M326 HydrophobicContact CE1-CG 3.86Å; F191-M326 HydrophobicContact CE1-SD 4.4Å; F191-M326 HydrophobicContact CE2-CB 3.54Å; F191-M326 HydrophobicContact CE2-CG 3.77Å; F191-M326 HydrophobicContact CE2-SD 4.02Å; F191-M326 HydrophobicContact CG-CB 4.41Å; F191-M326 HydrophobicContact CZ-CB 3.81Å; F191-M326 HydrophobicContact CZ-CG 3.46Å; F191-M326 VanDerWaalsContact CZ-CG 3.46Å; F191-M326 HydrophobicContact CZ-SD 3.58Å; F191-M326 VanDerWaalsContact CZ-SD 3.58Å; V232-M326 HydrophobicContact CG1-SD 3.86Å; N246-M326 HydrophobicContact CB-CE 3.35Å; M326-F329 PolarHBondContact O-N 3.43Å; M326-N330 PolarHBondContact O-N 3.04Å; M326-N330 PolarHBondContact O-ND2 3.28Å; M326-E338 WeakPolarHBondContact CE-OE1 3.49Å
327	Q	98.8	Very high	98.1	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-59.5	-58	-176.7	-173	-169.1	-95.4	0	0	111.5	N255 P257 D259 F329 N330 E338 T340	N255-Q327 PolarHBondContact ND2-NE2 2.92Å; N255-Q327 PolarHBondContact ND2-OE1 3.49Å; N255-Q327 PolarHBondContact O-OE1 3.22Å; N255-Q327 VanDerWaalsContact O-OE1 3.14Å; P257-Q327 HydrophobicContact CG-CG 3.88Å; D259-Q327 PolarHBondContact OD1-NE2 3.45Å; D259-Q327 PolarHBondContact OD2-NE2 3.11Å; Q327-F329 VanDerWaalsContact C-N 3.3Å; Q327-F329 PolarHBondContact O-N 2.03Å; Q327-N330 WeakPolarHBondContact O-CB 3.24Å; Q327-N330 PolarHBondContact O-N 3.34Å; Q327-E338 HydrophobicContact CG-CB 4.48Å; Q327-E338 WeakPolarHBondContact CG-O 3.2Å; Q327-T340 PolarHBondContact OE1-OG1 3.29Å
328	D	98.8	Very high	98.1	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.005	7%	0.072	C	C	.	.	H	α-helix	trans	-70	-31.6	-178.7	-65.4	-1.4	0	0	0	111.3	D195 P257 Y258 D259 E260 N330 Y331 L332	D195-D328 WeakPolarHBondContact OD1-CB 3.3Å; P257-D328 WeakPolarHBondContact CB-OD1 3.13Å; Y258-D328 HydrophobicContact CD1-CB 4.26Å; D259-D328 WeakPolarHBondContact CA-OD2 3.4Å; D259-D328 VanDerWaalsContact CB-OD2 3.28Å; D259-D328 WeakPolarHBondContact CB-OD2 3.36Å; D259-D328 PolarHBondContact N-OD1 3.07Å; D259-D328 PolarHBondContact N-OD2 3.37Å; E260-D328 PolarHBondContact N-OD2 3.18Å; D328-N330 VanDerWaalsContact C-N 3.33Å; D328-N330 PolarHBondContact O-N 3.47Å; D328-Y331 PolarHBondContact O-N 2.94Å; D328-L332 WeakPolarHBondContact O-CB 3.43Å; D328-L332 WeakPolarHBondContact O-CG 3.48Å; D328-L332 PolarHBondContact O-N 3.41Å
329	F	98.6	Very high	98.1	Very high	1 Å²	1	11.9 Å²	11.9	0%	0.004	6%	0.064	C	C	.	.	H	α-helix	trans	-58.3	-42.9	172.4	178.8	-91.7	0	0	0	112.2	F191 P192 L194 M215 I233 I236 G325 M326 Q327 Y331 L332 S333	F191-F329 HydrophobicContact CB-CB 3.96Å; F191-F329 HydrophobicContact CB-CD2 4.22Å; F191-F329 HydrophobicContact CB-CG 4.11Å; F191-F329 HydrophobicContact CD1-CB 3.96Å; F191-F329 AromaticContact CD1-CD1 3.56Å; F191-F329 HydrophobicContact CD1-CD1 3.56Å; F191-F329 HydrophobicContact CD1-CD2 4.15Å; F191-F329 HydrophobicContact CD1-CE1 4.09Å; F191-F329 AromaticContact CD1-CG 3.59Å; F191-F329 HydrophobicContact CD1-CG 3.59Å; F191-F329 HydrophobicContact CE1-CD1 4.02Å; F191-F329 HydrophobicContact CE1-CE1 4.41Å; F191-F329 HydrophobicContact CE1-CG 4.48Å; F191-F329 HydrophobicContact CG-CB 4.2Å; F191-F329 HydrophobicContact CG-CG 4.24Å; P192-F329 HydrophobicContact CB-CD2 4.39Å; P192-F329 HydrophobicContact CB-CE2 4.27Å; P192-F329 HydrophobicContact CG-CD2 4.36Å; P192-F329 HydrophobicContact CG-CE2 3.93Å; L194-F329 HydrophobicContact CD1-CD2 3.96Å; L194-F329 HydrophobicContact CD1-CE2 4.23Å; L194-F329 HydrophobicContact CG-CD2 4.34Å; M215-F329 HydrophobicContact CE-CE2 3.61Å; M215-F329 HydrophobicContact CE-CZ 3.65Å; M215-F329 HydrophobicContact SD-CE2 4.15Å; M215-F329 HydrophobicContact SD-CZ 4.27Å; I233-F329 HydrophobicContact CB-CE1 4.31Å; I233-F329 HydrophobicContact CB-CZ 4.22Å; I233-F329 HydrophobicContact CD1-CE2 4.44Å; I233-F329 HydrophobicContact CD1-CZ 4.09Å; I233-F329 HydrophobicContact CG1-CE1 3.72Å; I233-F329 HydrophobicContact CG1-CE2 4.45Å; I233-F329 HydrophobicContact CG1-CZ 3.67Å; I233-F329 HydrophobicContact CG2-CE1 4.11Å; I233-F329 HydrophobicContact CG2-CZ 3.66Å; I236-F329 HydrophobicContact CD1-CD1 4.06Å; I236-F329 HydrophobicContact CD1-CE1 4.05Å; G325-F329 WeakPolarHBondContact O-CB 3.38Å; G325-F329 PolarHBondContact O-N 2.94Å; M326-F329 PolarHBondContact O-N 3.43Å; Q327-F329 VanDerWaalsContact C-N 3.3Å; Q327-F329 PolarHBondContact O-N 2.03Å; F329-Y331 PolarHBondContact O-N 3.25Å; F329-L332 PolarHBondContact O-N 3.1Å; F329-S333 WeakPolarHBondContact CD1-OG 3.36Å; F329-S333 WeakPolarHBondContact CE1-OG 3.36Å; F329-S333 WeakPolarHBondContact CZ-OG 3.42Å; F329-S333 WeakPolarHBondContact O-CB 3.39Å; F329-S333 PolarHBondContact O-N 3.5Å; F329-S333 PolarHBondContact O-OG 3.45Å
330	N	98.8	Very high	98.2	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-57	-51.9	177.1	-88.3	-90.4	0	0	0	111	K108 M326 Q327 D328 L332 S334 C336 E338	K108-N330 WeakPolarHBondContact CE-OD1 3.25Å; K108-N330 PolarHBondContact NZ-OD1 3.03Å; M326-N330 PolarHBondContact O-N 3.04Å; M326-N330 PolarHBondContact O-ND2 3.28Å; Q327-N330 WeakPolarHBondContact O-CB 3.24Å; Q327-N330 PolarHBondContact O-N 3.34Å; D328-N330 VanDerWaalsContact C-N 3.33Å; D328-N330 PolarHBondContact O-N 3.47Å; N330-L332 PolarHBondContact O-N 2.89Å; N330-S334 PolarHBondContact O-N 2.73Å; N330-S334 VanDerWaalsContact O-N 3.1Å; N330-S334 PolarHBondContact O-OG 2.71Å; N330-C336 CarbonylContact C-O 3.58Å; N330-C336 VanDerWaalsContact C-O 3.27Å; N330-C336 HydrophobicContact CB-CB 4.28Å; N330-E338 HydrophobicContact CB-CB 3.74Å; N330-E338 PolarHBondContact ND2-OE1 2.78Å; N330-E338 PolarHBondContact ND2-OE2 3.1Å
331	Y	98.8	Very high	98.3	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-65.4	-40.5	-176.8	-176.5	-115.3	0	0	0	112.1	Y258 D274 F278 D328 F329 C336 F337 H400	Y258-Y331 AromaticContact CE1-CD1 3.73Å; Y258-Y331 HydrophobicContact CE1-CD1 3.73Å; Y258-Y331 HydrophobicContact CE1-CE1 4.06Å; Y258-Y331 AromaticContact CZ-CE1 3.9Å; Y258-Y331 WeakPolarHBondContact OH-CE1 3.25Å; D274-Y331 HydrophobicContact CB-CE2 4.15Å; D274-Y331 VanDerWaalsContact CB-OH 3.3Å; D274-Y331 WeakPolarHBondContact CB-OH 3.45Å; D274-Y331 PolarHBondContact N-OH 3.39Å; D274-Y331 PolarHBondContact OD2-OH 3.45Å; F278-Y331 HydrophobicContact CE2-CD1 4.45Å; F278-Y331 AromaticContact CE2-CD2 3.75Å; F278-Y331 HydrophobicContact CE2-CD2 3.75Å; F278-Y331 HydrophobicContact CE2-CE1 4.35Å; F278-Y331 AromaticContact CE2-CE2 3.63Å; F278-Y331 HydrophobicContact CE2-CE2 3.63Å; F278-Y331 HydrophobicContact CE2-CG 4.17Å; F278-Y331 AromaticContact CE2-CZ 3.96Å; F278-Y331 AromaticContact CZ-CD2 3.62Å; F278-Y331 HydrophobicContact CZ-CD2 3.62Å; F278-Y331 AromaticContact CZ-CE2 3.96Å; F278-Y331 HydrophobicContact CZ-CE2 3.96Å; F278-Y331 HydrophobicContact CZ-CG 4.02Å; D328-Y331 PolarHBondContact O-N 2.94Å; F329-Y331 PolarHBondContact O-N 3.25Å; Y331-C336 WeakPolarHBondContact CA-O 3.28Å; Y331-C336 PolarHBondContact N-O 3.31Å; Y331-F337 HydrophobicContact CD2-CD1 4.17Å; Y331-F337 HydrophobicContact CD2-CD2 4.46Å; Y331-F337 HydrophobicContact CD2-CE1 4.11Å; Y331-F337 HydrophobicContact CD2-CE2 4.44Å; Y331-F337 HydrophobicContact CD2-CG 4.33Å; Y331-F337 HydrophobicContact CD2-CZ 4.26Å; Y331-F337 HydrophobicContact CE2-CD1 4.36Å; Y331-F337 HydrophobicContact CE2-CD2 4.29Å; Y331-F337 AromaticContact CE2-CE1 3.91Å; Y331-F337 HydrophobicContact CE2-CE1 3.91Å; Y331-F337 AromaticContact CE2-CE2 3.86Å; Y331-F337 HydrophobicContact CE2-CE2 3.86Å; Y331-F337 AromaticContact CE2-CZ 3.64Å; Y331-F337 HydrophobicContact CE2-CZ 3.64Å; Y331-H400 AromaticContact CD2-CE1 3.96Å; Y331-H400 AromaticContact CD2-NE2 3.59Å; Y331-H400 AromaticContact CE1-ND1 3.92Å; Y331-H400 AromaticContact CE2-CD2 3.21Å; Y331-H400 WeakPolarHBondContact CE2-CD2 3.42Å; Y331-H400 AromaticContact CE2-CE1 3.72Å; Y331-H400 AromaticContact CE2-CG 3.79Å; Y331-H400 AromaticContact CE2-NE2 3.21Å; Y331-H400 WeakPolarHBondContact CE2-NE2 3.4Å; Y331-H400 AromaticContact CZ-CD2 3.36Å; Y331-H400 AromaticContact CZ-CE1 3.78Å; Y331-H400 AromaticContact CZ-CG 3.41Å; Y331-H400 VanDerWaalsContact CZ-CG 3.41Å; Y331-H400 AromaticContact CZ-ND1 3.67Å; Y331-H400 AromaticContact CZ-NE2 3.65Å; Y331-H400 PolarHBondContact O-CE1 3.02Å; Y331-H400 VanDerWaalsContact OH-CB 3.24Å; Y331-H400 WeakPolarHBondContact OH-CB 3.4Å; Y331-H400 PolarHBondContact OH-CD2 3.37Å
332	L	98.5	Very high	98.4	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-86.2	-20.7	-174.6	-65.1	177.3	0	0	0	114.3	L194 V198 H210 L211 Y258 D328 F329 N330	L194-L332 HydrophobicContact CB-CB 3.66Å; L194-L332 HydrophobicContact CB-CD1 3.62Å; L194-L332 HydrophobicContact CB-CG 4.29Å; L194-L332 HydrophobicContact CD1-CB 3.76Å; L194-L332 HydrophobicContact CG-CB 4.34Å; V198-L332 HydrophobicContact CB-CD1 4.38Å; V198-L332 HydrophobicContact CB-CD2 3.87Å; V198-L332 HydrophobicContact CG1-CD1 4.08Å; V198-L332 HydrophobicContact CG1-CD2 3.96Å; V198-L332 HydrophobicContact CG2-CD2 3.8Å; H210-L332 PolarHBondContact N-O 2.92Å; H210-L332 VanDerWaalsContact N-O 3.16Å; L211-L332 HydrophobicContact CD1-CB 4.17Å; L211-L332 HydrophobicContact CD1-CD2 4.16Å; L211-L332 PolarHBondContact N-O 3.36Å; Y258-L332 HydrophobicContact CE1-CD1 3.96Å; Y258-L332 HydrophobicContact CE1-CD2 3.91Å; Y258-L332 HydrophobicContact CE1-CG 4.01Å; Y258-L332 WeakPolarHBondContact OH-CD2 3.32Å; D328-L332 WeakPolarHBondContact O-CB 3.43Å; D328-L332 WeakPolarHBondContact O-CG 3.48Å; D328-L332 PolarHBondContact O-N 3.41Å; F329-L332 PolarHBondContact O-N 3.1Å; N330-L332 PolarHBondContact O-N 2.89Å
333	S	97.2	Very high	98.5	Very high	7 Å²	7	5.7 Å²	5.7	5%	0.049	4%	0.036	C	C	.	.	H	α-helix	trans	-104.6	-16.1	-177.8	74	0	0	0	0	115	H210 F329	H210-S333 PolarHBondContact CD2-O 3Å; F329-S333 WeakPolarHBondContact CD1-OG 3.36Å; F329-S333 WeakPolarHBondContact CE1-OG 3.36Å; F329-S333 WeakPolarHBondContact CZ-OG 3.42Å; F329-S333 WeakPolarHBondContact O-CB 3.39Å; F329-S333 PolarHBondContact O-N 3.5Å; F329-S333 PolarHBondContact O-OG 3.45Å
334	S	97.6	Very high	98.4	Very high	11 Å²	11	3.2 Å²	3.2	8%	0.077	2%	0.02	C	C	.	.	S	Bend	trans	-143.7	-173.5	-173	78.1	0	0	0	0	111.6	H210 N330 C336	H210-S334 WeakPolarHBondContact NE2-CA 3.38Å; N330-S334 PolarHBondContact O-N 2.73Å; N330-S334 VanDerWaalsContact O-N 3.1Å; N330-S334 PolarHBondContact O-OG 2.71Å; S334-C336 VanDerWaalsContact C-N 3.27Å; S334-C336 VanDerWaalsContact OG-CB 3.31Å; S334-C336 WeakPolarHBondContact OG-CB 3.49Å; S334-C336 PolarHBondContact OG-N 2.91Å
335	N	98.6	Very high	98.4	Very high	20 Å²	20	5.3 Å²	5.3	11%	0.107	3%	0.034	C	C	.	.	S	Bend	trans	-80.2	-5.7	169.6	-70.6	-35.3	0	0	0	113.5	H210 F241 F337 V402 T403	H210-N335 PolarHBondContact CE1-OD1 2.89Å; H210-N335 VanDerWaalsContact CE1-OD1 3.23Å; F241-N335 CarbonylContact O-C 3.42Å; N335-F337 WeakPolarHBondContact O-CD1 3.24Å; N335-V402 VanDerWaalsContact OD1-CA 3.31Å; N335-V402 WeakPolarHBondContact OD1-CA 3.45Å; N335-V402 WeakPolarHBondContact OD1-CB 3.44Å; N335-T403 PolarHBondContact ND2-O 3.43Å; N335-T403 PolarHBondContact ND2-OG1 3.22Å; N335-T403 PolarHBondContact OD1-N 2.86Å; N335-T403 PolarHBondContact OD1-OG1 3.48Å
336	C	98.9	Very high	98.2	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.048	C	C	.	.			trans	-82.1	126.9	-166.5	-172.2	0	0	0	0	112.6	K108 F241 S244 N330 Y331 S334	K108-C336 PolarHBondContact NZ-SG 2.8Å; F241-C336 HydrophobicContact CB-CB 3.81Å; F241-C336 VanDerWaalsContact O-CA 3.28Å; F241-C336 WeakPolarHBondContact O-CA 3.42Å; F241-C336 WeakPolarHBondContact O-CB 3.38Å; F241-C336 PolarHBondContact O-N 2.94Å; S244-C336 WeakPolarHBondContact CB-SG 3.48Å; N330-C336 CarbonylContact C-O 3.58Å; N330-C336 VanDerWaalsContact C-O 3.27Å; N330-C336 HydrophobicContact CB-CB 4.28Å; Y331-C336 WeakPolarHBondContact CA-O 3.28Å; Y331-C336 PolarHBondContact N-O 3.31Å; S334-C336 VanDerWaalsContact C-N 3.27Å; S334-C336 VanDerWaalsContact OG-CB 3.31Å; S334-C336 WeakPolarHBondContact OG-CB 3.49Å; S334-C336 PolarHBondContact OG-N 2.91Å
337	F	98.9	Very high	98.1	Very high	2 Å²	2	9.2 Å²	9.2	1%	0.009	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	114.2	172.6	-74.1	49.4	0	0	0	107.3	V242 L243 S244 D274 I277 F278 L281 Y331 N335 L413	V242-F337 PolarHBondContact O-N 3.18Å; L243-F337 CarbonylContact C-O 3.46Å; L243-F337 WeakPolarHBondContact CA-O 3.26Å; L243-F337 HydrophobicContact CD1-CB 4.28Å; S244-F337 PolarHBondContact N-O 3.42Å; D274-F337 HydrophobicContact CB-CE2 3.64Å; D274-F337 HydrophobicContact CB-CZ 4.2Å; I277-F337 HydrophobicContact CG2-CD2 4.31Å; I277-F337 HydrophobicContact CG2-CE2 3.83Å; F278-F337 HydrophobicContact CD2-CD2 4.5Å; F278-F337 HydrophobicContact CE1-CB 3.89Å; F278-F337 AromaticContact CE1-CD2 3.94Å; F278-F337 HydrophobicContact CE1-CD2 3.94Å; F278-F337 HydrophobicContact CE1-CG 4.26Å; F278-F337 AromaticContact CE2-CD2 3.9Å; F278-F337 HydrophobicContact CE2-CD2 3.9Å; F278-F337 HydrophobicContact CE2-CE2 4.22Å; F278-F337 HydrophobicContact CZ-CB 4Å; F278-F337 AromaticContact CZ-CD2 3.58Å; F278-F337 HydrophobicContact CZ-CD2 3.58Å; F278-F337 HydrophobicContact CZ-CE2 4.31Å; F278-F337 AromaticContact CZ-CG 3.94Å; F278-F337 HydrophobicContact CZ-CG 3.94Å; L281-F337 HydrophobicContact CD1-CB 4.4Å; L281-F337 HydrophobicContact CD1-CD2 4.47Å; Y331-F337 HydrophobicContact CD2-CD1 4.17Å; Y331-F337 HydrophobicContact CD2-CD2 4.46Å; Y331-F337 HydrophobicContact CD2-CE1 4.11Å; Y331-F337 HydrophobicContact CD2-CE2 4.44Å; Y331-F337 HydrophobicContact CD2-CG 4.33Å; Y331-F337 HydrophobicContact CD2-CZ 4.26Å; Y331-F337 HydrophobicContact CE2-CD1 4.36Å; Y331-F337 HydrophobicContact CE2-CD2 4.29Å; Y331-F337 AromaticContact CE2-CE1 3.91Å; Y331-F337 HydrophobicContact CE2-CE1 3.91Å; Y331-F337 AromaticContact CE2-CE2 3.86Å; Y331-F337 HydrophobicContact CE2-CE2 3.86Å; Y331-F337 AromaticContact CE2-CZ 3.64Å; Y331-F337 HydrophobicContact CE2-CZ 3.64Å; N335-F337 WeakPolarHBondContact O-CD1 3.24Å; F337-L413 HydrophobicContact CB-CD1 4.03Å; F337-L413 HydrophobicContact CD2-CD1 4.32Å; F337-L413 HydrophobicContact CG-CD1 4.06Å
338	E	98.9	Very high	98	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	138.2	178.2	-170.2	166.7	102.8	0	0	111.2	S244 N246 M326 Q327 N330	S244-E338 WeakPolarHBondContact CB-OE2 3.31Å; S244-E338 VanDerWaalsContact O-CA 3.28Å; S244-E338 WeakPolarHBondContact O-CA 3.46Å; S244-E338 PolarHBondContact OG-OE2 3.27Å; N246-E338 PolarHBondContact ND2-OE1 3.38Å; M326-E338 WeakPolarHBondContact CE-OE1 3.49Å; Q327-E338 HydrophobicContact CG-CB 4.48Å; Q327-E338 WeakPolarHBondContact CG-O 3.2Å; N330-E338 HydrophobicContact CB-CB 3.74Å; N330-E338 PolarHBondContact ND2-OE1 2.78Å; N330-E338 PolarHBondContact ND2-OE2 3.1Å
339	I	98.9	Very high	97.9	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	161.2	164.2	74.6	169.5	0	0	0	110.3	S244 A245 N246 A254 N255 F278 L281 V341 Y368	S244-I339 PolarHBondContact O-N 3.2Å; A245-I339 CarbonylContact C-O 3.57Å; A245-I339 VanDerWaalsContact CA-O 3.25Å; A245-I339 WeakPolarHBondContact CA-O 3.22Å; A245-I339 HydrophobicContact CB-CG1 3.86Å; N246-I339 PolarHBondContact N-O 3.46Å; N246-I339 PolarHBondContact ND2-O 3.02Å; A254-I339 HydrophobicContact CB-CD1 4.5Å; N255-I339 WeakPolarHBondContact O-CB 3.48Å; F278-I339 HydrophobicContact CD1-CG2 4Å; F278-I339 HydrophobicContact CE1-CG2 4.42Å; L281-I339 HydrophobicContact CB-CG2 4.48Å; I339-V341 HydrophobicContact CD1-CG2 3.8Å; I339-V341 HydrophobicContact CG1-CG2 3.97Å; I339-Y368 HydrophobicContact CD1-CD2 3.96Å; I339-Y368 HydrophobicContact CD1-CE2 3.28Å; I339-Y368 HydrophobicContact CG1-CE2 3.78Å; I339-Y368 WeakPolarHBondContact CG1-OH 3.44Å
340	T	98.9	Very high	97.8	Very high	6 Å²	6	12.1 Å²	12.1	4%	0.037	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	130.4	172.8	-60	0	0	0	0	108.8	N246 H248 N255 Q327	N246-T340 PolarHBondContact ND2-OG1 2.7Å; N246-T340 CarbonylContact O-C 3.47Å; N246-T340 WeakPolarHBondContact O-CA 3.41Å; N246-T340 WeakPolarHBondContact OD1-CG2 3.47Å; N246-T340 PolarHBondContact OD1-OG1 3.15Å; H248-T340 HydrophobicContact CB-CG2 4.44Å; N255-T340 WeakPolarHBondContact CA-O 3.02Å; N255-T340 HydrophobicContact CB-CG2 4.47Å; N255-T340 WeakPolarHBondContact CB-O 3.48Å; N255-T340 PolarHBondContact N-O 2.97Å; N255-T340 PolarHBondContact O-N 3.14Å; N255-T340 VanDerWaalsContact O-O 3.1Å; Q327-T340 PolarHBondContact OE1-OG1 3.29Å
341	V	98.9	Very high	97.6	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	113.6	-179.3	-173.8	0	0	0	0	110	A245 N246 L247 H248 Y285 M292 I339 L343	A245-V341 HydrophobicContact CB-CG2 4.29Å; N246-V341 PolarHBondContact O-N 3.12Å; L247-V341 HydrophobicContact CD2-CB 3.8Å; L247-V341 HydrophobicContact CD2-CG2 4.15Å; H248-V341 PolarHBondContact N-O 3.12Å; Y285-V341 HydrophobicContact CD1-CG1 3.69Å; Y285-V341 HydrophobicContact CD2-CG1 4.45Å; Y285-V341 HydrophobicContact CD2-CG2 4.16Å; Y285-V341 HydrophobicContact CE1-CG1 3.43Å; Y285-V341 VanDerWaalsContact CE1-CG1 3.43Å; Y285-V341 HydrophobicContact CE2-CG1 4.21Å; Y285-V341 HydrophobicContact CE2-CG2 4.38Å; Y285-V341 HydrophobicContact CG-CG1 4.22Å; Y285-V341 HydrophobicContact CG-CG2 4.25Å; M292-V341 HydrophobicContact CE-CG1 4.01Å; I339-V341 HydrophobicContact CD1-CG2 3.8Å; I339-V341 HydrophobicContact CG1-CG2 3.97Å; V341-L343 HydrophobicContact CB-CD2 4.5Å; V341-L343 HydrophobicContact CG1-CD2 3.63Å; V341-L343 HydrophobicContact CG1-CG 4.26Å
342	E	98.8	Very high	97.4	Very high	11 Å²	11	23.4 Å²	23.4	5%	0.051	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	113.4	172.7	-66.2	-72.4	174.7	0	0	109	H248 G249 G250 D251 L252 V253 M292 W319	H248-E342 HydrophobicContact CB-CG 4.34Å; H248-E342 WeakPolarHBondContact CB-OE1 3.47Å; H248-E342 VanDerWaalsContact CB-OE2 3.29Å; H248-E342 WeakPolarHBondContact CB-OE2 3.47Å; H248-E342 IonicContact CG-OE1 3.16Å; G249-E342 VanDerWaalsContact CA-OE2 3.24Å; G249-E342 WeakPolarHBondContact CA-OE2 3.38Å; G249-E342 PolarHBondContact N-OE2 2.89Å; G249-E342 VanDerWaalsContact N-OE2 3.16Å; G250-E342 PolarHBondContact N-OE2 3.26Å; D251-E342 HydrophobicContact CB-CB 4.09Å; D251-E342 HydrophobicContact CB-CG 4.23Å; D251-E342 CarbonylContact O-C 3.29Å; L252-E342 WeakPolarHBondContact CA-O 3.47Å; V253-E342 HydrophobicContact CG1-CB 4.03Å; V253-E342 HydrophobicContact CG1-CG 4.06Å; V253-E342 PolarHBondContact N-O 3.07Å; V253-E342 WeakPolarHBondContact O-CB 3.39Å; V253-E342 PolarHBondContact O-N 2.81Å; M292-E342 VanDerWaalsContact CE-O 3.23Å; M292-E342 WeakPolarHBondContact CE-O 3.39Å; W319-E342 HydrophobicContact CH2-CG 3.85Å; W319-E342 HydrophobicContact CZ3-CG 4Å
343	L	98.5	Very high	97.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-18.6	-166.4	-63.5	167.3	0	0	0	114.2	V119 G120 L123 L247 H248 L252 Y285 V341 Y357 N361	V119-L343 HydrophobicContact CB-CB 4.48Å; V119-L343 HydrophobicContact CG1-CB 4.08Å; V119-L343 HydrophobicContact CG1-CD1 4.28Å; G120-L343 VanDerWaalsContact CA-CD1 3.49Å; L123-L343 HydrophobicContact CD1-CD1 3.77Å; L123-L343 HydrophobicContact CD1-CD2 4.11Å; L123-L343 HydrophobicContact CD1-CG 4.47Å; L247-L343 HydrophobicContact CB-CD1 3.8Å; L247-L343 HydrophobicContact CD1-CD1 4.13Å; L247-L343 HydrophobicContact CD2-CD1 4.48Å; L247-L343 HydrophobicContact CG-CD1 4.36Å; H248-L343 WeakPolarHBondContact O-CB 3.4Å; H248-L343 PolarHBondContact O-N 3.1Å; L252-L343 WeakPolarHBondContact CD1-O 3.3Å; Y285-L343 HydrophobicContact CE1-CD2 4.18Å; Y285-L343 WeakPolarHBondContact OH-CD2 3.29Å; V341-L343 HydrophobicContact CB-CD2 4.5Å; V341-L343 HydrophobicContact CG1-CD2 3.63Å; V341-L343 HydrophobicContact CG1-CG 4.26Å; L343-Y357 WeakPolarHBondContact O-CE1 3.45Å; L343-N361 VanDerWaalsContact CD2-OD1 3.3Å; L343-N361 WeakPolarHBondContact CD2-OD1 3.43Å
344	S	97.1	Very high	97.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.132	C	C	.	.			trans	-159.6	133	-168.5	62.9	0	0	0	0	112.4	V119 G250 D251 E346 Y357	V119-S344 WeakPolarHBondContact CG2-OG 3.08Å; G250-S344 PolarHBondContact N-O 2.91Å; D251-S344 PolarHBondContact N-O 2.98Å; D251-S344 CarbonylContact O-C 3.6Å; D251-S344 PolarHBondContact O-N 3.3Å; D251-S344 VanDerWaalsContact O-O 3.12Å; S344-E346 VanDerWaalsContact C-N 3.32Å; S344-E346 VanDerWaalsContact CB-O 3.27Å; S344-E346 WeakPolarHBondContact CB-O 3.34Å; S344-E346 PolarHBondContact O-N 2.99Å; S344-E346 PolarHBondContact OG-O 3.09Å; S344-Y357 VanDerWaalsContact CB-CE1 3.47Å; S344-Y357 WeakPolarHBondContact CB-OH 3.49Å
345	C	95.3	Very high	97.4	Very high	50 Å²	50	30.4 Å²	30.4	34%	0.338	15%	0.153	S	C	.	.	S	Bend	trans	-60.1	-42.2	171.9	-61.7	0	0	0	0	112.4	W175 C300	W175-C345 WeakPolarHBondContact CH2-O 3.45Å; C300-C345 WeakPolarHBondContact CA-SG 3.4Å; C300-C345 HydrophobicContact CB-CB 3.46Å; C300-C345 VanDerWaalsContact CB-CB 3.46Å; C300-C345 WeakPolarHBondContact CB-SG 3.42Å; C300-C345 WeakPolarHBondContact SG-CA 3.28Å; C300-C345 WeakPolarHBondContact SG-CB 3.4Å; C300-C345 CovalentContact SG-SG 2.03Å; C300-C345 PolarHBondContact SG-SG 3.23Å
346	E	95.3	Very high	97.4	Very high	71 Å²	71	33.3 Å²	33.3	33%	0.332	17%	0.172	S	C	.	.	S	Bend	trans	-86.1	125.1	172.4	-172	170.1	-170.3	0	0	108.9	S344 F348 P349	S344-E346 VanDerWaalsContact C-N 3.32Å; S344-E346 VanDerWaalsContact CB-O 3.27Å; S344-E346 WeakPolarHBondContact CB-O 3.34Å; S344-E346 PolarHBondContact O-N 2.99Å; S344-E346 PolarHBondContact OG-O 3.09Å; E346-F348 VanDerWaalsContact C-N 3.34Å; E346-F348 PolarHBondContact O-N 3.21Å; E346-P349 HydrophobicContact CB-CB 4.17Å; E346-P349 HydrophobicContact CG-CB 4.17Å; E346-P349 WeakPolarHBondContact O-CD 3.39Å
347	K	96.4	Very high	97.3	Very high	14 Å²	14	35.6 Å²	35.6	6%	0.061	18%	0.181	C	C	.	.	S	Bend	trans	-68.6	-35.6	-175.7	-66	-171.4	159.7	-164.4	0	112.9	N116 E117 A118 W175 G249	N116-K347 CarbonylContact O-C 3.59Å; N116-K347 VanDerWaalsContact O-CB 3.32Å; N116-K347 WeakPolarHBondContact O-CB 3.24Å; E117-K347 CarbonylContact C-O 3.09Å; E117-K347 WeakPolarHBondContact CA-O 3.32Å; E117-K347 HydrophobicContact CG-CB 4.09Å; E117-K347 HydrophobicContact CG-CD 3.8Å; E117-K347 HydrophobicContact CG-CG 3.98Å; E117-K347 VanDerWaalsContact OE1-CE 3.32Å; E117-K347 WeakPolarHBondContact OE1-CE 3.03Å; E117-K347 IonicContact OE1-NZ 2.9Å; E117-K347 PolarHBondContact OE1-NZ 3.09Å; A118-K347 PolarHBondContact N-O 3.22Å; W175-K347 HydrophobicContact CD2-CD 3.85Å; W175-K347 HydrophobicContact CD2-CG 4.39Å; W175-K347 HydrophobicContact CE3-CD 4.05Å; W175-K347 HydrophobicContact CE3-CG 4.1Å; W175-K347 HydrophobicContact CH2-CD 4.09Å; W175-K347 HydrophobicContact CH2-CG 3.8Å; W175-K347 HydrophobicContact CZ2-CD 3.87Å; W175-K347 HydrophobicContact CZ2-CG 4.08Å; W175-K347 HydrophobicContact CZ3-CD 4.17Å; W175-K347 HydrophobicContact CZ3-CG 3.8Å; G249-K347 WeakPolarHBondContact O-CE 3.4Å
348	F	97.4	Very high	97.3	Very high	13 Å²	13	36.3 Å²	36.3	6%	0.057	18%	0.183	C	C	.	.	S	Bend	trans	-134.5	69.7	-176.9	-153	-63	0	0	0	109.4	Y53 A118 F162 A165 A166 K173 E346	Y53-F348 HydrophobicContact CD1-CE1 4.07Å; Y53-F348 HydrophobicContact CD1-CZ 4.04Å; Y53-F348 HydrophobicContact CD2-CD1 4.26Å; Y53-F348 AromaticContact CD2-CE1 3.4Å; Y53-F348 HydrophobicContact CD2-CE1 3.4Å; Y53-F348 HydrophobicContact CD2-CZ 4.01Å; Y53-F348 HydrophobicContact CE1-CD1 4.31Å; Y53-F348 AromaticContact CE1-CE1 3.93Å; Y53-F348 HydrophobicContact CE1-CE1 3.93Å; Y53-F348 HydrophobicContact CE1-CZ 4.17Å; Y53-F348 AromaticContact CE2-CD1 3.62Å; Y53-F348 HydrophobicContact CE2-CD1 3.62Å; Y53-F348 AromaticContact CE2-CE1 3.21Å; Y53-F348 HydrophobicContact CE2-CE1 3.21Å; Y53-F348 HydrophobicContact CE2-CZ 4.13Å; Y53-F348 AromaticContact CG-CE1 3.82Å; Y53-F348 HydrophobicContact CG-CE1 3.82Å; Y53-F348 AromaticContact CG-CZ 3.96Å; Y53-F348 HydrophobicContact CG-CZ 3.96Å; Y53-F348 AromaticContact CZ-CD1 3.63Å; Y53-F348 AromaticContact CZ-CE1 3.48Å; Y53-F348 VanDerWaalsContact CZ-CE1 3.48Å; A118-F348 HydrophobicContact CB-CD2 3.55Å; A118-F348 HydrophobicContact CB-CE2 3.65Å; A118-F348 HydrophobicContact CB-CG 3.99Å; A118-F348 HydrophobicContact CB-CZ 4.18Å; F162-F348 HydrophobicContact CD2-CE2 4.25Å; F162-F348 AromaticContact CE2-CE2 3.85Å; F162-F348 HydrophobicContact CE2-CE2 3.85Å; F162-F348 HydrophobicContact CE2-CZ 4.08Å; F162-F348 HydrophobicContact CZ-CE2 4.41Å; F162-F348 HydrophobicContact CZ-CZ 4.24Å; A165-F348 HydrophobicContact CB-CD2 4.03Å; A165-F348 HydrophobicContact CB-CE2 3.97Å; A166-F348 HydrophobicContact CB-CE2 4.32Å; A166-F348 HydrophobicContact CB-CZ 3.95Å; K173-F348 HydrophobicContact CB-CB 4.14Å; K173-F348 HydrophobicContact CG-CB 3.94Å; K173-F348 HydrophobicContact CG-CD1 3.95Å; K173-F348 HydrophobicContact CG-CG 4Å; E346-F348 VanDerWaalsContact C-N 3.34Å; E346-F348 PolarHBondContact O-N 3.21Å
349	P	96	Very high	97.3	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.019	20%	0.202	C	C	.	.			trans	-69	165.6	-173.7	29.9	-36.3	0	0	0	112.9	Y53 V119 E346 Y357	Y53-P349 WeakPolarHBondContact CE2-O 3.42Å; Y53-P349 VanDerWaalsContact CZ-O 3.31Å; Y53-P349 WeakPolarHBondContact OH-CD 3.25Å; Y53-P349 PolarHBondContact OH-O 3.39Å; V119-P349 HydrophobicContact CG2-CG 3.54Å; E346-P349 HydrophobicContact CB-CB 4.17Å; E346-P349 HydrophobicContact CG-CB 4.17Å; E346-P349 WeakPolarHBondContact O-CD 3.39Å; P349-Y357 HydrophobicContact CB-CE2 3.96Å; P349-Y357 HydrophobicContact CG-CD2 4.22Å; P349-Y357 HydrophobicContact CG-CE2 3.56Å
350	P	95.3	Very high	97.3	Very high	46 Å²	46	42.4 Å²	42.4	30%	0.299	21%	0.213	S	C	.	.			trans	-58.5	143.5	173.8	-25	35.1	0	0	0	113.1	E352 T353	P350-E352 HydrophobicContact CB-CG 4.22Å; P350-E352 VanDerWaalsContact CB-OE1 3.24Å; P350-E352 WeakPolarHBondContact CB-OE1 3.47Å; P350-E352 WeakPolarHBondContact CB-OE2 3.15Å; P350-E352 PolarHBondContact O-N 3.23Å; P350-E352 VanDerWaalsContact O-N 3.16Å; P350-T353 WeakPolarHBondContact O-CB 3.05Å; P350-T353 PolarHBondContact O-N 3.13Å; P350-T353 PolarHBondContact O-OG1 3.21Å
351	E	94.9	Very high	97.3	Very high	85 Å²	85	42.2 Å²	42.2	40%	0.397	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-57.2	-33.6	-174.3	-72.1	-177.6	162.9	0	0	113.2	Y53 T353 L354	Y53-E351 HydrophobicContact CD2-CG 3.38Å; Y53-E351 HydrophobicContact CE2-CG 3.74Å; Y53-E351 HydrophobicContact CG-CG 4.32Å; Y53-E351 PolarHBondContact N-OE1 3.1Å; Y53-E351 VanDerWaalsContact N-OE1 3.12Å; E351-T353 PolarHBondContact O-N 3Å; E351-L354 HydrophobicContact CB-CD1 4.32Å; E351-L354 HydrophobicContact CG-CD1 4.35Å; E351-L354 WeakPolarHBondContact O-CB 3.49Å; E351-L354 WeakPolarHBondContact O-CG 3.42Å; E351-L354 PolarHBondContact O-N 3.39Å
352	E	95.8	Very high	97.3	Very high	152 Å²	152	43.9 Å²	43.9	71%	0.71	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-60.5	-18.8	178.7	63	-91.9	-150.6	0	0	113.7	P350	P350-E352 HydrophobicContact CB-CG 4.22Å; P350-E352 VanDerWaalsContact CB-OE1 3.24Å; P350-E352 WeakPolarHBondContact CB-OE1 3.47Å; P350-E352 WeakPolarHBondContact CB-OE2 3.15Å; P350-E352 PolarHBondContact O-N 3.23Å; P350-E352 VanDerWaalsContact O-N 3.16Å
353	T	96.9	Very high	97.3	Very high	42 Å²	42	47.4 Å²	47.4	26%	0.258	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-88.5	-15.8	177.7	67	0	0	0	0	113.5	P350 E351 K355 T356 Y357	P350-T353 WeakPolarHBondContact O-CB 3.05Å; P350-T353 PolarHBondContact O-N 3.13Å; P350-T353 PolarHBondContact O-OG1 3.21Å; E351-T353 PolarHBondContact O-N 3Å; T353-K355 PolarHBondContact O-N 3.39Å; T353-T356 WeakPolarHBondContact O-CB 3.33Å; T353-T356 PolarHBondContact O-N 3.33Å; T353-Y357 WeakPolarHBondContact O-CD2 3.43Å; T353-Y357 PolarHBondContact O-N 3.43Å; T353-Y357 WeakPolarHBondContact OG1-CE2 3.48Å
354	L	97.9	Very high	97.3	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-58.9	-36	-174.9	-69.8	174.6	0	0	0	112.6	F51 Y53 E122 E351 T356 Y357 W358	F51-L354 HydrophobicContact CB-CB 4.26Å; F51-L354 HydrophobicContact CD1-CB 4.38Å; Y53-L354 HydrophobicContact CD1-CD1 4.41Å; Y53-L354 HydrophobicContact CE1-CD1 4.31Å; Y53-L354 HydrophobicContact CE1-CD2 4Å; E122-L354 HydrophobicContact CB-CD2 4.27Å; E122-L354 HydrophobicContact CG-CD1 4.37Å; E122-L354 HydrophobicContact CG-CD2 4.21Å; E351-L354 HydrophobicContact CB-CD1 4.32Å; E351-L354 HydrophobicContact CG-CD1 4.35Å; E351-L354 WeakPolarHBondContact O-CB 3.49Å; E351-L354 WeakPolarHBondContact O-CG 3.42Å; E351-L354 PolarHBondContact O-N 3.39Å; L354-T356 VanDerWaalsContact C-N 3.35Å; L354-T356 PolarHBondContact O-N 3.09Å; L354-Y357 PolarHBondContact O-N 3.19Å; L354-W358 PolarHBondContact O-N 2.89Å
355	K	97.6	Very high	97.4	Very high	121 Å²	121	47.4 Å²	47.4	53%	0.526	24%	0.238	S	C	.	.	H	α-helix	trans	-63.4	-40.8	175.3	-173.6	177.2	-179.7	-179	0	112.1	F51 T353 W358 E359	F51-K355 HydrophobicContact CB-CB 4.43Å; F51-K355 HydrophobicContact CD1-CB 4.03Å; F51-K355 HydrophobicContact CD2-CB 4.05Å; F51-K355 HydrophobicContact CD2-CD 4.34Å; F51-K355 HydrophobicContact CD2-CG 4.12Å; F51-K355 HydrophobicContact CE1-CB 4.3Å; F51-K355 HydrophobicContact CE1-CG 4.39Å; F51-K355 HydrophobicContact CE2-CB 4.31Å; F51-K355 HydrophobicContact CE2-CD 4.25Å; F51-K355 HydrophobicContact CE2-CG 3.93Å; F51-K355 HydrophobicContact CG-CB 3.9Å; F51-K355 HydrophobicContact CG-CG 4.42Å; F51-K355 HydrophobicContact CZ-CB 4.43Å; F51-K355 HydrophobicContact CZ-CG 4.07Å; T353-K355 PolarHBondContact O-N 3.39Å; K355-W358 PolarHBondContact O-N 3.04Å; K355-E359 WeakPolarHBondContact O-CG 3.33Å; K355-E359 PolarHBondContact O-N 3.3Å
356	T	98.1	Very high	97.5	Very high	82 Å²	82	45.7 Å²	45.7	50%	0.503	23%	0.226	S	C	.	.	H	α-helix	trans	-65.3	-46.2	176.7	-54.5	0	0	0	0	110.4	T353 L354 W358 E359 D360	T353-T356 WeakPolarHBondContact O-CB 3.33Å; T353-T356 PolarHBondContact O-N 3.33Å; L354-T356 VanDerWaalsContact C-N 3.35Å; L354-T356 PolarHBondContact O-N 3.09Å; T356-W358 VanDerWaalsContact C-N 3.25Å; T356-W358 PolarHBondContact O-N 3.01Å; T356-E359 PolarHBondContact O-N 2.79Å; T356-E359 VanDerWaalsContact O-N 3.16Å; T356-D360 WeakPolarHBondContact O-CB 3.33Å; T356-D360 PolarHBondContact O-N 3.03Å
357	Y	98.6	Very high	97.7	Very high	47 Å²	47	42.9 Å²	42.9	18%	0.184	21%	0.214	C	C	.	.	H	α-helix	trans	-57.1	-40	174.7	-78.3	-65.7	0	0	0	112.4	V119 L343 S344 P349 T353 L354 N361	V119-Y357 HydrophobicContact CG1-CD1 3.97Å; V119-Y357 HydrophobicContact CG1-CD2 4.37Å; V119-Y357 HydrophobicContact CG1-CG 3.83Å; V119-Y357 HydrophobicContact CG2-CD2 4.25Å; V119-Y357 HydrophobicContact CG2-CE2 4.29Å; V119-Y357 HydrophobicContact CG2-CG 4.47Å; L343-Y357 WeakPolarHBondContact O-CE1 3.45Å; S344-Y357 VanDerWaalsContact CB-CE1 3.47Å; S344-Y357 WeakPolarHBondContact CB-OH 3.49Å; P349-Y357 HydrophobicContact CB-CE2 3.96Å; P349-Y357 HydrophobicContact CG-CD2 4.22Å; P349-Y357 HydrophobicContact CG-CE2 3.56Å; T353-Y357 WeakPolarHBondContact O-CD2 3.43Å; T353-Y357 PolarHBondContact O-N 3.43Å; T353-Y357 WeakPolarHBondContact OG1-CE2 3.48Å; L354-Y357 PolarHBondContact O-N 3.19Å; Y357-N361 WeakPolarHBondContact O-CB 3.37Å; Y357-N361 PolarHBondContact O-N 2.8Å; Y357-N361 VanDerWaalsContact O-N 3.13Å; Y357-N361 PolarHBondContact O-ND2 2.89Å
358	W	98.7	Very high	97.8	Very high	17 Å²	17	42.2 Å²	42.2	6%	0.064	21%	0.211	C	C	.	.	H	α-helix	trans	-62.1	-50.7	174.4	169.7	-109.2	0	0	0	112.4	F51 L123 F126 L127 Y130 L354 K355 T356 D360 N361 K362 L365	F51-W358 HydrophobicContact CD1-CB 4.48Å; F51-W358 HydrophobicContact CE1-CB 3.6Å; F51-W358 AromaticContact CE1-CD1 3.84Å; F51-W358 AromaticContact CE1-CG 3.76Å; F51-W358 HydrophobicContact CE1-CG 3.76Å; F51-W358 HydrophobicContact CZ-CB 4.32Å; F51-W358 AromaticContact CZ-CD1 3.7Å; F51-W358 HydrophobicContact CZ-CG 4.11Å; L123-W358 HydrophobicContact CD2-CB 4.1Å; L123-W358 HydrophobicContact CD2-CE3 4.11Å; F126-W358 HydrophobicContact CB-CD2 3.88Å; F126-W358 HydrophobicContact CB-CE3 3.52Å; F126-W358 HydrophobicContact CB-CH2 4.3Å; F126-W358 HydrophobicContact CB-CZ3 3.76Å; F126-W358 HydrophobicContact CD2-CB 4.15Å; F126-W358 HydrophobicContact CD2-CD2 4.42Å; F126-W358 HydrophobicContact CD2-CE3 4.25Å; F126-W358 HydrophobicContact CD2-CG 4.39Å; F126-W358 HydrophobicContact CG-CE3 4.4Å; L127-W358 HydrophobicContact CB-CH2 4.43Å; L127-W358 HydrophobicContact CB-CZ3 4.15Å; L127-W358 HydrophobicContact CD1-CH2 4.47Å; Y130-W358 HydrophobicContact CD1-CH2 4.33Å; Y130-W358 HydrophobicContact CD1-CZ2 4.47Å; Y130-W358 AromaticContact CD2-CZ2 3.92Å; Y130-W358 HydrophobicContact CD2-CZ2 3.92Å; Y130-W358 AromaticContact CG-CH2 3.92Å; Y130-W358 HydrophobicContact CG-CH2 3.92Å; Y130-W358 AromaticContact CG-CZ2 3.74Å; Y130-W358 HydrophobicContact CG-CZ2 3.74Å; L354-W358 PolarHBondContact O-N 2.89Å; K355-W358 PolarHBondContact O-N 3.04Å; T356-W358 VanDerWaalsContact C-N 3.25Å; T356-W358 PolarHBondContact O-N 3.01Å; W358-D360 VanDerWaalsContact C-N 3.3Å; W358-D360 PolarHBondContact O-N 3.05Å; W358-N361 PolarHBondContact O-N 2.81Å; W358-K362 HydrophobicContact CD2-CB 4.29Å; W358-K362 HydrophobicContact CE3-CB 4.44Å; W358-K362 HydrophobicContact CH2-CB 4.09Å; W358-K362 HydrophobicContact CH2-CD 4.31Å; W358-K362 HydrophobicContact CH2-CG 3.84Å; W358-K362 HydrophobicContact CZ2-CB 3.93Å; W358-K362 HydrophobicContact CZ2-CD 3.52Å; W358-K362 HydrophobicContact CZ2-CG 3.56Å; W358-K362 HydrophobicContact CZ3-CB 4.35Å; W358-K362 VanDerWaalsContact O-CB 3.27Å; W358-K362 WeakPolarHBondContact O-CB 3.25Å; W358-K362 PolarHBondContact O-N 2.88Å; W358-L365 HydrophobicContact CZ3-CD1 4.17Å
359	E	98.5	Very high	97.9	Very high	85 Å²	85	41.6 Å²	41.6	40%	0.397	21%	0.208	S	C	.	.	H	α-helix	trans	-64.1	-36.1	-179.3	-65.3	-56.1	157.6	0	0	112.6	K355 T356 N361 K362	K355-E359 WeakPolarHBondContact O-CG 3.33Å; K355-E359 PolarHBondContact O-N 3.3Å; T356-E359 PolarHBondContact O-N 2.79Å; T356-E359 VanDerWaalsContact O-N 3.16Å; E359-N361 VanDerWaalsContact C-N 3.33Å; E359-N361 PolarHBondContact O-N 2.77Å; E359-K362 IonicContact OE2-NZ 2.7Å; E359-K362 PolarHBondContact OE2-NZ 3.42Å
360	D	98.3	Very high	98	Very high	44 Å²	44	44.8 Å²	44.8	24%	0.235	22%	0.223	C	C	.	.	H	α-helix	trans	-70.3	-26.8	177.9	-72.6	-16.2	0	0	0	113	N289 T356 W358	N289-D360 WeakPolarHBondContact CA-O 3.37Å; T356-D360 WeakPolarHBondContact O-CB 3.33Å; T356-D360 PolarHBondContact O-N 3.03Å; W358-D360 VanDerWaalsContact C-N 3.3Å; W358-D360 PolarHBondContact O-N 3.05Å
361	N	98.9	Very high	98.2	Very high	1 Å²	1	43 Å²	43	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-109.2	-19.3	-173.8	-73.2	-81	0	0	0	114.7	L123 Y285 N289 L343 Y357 W358 E359 N363 S364 L365	L123-N361 HydrophobicContact CD1-CB 3.66Å; Y285-N361 PolarHBondContact OH-OD1 2.86Å; N289-N361 PolarHBondContact ND2-OD1 2.75Å; L343-N361 VanDerWaalsContact CD2-OD1 3.3Å; L343-N361 WeakPolarHBondContact CD2-OD1 3.43Å; Y357-N361 WeakPolarHBondContact O-CB 3.37Å; Y357-N361 PolarHBondContact O-N 2.8Å; Y357-N361 VanDerWaalsContact O-N 3.13Å; Y357-N361 PolarHBondContact O-ND2 2.89Å; W358-N361 PolarHBondContact O-N 2.81Å; E359-N361 VanDerWaalsContact C-N 3.33Å; E359-N361 PolarHBondContact O-N 2.77Å; N361-N363 VanDerWaalsContact C-N 3.3Å; N361-N363 PolarHBondContact O-N 3.16Å; N361-S364 WeakPolarHBondContact O-CB 3.45Å; N361-S364 PolarHBondContact O-N 3.45Å; N361-L365 HydrophobicContact CB-CD1 4.41Å; N361-L365 WeakPolarHBondContact O-CG 3.27Å; N361-L365 PolarHBondContact O-N 2.96Å
362	K	98.6	Very high	98.4	Very high	36 Å²	36	39 Å²	39	16%	0.157	19%	0.192	C	C	.	.	H	α-helix	trans	-51.3	-48	-176.9	175.6	-177.3	72.8	-153.2	0	112.1	Y130 W358 E359 L365 I366	Y130-K362 HydrophobicContact CD2-CD 4.12Å; Y130-K362 HydrophobicContact CE1-CG 4.36Å; Y130-K362 HydrophobicContact CE2-CD 3.8Å; Y130-K362 HydrophobicContact CE2-CG 4.46Å; W358-K362 HydrophobicContact CD2-CB 4.29Å; W358-K362 HydrophobicContact CE3-CB 4.44Å; W358-K362 HydrophobicContact CH2-CB 4.09Å; W358-K362 HydrophobicContact CH2-CD 4.31Å; W358-K362 HydrophobicContact CH2-CG 3.84Å; W358-K362 HydrophobicContact CZ2-CB 3.93Å; W358-K362 HydrophobicContact CZ2-CD 3.52Å; W358-K362 HydrophobicContact CZ2-CG 3.56Å; W358-K362 HydrophobicContact CZ3-CB 4.35Å; W358-K362 VanDerWaalsContact O-CB 3.27Å; W358-K362 WeakPolarHBondContact O-CB 3.25Å; W358-K362 PolarHBondContact O-N 2.88Å; E359-K362 IonicContact OE2-NZ 2.7Å; E359-K362 PolarHBondContact OE2-NZ 3.42Å; K362-L365 PolarHBondContact O-N 3.36Å; K362-I366 WeakPolarHBondContact O-CG1 3.27Å; K362-I366 PolarHBondContact O-N 3.43Å
363	N	98.6	Very high	98.5	Very high	84 Å²	84	33.4 Å²	33.4	45%	0.449	17%	0.166	S	C	.	.	H	α-helix	trans	-70.1	-35.6	180	-65.9	-21.7	0	0	0	112.1	F288 N361 S367	F288-N363 HydrophobicContact CB-CB 4.26Å; F288-N363 HydrophobicContact CD1-CB 4.11Å; N361-N363 VanDerWaalsContact C-N 3.3Å; N361-N363 PolarHBondContact O-N 3.16Å; N363-S367 VanDerWaalsContact O-CB 3.23Å; N363-S367 WeakPolarHBondContact O-CB 3.33Å; N363-S367 PolarHBondContact O-N 3.07Å
364	S	98.9	Very high	98.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64.6	-42.2	174.6	-64.5	0	0	0	0	112.7	Y285 F288 N289 N361 S367 Y368	Y285-S364 VanDerWaalsContact O-CB 3.28Å; Y285-S364 WeakPolarHBondContact O-CB 3.31Å; Y285-S364 PolarHBondContact O-OG 3.15Å; F288-S364 WeakPolarHBondContact CB-OG 3.41Å; N289-S364 WeakPolarHBondContact CB-OG 3.45Å; N289-S364 PolarHBondContact N-OG 2.82Å; N361-S364 WeakPolarHBondContact O-CB 3.45Å; N361-S364 PolarHBondContact O-N 3.45Å; S364-S367 PolarHBondContact O-N 2.97Å; S364-Y368 VanDerWaalsContact O-CB 3.23Å; S364-Y368 WeakPolarHBondContact O-CB 3.4Å; S364-Y368 PolarHBondContact O-N 3.01Å
365	L	98.9	Very high	98.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-61.6	-45.2	177.5	-71.2	163.7	0	0	0	111.2	Y109 L123 L127 L247 Y285 W358 N361 K362 L369	Y109-L365 HydrophobicContact CD1-CD2 4.49Å; Y109-L365 HydrophobicContact CD2-CD2 4.43Å; Y109-L365 HydrophobicContact CE1-CD2 3.86Å; Y109-L365 HydrophobicContact CE2-CB 4.48Å; Y109-L365 HydrophobicContact CE2-CD2 3.85Å; Y109-L365 WeakPolarHBondContact OH-CA 3.26Å; Y109-L365 PolarHBondContact OH-O 3.17Å; Y109-L365 VanDerWaalsContact OH-O 3.13Å; L123-L365 HydrophobicContact CB-CD1 4.37Å; L127-L365 HydrophobicContact CD1-CB 4.3Å; L127-L365 HydrophobicContact CD2-CB 4.32Å; L127-L365 HydrophobicContact CD2-CD1 4.45Å; L127-L365 HydrophobicContact CD2-CD2 4.43Å; L247-L365 HydrophobicContact CD1-CD2 4.33Å; Y285-L365 HydrophobicContact CE2-CD2 3.94Å; Y285-L365 HydrophobicContact CE2-CG 4.22Å; W358-L365 HydrophobicContact CZ3-CD1 4.17Å; N361-L365 HydrophobicContact CB-CD1 4.41Å; N361-L365 WeakPolarHBondContact O-CG 3.27Å; N361-L365 PolarHBondContact O-N 2.96Å; K362-L365 PolarHBondContact O-N 3.36Å; L365-L369 WeakPolarHBondContact O-CB 3.27Å; L365-L369 PolarHBondContact O-N 3.02Å; L365-L369 VanDerWaalsContact O-N 3.09Å
366	I	98.8	Very high	98.7	Very high	15 Å²	15	25.8 Å²	25.8	8%	0.077	13%	0.129	C	C	.	.	H	α-helix	trans	-68.4	-46.5	176.8	-59.9	-57.2	0	0	0	111.1	L127 Y130 L131 I142 L145 K362 Y368 L369 E370	L127-I366 HydrophobicContact CD1-CD1 3.87Å; Y130-I366 HydrophobicContact CD1-CD1 4.25Å; Y130-I366 HydrophobicContact CE1-CD1 4.01Å; Y130-I366 HydrophobicContact CE1-CG1 4.04Å; L131-I366 HydrophobicContact CD2-CD1 3.81Å; I142-I366 HydrophobicContact CD1-CD1 3.86Å; I142-I366 HydrophobicContact CD1-CG1 4.44Å; I142-I366 HydrophobicContact CD1-CG2 4.33Å; L145-I366 HydrophobicContact CD1-CG2 4.04Å; K362-I366 WeakPolarHBondContact O-CG1 3.27Å; K362-I366 PolarHBondContact O-N 3.43Å; I366-Y368 VanDerWaalsContact C-N 3.29Å; I366-Y368 PolarHBondContact O-N 2.9Å; I366-L369 WeakPolarHBondContact O-CB 3.43Å; I366-L369 PolarHBondContact O-N 3.03Å; I366-E370 WeakPolarHBondContact O-CG 3.23Å; I366-E370 PolarHBondContact O-N 3.06Å
367	S	98.7	Very high	98.7	Very high	11 Å²	11	25.3 Å²	25.3	8%	0.077	12%	0.12	C	C	.	.	H	α-helix	trans	-61.2	-38.8	-179.4	-174.4	0	0	0	0	112.4	A284 F288 N363 S364 Q371	A284-S367 PolarHBondContact O-OG 3.03Å; F288-S367 WeakPolarHBondContact CD2-OG 3.44Å; F288-S367 VanDerWaalsContact CE2-OG 3.3Å; F288-S367 WeakPolarHBondContact CE2-OG 3.35Å; N363-S367 VanDerWaalsContact O-CB 3.23Å; N363-S367 WeakPolarHBondContact O-CB 3.33Å; N363-S367 PolarHBondContact O-N 3.07Å; S364-S367 PolarHBondContact O-N 2.97Å; S367-Q371 WeakPolarHBondContact O-CG 3.32Å; S367-Q371 PolarHBondContact O-NE2 2.97Å
368	Y	98.9	Very high	98.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-68.9	-43	176.5	-174.4	-94.1	0	0	0	112.1	F107 Y109 L243 S244 A245 L281 Y285 I339 S364 I366 E370 Q371	F107-Y368 AromaticContact CE2-CD1 3.96Å; F107-Y368 HydrophobicContact CE2-CD1 3.96Å; F107-Y368 AromaticContact CE2-CE1 3.94Å; F107-Y368 HydrophobicContact CE2-CE1 3.94Å; F107-Y368 HydrophobicContact CZ-CD1 4Å; F107-Y368 HydrophobicContact CZ-CE1 4.16Å; Y109-Y368 HydrophobicContact CE1-CD1 4.23Å; Y109-Y368 AromaticContact CZ-CD1 3.95Å; Y109-Y368 WeakPolarHBondContact OH-CB 3.47Å; Y109-Y368 VanDerWaalsContact OH-CD1 3.27Å; Y109-Y368 WeakPolarHBondContact OH-CD1 3.36Å; L243-Y368 HydrophobicContact CD1-CE1 4.24Å; L243-Y368 VanDerWaalsContact CD1-OH 3.25Å; L243-Y368 WeakPolarHBondContact CD1-OH 3.32Å; L243-Y368 HydrophobicContact CD2-CE1 4.07Å; L243-Y368 WeakPolarHBondContact CD2-O 3.21Å; L243-Y368 HydrophobicContact CG-CE1 3.95Å; S244-Y368 PolarHBondContact O-OH 2.53Å; A245-Y368 HydrophobicContact CB-CD1 4.17Å; A245-Y368 HydrophobicContact CB-CE1 3.56Å; L281-Y368 HydrophobicContact CB-CE2 4.01Å; L281-Y368 WeakPolarHBondContact O-CD2 3.44Å; Y285-Y368 HydrophobicContact CD2-CG 4.21Å; I339-Y368 HydrophobicContact CD1-CD2 3.96Å; I339-Y368 HydrophobicContact CD1-CE2 3.28Å; I339-Y368 HydrophobicContact CG1-CE2 3.78Å; I339-Y368 WeakPolarHBondContact CG1-OH 3.44Å; S364-Y368 VanDerWaalsContact O-CB 3.23Å; S364-Y368 WeakPolarHBondContact O-CB 3.4Å; S364-Y368 PolarHBondContact O-N 3.01Å; I366-Y368 VanDerWaalsContact C-N 3.29Å; I366-Y368 PolarHBondContact O-N 2.9Å; Y368-E370 VanDerWaalsContact C-N 3.3Å; Y368-E370 PolarHBondContact O-N 3.38Å; Y368-Q371 VanDerWaalsContact O-CB 3.26Å; Y368-Q371 WeakPolarHBondContact O-CB 3.36Å; Y368-Q371 WeakPolarHBondContact O-CG 3.21Å; Y368-Q371 PolarHBondContact O-N 2.87Å
369	L	98.8	Very high	98.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-56.5	-43.7	174.4	173.5	62.5	0	0	0	111.7	F107 L145 T149 I151 L365 I366 Q371 I372	F107-L369 HydrophobicContact CB-CD1 3.83Å; F107-L369 HydrophobicContact CD1-CD1 3.43Å; F107-L369 VanDerWaalsContact CD1-CD1 3.43Å; F107-L369 HydrophobicContact CD2-CD1 3.53Å; F107-L369 HydrophobicContact CE1-CD1 3.84Å; F107-L369 HydrophobicContact CE2-CB 4.5Å; F107-L369 HydrophobicContact CE2-CD1 3.92Å; F107-L369 HydrophobicContact CG-CD1 3.28Å; F107-L369 HydrophobicContact CZ-CB 4.48Å; F107-L369 HydrophobicContact CZ-CD1 4.07Å; L145-L369 HydrophobicContact CD1-CD2 4.1Å; L145-L369 HydrophobicContact CD2-CD2 4.46Å; L145-L369 HydrophobicContact CD2-CG 4.23Å; T149-L369 HydrophobicContact CG2-CD1 4.42Å; I151-L369 HydrophobicContact CD1-CD1 4.4Å; I151-L369 HydrophobicContact CD1-CD2 3.72Å; I151-L369 HydrophobicContact CG1-CD1 4.14Å; I151-L369 HydrophobicContact CG1-CD2 4.35Å; I151-L369 HydrophobicContact CG2-CD1 4.39Å; L365-L369 WeakPolarHBondContact O-CB 3.27Å; L365-L369 PolarHBondContact O-N 3.02Å; L365-L369 VanDerWaalsContact O-N 3.09Å; I366-L369 WeakPolarHBondContact O-CB 3.43Å; I366-L369 PolarHBondContact O-N 3.03Å; L369-Q371 PolarHBondContact O-N 2.68Å; L369-Q371 VanDerWaalsContact O-N 3.1Å; L369-I372 WeakPolarHBondContact O-CG2 3.18Å; L369-I372 PolarHBondContact O-N 2.74Å
370	E	98.6	Very high	98.7	Very high	70 Å²	70	20.6 Å²	20.6	33%	0.327	10%	0.102	S	C	.	.	H	α-helix	trans	-59	-22.4	176.7	-71.7	174.4	154.5	0	0	113.6	T141 L145 I366 Y368 I372 H373	T141-E370 VanDerWaalsContact CG2-OE1 3.25Å; T141-E370 WeakPolarHBondContact CG2-OE1 3.44Å; L145-E370 HydrophobicContact CD1-CG 4.05Å; L145-E370 HydrophobicContact CD2-CG 3.93Å; L145-E370 HydrophobicContact CG-CG 4.39Å; I366-E370 WeakPolarHBondContact O-CG 3.23Å; I366-E370 PolarHBondContact O-N 3.06Å; Y368-E370 VanDerWaalsContact C-N 3.3Å; Y368-E370 PolarHBondContact O-N 3.38Å; E370-I372 PolarHBondContact O-N 3.26Å; E370-H373 PolarHBondContact O-N 3.19Å
371	Q	98.8	Very high	98.7	Very high	8 Å²	8	22.5 Å²	22.5	4%	0.037	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-67.4	-18.1	-178.5	-54.3	-55.1	-65.3	0	0	113.2	L243 L281 A284 S367 Y368 L369 H373 R374	L243-Q371 HydrophobicContact CD2-CB 3.89Å; L281-Q371 HydrophobicContact CD2-CB 3.46Å; L281-Q371 VanDerWaalsContact CD2-CB 3.46Å; L281-Q371 HydrophobicContact CD2-CG 3.98Å; A284-Q371 HydrophobicContact CB-CG 3.57Å; S367-Q371 WeakPolarHBondContact O-CG 3.32Å; S367-Q371 PolarHBondContact O-NE2 2.97Å; Y368-Q371 VanDerWaalsContact O-CB 3.26Å; Y368-Q371 WeakPolarHBondContact O-CB 3.36Å; Y368-Q371 WeakPolarHBondContact O-CG 3.21Å; Y368-Q371 PolarHBondContact O-N 2.87Å; L369-Q371 PolarHBondContact O-N 2.68Å; L369-Q371 VanDerWaalsContact O-N 3.1Å; Q371-H373 PolarHBondContact O-N 3.29Å; Q371-H373 VanDerWaalsContact O-N 3.14Å; Q371-R374 WeakPolarHBondContact O-CB 3.37Å; Q371-R374 WeakPolarHBondContact O-CG 3.26Å; Q371-R374 PolarHBondContact O-N 3.46Å
372	I	98.8	Very high	98.7	Very high	3 Å²	3	23.1 Å²	23.1	2%	0.015	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-61.8	-21	177.7	-161.6	169.6	0	0	0	112.5	P105 E106 F107 T149 V242 L243 L369 E370 R374	P105-I372 HydrophobicContact CB-CD1 3.69Å; P105-I372 HydrophobicContact CB-CG1 3.78Å; P105-I372 HydrophobicContact CG-CD1 4.17Å; P105-I372 HydrophobicContact CG-CG1 4.13Å; P105-I372 HydrophobicContact CG-CG2 4.33Å; E106-I372 WeakPolarHBondContact O-CD1 3.17Å; F107-I372 HydrophobicContact CB-CD1 3.58Å; F107-I372 HydrophobicContact CD2-CB 4.47Å; F107-I372 HydrophobicContact CD2-CD1 4.11Å; F107-I372 HydrophobicContact CG-CD1 4.34Å; T149-I372 HydrophobicContact CG2-CD1 4.2Å; T149-I372 HydrophobicContact CG2-CG2 4.03Å; V242-I372 HydrophobicContact CB-CD1 4.04Å; V242-I372 HydrophobicContact CB-CG1 4Å; V242-I372 HydrophobicContact CG1-CG1 4.07Å; L243-I372 HydrophobicContact CB-CB 4.08Å; L243-I372 HydrophobicContact CB-CD1 4.07Å; L243-I372 HydrophobicContact CB-CG1 3.85Å; L243-I372 HydrophobicContact CD2-CB 3.99Å; L369-I372 WeakPolarHBondContact O-CG2 3.18Å; L369-I372 PolarHBondContact O-N 2.74Å; E370-I372 PolarHBondContact O-N 3.26Å; I372-R374 VanDerWaalsContact C-N 3.33Å; I372-R374 PolarHBondContact O-N 3.3Å
373	H	98.7	Very high	98.5	Very high	33 Å²	33	25.3 Å²	25.3	15%	0.153	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-92.7	24.2	178.9	-61.3	-41.9	0	0	0	113.9	S148 T149 E370 Q371 P441 A442	S148-H373 PolarHBondContact O-CE1 2.98Å; S148-H373 PolarHBondContact OG-CE1 2.89Å; S148-H373 PolarHBondContact OG-NE2 3.24Å; T149-H373 PolarHBondContact OG1-CE1 2.98Å; T149-H373 PolarHBondContact OG1-NE2 3.46Å; E370-H373 PolarHBondContact O-N 3.19Å; Q371-H373 PolarHBondContact O-N 3.29Å; Q371-H373 VanDerWaalsContact O-N 3.14Å; H373-P441 CarbonylContact O-C 3.48Å; H373-A442 WeakPolarHBondContact O-CB 3.46Å; H373-A442 PolarHBondContact O-N 2.97Å
374	R	98.2	Very high	98.3	Very high	5 Å²	5	26.8 Å²	26.8	2%	0.019	13%	0.126	C	C	.	.			trans	-105.2	163.7	177.7	-62	179.8	59	-154.2	-11.3	111.7	S280 Q371 I372 L413 Y439	S280-R374 PolarHBondContact OG-NH1 3.32Å; S280-R374 PolarHBondContact OG-NH2 3.09Å; Q371-R374 WeakPolarHBondContact O-CB 3.37Å; Q371-R374 WeakPolarHBondContact O-CG 3.26Å; Q371-R374 PolarHBondContact O-N 3.46Å; I372-R374 VanDerWaalsContact C-N 3.33Å; I372-R374 PolarHBondContact O-N 3.3Å; R374-L413 WeakPolarHBondContact O-CD2 3.3Å; R374-Y439 VanDerWaalsContact CG-O 3.32Å; R374-Y439 WeakPolarHBondContact CG-O 3.29Å; R374-Y439 VanDerWaalsContact CZ-CE2 3.49Å; R374-Y439 PolarHBondContact NE-O 3.33Å
375	G	98.6	Very high	98.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.143	C	C	.	.	S	Bend	trans	86.5	-129.8	176.5	0	0	0	0	0	113.8	R412 A442 V443	G375-R412 WeakPolarHBondContact CA-O 3.24Å; G375-A442 CarbonylContact O-C 3.49Å; G375-A442 VanDerWaalsContact O-CA 3.22Å; G375-A442 WeakPolarHBondContact O-CA 3.39Å; G375-V443 PolarHBondContact O-N 2.94Å
376	V	98.8	Very high	98.1	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	143.6	-178	177.7	0	0	0	0	109.5	Y410 R412 L414 L421 V435 V437 V443 V445	V376-Y410 HydrophobicContact CG1-CE2 4.14Å; V376-Y410 WeakPolarHBondContact CG1-OH 3.34Å; V376-R412 PolarHBondContact N-O 3.37Å; V376-R412 PolarHBondContact O-N 3.44Å; V376-L414 HydrophobicContact CG2-CD1 4.15Å; V376-L421 HydrophobicContact CB-CD2 4.14Å; V376-L421 HydrophobicContact CG1-CD2 3.85Å; V376-L421 HydrophobicContact CG2-CD2 4.23Å; V376-V435 HydrophobicContact CG2-CG1 4Å; V376-V435 HydrophobicContact CG2-CG2 4.46Å; V376-V437 HydrophobicContact CG2-CG2 3.56Å; V376-V443 WeakPolarHBondContact CA-O 3.49Å; V376-V443 WeakPolarHBondContact CG1-O 3.45Å; V376-V445 HydrophobicContact CG1-CB 3.71Å; V376-V445 HydrophobicContact CG1-CG2 3.62Å
377	K	98.8	Very high	98.1	Very high	72 Å²	72	34.7 Å²	34.7	31%	0.313	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	163.8	167.9	69	175.7	-169.4	168.1	0	110.4	G103 Y410 W411 A442 V443 G444 V445	G103-K377 PolarHBondContact O-NZ 3.26Å; G103-K377 VanDerWaalsContact O-NZ 3.08Å; K377-Y410 VanDerWaalsContact CA-O 3.24Å; K377-Y410 WeakPolarHBondContact CA-O 3.23Å; K377-Y410 WeakPolarHBondContact CB-O 3.28Å; K377-W411 HydrophobicContact CB-CG 4.19Å; K377-A442 HydrophobicContact CG-CB 4.3Å; K377-V443 PolarHBondContact N-O 3.18Å; K377-V443 VanDerWaalsContact O-O 3.12Å; K377-G444 CarbonylContact O-C 3.3Å; K377-G444 VanDerWaalsContact O-CA 3.22Å; K377-G444 WeakPolarHBondContact O-CA 3.45Å; K377-V445 PolarHBondContact O-N 3.39Å
378	G	98.7	Very high	98.1	Very high	8 Å²	8	34.8 Å²	34.8	8%	0.082	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.9	-163.4	175.4	0	0	0	0	0	111.6	D409 Y410 D446	G378-D409 CarbonylContact O-C 3.5Å; G378-D409 WeakPolarHBondContact O-CA 3.34Å; G378-Y410 VanDerWaalsContact C-CE1 3.41Å; G378-Y410 PolarHBondContact N-O 3.45Å; G378-Y410 VanDerWaalsContact N-O 3.13Å; G378-Y410 WeakPolarHBondContact O-CD1 3.39Å; G378-Y410 PolarHBondContact O-N 2.74Å; G378-D446 WeakPolarHBondContact CA-OD1 3.14Å
379	F	98.9	Very high	98	Very high	41 Å²	41	36.9 Å²	36.9	18%	0.18	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	146.4	-179.5	-63.4	-93.1	0	0	0	111.7	P102 R381 G408 D409 D446 F447	P102-F379 HydrophobicContact CB-CE1 3.74Å; P102-F379 HydrophobicContact CB-CZ 4.11Å; F379-R381 HydrophobicContact CB-CG 4.31Å; F379-G408 CarbonylContact C-O 3.55Å; F379-G408 WeakPolarHBondContact CA-O 3.33Å; F379-D409 HydrophobicContact CD1-CB 3.79Å; F379-D409 HydrophobicContact CE1-CB 3.62Å; F379-D409 HydrophobicContact CZ-CB 4.25Å; F379-D446 PolarHBondContact N-OD1 2.9Å; F379-D446 CarbonylContact O-C 3.58Å; F379-D446 VanDerWaalsContact O-CA 3.28Å; F379-D446 WeakPolarHBondContact O-CA 3.3Å; F379-F447 PolarHBondContact O-N 3.15Å
380	V	98.8	Very high	98	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	120.1	165.8	-169.1	0	0	0	0	108.2	I388 A391 I393 G408 Y410 A423 F447 L449	V380-I388 HydrophobicContact CG1-CB 4.21Å; V380-I388 HydrophobicContact CG1-CD1 4.36Å; V380-I388 PolarHBondContact O-N 3.42Å; V380-A391 HydrophobicContact CB-CB 3.97Å; V380-A391 HydrophobicContact CG1-CB 3.68Å; V380-A391 HydrophobicContact CG2-CB 4.07Å; V380-I393 HydrophobicContact CG2-CD1 3.92Å; V380-I393 HydrophobicContact CG2-CG1 4.37Å; V380-G408 PolarHBondContact N-O 3.43Å; V380-Y410 HydrophobicContact CG2-CD1 4.07Å; V380-Y410 HydrophobicContact CG2-CE1 4.39Å; V380-A423 HydrophobicContact CG1-CB 4.49Å; V380-A423 HydrophobicContact CG2-CB 4.37Å; V380-F447 CarbonylContact C-O 3.55Å; V380-F447 WeakPolarHBondContact CA-O 3.19Å; V380-F447 HydrophobicContact CG1-CB 4.33Å; V380-F447 HydrophobicContact CG2-CB 4.44Å; V380-L449 HydrophobicContact CG1-CD1 3.63Å; V380-L449 HydrophobicContact CG1-CG 3.85Å
381	R	98.6	Very high	98	Very high	84 Å²	84	39.1 Å²	39.1	32%	0.317	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	160.8	-176.8	-62.9	177.1	-176	-87.3	-7.4	110.7	F379 G385 N386 F447 E448 L449	F379-R381 HydrophobicContact CB-CG 4.31Å; R381-G385 PolarHBondContact NH1-O 3.09Å; R381-N386 CarbonylContact C-O 3.53Å; R381-N386 WeakPolarHBondContact CA-O 3.5Å; R381-N386 WeakPolarHBondContact CB-O 3.44Å; R381-F447 PolarHBondContact N-O 2.81Å; R381-E448 CarbonylContact O-C 3.49Å; R381-E448 VanDerWaalsContact O-CA 3.29Å; R381-E448 WeakPolarHBondContact O-CA 2.99Å; R381-L449 PolarHBondContact O-N 3.46Å
382	D	97.3	Very high	98	Very high	14 Å²	14	40.6 Å²	40.6	8%	0.075	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	176.4	164.1	66.3	19.2	0	0	0	111.3	Q384 G385 N386 I388 Y428 L449	D382-Q384 PolarHBondContact O-N 3.32Å; D382-Q384 WeakPolarHBondContact OD1-CA 3.29Å; D382-Q384 WeakPolarHBondContact OD1-CB 3.41Å; D382-Q384 PolarHBondContact OD1-N 3.37Å; D382-Q384 PolarHBondContact OD2-OE1 2.88Å; D382-G385 PolarHBondContact O-N 2.87Å; D382-G385 PolarHBondContact OD1-N 3.37Å; D382-N386 PolarHBondContact N-O 3.03Å; D382-N386 WeakPolarHBondContact OD1-CB 3.45Å; D382-N386 PolarHBondContact OD1-N 3.22Å; D382-N386 PolarHBondContact OD1-ND2 3.27Å; D382-N386 WeakPolarHBondContact OD2-CB 3.18Å; D382-N386 PolarHBondContact OD2-ND2 2.99Å; D382-I388 HydrophobicContact CB-CD1 4.19Å; D382-I388 HydrophobicContact CB-CG1 4.48Å; D382-Y428 HydrophobicContact CB-CE1 3.75Å; D382-L449 WeakPolarHBondContact CA-O 3.08Å
383	L	95.6	Very high	98	Very high	82 Å²	82	40.4 Å²	40.4	43%	0.429	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-14	178.5	-64.7	-177.9	0	0	0	113.7	G385 E448 E450	L383-G385 VanDerWaalsContact C-N 3.34Å; L383-E448 HydrophobicContact CD2-CB 4.31Å; L383-E450 HydrophobicContact CD1-CB 3.92Å; L383-E450 HydrophobicContact CD1-CG 3.86Å; L383-E450 HydrophobicContact CG-CB 4.37Å
384	Q	94.2	Very high	98	Very high	116 Å²	116	40.3 Å²	40.3	54%	0.542	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-1.1	173.5	-63.6	73.7	45.9	0	0	112.3	D382 N386 E454	D382-Q384 PolarHBondContact O-N 3.32Å; D382-Q384 WeakPolarHBondContact OD1-CA 3.29Å; D382-Q384 WeakPolarHBondContact OD1-CB 3.41Å; D382-Q384 PolarHBondContact OD1-N 3.37Å; D382-Q384 PolarHBondContact OD2-OE1 2.88Å; Q384-N386 VanDerWaalsContact C-N 3.34Å; Q384-E454 VanDerWaalsContact CD-OE1 3.31Å; Q384-E454 PolarHBondContact NE2-OE1 2.96Å; Q384-E454 PolarHBondContact OE1-OE1 3.44Å
385	G	95.6	Very high	98	Very high	34 Å²	34	40.3 Å²	40.3	35%	0.351	22%	0.223	S	C	.	.			trans	82.6	6	-179.3	0	0	0	0	0	114.5	R381 D382 L383	R381-G385 PolarHBondContact NH1-O 3.09Å; D382-G385 PolarHBondContact O-N 2.87Å; D382-G385 PolarHBondContact OD1-N 3.37Å; L383-G385 VanDerWaalsContact C-N 3.34Å
386	N	97.8	Very high	98	Very high	87 Å²	87	46.3 Å²	46.3	47%	0.465	25%	0.251	S	S	.	.			trans	-71.2	141.1	175.1	-51.3	-63.9	0	0	0	109.9	R381 D382 Q384	R381-N386 CarbonylContact C-O 3.53Å; R381-N386 WeakPolarHBondContact CA-O 3.5Å; R381-N386 WeakPolarHBondContact CB-O 3.44Å; D382-N386 PolarHBondContact N-O 3.03Å; D382-N386 WeakPolarHBondContact OD1-CB 3.45Å; D382-N386 PolarHBondContact OD1-N 3.22Å; D382-N386 PolarHBondContact OD1-ND2 3.27Å; D382-N386 WeakPolarHBondContact OD2-CB 3.18Å; D382-N386 PolarHBondContact OD2-ND2 2.99Å; Q384-N386 VanDerWaalsContact C-N 3.34Å
387	P	98.3	Very high	98	Very high	59 Å²	59	50.3 Å²	50.3	38%	0.383	29%	0.292	S	S	.	.	B	Isolated β-bridge	trans	-69.3	139.5	178.4	29.7	-34.9	0	0	0	111.8	D407	P387-D407 WeakPolarHBondContact CB-O 3.42Å
388	I	98.6	Very high	97.9	Very high	14 Å²	14	48.2 Å²	48.2	7%	0.072	28%	0.284	C	S	.	.			trans	-106.2	105.5	173.6	-56.4	176	0	0	0	108.5	V380 D382 A391 S404 A425 Y428 L449	V380-I388 HydrophobicContact CG1-CB 4.21Å; V380-I388 HydrophobicContact CG1-CD1 4.36Å; V380-I388 PolarHBondContact O-N 3.42Å; D382-I388 HydrophobicContact CB-CD1 4.19Å; D382-I388 HydrophobicContact CB-CG1 4.48Å; I388-A391 HydrophobicContact CG2-CB 4.04Å; I388-S404 PolarHBondContact O-OG 3.27Å; I388-A425 HydrophobicContact CG2-CB 3.74Å; I388-Y428 HydrophobicContact CD1-CD1 3.89Å; I388-Y428 HydrophobicContact CD1-CD2 4.24Å; I388-Y428 HydrophobicContact CD1-CE1 3.61Å; I388-Y428 HydrophobicContact CD1-CE2 3.99Å; I388-Y428 HydrophobicContact CD1-CG 4.19Å; I388-L449 HydrophobicContact CD1-CB 4.05Å; I388-L449 HydrophobicContact CD1-CD1 4.15Å; I388-L449 HydrophobicContact CD1-CG 4.29Å
389	A	98.1	Very high	97.9	Very high	43 Å²	43	52.1 Å²	52.1	36%	0.355	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	149.4	174.7	0	0	0	0	0	112	A391 A405	A389-A391 PolarHBondContact O-N 3.12Å; A389-A405 WeakPolarHBondContact CA-O 3.26Å; A389-A405 WeakPolarHBondContact CB-O 3.15Å
390	N	97.6	Very high	97.9	Very high	118 Å²	118	50.1 Å²	50.1	63%	0.631	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	25.3	-177.3	-49.1	-69.1	0	0	0	114.2	S404	N390-S404 WeakPolarHBondContact CA-O 3.5Å; N390-S404 PolarHBondContact N-O 2.73Å; N390-S404 PolarHBondContact N-OG 3.42Å
391	A	98.6	Very high	97.9	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	30%	0.302	C	S	.	.			trans	-68.4	141.2	166.1	0	0	0	0	0	108.9	V380 I388 A389 I393 T403 S404 S424 A425	V380-A391 HydrophobicContact CB-CB 3.97Å; V380-A391 HydrophobicContact CG1-CB 3.68Å; V380-A391 HydrophobicContact CG2-CB 4.07Å; I388-A391 HydrophobicContact CG2-CB 4.04Å; A389-A391 PolarHBondContact O-N 3.12Å; A391-I393 WeakPolarHBondContact O-CD1 3.22Å; A391-T403 CarbonylContact O-C 3.58Å; A391-T403 WeakPolarHBondContact O-CA 3.36Å; A391-S404 WeakPolarHBondContact CB-OG 3.17Å; A391-S404 PolarHBondContact N-OG 3.5Å; A391-S404 PolarHBondContact O-N 2.93Å; A391-S424 CarbonylContact C-O 3.47Å; A391-S424 WeakPolarHBondContact CA-O 3.28Å; A391-A425 HydrophobicContact CB-CB 4.03Å
392	T	98.8	Very high	97.9	Very high	38 Å²	38	47.6 Å²	47.6	23%	0.233	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	129.6	178.4	-58	0	0	0	0	110	D401 V402 A423 S424	T392-D401 HydrophobicContact CG2-CB 3.51Å; T392-V402 WeakPolarHBondContact CA-O 3.32Å; T392-A423 CarbonylContact O-C 3.58Å; T392-A423 WeakPolarHBondContact O-CA 3.33Å; T392-S424 PolarHBondContact N-O 3.18Å; T392-S424 PolarHBondContact O-N 2.81Å
393	I	98.9	Very high	98	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	107.8	171.5	-64.6	77.7	0	0	0	107.7	V380 A391 V402 Y410 L421 T422	V380-I393 HydrophobicContact CG2-CD1 3.92Å; V380-I393 HydrophobicContact CG2-CG1 4.37Å; A391-I393 WeakPolarHBondContact O-CD1 3.22Å; I393-V402 HydrophobicContact CB-CG2 3.82Å; I393-V402 HydrophobicContact CG2-CG2 4.28Å; I393-V402 PolarHBondContact N-O 3.03Å; I393-V402 PolarHBondContact O-N 2.86Å; I393-V402 VanDerWaalsContact O-N 3.1Å; I393-Y410 HydrophobicContact CB-CD2 4.22Å; I393-Y410 HydrophobicContact CB-CE2 4.42Å; I393-Y410 HydrophobicContact CD1-CD1 4.07Å; I393-Y410 HydrophobicContact CD1-CD2 4.12Å; I393-Y410 HydrophobicContact CD1-CG 3.73Å; I393-Y410 HydrophobicContact CG1-CD1 4.06Å; I393-Y410 HydrophobicContact CG1-CD2 3.72Å; I393-Y410 HydrophobicContact CG1-CE1 4.3Å; I393-Y410 HydrophobicContact CG1-CE2 3.98Å; I393-Y410 HydrophobicContact CG1-CG 3.77Å; I393-Y410 HydrophobicContact CG2-CD2 4.13Å; I393-Y410 HydrophobicContact CG2-CE2 3.89Å; I393-L421 HydrophobicContact CG2-CD2 4.03Å; I393-T422 WeakPolarHBondContact CA-O 3.39Å
394	S	98.8	Very high	98.1	Very high	31 Å²	31	43.9 Å²	43.9	22%	0.217	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	149.7	177.5	64.5	0	0	0	0	111.6	D401 L421 T422	S394-D401 VanDerWaalsContact CA-OD1 3.25Å; S394-D401 WeakPolarHBondContact CA-OD1 3.39Å; S394-D401 WeakPolarHBondContact CB-OD1 3.28Å; S394-L421 CarbonylContact O-C 3.52Å; S394-L421 VanDerWaalsContact O-CA 3.3Å; S394-L421 WeakPolarHBondContact O-CA 3.48Å; S394-T422 PolarHBondContact N-O 3.24Å; S394-T422 PolarHBondContact O-N 2.69Å; S394-T422 PolarHBondContact OG-O 3.45Å
395	V	98.8	Very high	98.3	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.024	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	122.2	178.9	-174.5	0	0	0	0	108.7	G397 I398 R412 L414 Y419 L421	V395-G397 PolarHBondContact O-N 2.76Å; V395-G397 VanDerWaalsContact O-N 3.09Å; V395-I398 HydrophobicContact CB-CB 4.29Å; V395-I398 HydrophobicContact CB-CD1 4.3Å; V395-I398 HydrophobicContact CB-CG1 4.5Å; V395-I398 HydrophobicContact CG1-CD1 3.97Å; V395-I398 HydrophobicContact CG1-CG1 4.32Å; V395-I398 PolarHBondContact O-N 3.23Å; V395-R412 HydrophobicContact CG2-CG 4.01Å; V395-L414 HydrophobicContact CG1-CD2 4.5Å; V395-L414 HydrophobicContact CG2-CD1 4.47Å; V395-L414 HydrophobicContact CG2-CD2 4.45Å; V395-Y419 HydrophobicContact CG1-CD1 3.52Å; V395-Y419 HydrophobicContact CG1-CE1 4.31Å; V395-Y419 HydrophobicContact CG1-CG 4.16Å; V395-L421 HydrophobicContact CG2-CG 4.28Å
396	E	98.6	Very high	98.4	Very high	127 Å²	127	45.7 Å²	45.7	59%	0.593	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	119.5	178.9	-172.7	176.4	131.3	0	0	110.3	K420	E396-K420 HydrophobicContact CB-CB 4.07Å; E396-K420 HydrophobicContact CB-CD 4.49Å; E396-K420 VanDerWaalsContact CD-NZ 3.26Å; E396-K420 PolarHBondContact N-O 3.36Å; E396-K420 IonicContact OE1-NZ 2.75Å; E396-K420 PolarHBondContact OE1-NZ 3.35Å; E396-K420 WeakPolarHBondContact OE2-CD 3.38Å; E396-K420 IonicContact OE2-NZ 3.96Å; E396-K420 PolarHBondContact OE2-NZ 3.2Å
397	G	97.9	Very high	98.4	Very high	84 Å²	84	44.2 Å²	44.2	87%	0.866	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.4	-1.9	-179.8	0	0	0	0	0	115.7	V395	V395-G397 PolarHBondContact O-N 2.76Å; V395-G397 VanDerWaalsContact O-N 3.09Å
398	I	98.6	Very high	98.4	Very high	29 Å²	29	41.4 Å²	41.4	15%	0.149	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	110.6	173.3	-53.7	175.7	0	0	0	108.7	P273 V395 H400 R412 L414 Y419	P273-I398 HydrophobicContact CB-CG2 4.02Å; V395-I398 HydrophobicContact CB-CB 4.29Å; V395-I398 HydrophobicContact CB-CD1 4.3Å; V395-I398 HydrophobicContact CB-CG1 4.5Å; V395-I398 HydrophobicContact CG1-CD1 3.97Å; V395-I398 HydrophobicContact CG1-CG1 4.32Å; V395-I398 PolarHBondContact O-N 3.23Å; I398-H400 PolarHBondContact O-N 3.17Å; I398-R412 VanDerWaalsContact CG2-NH2 3.26Å; I398-L414 HydrophobicContact CD1-CD2 3.55Å; I398-Y419 HydrophobicContact CD1-CE1 4.2Å
399	D	98	Very high	98.4	Very high	89 Å²	89	40.8 Å²	40.8	48%	0.476	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	57.2	-177.2	-168.1	22.7	0	0	0	112.3	N208 P273	N208-D399 WeakPolarHBondContact CB-O 3.37Å; N208-D399 PolarHBondContact ND2-OD1 3.4Å; P273-D399 VanDerWaalsContact CG-O 3.24Å; P273-D399 WeakPolarHBondContact CG-O 3.33Å
400	H	98.7	Very high	98.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	108.5	172.3	178.9	74.3	0	0	0	108.5	N208 P273 D274 Y331 I398 R412	N208-H400 PolarHBondContact O-ND1 3.49Å; P273-H400 HydrophobicContact CB-CB 3.92Å; P273-H400 HydrophobicContact CG-CB 4.14Å; D274-H400 IonicContact OD2-CD2 2.93Å; D274-H400 PolarHBondContact OD2-CD2 2.94Å; D274-H400 IonicContact OD2-CG 2.98Å; Y331-H400 AromaticContact CD2-CE1 3.96Å; Y331-H400 AromaticContact CD2-NE2 3.59Å; Y331-H400 AromaticContact CE1-ND1 3.92Å; Y331-H400 AromaticContact CE2-CD2 3.21Å; Y331-H400 WeakPolarHBondContact CE2-CD2 3.42Å; Y331-H400 AromaticContact CE2-CE1 3.72Å; Y331-H400 AromaticContact CE2-CG 3.79Å; Y331-H400 AromaticContact CE2-NE2 3.21Å; Y331-H400 WeakPolarHBondContact CE2-NE2 3.4Å; Y331-H400 AromaticContact CZ-CD2 3.36Å; Y331-H400 AromaticContact CZ-CE1 3.78Å; Y331-H400 AromaticContact CZ-CG 3.41Å; Y331-H400 VanDerWaalsContact CZ-CG 3.41Å; Y331-H400 AromaticContact CZ-ND1 3.67Å; Y331-H400 AromaticContact CZ-NE2 3.65Å; Y331-H400 PolarHBondContact O-CE1 3.02Å; Y331-H400 VanDerWaalsContact OH-CB 3.24Å; Y331-H400 WeakPolarHBondContact OH-CB 3.4Å; Y331-H400 PolarHBondContact OH-CD2 3.37Å; I398-H400 PolarHBondContact O-N 3.17Å; H400-R412 PolarHBondContact CD2-NH1 3.18Å; H400-R412 PolarHBondContact O-NH1 3.07Å; H400-R412 PolarHBondContact O-NH2 3.34Å; H400-R412 VanDerWaalsContact O-NH2 3.12Å
401	D	98.6	Very high	98.5	Very high	29 Å²	29	33.8 Å²	33.8	16%	0.155	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	158.2	-177.8	-49.5	-38.6	0	0	0	112.1	N208 N209 T392 S394	N208-D401 PolarHBondContact ND2-OD2 2.9Å; N208-D401 PolarHBondContact OD1-N 3.24Å; N208-D401 VanDerWaalsContact OD1-N 3.12Å; N208-D401 PolarHBondContact OD1-OD2 3.02Å; N209-D401 WeakPolarHBondContact CB-O 3.24Å; N209-D401 VanDerWaalsContact CG-O 3.3Å; T392-D401 HydrophobicContact CG2-CB 3.51Å; S394-D401 VanDerWaalsContact CA-OD1 3.25Å; S394-D401 WeakPolarHBondContact CA-OD1 3.39Å; S394-D401 WeakPolarHBondContact CB-OD1 3.28Å
402	V	98.8	Very high	98.6	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	165.9	166.7	-61	0	0	0	0	110.9	N335 T392 I393 Y410 R412	N335-V402 VanDerWaalsContact OD1-CA 3.31Å; N335-V402 WeakPolarHBondContact OD1-CA 3.45Å; N335-V402 WeakPolarHBondContact OD1-CB 3.44Å; T392-V402 WeakPolarHBondContact CA-O 3.32Å; I393-V402 HydrophobicContact CB-CG2 3.82Å; I393-V402 HydrophobicContact CG2-CG2 4.28Å; I393-V402 PolarHBondContact N-O 3.03Å; I393-V402 PolarHBondContact O-N 2.86Å; I393-V402 VanDerWaalsContact O-N 3.1Å; V402-Y410 HydrophobicContact CG2-CD2 4.43Å; V402-R412 HydrophobicContact CG2-CB 4.11Å
403	T	98.6	Very high	98.6	Very high	18 Å²	18	32.1 Å²	32.1	11%	0.11	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	149.5	176.5	62.6	0	0	0	0	112.4	H210 N335 A391	H210-T403 PolarHBondContact CE1-OG1 3.15Å; N335-T403 PolarHBondContact ND2-O 3.43Å; N335-T403 PolarHBondContact ND2-OG1 3.22Å; N335-T403 PolarHBondContact OD1-N 2.86Å; N335-T403 PolarHBondContact OD1-OG1 3.48Å; A391-T403 CarbonylContact O-C 3.58Å; A391-T403 WeakPolarHBondContact O-CA 3.36Å
404	S	98.8	Very high	98.6	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.007	18%	0.184	C	C	.	.			trans	-71.9	142.3	169.2	59.4	0	0	0	0	111.9	I388 N390 A391 G408 D409	I388-S404 PolarHBondContact O-OG 3.27Å; N390-S404 WeakPolarHBondContact CA-O 3.5Å; N390-S404 PolarHBondContact N-O 2.73Å; N390-S404 PolarHBondContact N-OG 3.42Å; A391-S404 WeakPolarHBondContact CB-OG 3.17Å; A391-S404 PolarHBondContact N-OG 3.5Å; A391-S404 PolarHBondContact O-N 2.93Å; S404-G408 WeakPolarHBondContact CB-O 3.25Å; S404-D409 CarbonylContact C-O 3.21Å; S404-D409 VanDerWaalsContact CA-O 3.23Å; S404-D409 WeakPolarHBondContact CA-O 3.42Å
405	A	98.3	Very high	98.5	Very high	15 Å²	15	33.4 Å²	33.4	12%	0.124	19%	0.187	C	C	.	.			trans	-75	-173.8	174.1	0	0	0	0	0	111.4	P240 A389 D407 G408 D409 W411	P240-A405 HydrophobicContact CB-CB 3.82Å; P240-A405 HydrophobicContact CG-CB 4.13Å; A389-A405 WeakPolarHBondContact CA-O 3.26Å; A389-A405 WeakPolarHBondContact CB-O 3.15Å; A405-D407 VanDerWaalsContact C-N 3.25Å; A405-D407 PolarHBondContact O-N 2.92Å; A405-G408 PolarHBondContact O-N 2.74Å; A405-D409 PolarHBondContact N-O 2.89Å; A405-W411 HydrophobicContact CB-CZ3 4.35Å
406	K	97.6	Very high	98.5	Very high	173 Å²	173	36.3 Å²	36.3	75%	0.752	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-35.6	-171.5	-176.2	-175.4	170.1	-164.1	0	113.1	G408	K406-G408 VanDerWaalsContact C-N 3.25Å; K406-G408 PolarHBondContact O-N 2.81Å
407	D	98.1	Very high	98.5	Very high	56 Å²	56	31.5 Å²	31.5	30%	0.299	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	15	-178.4	-62.1	-67.1	0	0	0	112.3	P102 P387 A405 D409	P102-D407 HydrophobicContact CB-CB 3.87Å; P102-D407 HydrophobicContact CG-CB 3.72Å; P387-D407 WeakPolarHBondContact CB-O 3.42Å; A405-D407 VanDerWaalsContact C-N 3.25Å; A405-D407 PolarHBondContact O-N 2.92Å; D407-D409 PolarHBondContact O-N 3.04Å
408	G	98.6	Very high	98.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	78	-3.6	177.2	0	0	0	0	0	113.6	F379 V380 S404 A405 K406	F379-G408 CarbonylContact C-O 3.55Å; F379-G408 WeakPolarHBondContact CA-O 3.33Å; V380-G408 PolarHBondContact N-O 3.43Å; S404-G408 WeakPolarHBondContact CB-O 3.25Å; A405-G408 PolarHBondContact O-N 2.74Å; K406-G408 VanDerWaalsContact C-N 3.25Å; K406-G408 PolarHBondContact O-N 2.81Å
409	D	98.8	Very high	98.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	147.9	175.6	49.7	-22.5	0	0	0	113.1	H100 P102 G103 G378 F379 S404 A405 D407 W411	H100-D409 IonicContact CE1-OD2 3.78Å; H100-D409 IonicContact NE2-OD2 2.82Å; H100-D409 PolarHBondContact NE2-OD2 2.88Å; H100-D409 VanDerWaalsContact NE2-OD2 3.1Å; P102-D409 VanDerWaalsContact CA-OD2 3.31Å; P102-D409 WeakPolarHBondContact CA-OD2 3.42Å; G103-D409 PolarHBondContact N-OD2 2.68Å; G378-D409 CarbonylContact O-C 3.5Å; G378-D409 WeakPolarHBondContact O-CA 3.34Å; F379-D409 HydrophobicContact CD1-CB 3.79Å; F379-D409 HydrophobicContact CE1-CB 3.62Å; F379-D409 HydrophobicContact CZ-CB 4.25Å; S404-D409 CarbonylContact C-O 3.21Å; S404-D409 VanDerWaalsContact CA-O 3.23Å; S404-D409 WeakPolarHBondContact CA-O 3.42Å; A405-D409 PolarHBondContact N-O 2.89Å; D407-D409 PolarHBondContact O-N 3.04Å; D409-W411 HydrophobicContact CB-CH2 4.07Å; D409-W411 HydrophobicContact CB-CZ2 4.28Å; D409-W411 WeakPolarHBondContact OD2-CH2 3.41Å; D409-W411 WeakPolarHBondContact OD2-CZ2 3.47Å
410	Y	98.9	Very high	98.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	158.3	178.3	76.1	-84	0	0	0	110.5	V376 K377 G378 V380 I393 V402 V445 F447	V376-Y410 HydrophobicContact CG1-CE2 4.14Å; V376-Y410 WeakPolarHBondContact CG1-OH 3.34Å; K377-Y410 VanDerWaalsContact CA-O 3.24Å; K377-Y410 WeakPolarHBondContact CA-O 3.23Å; K377-Y410 WeakPolarHBondContact CB-O 3.28Å; G378-Y410 VanDerWaalsContact C-CE1 3.41Å; G378-Y410 PolarHBondContact N-O 3.45Å; G378-Y410 VanDerWaalsContact N-O 3.13Å; G378-Y410 WeakPolarHBondContact O-CD1 3.39Å; G378-Y410 PolarHBondContact O-N 2.74Å; V380-Y410 HydrophobicContact CG2-CD1 4.07Å; V380-Y410 HydrophobicContact CG2-CE1 4.39Å; I393-Y410 HydrophobicContact CB-CD2 4.22Å; I393-Y410 HydrophobicContact CB-CE2 4.42Å; I393-Y410 HydrophobicContact CD1-CD1 4.07Å; I393-Y410 HydrophobicContact CD1-CD2 4.12Å; I393-Y410 HydrophobicContact CD1-CG 3.73Å; I393-Y410 HydrophobicContact CG1-CD1 4.06Å; I393-Y410 HydrophobicContact CG1-CD2 3.72Å; I393-Y410 HydrophobicContact CG1-CE1 4.3Å; I393-Y410 HydrophobicContact CG1-CE2 3.98Å; I393-Y410 HydrophobicContact CG1-CG 3.77Å; I393-Y410 HydrophobicContact CG2-CD2 4.13Å; I393-Y410 HydrophobicContact CG2-CE2 3.89Å; V402-Y410 HydrophobicContact CG2-CD2 4.43Å; Y410-V445 WeakPolarHBondContact CE1-O 3.4Å; Y410-V445 PolarHBondContact OH-O 3.45Å; Y410-F447 HydrophobicContact CE1-CD2 4.15Å; Y410-F447 HydrophobicContact CE1-CE2 4.29Å; Y410-F447 AromaticContact CZ-CE2 3.99Å; Y410-F447 WeakPolarHBondContact OH-CE2 3.38Å
411	W	98.9	Very high	98.6	Very high	14 Å²	14	33.8 Å²	33.8	5%	0.053	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	133.5	173.7	-53.1	-98.6	0	0	0	108.9	H100 G103 E104 P105 P240 V242 K377 A405 D409	H100-W411 AromaticContact CE1-CH2 3.59Å; H100-W411 AromaticContact NE2-CH2 3.88Å; G103-W411 PolarHBondContact O-NE1 3.02Å; E104-W411 VanDerWaalsContact C-CZ2 3.49Å; E104-W411 WeakPolarHBondContact O-CZ2 3.29Å; P105-W411 HydrophobicContact CB-CD2 4.33Å; P105-W411 HydrophobicContact CB-CG 4.21Å; P240-W411 HydrophobicContact CB-CZ3 4.3Å; V242-W411 HydrophobicContact CB-CB 4.39Å; V242-W411 HydrophobicContact CG1-CB 3.72Å; V242-W411 HydrophobicContact CG1-CG 4.45Å; V242-W411 HydrophobicContact CG2-CB 3.7Å; V242-W411 HydrophobicContact CG2-CD2 3.67Å; V242-W411 HydrophobicContact CG2-CE3 3.61Å; V242-W411 HydrophobicContact CG2-CG 3.72Å; V242-W411 HydrophobicContact CG2-CZ3 4.47Å; K377-W411 HydrophobicContact CB-CG 4.19Å; A405-W411 HydrophobicContact CB-CZ3 4.35Å; D409-W411 HydrophobicContact CB-CH2 4.07Å; D409-W411 HydrophobicContact CB-CZ2 4.28Å; D409-W411 WeakPolarHBondContact OD2-CH2 3.41Å; D409-W411 WeakPolarHBondContact OD2-CZ2 3.47Å
412	R	98.8	Very high	98.6	Very high	1 Å²	1	33.9 Å²	33.9	0%	0.004	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	103	178.7	-178.6	62.6	-163.6	-165.9	-6	109.4	D274 G375 V376 V395 I398 H400 V402 L414	D274-R412 IonicContact OD1-CZ 3.87Å; D274-R412 IonicContact OD1-NH2 3.58Å; D274-R412 PolarHBondContact OD1-NH2 3.33Å; D274-R412 IonicContact OD2-CZ 3.86Å; D274-R412 IonicContact OD2-NH1 3.25Å; D274-R412 IonicContact OD2-NH2 2.99Å; D274-R412 PolarHBondContact OD2-NH2 3.18Å; G375-R412 WeakPolarHBondContact CA-O 3.24Å; V376-R412 PolarHBondContact N-O 3.37Å; V376-R412 PolarHBondContact O-N 3.44Å; V395-R412 HydrophobicContact CG2-CG 4.01Å; I398-R412 VanDerWaalsContact CG2-NH2 3.26Å; H400-R412 PolarHBondContact CD2-NH1 3.18Å; H400-R412 PolarHBondContact O-NH1 3.07Å; H400-R412 PolarHBondContact O-NH2 3.34Å; H400-R412 VanDerWaalsContact O-NH2 3.12Å; V402-R412 HydrophobicContact CG2-CB 4.11Å; R412-L414 HydrophobicContact CG-CD1 4.16Å; R412-L414 HydrophobicContact CG-CD2 4.3Å; R412-L414 HydrophobicContact CG-CG 4.01Å; R412-L414 PolarHBondContact O-N 2.99Å
413	L	98.9	Very high	98.6	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.01	18%	0.179	C	C	.	.			trans	-66.6	128.6	175.9	-60.5	178.3	0	0	0	109.7	V242 L243 I277 L281 F337 R374	V242-L413 HydrophobicContact CG1-CD1 4.32Å; V242-L413 HydrophobicContact CG1-CD2 4.19Å; V242-L413 HydrophobicContact CG1-CG 4.08Å; L243-L413 HydrophobicContact CB-CD1 4.35Å; L243-L413 HydrophobicContact CD1-CD1 3.91Å; I277-L413 HydrophobicContact CG1-CB 4.11Å; L281-L413 HydrophobicContact CD1-CD1 4.28Å; F337-L413 HydrophobicContact CB-CD1 4.03Å; F337-L413 HydrophobicContact CD2-CD1 4.32Å; F337-L413 HydrophobicContact CG-CD1 4.06Å; R374-L413 WeakPolarHBondContact O-CD2 3.3Å
414	L	98.8	Very high	98.6	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.01	19%	0.186	C	C	.	.			trans	-145.1	151.4	-179.9	-66.6	171.4	0	0	0	109.5	V376 V395 I398 R412 Y419 V437	V376-L414 HydrophobicContact CG2-CD1 4.15Å; V395-L414 HydrophobicContact CG1-CD2 4.5Å; V395-L414 HydrophobicContact CG2-CD1 4.47Å; V395-L414 HydrophobicContact CG2-CD2 4.45Å; I398-L414 HydrophobicContact CD1-CD2 3.55Å; R412-L414 HydrophobicContact CG-CD1 4.16Å; R412-L414 HydrophobicContact CG-CD2 4.3Å; R412-L414 HydrophobicContact CG-CG 4.01Å; R412-L414 PolarHBondContact O-N 2.99Å; L414-Y419 HydrophobicContact CB-CE2 4.11Å; L414-Y419 HydrophobicContact CD1-CD1 4.36Å; L414-Y419 HydrophobicContact CD1-CD2 3.95Å; L414-Y419 HydrophobicContact CD1-CE2 4.11Å; L414-Y419 HydrophobicContact CD1-CG 4.07Å; L414-Y419 HydrophobicContact CD2-CE1 4.17Å; L414-V437 HydrophobicContact CB-CG1 4.29Å; L414-V437 HydrophobicContact CD1-CG2 4.23Å
415	I	98.5	Very high	98.6	Very high	56 Å²	56	35.4 Å²	35.4	29%	0.287	19%	0.191	S	C	.	.			trans	-74	164.5	167.7	61.5	168.1	0	0	0	110.3	A276 I277 G417 Y419	A276-I415 HydrophobicContact CB-CD1 3.99Å; I277-I415 HydrophobicContact CB-CG2 3.99Å; I277-I415 HydrophobicContact CD1-CG2 3.83Å; I415-G417 PolarHBondContact O-N 3.41Å; I415-Y419 VanDerWaalsContact CG1-OH 3.23Å; I415-Y419 WeakPolarHBondContact CG1-OH 3.47Å; I415-Y419 WeakPolarHBondContact O-CE2 3.14Å; I415-Y419 PolarHBondContact O-OH 2.92Å; I415-Y419 VanDerWaalsContact O-OH 3.14Å
416	P	98.7	Very high	98.5	Very high	66 Å²	66	40.6 Å²	40.6	43%	0.429	22%	0.223	S	C	.	.	S	Bend	trans	-56.4	132.4	172.9	-15.4	21.1	0	0	0	111.7	V437 Y439	P416-V437 CarbonylContact C-O 3.45Å; P416-V437 WeakPolarHBondContact CA-O 3.4Å; P416-Y439 HydrophobicContact CG-CD2 4.15Å
417	G	98.4	Very high	98.5	Very high	25 Å²	25	34.1 Å²	34.1	26%	0.258	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	171	177.5	-175.3	0	0	0	0	0	113.5	I415 A436 V437	I415-G417 PolarHBondContact O-N 3.41Å; G417-A436 CarbonylContact O-C 2.9Å; G417-V437 PolarHBondContact N-O 3.11Å; G417-V437 PolarHBondContact O-N 3.48Å
418	N	98.6	Very high	98.5	Very high	139 Å²	139	34.2 Å²	34.2	74%	0.743	20%	0.202	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-107.5	126.4	173.5	-65.9	-67.2	0	0	0	109.1	V435 A436	N418-V435 WeakPolarHBondContact CA-O 3.39Å; N418-A436 VanDerWaalsContact OD1-CB 3.31Å; N418-A436 WeakPolarHBondContact OD1-CB 3.22Å
419	Y	98.7	Very high	98.4	Very high	36 Å²	36	37.1 Å²	37.1	14%	0.141	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	157.3	-173.5	-61.7	-83.9	0	0	0	111.2	V395 I398 L414 I415 K434 V435 V437	V395-Y419 HydrophobicContact CG1-CD1 3.52Å; V395-Y419 HydrophobicContact CG1-CE1 4.31Å; V395-Y419 HydrophobicContact CG1-CG 4.16Å; I398-Y419 HydrophobicContact CD1-CE1 4.2Å; L414-Y419 HydrophobicContact CB-CE2 4.11Å; L414-Y419 HydrophobicContact CD1-CD1 4.36Å; L414-Y419 HydrophobicContact CD1-CD2 3.95Å; L414-Y419 HydrophobicContact CD1-CE2 4.11Å; L414-Y419 HydrophobicContact CD1-CG 4.07Å; L414-Y419 HydrophobicContact CD2-CE1 4.17Å; I415-Y419 VanDerWaalsContact CG1-OH 3.23Å; I415-Y419 WeakPolarHBondContact CG1-OH 3.47Å; I415-Y419 WeakPolarHBondContact O-CE2 3.14Å; I415-Y419 PolarHBondContact O-OH 2.92Å; I415-Y419 VanDerWaalsContact O-OH 3.14Å; Y419-K434 CarbonylContact O-C 3.47Å; Y419-K434 WeakPolarHBondContact O-CA 3.49Å; Y419-V435 PolarHBondContact N-O 2.74Å; Y419-V435 PolarHBondContact O-N 2.87Å; Y419-V437 HydrophobicContact CD2-CB 4.12Å; Y419-V437 HydrophobicContact CD2-CG2 3.63Å; Y419-V437 HydrophobicContact CE2-CB 4.01Å; Y419-V437 HydrophobicContact CE2-CG2 3.96Å
420	K	98.8	Very high	98.4	Very high	76 Å²	76	40 Å²	40	33%	0.33	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	118.6	162.2	-68.8	161.8	179.1	174.7	0	107.5	E396 T432 K433 K434	E396-K420 HydrophobicContact CB-CB 4.07Å; E396-K420 HydrophobicContact CB-CD 4.49Å; E396-K420 VanDerWaalsContact CD-NZ 3.26Å; E396-K420 PolarHBondContact N-O 3.36Å; E396-K420 IonicContact OE1-NZ 2.75Å; E396-K420 PolarHBondContact OE1-NZ 3.35Å; E396-K420 WeakPolarHBondContact OE2-CD 3.38Å; E396-K420 IonicContact OE2-NZ 3.96Å; E396-K420 PolarHBondContact OE2-NZ 3.2Å; K420-T432 HydrophobicContact CB-CG2 4.02Å; K420-K433 CarbonylContact C-O 3.58Å; K420-K433 VanDerWaalsContact CA-O 3.32Å; K420-K433 WeakPolarHBondContact CA-O 3.2Å; K420-K434 HydrophobicContact CG-CG 3.8Å
421	L	98.7	Very high	98.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	137.1	177.4	-71.5	83.2	0	0	0	108.8	V376 I393 S394 V395 T432 K433 V435 F447	V376-L421 HydrophobicContact CB-CD2 4.14Å; V376-L421 HydrophobicContact CG1-CD2 3.85Å; V376-L421 HydrophobicContact CG2-CD2 4.23Å; I393-L421 HydrophobicContact CG2-CD2 4.03Å; S394-L421 CarbonylContact O-C 3.52Å; S394-L421 VanDerWaalsContact O-CA 3.3Å; S394-L421 WeakPolarHBondContact O-CA 3.48Å; V395-L421 HydrophobicContact CG2-CG 4.28Å; L421-T432 CarbonylContact O-C 3.36Å; L421-T432 WeakPolarHBondContact O-CA 3.45Å; L421-K433 PolarHBondContact N-O 2.85Å; L421-K433 PolarHBondContact O-N 2.81Å; L421-V435 HydrophobicContact CD1-CB 4.29Å; L421-V435 HydrophobicContact CD1-CG1 3.15Å; L421-F447 HydrophobicContact CB-CZ 3.85Å
422	T	98.9	Very high	98.3	Very high	31 Å²	31	45.9 Å²	45.9	19%	0.19	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	122.7	173.3	-56.3	0	0	0	0	109.5	I393 S394 A430 I431 T432	I393-T422 WeakPolarHBondContact CA-O 3.39Å; S394-T422 PolarHBondContact N-O 3.24Å; S394-T422 PolarHBondContact O-N 2.69Å; S394-T422 PolarHBondContact OG-O 3.45Å; T422-A430 HydrophobicContact CG2-CB 3.98Å; T422-I431 CarbonylContact C-O 3.51Å; T422-I431 VanDerWaalsContact CA-O 3.26Å; T422-I431 WeakPolarHBondContact CA-O 3.23Å; T422-T432 PolarHBondContact OG1-OG1 3.22Å
423	A	98.9	Very high	98.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	135.9	167.5	0	0	0	0	0	109.5	V380 T392 A430 I431 F447 L449	V380-A423 HydrophobicContact CG1-CB 4.49Å; V380-A423 HydrophobicContact CG2-CB 4.37Å; T392-A423 CarbonylContact O-C 3.58Å; T392-A423 WeakPolarHBondContact O-CA 3.33Å; A423-A430 VanDerWaalsContact O-CA 3.26Å; A423-A430 WeakPolarHBondContact O-CA 3.38Å; A423-I431 PolarHBondContact N-O 2.88Å; A423-I431 PolarHBondContact O-N 2.8Å; A423-F447 HydrophobicContact CB-CB 3.65Å; A423-F447 HydrophobicContact CB-CD1 3.46Å; A423-F447 VanDerWaalsContact CB-CD1 3.46Å; A423-F447 HydrophobicContact CB-CD2 3.64Å; A423-F447 HydrophobicContact CB-CE1 3.91Å; A423-F447 HydrophobicContact CB-CE2 4.06Å; A423-F447 HydrophobicContact CB-CG 3.3Å; A423-F447 HydrophobicContact CB-CZ 4.19Å; A423-L449 HydrophobicContact CB-CD2 4.16Å
424	S	98.6	Very high	98.3	Very high	39 Å²	39	58 Å²	58	27%	0.273	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	148.6	177.7	65	0	0	0	0	110.8	A391 T392	A391-S424 CarbonylContact C-O 3.47Å; A391-S424 WeakPolarHBondContact CA-O 3.28Å; T392-S424 PolarHBondContact N-O 3.18Å; T392-S424 PolarHBondContact O-N 2.81Å
425	A	98.3	Very high	98.3	Very high	13 Å²	13	58.6 Å²	58.6	11%	0.107	33%	0.333	C	S	.	.			trans	-147.4	148.5	175.9	0	0	0	0	0	110.1	I388 A391 G427 Y428 L449	I388-A425 HydrophobicContact CG2-CB 3.74Å; A391-A425 HydrophobicContact CB-CB 4.03Å; A425-G427 PolarHBondContact O-N 3.13Å; A425-Y428 HydrophobicContact CB-CD2 3.88Å; A425-Y428 HydrophobicContact CB-CG 4.42Å; A425-Y428 PolarHBondContact O-N 3.38Å; A425-L449 HydrophobicContact CB-CD1 4Å
426	P	96.9	Very high	98.3	Very high	123 Å²	123	58.9 Å²	58.9	80%	0.799	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	123.9	174.8	-25.3	34.7	0	0	0	111.6	Y428	P426-Y428 WeakPolarHBondContact O-CD2 3.3Å
427	G	96.4	Very high	98.3	Very high	38 Å²	38	56.1 Å²	56.1	39%	0.392	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.4	-1.8	-178.8	0	0	0	0	0	115.2	A425 S451 F452	A425-G427 PolarHBondContact O-N 3.13Å; G427-S451 WeakPolarHBondContact O-CA 3.48Å; G427-F452 WeakPolarHBondContact O-CD2 3.27Å; G427-F452 PolarHBondContact O-N 2.91Å
428	Y	97.9	Very high	98.3	Very high	57 Å²	57	57.6 Å²	57.6	22%	0.224	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-123.5	154	-177	-65.1	-95.5	0	0	0	112.7	D382 I388 A425 P426 L449 E450 F452	D382-Y428 HydrophobicContact CB-CE1 3.75Å; I388-Y428 HydrophobicContact CD1-CD1 3.89Å; I388-Y428 HydrophobicContact CD1-CD2 4.24Å; I388-Y428 HydrophobicContact CD1-CE1 3.61Å; I388-Y428 HydrophobicContact CD1-CE2 3.99Å; I388-Y428 HydrophobicContact CD1-CG 4.19Å; A425-Y428 HydrophobicContact CB-CD2 3.88Å; A425-Y428 HydrophobicContact CB-CG 4.42Å; A425-Y428 PolarHBondContact O-N 3.38Å; P426-Y428 WeakPolarHBondContact O-CD2 3.3Å; Y428-L449 HydrophobicContact CD1-CB 3.74Å; Y428-L449 WeakPolarHBondContact CD1-O 3.32Å; Y428-L449 HydrophobicContact CG-CB 4.06Å; Y428-E450 CarbonylContact C-O 3.58Å; Y428-E450 VanDerWaalsContact CA-O 3.3Å; Y428-E450 WeakPolarHBondContact CA-O 3.36Å; Y428-F452 VanDerWaalsContact O-CZ 3.23Å; Y428-F452 WeakPolarHBondContact O-CZ 3.43Å
429	L	97.3	Very high	98.1	Very high	61 Å²	61	57 Å²	57	32%	0.319	32%	0.319	S	S	.	.			trans	-74	132.2	169.5	-71.3	166.3	0	0	0	110.1	E450 F452 R455	L429-E450 HydrophobicContact CD1-CB 4.27Å; L429-E450 HydrophobicContact CD1-CG 4.29Å; L429-E450 WeakPolarHBondContact CD1-OE2 3.29Å; L429-E450 PolarHBondContact N-O 3.4Å; L429-F452 HydrophobicContact CD2-CD1 4.01Å; L429-F452 HydrophobicContact CD2-CE1 3.62Å; L429-F452 HydrophobicContact CG-CD1 3.96Å; L429-F452 HydrophobicContact CG-CE1 3.84Å; L429-R455 HydrophobicContact CD1-CB 4.13Å; L429-R455 HydrophobicContact CD1-CG 4.01Å
430	A	97.9	Very high	97.8	Very high	60 Å²	60	58.2 Å²	58.2	50%	0.496	33%	0.333	S	S	.	.			trans	-74.4	143.6	178.2	0	0	0	0	0	111.3	T422 A423	T422-A430 HydrophobicContact CG2-CB 3.98Å; A423-A430 VanDerWaalsContact O-CA 3.26Å; A423-A430 WeakPolarHBondContact O-CA 3.38Å
431	I	98.3	Very high	97.7	Very high	55 Å²	55	59.1 Å²	59.1	28%	0.282	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	131.7	179	-64.9	-176.7	0	0	0	110.1	T422 A423 K433 F447 E448 L449	T422-I431 CarbonylContact C-O 3.51Å; T422-I431 VanDerWaalsContact CA-O 3.26Å; T422-I431 WeakPolarHBondContact CA-O 3.23Å; A423-I431 PolarHBondContact N-O 2.88Å; A423-I431 PolarHBondContact O-N 2.8Å; I431-K433 HydrophobicContact CG2-CG 4.3Å; I431-F447 HydrophobicContact CB-CD1 4.25Å; I431-F447 HydrophobicContact CG2-CD1 4.11Å; I431-F447 WeakPolarHBondContact O-CE1 3.46Å; I431-E448 WeakPolarHBondContact CD1-O 3.33Å; I431-L449 HydrophobicContact CB-CD2 4.07Å; I431-L449 HydrophobicContact CD1-CD2 4.03Å; I431-L449 HydrophobicContact CG1-CD2 3.93Å
432	T	98.7	Very high	97.6	Very high	83 Å²	83	60.1 Å²	60.1	51%	0.509	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	129.3	175.2	-53.1	0	0	0	0	111.3	K420 L421 T422	K420-T432 HydrophobicContact CB-CG2 4.02Å; L421-T432 CarbonylContact O-C 3.36Å; L421-T432 WeakPolarHBondContact O-CA 3.45Å; T422-T432 PolarHBondContact OG1-OG1 3.22Å
433	K	98.7	Very high	97.6	Very high	85 Å²	85	60.6 Å²	60.6	37%	0.37	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	146	174	-67.5	-173.7	178	-173.1	0	110.7	K420 L421 I431 V445 D446 F447	K420-K433 CarbonylContact C-O 3.58Å; K420-K433 VanDerWaalsContact CA-O 3.32Å; K420-K433 WeakPolarHBondContact CA-O 3.2Å; L421-K433 PolarHBondContact N-O 2.85Å; L421-K433 PolarHBondContact O-N 2.81Å; I431-K433 HydrophobicContact CG2-CG 4.3Å; K433-V445 HydrophobicContact CB-CG1 4.35Å; K433-V445 HydrophobicContact CD-CG1 4.02Å; K433-D446 WeakPolarHBondContact CE-O 3.29Å; K433-D446 PolarHBondContact NZ-O 3.05Å; K433-F447 HydrophobicContact CB-CE1 4.03Å; K433-F447 HydrophobicContact CB-CZ 4.35Å; K433-F447 HydrophobicContact CD-CD1 4.16Å; K433-F447 HydrophobicContact CD-CE1 3.97Å; K433-F447 HydrophobicContact CG-CD1 4.3Å; K433-F447 HydrophobicContact CG-CE1 3.8Å
434	K	98.6	Very high	97.6	Very high	173 Å²	173	63.5 Å²	63.5	75%	0.752	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.4	137.8	171	-69	177.2	-174.9	177.8	0	109.4	Y419 K420	Y419-K434 CarbonylContact O-C 3.47Å; Y419-K434 WeakPolarHBondContact O-CA 3.49Å; K420-K434 HydrophobicContact CG-CG 3.8Å
435	V	98.4	Very high	97.6	Very high	15 Å²	15	62.4 Å²	62.4	9%	0.091	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	144	177.7	69.5	0	0	0	0	110.8	V376 N418 Y419 L421 V437 V443 V445	V376-V435 HydrophobicContact CG2-CG1 4Å; V376-V435 HydrophobicContact CG2-CG2 4.46Å; N418-V435 WeakPolarHBondContact CA-O 3.39Å; Y419-V435 PolarHBondContact N-O 2.74Å; Y419-V435 PolarHBondContact O-N 2.87Å; L421-V435 HydrophobicContact CD1-CB 4.29Å; L421-V435 HydrophobicContact CD1-CG1 3.15Å; V435-V437 HydrophobicContact CG1-CG2 4.05Å; V435-V443 HydrophobicContact CG2-CB 4.03Å; V435-V443 HydrophobicContact CG2-CG1 3.72Å; V435-V443 HydrophobicContact CG2-CG2 4.39Å; V435-V445 HydrophobicContact CB-CG2 4.15Å; V435-V445 HydrophobicContact CG2-CG2 3.72Å
436	A	98.6	Very high	97.6	Very high	62 Å²	62	65.7 Å²	65.7	51%	0.512	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	113.3	167.8	0	0	0	0	0	108.3	G417 N418	G417-A436 CarbonylContact O-C 2.9Å; N418-A436 VanDerWaalsContact OD1-CB 3.31Å; N418-A436 WeakPolarHBondContact OD1-CB 3.22Å
437	V	98.5	Very high	97.7	Very high	7 Å²	7	59.9 Å²	59.9	4%	0.042	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	120.8	-179.5	175.5	0	0	0	0	108.8	V376 L414 P416 G417 Y419 V435	V376-V437 HydrophobicContact CG2-CG2 3.56Å; L414-V437 HydrophobicContact CB-CG1 4.29Å; L414-V437 HydrophobicContact CD1-CG2 4.23Å; P416-V437 CarbonylContact C-O 3.45Å; P416-V437 WeakPolarHBondContact CA-O 3.4Å; G417-V437 PolarHBondContact N-O 3.11Å; G417-V437 PolarHBondContact O-N 3.48Å; Y419-V437 HydrophobicContact CD2-CB 4.12Å; Y419-V437 HydrophobicContact CD2-CG2 3.63Å; Y419-V437 HydrophobicContact CE2-CB 4.01Å; Y419-V437 HydrophobicContact CE2-CG2 3.96Å; V435-V437 HydrophobicContact CG1-CG2 4.05Å
438	P	97.9	Very high	97.8	Very high	56 Å²	56	64 Å²	64	36%	0.364	37%	0.365	S	S	.	.			trans	-79.6	-176.3	170.6	36.8	-35	0	0	0	110.3	P441 V443	P438-P441 WeakPolarHBondContact CG-O 3.49Å; P438-V443 HydrophobicContact CG-CG2 4.12Å
439	Y	94.4	Very high	97.8	Very high	127 Å²	127	61.2 Å²	61.2	50%	0.498	36%	0.355	S	S	.	.	S	Bend	trans	-65.7	-48	173.5	-178.8	-101.1	0	0	0	112.9	R374 P416	R374-Y439 VanDerWaalsContact CG-O 3.32Å; R374-Y439 WeakPolarHBondContact CG-O 3.29Å; R374-Y439 VanDerWaalsContact CZ-CE2 3.49Å; R374-Y439 PolarHBondContact NE-O 3.33Å; P416-Y439 HydrophobicContact CG-CD2 4.15Å
440	S	93.6	Very high	97.8	Very high	62 Å²	62	59.8 Å²	59.8	43%	0.434	35%	0.346	S	S	.	.	S	Bend	trans	-166.6	150.3	177.1	-179.6	0	0	0	0	107.6
441	P	96.1	Very high	97.6	Very high	94 Å²	94	57.5 Å²	57.5	61%	0.61	33%	0.327	S	S	*	.	S	Bend	cis	-77.9	173.9	-4.7	34.5	-36.6	0	0	0	113	H373 P438	H373-P441 CarbonylContact O-C 3.48Å; P438-P441 WeakPolarHBondContact CG-O 3.49Å
442	A	97.6	Very high	97.3	Very high	22 Å²	22	59.7 Å²	59.7	18%	0.182	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-60.5	142.9	174.9	0	0	0	0	0	111.3	H373 G375 K377	H373-A442 WeakPolarHBondContact O-CB 3.46Å; H373-A442 PolarHBondContact O-N 2.97Å; G375-A442 CarbonylContact O-C 3.49Å; G375-A442 VanDerWaalsContact O-CA 3.22Å; G375-A442 WeakPolarHBondContact O-CA 3.39Å; K377-A442 HydrophobicContact CG-CB 4.3Å
443	V	98.6	Very high	96.8	Very high	41 Å²	41	59.3 Å²	59.3	25%	0.248	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	131.8	178.7	-171.3	0	0	0	0	110	G375 V376 K377 V435 P438 V445	G375-V443 PolarHBondContact O-N 2.94Å; V376-V443 WeakPolarHBondContact CA-O 3.49Å; V376-V443 WeakPolarHBondContact CG1-O 3.45Å; K377-V443 PolarHBondContact N-O 3.18Å; K377-V443 VanDerWaalsContact O-O 3.12Å; V435-V443 HydrophobicContact CG2-CB 4.03Å; V435-V443 HydrophobicContact CG2-CG1 3.72Å; V435-V443 HydrophobicContact CG2-CG2 4.39Å; P438-V443 HydrophobicContact CG-CG2 4.12Å; V443-V445 HydrophobicContact CG1-CG2 4.25Å; V443-V445 PolarHBondContact O-N 2.62Å
444	G	98.6	Very high	96.3	Very high	60 Å²	60	56.8 Å²	56.8	62%	0.619	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.3	120.2	170.9	0	0	0	0	0	111.7	K377	K377-G444 CarbonylContact O-C 3.3Å; K377-G444 VanDerWaalsContact O-CA 3.22Å; K377-G444 WeakPolarHBondContact O-CA 3.45Å
445	V	98.7	Very high	95.9	Very high	16 Å²	16	52.7 Å²	52.7	10%	0.097	30%	0.304	C	S	.	.			trans	-136.5	100.5	175.1	-177	0	0	0	0	109.6	V376 K377 Y410 K433 V435 V443 F447	V376-V445 HydrophobicContact CG1-CB 3.71Å; V376-V445 HydrophobicContact CG1-CG2 3.62Å; K377-V445 PolarHBondContact O-N 3.39Å; Y410-V445 WeakPolarHBondContact CE1-O 3.4Å; Y410-V445 PolarHBondContact OH-O 3.45Å; K433-V445 HydrophobicContact CB-CG1 4.35Å; K433-V445 HydrophobicContact CD-CG1 4.02Å; V435-V445 HydrophobicContact CB-CG2 4.15Å; V435-V445 HydrophobicContact CG2-CG2 3.72Å; V443-V445 HydrophobicContact CG1-CG2 4.25Å; V443-V445 PolarHBondContact O-N 2.62Å; V445-F447 HydrophobicContact CG1-CD2 4.49Å; V445-F447 HydrophobicContact CG1-CE2 3.8Å; V445-F447 HydrophobicContact CG1-CZ 3.89Å
446	D	98.8	Very high	95.3	Very high	82 Å²	82	59 Å²	59	44%	0.439	33%	0.33	S	S	.	.			trans	-87.7	154.2	175.9	-58.5	-36.6	0	0	0	111.4	G378 F379 K433	G378-D446 WeakPolarHBondContact CA-OD1 3.14Å; F379-D446 PolarHBondContact N-OD1 2.9Å; F379-D446 CarbonylContact O-C 3.58Å; F379-D446 VanDerWaalsContact O-CA 3.28Å; F379-D446 WeakPolarHBondContact O-CA 3.3Å; K433-D446 WeakPolarHBondContact CE-O 3.29Å; K433-D446 PolarHBondContact NZ-O 3.05Å
447	F	98.8	Very high	94.8	Very high	1 Å²	1	62.3 Å²	62.3	0%	0.004	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	130.8	175.5	-66.1	-90.6	0	0	0	110	F379 V380 R381 Y410 L421 A423 I431 K433 V445 L449	F379-F447 PolarHBondContact O-N 3.15Å; V380-F447 CarbonylContact C-O 3.55Å; V380-F447 WeakPolarHBondContact CA-O 3.19Å; V380-F447 HydrophobicContact CG1-CB 4.33Å; V380-F447 HydrophobicContact CG2-CB 4.44Å; R381-F447 PolarHBondContact N-O 2.81Å; Y410-F447 HydrophobicContact CE1-CD2 4.15Å; Y410-F447 HydrophobicContact CE1-CE2 4.29Å; Y410-F447 AromaticContact CZ-CE2 3.99Å; Y410-F447 WeakPolarHBondContact OH-CE2 3.38Å; L421-F447 HydrophobicContact CB-CZ 3.85Å; A423-F447 HydrophobicContact CB-CB 3.65Å; A423-F447 HydrophobicContact CB-CD1 3.46Å; A423-F447 VanDerWaalsContact CB-CD1 3.46Å; A423-F447 HydrophobicContact CB-CD2 3.64Å; A423-F447 HydrophobicContact CB-CE1 3.91Å; A423-F447 HydrophobicContact CB-CE2 4.06Å; A423-F447 HydrophobicContact CB-CG 3.3Å; A423-F447 HydrophobicContact CB-CZ 4.19Å; I431-F447 HydrophobicContact CB-CD1 4.25Å; I431-F447 HydrophobicContact CG2-CD1 4.11Å; I431-F447 WeakPolarHBondContact O-CE1 3.46Å; K433-F447 HydrophobicContact CB-CE1 4.03Å; K433-F447 HydrophobicContact CB-CZ 4.35Å; K433-F447 HydrophobicContact CD-CD1 4.16Å; K433-F447 HydrophobicContact CD-CE1 3.97Å; K433-F447 HydrophobicContact CG-CD1 4.3Å; K433-F447 HydrophobicContact CG-CE1 3.8Å; V445-F447 HydrophobicContact CG1-CD2 4.49Å; V445-F447 HydrophobicContact CG1-CE2 3.8Å; V445-F447 HydrophobicContact CG1-CZ 3.89Å; F447-L449 HydrophobicContact CB-CD2 4.24Å
448	E	98.2	Very high	94.3	Very high	124 Å²	124	65.9 Å²	65.9	58%	0.579	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.1	105.9	175.1	-68.5	175.6	-179.7	0	0	107.6	R381 L383 I431	R381-E448 CarbonylContact O-C 3.49Å; R381-E448 VanDerWaalsContact O-CA 3.29Å; R381-E448 WeakPolarHBondContact O-CA 2.99Å; L383-E448 HydrophobicContact CD2-CB 4.31Å; I431-E448 WeakPolarHBondContact CD1-O 3.33Å
449	L	98	Very high	93.8	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	131.1	-173.4	-51.7	-174.4	0	0	0	110.9	V380 R381 D382 I388 A423 A425 Y428 I431 F447	V380-L449 HydrophobicContact CG1-CD1 3.63Å; V380-L449 HydrophobicContact CG1-CG 3.85Å; R381-L449 PolarHBondContact O-N 3.46Å; D382-L449 WeakPolarHBondContact CA-O 3.08Å; I388-L449 HydrophobicContact CD1-CB 4.05Å; I388-L449 HydrophobicContact CD1-CD1 4.15Å; I388-L449 HydrophobicContact CD1-CG 4.29Å; A423-L449 HydrophobicContact CB-CD2 4.16Å; A425-L449 HydrophobicContact CB-CD1 4Å; Y428-L449 HydrophobicContact CD1-CB 3.74Å; Y428-L449 WeakPolarHBondContact CD1-O 3.32Å; Y428-L449 HydrophobicContact CG-CB 4.06Å; I431-L449 HydrophobicContact CB-CD2 4.07Å; I431-L449 HydrophobicContact CD1-CD2 4.03Å; I431-L449 HydrophobicContact CG1-CD2 3.93Å; F447-L449 HydrophobicContact CB-CD2 4.24Å
450	E	96.7	Very high	93.6	Very high	30 Å²	30	68.2 Å²	68.2	14%	0.14	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-81.2	132.9	172.7	-176.7	-172.2	177.8	0	0	110.2	L383 Y428 L429 E454 R455	L383-E450 HydrophobicContact CD1-CB 3.92Å; L383-E450 HydrophobicContact CD1-CG 3.86Å; L383-E450 HydrophobicContact CG-CB 4.37Å; Y428-E450 CarbonylContact C-O 3.58Å; Y428-E450 VanDerWaalsContact CA-O 3.3Å; Y428-E450 WeakPolarHBondContact CA-O 3.36Å; L429-E450 HydrophobicContact CD1-CB 4.27Å; L429-E450 HydrophobicContact CD1-CG 4.29Å; L429-E450 WeakPolarHBondContact CD1-OE2 3.29Å; L429-E450 PolarHBondContact N-O 3.4Å; E450-E454 HydrophobicContact CG-CB 4.25Å; E450-R455 WeakPolarHBondContact OE1-CA 3.33Å; E450-R455 VanDerWaalsContact OE1-CB 3.28Å; E450-R455 WeakPolarHBondContact OE1-CB 3.27Å; E450-R455 WeakPolarHBondContact OE1-CD 3.45Å; E450-R455 PolarHBondContact OE1-N 2.94Å; E450-R455 IonicContact OE2-NH1 3.27Å
451	S	95	Very high	93.5	Very high	12 Å²	12	71.7 Å²	71.7	8%	0.084	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-76.6	151.2	175.6	73.1	0	0	0	0	111.7	G427 S453 E454 R455	G427-S451 WeakPolarHBondContact O-CA 3.48Å; S451-S453 PolarHBondContact O-N 2.67Å; S451-S453 VanDerWaalsContact O-N 3.17Å; S451-S453 PolarHBondContact OG-OG 3.44Å; S451-E454 WeakPolarHBondContact CA-OE2 3.4Å; S451-E454 VanDerWaalsContact CB-OE2 3.24Å; S451-E454 WeakPolarHBondContact CB-OE2 3.32Å; S451-E454 PolarHBondContact N-OE2 2.86Å; S451-E454 PolarHBondContact O-N 3.21Å; S451-E454 WeakPolarHBondContact OG-CB 3.18Å; S451-E454 WeakPolarHBondContact OG-CG 3.21Å; S451-E454 PolarHBondContact OG-N 3.12Å; S451-E454 PolarHBondContact OG-OE2 2.58Å; S451-R455 PolarHBondContact O-N 3.1Å; S451-R455 VanDerWaalsContact O-N 3.08Å
452	F	91.6	Very high	93.2	Very high	102 Å²	102	72.6 Å²	72.6	45%	0.447	37%	0.365	S	S	.	.	H	α-helix	trans	-63.2	-22	175	-61	-45.2	0	0	0	113.7	G427 Y428 L429 K456	G427-F452 WeakPolarHBondContact O-CD2 3.27Å; G427-F452 PolarHBondContact O-N 2.91Å; Y428-F452 VanDerWaalsContact O-CZ 3.23Å; Y428-F452 WeakPolarHBondContact O-CZ 3.43Å; L429-F452 HydrophobicContact CD2-CD1 4.01Å; L429-F452 HydrophobicContact CD2-CE1 3.62Å; L429-F452 HydrophobicContact CG-CD1 3.96Å; L429-F452 HydrophobicContact CG-CE1 3.84Å; F452-K456 WeakPolarHBondContact O-CG 3.45Å; F452-K456 PolarHBondContact O-N 3.12Å
453	S	88.1	Confident	92.8	Very high	74 Å²	74	76.2 Å²	76.2	52%	0.517	38%	0.381	S	S	.	.	H	α-helix	trans	-70.7	-47.9	173.9	31.2	0	0	0	0	111.6	S451 R455 K456 E457	S451-S453 PolarHBondContact O-N 2.67Å; S451-S453 VanDerWaalsContact O-N 3.17Å; S451-S453 PolarHBondContact OG-OG 3.44Å; S453-R455 VanDerWaalsContact C-N 3.33Å; S453-R455 PolarHBondContact O-N 2.98Å; S453-K456 PolarHBondContact O-N 2.76Å; S453-E457 PolarHBondContact O-N 2.91Å; S453-E457 VanDerWaalsContact O-N 3.14Å
454	E	87.2	Confident	92.4	Very high	33 Å²	33	80.3 Å²	80.3	15%	0.154	40%	0.399	C	S	.	.	H	α-helix	trans	-61.2	-46.1	178.1	-71	156.7	156.4	0	0	110.3	Q384 E450 S451 K456 E457 E458	Q384-E454 VanDerWaalsContact CD-OE1 3.31Å; Q384-E454 PolarHBondContact NE2-OE1 2.96Å; Q384-E454 PolarHBondContact OE1-OE1 3.44Å; E450-E454 HydrophobicContact CG-CB 4.25Å; S451-E454 WeakPolarHBondContact CA-OE2 3.4Å; S451-E454 VanDerWaalsContact CB-OE2 3.24Å; S451-E454 WeakPolarHBondContact CB-OE2 3.32Å; S451-E454 PolarHBondContact N-OE2 2.86Å; S451-E454 PolarHBondContact O-N 3.21Å; S451-E454 WeakPolarHBondContact OG-CB 3.18Å; S451-E454 WeakPolarHBondContact OG-CG 3.21Å; S451-E454 PolarHBondContact OG-N 3.12Å; S451-E454 PolarHBondContact OG-OE2 2.58Å; E454-K456 PolarHBondContact O-N 3.29Å; E454-K456 VanDerWaalsContact O-N 3.16Å; E454-E457 WeakPolarHBondContact O-CA 3.45Å; E454-E457 WeakPolarHBondContact O-CB 3.46Å; E454-E457 PolarHBondContact O-N 2.81Å; E454-E458 PolarHBondContact O-N 3.13Å
455	R	89.7	Confident	92	Very high	86 Å²	86	83.9 Å²	83.9	33%	0.325	40%	0.4	S	S	.	.	H	α-helix	trans	-54.3	-40.5	177.4	-174.4	65.6	-171.1	178.2	11.7	113.2	L429 E450 S451 S453 E459	L429-R455 HydrophobicContact CD1-CB 4.13Å; L429-R455 HydrophobicContact CD1-CG 4.01Å; E450-R455 WeakPolarHBondContact OE1-CA 3.33Å; E450-R455 VanDerWaalsContact OE1-CB 3.28Å; E450-R455 WeakPolarHBondContact OE1-CB 3.27Å; E450-R455 WeakPolarHBondContact OE1-CD 3.45Å; E450-R455 PolarHBondContact OE1-N 2.94Å; E450-R455 IonicContact OE2-NH1 3.27Å; S451-R455 PolarHBondContact O-N 3.1Å; S451-R455 VanDerWaalsContact O-N 3.08Å; S453-R455 VanDerWaalsContact C-N 3.33Å; S453-R455 PolarHBondContact O-N 2.98Å; R455-E459 IonicContact NE-OE1 3.46Å; R455-E459 PolarHBondContact NE-OE1 3.39Å; R455-E459 WeakPolarHBondContact O-CB 3.47Å; R455-E459 VanDerWaalsContact O-CG 3.25Å; R455-E459 WeakPolarHBondContact O-CG 3.49Å; R455-E459 PolarHBondContact O-N 3.35Å
456	K	87.5	Confident	91.6	Very high	147 Å²	147	89.6 Å²	89.6	64%	0.639	42%	0.42	S	S	*	.	H	α-helix	trans	-70.5	-33.1	178	-77.2	176.8	-179.5	179.2	0	112.8	F452 S453 E454 K460	F452-K456 WeakPolarHBondContact O-CG 3.45Å; F452-K456 PolarHBondContact O-N 3.12Å; S453-K456 PolarHBondContact O-N 2.76Å; E454-K456 PolarHBondContact O-N 3.29Å; E454-K456 VanDerWaalsContact O-N 3.16Å; K456-K460 WeakPolarHBondContact O-CB 3.33Å; K456-K460 PolarHBondContact O-N 3.05Å; K456-K460 VanDerWaalsContact O-N 3.16Å
457	E	87.9	Confident	91	Very high	133 Å²	133	93.5 Å²	93.5	62%	0.621	43%	0.428	S	S	*	.	H	α-helix	trans	-70.1	-45.3	175	-71.8	-177.6	175.5	0	0	110.3	S453 E454 K460 E461	S453-E457 PolarHBondContact O-N 2.91Å; S453-E457 VanDerWaalsContact O-N 3.14Å; E454-E457 WeakPolarHBondContact O-CA 3.45Å; E454-E457 WeakPolarHBondContact O-CB 3.46Å; E454-E457 PolarHBondContact O-N 2.81Å; E457-K460 WeakPolarHBondContact O-CB 3.44Å; E457-K460 PolarHBondContact O-N 3.5Å; E457-K460 VanDerWaalsContact O-N 3.16Å; E457-E461 WeakPolarHBondContact O-CG 3.35Å; E457-E461 PolarHBondContact O-N 3.16Å
458	E	86.6	Confident	90.5	Very high	81 Å²	81	99.6 Å²	99.6	38%	0.379	46%	0.455	S	S	.	.	H	α-helix	trans	-58.6	-48.9	173.4	-70.9	-170.1	172.5	0	0	111.7	E454 K460 E461 E462	E454-E458 PolarHBondContact O-N 3.13Å; E458-K460 PolarHBondContact O-N 2.83Å; E458-E461 PolarHBondContact O-N 3.39Å; E458-E462 WeakPolarHBondContact O-CG 3.47Å; E458-E462 PolarHBondContact O-N 3.22Å
459	E	89	Confident	90	Very high	87 Å²	87	99.4 Å²	99.4	41%	0.407	46%	0.455	S	S	.	.	H	α-helix	trans	-58.5	-35.4	177.1	-77.8	173.6	-177.6	0	0	112.3	R455 L463	R455-E459 IonicContact NE-OE1 3.46Å; R455-E459 PolarHBondContact NE-OE1 3.39Å; R455-E459 WeakPolarHBondContact O-CB 3.47Å; R455-E459 VanDerWaalsContact O-CG 3.25Å; R455-E459 WeakPolarHBondContact O-CG 3.49Å; R455-E459 PolarHBondContact O-N 3.35Å; E459-L463 VanDerWaalsContact O-CB 3.3Å; E459-L463 WeakPolarHBondContact O-CB 3.44Å; E459-L463 WeakPolarHBondContact O-CD1 3.42Å; E459-L463 VanDerWaalsContact O-CG 3.32Å; E459-L463 WeakPolarHBondContact O-CG 3.41Å; E459-L463 PolarHBondContact O-N 2.88Å
460	K	89.4	Confident	89.5	Confident	145 Å²	145	102.5 Å²	102.5	63%	0.63	47%	0.471	S	S	*	.	H	α-helix	trans	-70.7	-40.3	176	-177.3	-174.6	172.6	-167.7	0	111.4	K456 E457 E458 M464	K456-K460 WeakPolarHBondContact O-CB 3.33Å; K456-K460 PolarHBondContact O-N 3.05Å; K456-K460 VanDerWaalsContact O-N 3.16Å; E457-K460 WeakPolarHBondContact O-CB 3.44Å; E457-K460 PolarHBondContact O-N 3.5Å; E457-K460 VanDerWaalsContact O-N 3.16Å; E458-K460 PolarHBondContact O-N 2.83Å; K460-M464 WeakPolarHBondContact O-CB 3.37Å; K460-M464 WeakPolarHBondContact O-CG 3.25Å; K460-M464 PolarHBondContact O-N 3.02Å
461	E	90.6	Very high	88.8	Confident	136 Å²	136	103.6 Å²	103.6	64%	0.636	48%	0.482	S	S	*	.	H	α-helix	trans	-65.6	-47	175.4	-71.8	-173.2	170.6	0	0	111.4	E457 E458 L463 M464 E465	E457-E461 WeakPolarHBondContact O-CG 3.35Å; E457-E461 PolarHBondContact O-N 3.16Å; E458-E461 PolarHBondContact O-N 3.39Å; E461-L463 VanDerWaalsContact C-N 3.32Å; E461-L463 PolarHBondContact O-N 3.35Å; E461-M464 WeakPolarHBondContact O-CB 3.01Å; E461-M464 PolarHBondContact O-N 3.25Å; E461-E465 PolarHBondContact O-N 3.12Å
462	E	90.4	Very high	88.2	Confident	112 Å²	112	109.1 Å²	109.1	52%	0.523	51%	0.506	S	S	.	.	H	α-helix	trans	-56.9	-44	174.4	-72.7	-176.8	166.4	0	0	111.6	E458 E465 W466	E458-E462 WeakPolarHBondContact O-CG 3.47Å; E458-E462 PolarHBondContact O-N 3.22Å; E462-E465 PolarHBondContact O-N 3.25Å; E462-W466 WeakPolarHBondContact O-CB 3.05Å; E462-W466 PolarHBondContact O-N 2.03Å
463	L	90.6	Very high	87.6	Confident	99 Å²	99	109.3 Å²	109.3	52%	0.518	52%	0.516	S	S	.	.	H	α-helix	trans	-60.8	-46.3	174	-86.4	161.3	0	0	0	111.4	E459 E461 W466 W467	E459-L463 VanDerWaalsContact O-CB 3.3Å; E459-L463 WeakPolarHBondContact O-CB 3.44Å; E459-L463 WeakPolarHBondContact O-CD1 3.42Å; E459-L463 VanDerWaalsContact O-CG 3.32Å; E459-L463 WeakPolarHBondContact O-CG 3.41Å; E459-L463 PolarHBondContact O-N 2.88Å; E461-L463 VanDerWaalsContact C-N 3.32Å; E461-L463 PolarHBondContact O-N 3.35Å; L463-W466 PolarHBondContact O-N 3.4Å; L463-W467 PolarHBondContact O-N 3.05Å
464	M	88.4	Confident	87	Confident	126 Å²	126	110.9 Å²	110.9	62%	0.621	52%	0.518	S	S	*	.	H	α-helix	trans	-64.4	-40.1	179.6	-73.3	-69.6	-66.8	0	0	112.1	K460 E461 W467 K468	K460-M464 WeakPolarHBondContact O-CB 3.37Å; K460-M464 WeakPolarHBondContact O-CG 3.25Å; K460-M464 PolarHBondContact O-N 3.02Å; E461-M464 WeakPolarHBondContact O-CB 3.01Å; E461-M464 PolarHBondContact O-N 3.25Å; M464-W467 PolarHBondContact O-N 2.95Å; M464-K468 WeakPolarHBondContact O-CB 3.5Å; M464-K468 PolarHBondContact O-N 2.7Å
465	E	90.2	Very high	85.7	Confident	136 Å²	136	116.7 Å²	116.7	64%	0.636	55%	0.55	S	S	*	*	H	α-helix	trans	-64.8	-43.9	173.7	-74.2	-162.2	152	0	0	111.9	E461 E462 W467 K468 M469	E461-E465 PolarHBondContact O-N 3.12Å; E462-E465 PolarHBondContact O-N 3.25Å; E465-W467 VanDerWaalsContact C-N 3.35Å; E465-W467 PolarHBondContact O-N 3.41Å; E465-K468 WeakPolarHBondContact O-CB 3.38Å; E465-K468 PolarHBondContact O-N 2.93Å; E465-M469 WeakPolarHBondContact O-CG 3.39Å; E465-M469 PolarHBondContact O-N 3.49Å
466	W	90.1	Very high	84.2	Confident	135 Å²	135	124 Å²	124	51%	0.511	59%	0.585	S	S	.	*	H	α-helix	trans	-59.3	-45.9	174.6	179.4	86.9	0	0	0	111.5	E462 L463 K468 M469 M470	E462-W466 WeakPolarHBondContact O-CB 3.05Å; E462-W466 PolarHBondContact O-N 2.03Å; L463-W466 PolarHBondContact O-N 3.4Å; W466-K468 VanDerWaalsContact C-N 3.32Å; W466-K468 PolarHBondContact O-N 3.31Å; W466-M469 PolarHBondContact O-N 2.66Å; W466-M470 HydrophobicContact CD2-CG 3.86Å; W466-M470 VanDerWaalsContact CE2-CG 3.49Å; W466-M470 HydrophobicContact CE3-CG 4.25Å; W466-M470 HydrophobicContact CG-CG 4.4Å; W466-M470 HydrophobicContact CH2-CG 4.04Å; W466-M470 HydrophobicContact CZ2-CE 4.3Å; W466-M470 HydrophobicContact CZ2-CG 3.61Å; W466-M470 HydrophobicContact CZ2-SD 4.3Å; W466-M470 HydrophobicContact CZ3-CG 4.33Å; W466-M470 WeakPolarHBondContact O-CB 3.24Å; W466-M470 VanDerWaalsContact O-CG 3.28Å; W466-M470 WeakPolarHBondContact O-CG 3.49Å; W466-M470 PolarHBondContact O-N 3.16Å
467	W	87.6	Confident	84	Confident	165 Å²	165	122.9 Å²	122.9	63%	0.625	58%	0.582	S	S	*	*	H	α-helix	trans	-59.4	-42.8	175.2	-86.1	106.8	0	0	0	111.8	L463 M464 E465 M470 S471	L463-W467 PolarHBondContact O-N 3.05Å; M464-W467 PolarHBondContact O-N 2.95Å; E465-W467 VanDerWaalsContact C-N 3.35Å; E465-W467 PolarHBondContact O-N 3.41Å; W467-M470 PolarHBondContact O-N 3.49Å; W467-S471 WeakPolarHBondContact O-CB 3.38Å; W467-S471 PolarHBondContact O-N 3.02Å; W467-S471 PolarHBondContact O-OG 2.66Å
468	K	88.6	Confident	83.8	Confident	128 Å²	128	122.3 Å²	122.3	56%	0.557	58%	0.58	S	S	*	*	H	α-helix	trans	-61.3	-51.7	176.1	-174.1	-176.6	175.4	-170.8	0	111.2	M464 E465 W466 M470 S471 E472	M464-K468 WeakPolarHBondContact O-CB 3.5Å; M464-K468 PolarHBondContact O-N 2.7Å; E465-K468 WeakPolarHBondContact O-CB 3.38Å; E465-K468 PolarHBondContact O-N 2.93Å; W466-K468 VanDerWaalsContact C-N 3.32Å; W466-K468 PolarHBondContact O-N 3.31Å; K468-M470 VanDerWaalsContact C-N 3.33Å; K468-M470 PolarHBondContact O-N 2.77Å; K468-S471 PolarHBondContact O-N 3.01Å; K468-S471 PolarHBondContact O-OG 3.01Å; K468-E472 VanDerWaalsContact CE-OE1 3.3Å; K468-E472 WeakPolarHBondContact CE-OE1 3.24Å; K468-E472 WeakPolarHBondContact O-CG 3.39Å; K468-E472 PolarHBondContact O-N 3.2Å
469	M	87.6	Confident	83.6	Confident	120 Å²	120	124.6 Å²	124.6	59%	0.591	59%	0.591	S	S	*	*	H	α-helix	trans	-58.4	-43.7	177.3	-74.8	-176.1	63.4	0	0	112.3	E465 W466 E472 T473	E465-M469 WeakPolarHBondContact O-CG 3.39Å; E465-M469 PolarHBondContact O-N 3.49Å; W466-M469 PolarHBondContact O-N 2.66Å; M469-E472 PolarHBondContact O-N 2.96Å; M469-T473 WeakPolarHBondContact O-CB 3.16Å; M469-T473 PolarHBondContact O-N 3.48Å; M469-T473 PolarHBondContact O-OG1 2.72Å
470	M	86.1	Confident	83.3	Confident	66 Å²	66	126.8 Å²	126.8	33%	0.325	60%	0.602	S	S	.	*	H	α-helix	trans	-67.3	-37.5	179	-72.6	-58.8	-70.2	0	0	112.1	W466 W467 K468 T473 L474	W466-M470 HydrophobicContact CD2-CG 3.86Å; W466-M470 VanDerWaalsContact CE2-CG 3.49Å; W466-M470 HydrophobicContact CE3-CG 4.25Å; W466-M470 HydrophobicContact CG-CG 4.4Å; W466-M470 HydrophobicContact CH2-CG 4.04Å; W466-M470 HydrophobicContact CZ2-CE 4.3Å; W466-M470 HydrophobicContact CZ2-CG 3.61Å; W466-M470 HydrophobicContact CZ2-SD 4.3Å; W466-M470 HydrophobicContact CZ3-CG 4.33Å; W466-M470 WeakPolarHBondContact O-CB 3.24Å; W466-M470 VanDerWaalsContact O-CG 3.28Å; W466-M470 WeakPolarHBondContact O-CG 3.49Å; W466-M470 PolarHBondContact O-N 3.16Å; W467-M470 PolarHBondContact O-N 3.49Å; K468-M470 VanDerWaalsContact C-N 3.33Å; K468-M470 PolarHBondContact O-N 2.77Å; M470-T473 PolarHBondContact O-N 2.91Å; M470-L474 HydrophobicContact CE-CD1 3.58Å; M470-L474 HydrophobicContact CE-CG 4.24Å; M470-L474 VanDerWaalsContact O-CB 3.25Å; M470-L474 WeakPolarHBondContact O-CB 3.48Å; M470-L474 WeakPolarHBondContact O-CG 3.45Å; M470-L474 PolarHBondContact O-N 3.07Å
471	S	82.6	Confident	82.9	Confident	53 Å²	53	125.7 Å²	125.7	37%	0.371	60%	0.6	S	S	.	*	H	α-helix	trans	-63.6	-42.6	174.3	69.4	0	0	0	0	112.3	W467 K468 T473 N475	W467-S471 WeakPolarHBondContact O-CB 3.38Å; W467-S471 PolarHBondContact O-N 3.02Å; W467-S471 PolarHBondContact O-OG 2.66Å; K468-S471 PolarHBondContact O-N 3.01Å; K468-S471 PolarHBondContact O-OG 3.01Å; S471-T473 VanDerWaalsContact C-N 3.35Å; S471-T473 PolarHBondContact O-N 2.93Å; S471-N475 PolarHBondContact O-N 3.05Å
472	E	82.8	Confident	82.4	Confident	128 Å²	128	125 Å²	125	60%	0.598	60%	0.598	S	S	*	*	H	α-helix	trans	-67.7	-33.1	176.8	-70.1	174.8	-174.6	0	0	112.4	K468 M469	K468-E472 VanDerWaalsContact CE-OE1 3.3Å; K468-E472 WeakPolarHBondContact CE-OE1 3.24Å; K468-E472 WeakPolarHBondContact O-CG 3.39Å; K468-E472 PolarHBondContact O-N 3.2Å; M469-E472 PolarHBondContact O-N 2.96Å
473	T	78.3	Confident	81.8	Confident	106 Å²	106	125.9 Å²	125.9	65%	0.65	60%	0.603	S	S	*	*	H	α-helix	trans	-83.5	-31.1	-178.2	-48	0	0	0	0	112.8	M469 M470 S471	M469-T473 WeakPolarHBondContact O-CB 3.16Å; M469-T473 PolarHBondContact O-N 3.48Å; M469-T473 PolarHBondContact O-OG1 2.72Å; M470-T473 PolarHBondContact O-N 2.91Å; S471-T473 VanDerWaalsContact C-N 3.35Å; S471-T473 PolarHBondContact O-N 2.93Å
474	L	75.7	Confident	81.2	Confident	106 Å²	106	128 Å²	128	56%	0.555	61%	0.609	S	S	*	*	H	α-helix	trans	-95.8	2.7	-176.3	-68.1	172	0	0	0	114.4	M470 F476	M470-L474 HydrophobicContact CE-CD1 3.58Å; M470-L474 HydrophobicContact CE-CG 4.24Å; M470-L474 VanDerWaalsContact O-CB 3.25Å; M470-L474 WeakPolarHBondContact O-CB 3.48Å; M470-L474 WeakPolarHBondContact O-CG 3.45Å; M470-L474 PolarHBondContact O-N 3.07Å; L474-F476 HydrophobicContact CB-CD2 4.34Å; L474-F476 PolarHBondContact O-N 3.12Å
475	N	58.8	Low	80.6	Confident	156 Å²	156	128.2 Å²	128.2	83%	0.834	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	51.8	49.9	-178.6	-88.3	-15.3	0	0	0	113.2	S471	S471-N475 PolarHBondContact O-N 3.05Å
476	F	58.2	Low	79.7	Confident	239 Å²	239	127.5 Å²	127.5	100%	1.048	61%	0.606	S	S	*	*			trans	-96.4	0	164.8	-92.1	-79	0	0	0	111.6	L474	L474-F476 HydrophobicContact CB-CD2 4.34Å; L474-F476 PolarHBondContact O-N 3.12Å

Retrieved 476 of 476 residues in 302.7 ms (Link to these results)

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