A0A087X9Y1_POEFO Loading...

Phosphatidylinositol-3,5-bisphosphate 3-phosphatase MTMR2

Lipid phosphatase that specifically dephosphorylates the D-3 position of phosphatidylinositol 3-phosphate and phosphatidylinositol 3,5-bisphosphate, generating phosphatidylinositol and phosphatidylinositol 5-phosphate. Regulates the level of these phosphoinositides critical for various biological processes including autophagy initiation and autophagosome maturation.

AlphaFold DB , UniProt , Accession A0A087X9Y1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 651 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	35.6	Very low	31.7	Very low	243 Å²	243	136.7 Å²	136.7	100%	1.197	81%	0.807	S	S	*	*				0	138.8	0	-111.2	168.1	159.8	0	0	106.9
2	E	34.6	Very low	31.5	Very low	184 Å²	184	136 Å²	136	86%	0.86	81%	0.814	S	S	*	*			trans	74.4	94.9	-176.4	-57.8	-171.1	151.5	0	0	115.3
3	K	33.5	Very low	31.7	Very low	187 Å²	187	141.1 Å²	141.1	81%	0.813	82%	0.819	S	S	*	*				84.1	101.7	76.4	-89.1	-170.4	176.5	-179.5	0	111.1
4	S	33.8	Very low	32.4	Very low	115 Å²	115	140.2 Å²	140.2	80%	0.804	82%	0.82	S	S	*	*				80.4	133.5	98.8	68.9	0	0	0	0	112
5	G	32.6	Very low	32.1	Very low	66 Å²	66	137.7 Å²	137.7	68%	0.68	81%	0.813	S	S	*	*			cis	151.4	175.2	16.6	0	0	0	0	0	108
6	S	30.1	Very low	31.9	Very low	121 Å²	121	135.4 Å²	135.4	85%	0.846	81%	0.807	S	S	*	*			trans	96.9	117.1	169.1	-45.5	0	0	0	0	115.5
7	V	33.2	Very low	31.7	Very low	119 Å²	119	142 Å²	142	72%	0.721	81%	0.814	S	S	*	*			cis	108.1	125.8	29.1	170.6	0	0	0	0	110.8
8	D	31.2	Very low	31.7	Very low	143 Å²	143	143.4 Å²	143.4	77%	0.765	81%	0.812	S	S	*	*			trans	68.9	147.7	155	-68.7	-17.7	0	0	0	120.2
9	S	29.1	Very low	32	Very low	84 Å²	84	142.6 Å²	142.6	59%	0.587	81%	0.814	S	S	*	*			cis	-178.7	158.9	-1.9	-108.4	0	0	0	0	108.9
10	L	28.6	Very low	31.8	Very low	176 Å²	176	139 Å²	139	92%	0.921	80%	0.797	S	S	*	*			trans	60.8	135.5	151.3	-59.5	157.6	0	0	0	117.9
11	G	26.5	Very low	31.7	Very low	66 Å²	66	139.6 Å²	139.6	68%	0.68	80%	0.803	S	S	*	*			cis	161.5	139.2	21.1	0	0	0	0	0	104.8
12	S	28.7	Very low	31.4	Very low	128 Å²	128	135 Å²	135	90%	0.895	78%	0.784	S	S	*	*				157.2	143.6	93	45.2	0	0	0	0	108.8
13	K	35	Very low	31.3	Very low	202 Å²	202	131.6 Å²	131.6	88%	0.878	78%	0.78	S	S	*	*			trans	-87.7	170.8	175.8	-68.9	179.1	170.3	177.1	0	111.5
14	P	41.1	Very low	30.9	Very low	129 Å²	129	131.5 Å²	131.5	84%	0.838	79%	0.788	S	S	*	*				-143.6	170.3	87.5	33.3	-12.9	0	0	0	112
15	S	28	Very low	30.5	Very low	102 Å²	102	131 Å²	131	71%	0.713	78%	0.784	S	S	*	*			cis	-165.6	139.7	37.8	63.3	0	0	0	0	110
16	S	29.1	Very low	30.3	Very low	101 Å²	101	133.1 Å²	133.1	71%	0.706	79%	0.788	S	S	*	*				78.3	109.3	113	76.2	0	0	0	0	118.5
17	R	28.2	Very low	30.2	Very low	248 Å²	248	133.2 Å²	133.2	94%	0.936	78%	0.784	S	S	*	*				177.1	132.3	98.9	-95.9	-179.5	176.9	-178	-1	111.2
18	Q	30.9	Very low	29.9	Very low	167 Å²	167	132.1 Å²	132.1	78%	0.78	78%	0.781	S	S	*	*			trans	-90.3	172.3	173.3	-126.5	-178.6	4.5	0	0	109
19	P	37.4	Very low	29.7	Very low	129 Å²	129	132.2 Å²	132.2	84%	0.838	79%	0.787	S	S	*	*				-144.6	164.1	63.8	33.9	-11.3	0	0	0	117.9
20	S	28.8	Very low	29.6	Very low	70 Å²	70	133.3 Å²	133.3	49%	0.49	80%	0.795	S	S	.	*			trans	-90.7	163.9	179.8	45.4	0	0	0	0	113.3
21	V	30	Very low	29.5	Very low	152 Å²	152	137 Å²	137	92%	0.921	80%	0.797	S	S	*	*			trans	-143.1	132.7	146	-160.5	0	0	0	0	109.6
22	D	29	Very low	29.5	Very low	147 Å²	147	138.8 Å²	138.8	79%	0.786	80%	0.799	S	S	*	*			trans	-91.3	161.5	-170.5	-76.5	-53.8	0	0	0	115.3
23	S	31.5	Very low	29.4	Very low	112 Å²	112	140 Å²	140	78%	0.783	80%	0.795	S	S	*	*			trans	-67.7	156.1	166.7	-48.7	0	0	0	0	114.1
24	L	25.6	Very low	29	Very low	185 Å²	185	141.1 Å²	141.1	97%	0.969	79%	0.794	S	S	*	*			trans	-144.6	146.7	156.1	-84.4	174.3	0	0	0	112.3
25	S	26.7	Very low	28.2	Very low	105 Å²	105	140.5 Å²	140.5	73%	0.734	79%	0.793	S	S	*	*			trans	-128.8	163.9	-178.9	60.7	0	0	0	0	111.6
26	S	27.7	Very low	28.1	Very low	110 Å²	110	140.6 Å²	140.6	77%	0.769	80%	0.8	S	S	*	*			trans	82.1	145	164.1	82.3	0	0	0	0	117.4
27	T	27.5	Very low	27.9	Very low	122 Å²	122	145.4 Å²	145.4	75%	0.748	81%	0.811	S	S	*	*			cis	-164.6	152.3	7.6	-17.5	0	0	0	0	111.1
28	S	27.2	Very low	27.8	Very low	96 Å²	96	138.3 Å²	138.3	67%	0.671	81%	0.805	S	S	*	*			trans	23.1	138.4	148.5	57.3	0	0	0	0	125.4
29	T	26.3	Very low	27.6	Very low	145 Å²	145	140 Å²	140	89%	0.89	81%	0.81	S	S	*	*				-174.4	157.7	105.9	25.7	0	0	0	0	113.2
30	S	27.3	Very low	27.1	Very low	107 Å²	107	139.4 Å²	139.4	75%	0.748	81%	0.806	S	S	*	*			trans	-85.2	159.2	-159.5	54.1	0	0	0	0	117.8
31	R	26.2	Very low	27.1	Very low	254 Å²	254	141.9 Å²	141.9	96%	0.958	82%	0.821	S	S	*	*			trans	-160.1	136.5	134.3	-107.1	174.3	-172.7	-171.6	1.3	111.7
32	S	28.2	Very low	26.8	Very low	104 Å²	104	139.4 Å²	139.4	73%	0.727	81%	0.81	S	S	*	*			trans	-98.8	145	-178.1	49.3	0	0	0	0	111.4
33	D	25.2	Very low	26.9	Very low	153 Å²	153	139.1 Å²	139.1	82%	0.818	81%	0.814	S	S	*	*			trans	-159.5	125.5	140.9	-100.5	-31.4	0	0	0	114.4
34	R	27.4	Very low	26.6	Very low	226 Å²	226	141.7 Å²	141.7	85%	0.853	82%	0.818	S	S	*	*			trans	13.9	123.1	152.1	-73.5	177.6	172.8	-162.4	-1.8	124
35	S	24.1	Very low	26.6	Very low	115 Å²	115	137.5 Å²	137.5	80%	0.804	80%	0.803	S	S	*	*				52.7	118	125.7	70.8	0	0	0	0	122
36	A	25.3	Very low	26.5	Very low	104 Å²	104	137.9 Å²	137.9	86%	0.86	81%	0.806	S	S	*	*				-161.4	136.3	127.5	0	0	0	0	0	110.9
37	Q	25.3	Very low	26.5	Very low	203 Å²	203	139.6 Å²	139.6	95%	0.949	81%	0.807	S	S	*	*			trans	-67.2	137.6	177.7	-70.3	162.2	-36	0	0	111.9
38	A	25.8	Very low	26.6	Very low	99 Å²	99	137.9 Å²	137.9	82%	0.818	80%	0.8	S	S	*	*			trans	-147.4	115.3	153.3	0	0	0	0	0	109.5
39	K	26.9	Very low	26.8	Very low	202 Å²	202	138 Å²	138	88%	0.878	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-66	137.3	169.6	-71.5	174.7	173	178.1	0	109.3
40	P	27.2	Very low	27.2	Very low	116 Å²	116	132.3 Å²	132.3	75%	0.753	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-84.8	148.5	158	32.4	-25.5	0	0	0	109.7
41	P	27.6	Very low	27.8	Very low	123 Å²	123	128.8 Å²	128.8	80%	0.799	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-75.4	154.8	-174.2	31.9	-33.4	0	0	0	112.1
42	S	24.7	Very low	28.4	Very low	100 Å²	100	117.4 Å²	117.4	70%	0.699	70%	0.696	S	S	*	*			trans	-40.5	132.3	172.2	46.8	0	0	0	0	115.7
43	V	31.5	Very low	28.5	Very low	141 Å²	141	114.7 Å²	114.7	86%	0.855	68%	0.68	S	S	*	*			trans	19.6	104.8	131.6	-171.5	0	0	0	0	114.8
44	L	24.1	Very low	29.1	Very low	166 Å²	166	112.1 Å²	112.1	87%	0.869	66%	0.663	S	S	*	*			trans	-112.4	133	156	-87.5	157.2	0	0	0	108.1	S46	L44-S46 PolarHBondContact O-N 3.42Å
45	S	26.6	Very low	29.6	Very low	96 Å²	96	105.5 Å²	105.5	67%	0.671	64%	0.64	S	S	*	*			trans	-53.9	124.3	-170.2	49.3	0	0	0	0	113.1
46	S	25	Very low	30	Very low	114 Å²	114	102 Å²	102	80%	0.797	62%	0.616	S	S	*	*			trans	-81.4	108.3	159.6	56	0	0	0	0	108.2	L44 S48	L44-S46 PolarHBondContact O-N 3.42Å; S46-S48 PolarHBondContact O-N 2.77Å
47	D	26.3	Very low	30.4	Very low	146 Å²	146	99 Å²	99	78%	0.781	59%	0.587	S	S	*	*			trans	-62.3	119.6	170.6	-69.6	-33.6	0	0	0	109.4	V49	D47-V49 PolarHBondContact O-N 3.4Å
48	S	29.9	Very low	30.8	Very low	86 Å²	86	94.6 Å²	94.6	60%	0.601	57%	0.567	S	S	*	*			trans	-83.2	104.4	179.5	47.1	0	0	0	0	110.4	S46 P124	S46-S48 PolarHBondContact O-N 2.77Å; S48-P124 WeakPolarHBondContact O-CD 3.4Å
49	V	31	Very low	31.4	Very low	97 Å²	97	91.9 Å²	91.9	59%	0.588	54%	0.539	S	S	*	.			trans	-72.9	132.9	174.4	178.4	0	0	0	0	110.6	D47	D47-V49 PolarHBondContact O-N 3.4Å
50	S	34.5	Very low	31.8	Very low	26 Å²	26	90.1 Å²	90.1	18%	0.182	53%	0.526	C	S	.	.			trans	-57	134.4	179.6	-168.3	0	0	0	0	111.9	S52 A125	S50-S52 VanDerWaalsContact C-N 3.28Å; S50-S52 PolarHBondContact O-N 3.48Å; S50-A125 PolarHBondContact OG-O 3.32Å
51	T	40.3	Very low	31.9	Very low	33 Å²	33	88.2 Å²	88.2	20%	0.202	51%	0.512	C	S	.	.	S	Bend	trans	-85.5	11.8	-168.1	44.2	0	0	0	0	115.2	T101 F126 P587	T51-T101 HydrophobicContact CG2-CG2 4.44Å; T51-F126 WeakPolarHBondContact OG1-CD2 3.39Å; T51-F126 WeakPolarHBondContact OG1-CE2 3.47Å; T51-P587 HydrophobicContact CG2-CB 3.71Å; T51-P587 HydrophobicContact CG2-CG 3.41Å; T51-P587 VanDerWaalsContact CG2-CG 3.41Å
52	S	39.2	Very low	31.8	Very low	16 Å²	16	90.5 Å²	90.5	11%	0.112	51%	0.51	C	S	.	.	S	Bend	trans	-172.3	-14	-165.2	45.7	0	0	0	0	116.6	S50 E54 M127	S50-S52 VanDerWaalsContact C-N 3.28Å; S50-S52 PolarHBondContact O-N 3.48Å; S52-E54 PolarHBondContact O-N 3Å; S52-M127 WeakPolarHBondContact CB-O 3.45Å; S52-M127 VanDerWaalsContact OG-CA 3.32Å; S52-M127 WeakPolarHBondContact OG-CA 3.43Å; S52-M127 PolarHBondContact OG-N 3.21Å; S52-M127 PolarHBondContact OG-O 3.43Å
53	A	31.5	Very low	31.9	Very low	47 Å²	47	91 Å²	91	39%	0.388	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-19.3	-179.6	0	0	0	0	0	114.1	M127	A53-M127 HydrophobicContact CB-CE 3.24Å
54	E	36.2	Very low	31.6	Very low	99 Å²	99	95 Å²	95	46%	0.463	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	2.8	-173.4	-64.8	-175	162.1	0	0	114.5	S52	S52-E54 PolarHBondContact O-N 3Å
55	F	39.6	Very low	31.8	Very low	86 Å²	86	91.3 Å²	91.3	38%	0.377	51%	0.51	S	S	.	.			trans	-117	16.8	-172.7	-78	-85.6	0	0	0	115.1
56	S	32.7	Very low	31.7	Very low	41 Å²	41	93.5 Å²	93.5	29%	0.287	52%	0.519	S	S	.	.	S	Bend	trans	-78.4	129.7	140.2	-55.9	0	0	0	0	105.1	E58 D129	S56-E58 PolarHBondContact O-N 3.25Å; S56-D129 PolarHBondContact OG-OD2 3.3Å
57	P	32.7	Very low	31.9	Very low	41 Å²	41	92.9 Å²	92.9	27%	0.266	52%	0.521	S	S	.	.			trans	-51	122.6	158.8	22.7	-28.9	0	0	0	105.1	L59 Y545	P57-L59 HydrophobicContact CB-CG 4.46Å; P57-L59 HydrophobicContact CG-CD1 4.34Å; P57-L59 HydrophobicContact CG-CG 4.26Å; P57-L59 PolarHBondContact O-N 3.43Å; P57-Y545 WeakPolarHBondContact CB-OH 3.37Å
58	E	33.3	Very low	31.8	Very low	111 Å²	111	95.5 Å²	95.5	52%	0.519	53%	0.526	S	S	.	.			trans	-60.3	89.6	165.5	-78.9	-166.2	161.1	0	0	104.9	S56 R60	S56-E58 PolarHBondContact O-N 3.25Å; E58-R60 HydrophobicContact CB-CB 4.42Å; E58-R60 HydrophobicContact CB-CG 4.06Å; E58-R60 PolarHBondContact O-N 3.15Å; E58-R60 IonicContact OE1-CZ 3.81Å; E58-R60 IonicContact OE1-NE 3.72Å; E58-R60 IonicContact OE1-NH1 3.32Å; E58-R60 PolarHBondContact OE1-NH1 3.02Å; E58-R60 IonicContact OE1-NH2 3.37Å; E58-R60 PolarHBondContact OE1-NH2 3.23Å; E58-R60 VanDerWaalsContact OE2-CD 3.3Å; E58-R60 WeakPolarHBondContact OE2-CD 3.34Å; E58-R60 IonicContact OE2-CZ 3.71Å; E58-R60 IonicContact OE2-NE 3.38Å; E58-R60 PolarHBondContact OE2-NE 3.01Å; E58-R60 IonicContact OE2-NH1 3.14Å; E58-R60 PolarHBondContact OE2-NH1 3.18Å; E58-R60 IonicContact OE2-NH2 2.82Å
59	L	38.9	Very low	31.9	Very low	43 Å²	43	102 Å²	102	23%	0.225	54%	0.543	C	S	.	.			trans	-69.3	55.3	166.8	-76.7	159.3	0	0	0	107	P57 V61 L82 F203 Y545	P57-L59 HydrophobicContact CB-CG 4.46Å; P57-L59 HydrophobicContact CG-CD1 4.34Å; P57-L59 HydrophobicContact CG-CG 4.26Å; P57-L59 PolarHBondContact O-N 3.43Å; L59-V61 PolarHBondContact O-N 3.48Å; L59-V61 VanDerWaalsContact O-N 3.14Å; L59-L82 HydrophobicContact CD1-CD2 3.35Å; L59-F203 HydrophobicContact CD2-CZ 4.38Å; L59-Y545 HydrophobicContact CD2-CD2 3.72Å; L59-Y545 HydrophobicContact CD2-CE2 3.5Å; L59-Y545 VanDerWaalsContact CD2-CE2 3.5Å; L59-Y545 HydrophobicContact CG-CE2 4.43Å
60	R	34.8	Very low	31.8	Very low	164 Å²	164	102 Å²	102	62%	0.619	55%	0.553	S	S	*	*			trans	-87.1	63.6	175.6	-79.7	-173.9	-178.9	156.6	6.1	108.2	E58 K62	E58-R60 HydrophobicContact CB-CB 4.42Å; E58-R60 HydrophobicContact CB-CG 4.06Å; E58-R60 PolarHBondContact O-N 3.15Å; E58-R60 IonicContact OE1-CZ 3.81Å; E58-R60 IonicContact OE1-NE 3.72Å; E58-R60 IonicContact OE1-NH1 3.32Å; E58-R60 PolarHBondContact OE1-NH1 3.02Å; E58-R60 IonicContact OE1-NH2 3.37Å; E58-R60 PolarHBondContact OE1-NH2 3.23Å; E58-R60 VanDerWaalsContact OE2-CD 3.3Å; E58-R60 WeakPolarHBondContact OE2-CD 3.34Å; E58-R60 IonicContact OE2-CZ 3.71Å; E58-R60 IonicContact OE2-NE 3.38Å; E58-R60 PolarHBondContact OE2-NE 3.01Å; E58-R60 IonicContact OE2-NH1 3.14Å; E58-R60 PolarHBondContact OE2-NH1 3.18Å; E58-R60 IonicContact OE2-NH2 2.82Å; R60-K62 PolarHBondContact O-N 3.46Å
61	V	29.3	Very low	31.5	Very low	76 Å²	76	110.2 Å²	110.2	46%	0.461	59%	0.589	S	S	.	*			trans	-75.9	89.6	150.3	-177.5	0	0	0	0	105.6	L59 P63	L59-V61 PolarHBondContact O-N 3.48Å; L59-V61 VanDerWaalsContact O-N 3.14Å; V61-P63 VanDerWaalsContact O-CD 3.25Å; V61-P63 WeakPolarHBondContact O-CD 3.37Å
62	K	25.8	Very low	31.3	Very low	172 Å²	172	120.1 Å²	120.1	75%	0.748	62%	0.622	S	S	*	*			trans	-59	120	170.8	-73.6	-177.5	178.9	175.7	0	107.7	R60 K64	R60-K62 PolarHBondContact O-N 3.46Å; K62-K64 PolarHBondContact O-N 3.49Å
63	P	26.2	Very low	30.9	Very low	109 Å²	109	126.7 Å²	126.7	71%	0.708	66%	0.656	S	S	*	*			trans	-60.5	138.3	160.4	-8.7	23.5	0	0	0	106.8	V61 A65	V61-P63 VanDerWaalsContact O-CD 3.25Å; V61-P63 WeakPolarHBondContact O-CD 3.37Å; P63-A65 VanDerWaalsContact C-N 3.32Å; P63-A65 PolarHBondContact O-N 3.23Å
64	K	26.1	Very low	31.2	Very low	225 Å²	225	128.4 Å²	128.4	98%	0.978	67%	0.665	S	S	*	*			trans	-57.2	98.3	168.3	-82.9	-179.7	175.2	175.7	0	108.3	K62	K62-K64 PolarHBondContact O-N 3.49Å
65	A	27.7	Very low	31.5	Very low	89 Å²	89	129.4 Å²	129.4	74%	0.736	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-103.4	124.5	173.7	0	0	0	0	0	109.5	P63	P63-A65 VanDerWaalsContact C-N 3.32Å; P63-A65 PolarHBondContact O-N 3.23Å
66	T	25.9	Very low	31.8	Very low	142 Å²	142	134.4 Å²	134.4	87%	0.871	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-52.8	133.8	164.9	32.3	0	0	0	0	110.4	K68	T66-K68 PolarHBondContact O-N 3.13Å
67	A	27.2	Very low	32.9	Very low	101 Å²	101	139.4 Å²	139.4	84%	0.835	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-63.4	120	-174.6	0	0	0	0	0	112.3
68	K	26.2	Very low	34.5	Very low	201 Å²	201	144.5 Å²	144.5	87%	0.874	73%	0.734	S	S	*	*			trans	-136.8	121.2	148.1	-77.5	-170.3	177.2	177.7	0	108.9	T66 A70	T66-K68 PolarHBondContact O-N 3.13Å; K68-A70 PolarHBondContact O-N 3.09Å
69	K	31.2	Very low	36.5	Very low	222 Å²	222	140.3 Å²	140.3	97%	0.965	72%	0.717	S	S	*	*			trans	-60.8	126.8	173.9	-84	175	168.9	177.9	0	109.7
70	A	28.1	Very low	38.8	Very low	97 Å²	97	146.3 Å²	146.3	80%	0.802	74%	0.744	S	S	*	*			trans	-134.5	137.3	161.3	0	0	0	0	0	108.9	K68	K68-A70 PolarHBondContact O-N 3.09Å
71	H	29.8	Very low	41.6	Very low	200 Å²	200	141.8 Å²	141.8	93%	0.926	73%	0.732	S	S	*	*			trans	-60.5	141.4	-176.3	-94.7	-92.4	0	0	0	112.5
72	R	34.3	Very low	44.8	Very low	240 Å²	240	139 Å²	139	91%	0.906	71%	0.714	S	S	*	*			trans	-75	125.2	175.6	-93.3	178	166.6	-179.4	-5.9	111
73	D	30.7	Very low	48.2	Very low	154 Å²	154	133 Å²	133	82%	0.824	69%	0.693	S	S	*	*			trans	-109.6	103.1	155.8	-115.9	-15.5	0	0	0	105.9
74	S	38.9	Very low	51.5	Low	83 Å²	83	132.7 Å²	132.7	58%	0.58	69%	0.685	S	S	*	*			trans	-89.2	-1.7	-169.4	51	0	0	0	0	115.4
75	D	41.3	Very low	54.9	Low	120 Å²	120	122.4 Å²	122.4	64%	0.642	64%	0.64	S	S	*	*	S	Bend	trans	-101.6	2.7	-163.5	-66	-10.1	0	0	0	114.6
76	K	47.1	Very low	58.2	Low	192 Å²	192	121.4 Å²	121.4	84%	0.835	63%	0.625	S	S	*	*			trans	-133.7	25.2	-177	-69.8	-172.9	179.7	177.1	0	115.3	E78	K76-E78 PolarHBondContact O-N 3.48Å
77	E	55.1	Low	61.6	Low	146 Å²	146	117.7 Å²	117.7	68%	0.682	60%	0.602	S	S	*	*			trans	-72.3	101.6	177.7	-74.3	-175.9	166.9	0	0	110.7	K118	E77-K118 PolarHBondContact O-NZ 2.92Å
78	E	65.9	Low	64.8	Low	147 Å²	147	116.2 Å²	116.2	69%	0.687	58%	0.578	S	S	*	*			trans	-58.7	149	158.2	-73.3	-178	171.1	0	0	109.5	K76 Q80	K76-E78 PolarHBondContact O-N 3.48Å; E78-Q80 PolarHBondContact O-N 2.8Å
79	P	75.6	Confident	68	Low	23 Å²	23	108.9 Å²	108.9	15%	0.149	55%	0.548	C	S	.	.			trans	-57.7	133.4	179.5	26.7	-36	0	0	0	110.6	L81 M109 F116	P79-L81 PolarHBondContact O-N 3.05Å; P79-L81 VanDerWaalsContact O-N 3.09Å; P79-M109 HydrophobicContact CG-CE 3.28Å; P79-M109 HydrophobicContact CG-SD 3.72Å; P79-F116 HydrophobicContact CB-CD1 3.99Å; P79-F116 HydrophobicContact CB-CD2 4.16Å; P79-F116 HydrophobicContact CB-CE1 3.92Å; P79-F116 HydrophobicContact CB-CE2 4.12Å; P79-F116 HydrophobicContact CB-CG 4.09Å; P79-F116 HydrophobicContact CB-CZ 3.99Å; P79-F116 HydrophobicContact CG-CD1 3.61Å; P79-F116 HydrophobicContact CG-CE1 3.81Å; P79-F116 HydrophobicContact CG-CG 4Å; P79-F116 HydrophobicContact CG-CZ 4.4Å
80	Q	87.5	Confident	70.9	Confident	169 Å²	169	102 Å²	102	79%	0.79	52%	0.521	S	S	*	.			trans	-66	112.8	173.9	-171	176.3	3.3	0	0	109.4	E78 R114	E78-Q80 PolarHBondContact O-N 2.8Å; Q80-R114 PolarHBondContact O-NH2 2.99Å
81	L	94.1	Very high	73.8	Confident	70 Å²	70	98.5 Å²	98.5	37%	0.366	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-68.3	141.3	176.6	-59.9	179	0	0	0	110.4	P79 E85 V87 T111	P79-L81 PolarHBondContact O-N 3.05Å; P79-L81 VanDerWaalsContact O-N 3.09Å; L81-E85 WeakPolarHBondContact CA-OE2 3.47Å; L81-E85 HydrophobicContact CB-CB 4.23Å; L81-E85 HydrophobicContact CD2-CG 4.12Å; L81-V87 HydrophobicContact CD1-CG2 4.04Å; L81-V87 HydrophobicContact CD2-CG2 4.17Å; L81-T111 HydrophobicContact CD2-CG2 3.95Å
82	L	96.2	Very high	76.7	Confident	18 Å²	18	92.9 Å²	92.9	9%	0.094	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-67.5	159.5	170.2	-59.4	-179.2	0	0	0	110.4	L59 N84 E85 Y113 F195 Y199 L518	L59-L82 HydrophobicContact CD1-CD2 3.35Å; L82-N84 PolarHBondContact O-N 3.38Å; L82-N84 VanDerWaalsContact O-N 3.12Å; L82-E85 HydrophobicContact CB-CB 3.95Å; L82-E85 WeakPolarHBondContact CG-OE2 3.43Å; L82-E85 PolarHBondContact N-OE2 2.98Å; L82-E85 VanDerWaalsContact O-CB 3.27Å; L82-E85 WeakPolarHBondContact O-CB 3.47Å; L82-E85 PolarHBondContact O-N 3.38Å; L82-Y113 HydrophobicContact CD1-CD1 3.76Å; L82-Y113 HydrophobicContact CD1-CE1 3.69Å; L82-F195 HydrophobicContact CB-CZ 4.45Å; L82-F195 HydrophobicContact CD1-CE1 4.14Å; L82-Y199 HydrophobicContact CB-CD2 4.38Å; L82-Y199 HydrophobicContact CB-CE2 4.1Å; L82-Y199 HydrophobicContact CD1-CD2 4.49Å; L82-Y199 HydrophobicContact CD1-CE2 4.09Å; L82-Y199 HydrophobicContact CG-CE2 4.49Å; L82-L518 HydrophobicContact CD1-CD1 3.68Å; L82-L518 HydrophobicContact CD1-CD2 4.39Å
83	P	97.1	Very high	79.3	Confident	46 Å²	46	85.9 Å²	85.9	30%	0.299	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	122.7	170.5	-27.4	36	0	0	0	111.5	E85 G200 Q201	P83-E85 PolarHBondContact O-N 2.84Å; P83-G200 PolarHBondContact O-N 2.93Å; P83-Q201 HydrophobicContact CG-CB 4.22Å
84	N	96.6	Very high	82.1	Confident	102 Å²	102	78.6 Å²	78.6	55%	0.545	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.5	10.1	-175.9	-51.3	-28.6	0	0	0	115.8	L82 N112 E198	L82-N84 PolarHBondContact O-N 3.38Å; L82-N84 VanDerWaalsContact O-N 3.12Å; N84-N112 PolarHBondContact O-ND2 3.02Å; N84-E198 WeakPolarHBondContact CB-O 3.42Å; N84-E198 PolarHBondContact ND2-O 2.9Å
85	E	97.6	Very high	84.8	Confident	8 Å²	8	76.2 Å²	76.2	4%	0.037	40%	0.396	C	S	.	.			trans	-74.2	131.3	164.6	-174.1	178.7	-164.9	0	0	109.9	L81 L82 P83 T111 N112 R114 F195	L81-E85 WeakPolarHBondContact CA-OE2 3.47Å; L81-E85 HydrophobicContact CB-CB 4.23Å; L81-E85 HydrophobicContact CD2-CG 4.12Å; L82-E85 HydrophobicContact CB-CB 3.95Å; L82-E85 WeakPolarHBondContact CG-OE2 3.43Å; L82-E85 PolarHBondContact N-OE2 2.98Å; L82-E85 VanDerWaalsContact O-CB 3.27Å; L82-E85 WeakPolarHBondContact O-CB 3.47Å; L82-E85 PolarHBondContact O-N 3.38Å; P83-E85 PolarHBondContact O-N 2.84Å; E85-T111 HydrophobicContact CG-CG2 4Å; E85-T111 WeakPolarHBondContact CG-OG1 3.28Å; E85-T111 WeakPolarHBondContact OE1-CB 3.37Å; E85-T111 WeakPolarHBondContact OE1-CG2 3.33Å; E85-T111 PolarHBondContact OE1-OG1 3.19Å; E85-N112 WeakPolarHBondContact CA-OD1 3.47Å; E85-R114 WeakPolarHBondContact OE1-CG 3.25Å; E85-R114 IonicContact OE1-CZ 2.75Å; E85-R114 IonicContact OE1-NE 2.94Å; E85-R114 PolarHBondContact OE1-NE 2.69Å; E85-R114 IonicContact OE1-NH2 3.73Å; E85-R114 IonicContact OE2-CZ 3.28Å; E85-R114 IonicContact OE2-NE 2.65Å; E85-R114 PolarHBondContact OE2-NE 2.72Å; E85-R114 IonicContact OE2-NH2 2.85Å; E85-R114 PolarHBondContact OE2-NH2 2.73Å; E85-F195 HydrophobicContact CB-CE2 4.15Å; E85-F195 HydrophobicContact CB-CZ 3.86Å; E85-F195 HydrophobicContact CG-CZ 4.48Å
86	T	96.4	Very high	87.3	Confident	69 Å²	69	71 Å²	71	42%	0.423	37%	0.368	S	S	.	.			trans	-129.8	133.7	-176	53.9	0	0	0	0	110.6	Q88 T111 N112	T86-Q88 PolarHBondContact O-N 3.43Å; T86-Q88 PolarHBondContact O-NE2 3.05Å; T86-Q88 VanDerWaalsContact O-NE2 3.13Å; T86-Q88 PolarHBondContact OG1-NE2 3.49Å; T86-T111 CarbonylContact O-C 3.59Å; T86-T111 WeakPolarHBondContact O-CA 3.49Å; T86-T111 VanDerWaalsContact O-CB 3.3Å; T86-T111 WeakPolarHBondContact O-CB 3.39Å; T86-N112 PolarHBondContact N-OD1 2.97Å; T86-N112 PolarHBondContact O-N 3.26Å; T86-N112 VanDerWaalsContact O-N 3.1Å; T86-N112 PolarHBondContact O-OD1 3.02Å; T86-N112 PolarHBondContact OG1-ND2 3.41Å
87	V	96.2	Very high	89.6	Confident	63 Å²	63	66.1 Å²	66.1	38%	0.382	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	124.7	175.3	-177.7	0	0	0	0	109.2	L81 M109 T111	L81-V87 HydrophobicContact CD1-CG2 4.04Å; L81-V87 HydrophobicContact CD2-CG2 4.17Å; V87-M109 HydrophobicContact CG1-CG 3.8Å; V87-M109 HydrophobicContact CG1-SD 4.33Å; V87-M109 HydrophobicContact CG2-CG 4.2Å; V87-M109 HydrophobicContact CG2-SD 3.66Å; V87-T111 HydrophobicContact CG2-CG2 4.36Å
88	Q	95.5	Very high	91.4	Very high	70 Å²	70	59.6 Å²	59.6	33%	0.327	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	-36.6	179.6	-57.6	-57.6	-43	0	0	111.4	T86 V110 V180 F184	T86-Q88 PolarHBondContact O-N 3.43Å; T86-Q88 PolarHBondContact O-NE2 3.05Å; T86-Q88 VanDerWaalsContact O-NE2 3.13Å; T86-Q88 PolarHBondContact OG1-NE2 3.49Å; Q88-V110 WeakPolarHBondContact CA-O 3.48Å; Q88-V110 WeakPolarHBondContact CB-O 3.49Å; Q88-V110 PolarHBondContact N-O 3.02Å; Q88-V180 HydrophobicContact CB-CG1 3.72Å; Q88-F184 HydrophobicContact CB-CD2 3.98Å; Q88-F184 HydrophobicContact CB-CE2 3.65Å; Q88-F184 HydrophobicContact CB-CZ 4.12Å; Q88-F184 HydrophobicContact CG-CD1 4.09Å; Q88-F184 HydrophobicContact CG-CD2 3.77Å; Q88-F184 HydrophobicContact CG-CE1 3.82Å; Q88-F184 HydrophobicContact CG-CE2 3.5Å; Q88-F184 HydrophobicContact CG-CG 4.08Å; Q88-F184 HydrophobicContact CG-CZ 3.53Å
89	D	93.4	Very high	92.7	Very high	47 Å²	47	54.8 Å²	54.8	25%	0.251	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	157.5	175	-164.9	17.5	0	0	0	111.3	V110 I177 V180	D89-V110 PolarHBondContact N-O 3.28Å; D89-V110 PolarHBondContact O-N 3.32Å; D89-I177 HydrophobicContact CB-CD1 3.93Å; D89-V180 HydrophobicContact CB-CB 4.18Å; D89-V180 HydrophobicContact CB-CG1 3.86Å; D89-V180 HydrophobicContact CB-CG2 3.85Å
90	M	91.6	Very high	93.4	Very high	79 Å²	79	55.6 Å²	55.6	39%	0.389	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	128.2	176	-169.4	-176.8	-54.8	0	0	110.2	T107 V108 M109	M90-T107 HydrophobicContact CG-CG2 3.54Å; M90-T107 HydrophobicContact SD-CG2 3.85Å; M90-V108 CarbonylContact C-O 3.52Å; M90-V108 WeakPolarHBondContact CA-O 3.32Å; M90-M109 HydrophobicContact CE-CE 3.58Å; M90-M109 HydrophobicContact CE-CG 4.07Å; M90-M109 HydrophobicContact CE-SD 4.14Å; M90-M109 HydrophobicContact CG-CB 4.42Å
91	A	89.1	Confident	93.6	Very high	22 Å²	22	49.8 Å²	49.8	18%	0.182	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	114.9	-178.1	0	0	0	0	0	110.2	I94 T107 V108 I177	A91-I94 HydrophobicContact CB-CD1 3.46Å; A91-I94 VanDerWaalsContact CB-CD1 3.46Å; A91-I94 HydrophobicContact CB-CG1 4.27Å; A91-T107 WeakPolarHBondContact O-CA 3.08Å; A91-V108 PolarHBondContact N-O 3.21Å; A91-V108 PolarHBondContact O-N 3.07Å; A91-I177 HydrophobicContact CB-CB 4.4Å; A91-I177 HydrophobicContact CB-CD1 4.43Å; A91-I177 HydrophobicContact CB-CG1 4.48Å
92	P	90.3	Very high	93.5	Very high	83 Å²	83	48.3 Å²	48.3	54%	0.539	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	173.5	171.1	33.7	-35.2	0	0	0	110.7	I94	P92-I94 PolarHBondContact O-N 2.92Å
93	D	88.8	Confident	93.4	Very high	93 Å²	93	50.6 Å²	50.6	50%	0.497	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	59.8	27.2	172.8	-65.5	-46.2	0	0	0	115.4	R105 G106	D93-R105 IonicContact OD1-CZ 2.69Å; D93-R105 IonicContact OD1-NE 3Å; D93-R105 PolarHBondContact OD1-NE 3.47Å; D93-R105 IonicContact OD1-NH2 3.01Å; D93-R105 PolarHBondContact OD1-NH2 3.44Å; D93-R105 IonicContact OD2-NH2 2.92Å; D93-R105 PolarHBondContact OD2-NH2 2.97Å; D93-G106 PolarHBondContact N-O 2.77Å
94	I	91	Very high	93.3	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	135.5	172	-69.4	174.1	0	0	0	109.1	A91 P92 R105 G106 V108 F164 H166 I177	A91-I94 HydrophobicContact CB-CD1 3.46Å; A91-I94 VanDerWaalsContact CB-CD1 3.46Å; A91-I94 HydrophobicContact CB-CG1 4.27Å; P92-I94 PolarHBondContact O-N 2.92Å; I94-R105 WeakPolarHBondContact O-CA 2.88Å; I94-G106 PolarHBondContact N-O 2.97Å; I94-G106 PolarHBondContact O-N 2.91Å; I94-V108 HydrophobicContact CB-CG2 3.89Å; I94-V108 HydrophobicContact CD1-CB 3.59Å; I94-V108 HydrophobicContact CD1-CG2 3.54Å; I94-V108 HydrophobicContact CG1-CG2 4.29Å; I94-V108 HydrophobicContact CG2-CG2 3.63Å; I94-F164 HydrophobicContact CG2-CB 4.05Å; I94-F164 HydrophobicContact CG2-CD1 3.84Å; I94-F164 HydrophobicContact CG2-CG 4.4Å; I94-H166 HydrophobicContact CG1-CB 4.09Å; I94-I177 HydrophobicContact CD1-CG2 4.14Å
95	T	93.9	Very high	93.2	Very high	33 Å²	33	49.5 Å²	49.5	20%	0.202	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	117.9	173.6	-56	0	0	0	0	109.5	F97 A103 L104 F164 S165	T95-F97 HydrophobicContact CG2-CE1 4.11Å; T95-F97 HydrophobicContact CG2-CE2 4.27Å; T95-F97 HydrophobicContact CG2-CZ 3.97Å; T95-A103 HydrophobicContact CG2-CB 3.83Å; T95-L104 CarbonylContact C-O 3.59Å; T95-L104 WeakPolarHBondContact CA-O 3.28Å; T95-F164 CarbonylContact O-C 3.47Å; T95-F164 VanDerWaalsContact O-CA 3.23Å; T95-F164 WeakPolarHBondContact O-CA 3.44Å; T95-S165 PolarHBondContact N-O 3.43Å; T95-S165 PolarHBondContact O-N 3.36Å
96	Y	94.8	Very high	93	Very high	9 Å²	9	49.6 Å²	49.6	4%	0.035	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	126.5	167.6	170.3	-121.1	0	0	0	109.7	C98 A103 L104 F117 F126 L128 L162 R163 F164	Y96-C98 HydrophobicContact CD1-CB 3.97Å; Y96-C98 HydrophobicContact CE1-CB 3.42Å; Y96-C98 VanDerWaalsContact CE1-CB 3.42Å; Y96-C98 PolarHBondContact O-N 3.5Å; Y96-A103 WeakPolarHBondContact O-CA 3.26Å; Y96-L104 HydrophobicContact CD1-CD1 4.3Å; Y96-L104 PolarHBondContact N-O 2.88Å; Y96-L104 PolarHBondContact O-N 3.46Å; Y96-F117 HydrophobicContact CD1-CD1 4.33Å; Y96-F117 HydrophobicContact CD1-CE1 4.09Å; Y96-F117 HydrophobicContact CG-CD1 4.39Å; Y96-F117 HydrophobicContact CG-CE1 4.22Å; Y96-F126 AromaticContact CD1-CE1 3.66Å; Y96-F126 HydrophobicContact CD1-CE1 3.66Å; Y96-F126 AromaticContact CD1-CZ 3.87Å; Y96-F126 HydrophobicContact CD1-CZ 3.87Å; Y96-F126 AromaticContact CE1-CE1 3.69Å; Y96-F126 HydrophobicContact CE1-CE1 3.69Å; Y96-F126 HydrophobicContact CE1-CE2 4.41Å; Y96-F126 AromaticContact CE1-CZ 3.43Å; Y96-F126 HydrophobicContact CE1-CZ 3.43Å; Y96-F126 VanDerWaalsContact CE1-CZ 3.43Å; Y96-L128 HydrophobicContact CD2-CD2 4.35Å; Y96-L128 HydrophobicContact CE1-CD2 4.46Å; Y96-L128 HydrophobicContact CE2-CD2 4.13Å; Y96-L162 HydrophobicContact CE2-CB 4.18Å; Y96-L162 HydrophobicContact CE2-CD2 3.91Å; Y96-L162 WeakPolarHBondContact OH-CD2 3.49Å; Y96-R163 VanDerWaalsContact CD2-O 3.31Å; Y96-R163 WeakPolarHBondContact CD2-O 3.41Å; Y96-F164 HydrophobicContact CD2-CD1 4.05Å; Y96-F164 AromaticContact CD2-CE1 3.67Å; Y96-F164 HydrophobicContact CD2-CE1 3.67Å; Y96-F164 HydrophobicContact CD2-CE2 4.48Å; Y96-F164 AromaticContact CD2-CZ 3.92Å; Y96-F164 HydrophobicContact CD2-CZ 3.92Å; Y96-F164 HydrophobicContact CE2-CZ 4.46Å; Y96-F164 HydrophobicContact CG-CD1 4.44Å; Y96-F164 HydrophobicContact CG-CE1 4.06Å
97	F	94.3	Very high	92.8	Very high	91 Å²	91	48.7 Å²	48.7	40%	0.399	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	87.4	174.5	-61.5	-83.6	0	0	0	109.6	T95 P99 A103 R163 S165	T95-F97 HydrophobicContact CG2-CE1 4.11Å; T95-F97 HydrophobicContact CG2-CE2 4.27Å; T95-F97 HydrophobicContact CG2-CZ 3.97Å; F97-P99 WeakPolarHBondContact O-CD 3.42Å; F97-A103 HydrophobicContact CD1-CB 4.05Å; F97-A103 HydrophobicContact CE1-CB 4.15Å; F97-R163 HydrophobicContact CB-CB 4.17Å; F97-R163 HydrophobicContact CD2-CB 4.29Å; F97-R163 PolarHBondContact N-O 3.39Å; F97-S165 VanDerWaalsContact CE2-OG 3.24Å; F97-S165 WeakPolarHBondContact CE2-OG 3.3Å; F97-S165 WeakPolarHBondContact CZ-OG 3.47Å
98	C	93.5	Very high	92.7	Very high	8 Å²	8	45.7 Å²	45.7	5%	0.054	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	120.4	174.3	-175.7	0	0	0	0	109.5	Y96 F100 T101 G102 L104	Y96-C98 HydrophobicContact CD1-CB 3.97Å; Y96-C98 HydrophobicContact CE1-CB 3.42Å; Y96-C98 VanDerWaalsContact CE1-CB 3.42Å; Y96-C98 PolarHBondContact O-N 3.5Å; C98-F100 PolarHBondContact O-N 3.29Å; C98-F100 VanDerWaalsContact O-N 3.08Å; C98-T101 WeakPolarHBondContact CB-OG1 3.33Å; C98-T101 PolarHBondContact O-N 2.91Å; C98-T101 PolarHBondContact SG-N 2.98Å; C98-T101 PolarHBondContact SG-OG1 3.33Å; C98-T101 VanDerWaalsContact SG-OG1 3.33Å; C98-G102 VanDerWaalsContact CB-O 3.25Å; C98-G102 WeakPolarHBondContact CB-O 3.46Å; C98-G102 PolarHBondContact N-O 3.25Å; C98-G102 PolarHBondContact O-N 2.92Å; C98-L104 HydrophobicContact CB-CD1 4.27Å
99	P	92.9	Very high	92.6	Very high	47 Å²	47	42.9 Å²	42.9	31%	0.305	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-22.1	180	-23.6	34.7	0	0	0	114	F97 Y373 P374	F97-P99 WeakPolarHBondContact O-CD 3.42Å; P99-Y373 HydrophobicContact CG-CE1 4.41Å; P99-P374 HydrophobicContact CB-CB 3.39Å; P99-P374 HydrophobicContact CB-CG 4.19Å; P99-P374 HydrophobicContact CG-CB 3.92Å
100	F	91.6	Very high	92.8	Very high	39 Å²	39	40.7 Å²	40.7	17%	0.171	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-28.3	-174.7	-50.6	-69.2	0	0	0	113.8	C98 Y373 P374 W585 N586 P587	C98-F100 PolarHBondContact O-N 3.29Å; C98-F100 VanDerWaalsContact O-N 3.08Å; F100-Y373 AromaticContact CE2-CE2 4Å; F100-Y373 HydrophobicContact CE2-CE2 4Å; F100-Y373 HydrophobicContact CZ-CD2 4.28Å; F100-Y373 AromaticContact CZ-CE2 3.87Å; F100-Y373 HydrophobicContact CZ-CE2 3.87Å; F100-P374 WeakPolarHBondContact CE1-O 3.46Å; F100-W585 HydrophobicContact CE2-CB 4.43Å; F100-W585 VanDerWaalsContact CE2-O 3.27Å; F100-W585 WeakPolarHBondContact CE2-O 3.44Å; F100-N586 HydrophobicContact CD1-CB 4.36Å; F100-N586 HydrophobicContact CE1-CB 3.74Å; F100-N586 HydrophobicContact CZ-CB 3.99Å; F100-P587 HydrophobicContact CB-CG 4.22Å; F100-P587 HydrophobicContact CD2-CG 4.4Å; F100-P587 HydrophobicContact CG-CG 4.39Å
101	T	90.2	Very high	93	Very high	47 Å²	47	37 Å²	37	29%	0.288	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.5	4	-169	79.5	0	0	0	0	115	T51 C98 K122	T51-T101 HydrophobicContact CG2-CG2 4.44Å; C98-T101 WeakPolarHBondContact CB-OG1 3.33Å; C98-T101 PolarHBondContact O-N 2.91Å; C98-T101 PolarHBondContact SG-N 2.98Å; C98-T101 PolarHBondContact SG-OG1 3.33Å; C98-T101 VanDerWaalsContact SG-OG1 3.33Å; T101-K122 PolarHBondContact O-NZ 3.08Å; T101-K122 PolarHBondContact OG1-NZ 3.46Å; T101-K122 VanDerWaalsContact OG1-NZ 3.1Å
102	G	92.2	Very high	93.4	Very high	40 Å²	40	36.7 Å²	36.7	41%	0.412	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	91.1	-168.1	176.2	0	0	0	0	0	114.1	C98	C98-G102 VanDerWaalsContact CB-O 3.25Å; C98-G102 WeakPolarHBondContact CB-O 3.46Å; C98-G102 PolarHBondContact N-O 3.25Å; C98-G102 PolarHBondContact O-N 2.92Å
103	A	94.2	Very high	93.8	Very high	65 Å²	65	33.5 Å²	33.5	54%	0.537	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	134.7	177.5	0	0	0	0	0	110.8	T95 Y96 F97	T95-A103 HydrophobicContact CG2-CB 3.83Å; Y96-A103 WeakPolarHBondContact O-CA 3.26Å; F97-A103 HydrophobicContact CD1-CB 4.05Å; F97-A103 HydrophobicContact CE1-CB 4.15Å
104	L	94.6	Very high	94.2	Very high	5 Å²	5	30 Å²	30	3%	0.026	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	126.2	179	-61.7	172.5	0	0	0	108.5	T95 Y96 C98 F117 K122 F126	T95-L104 CarbonylContact C-O 3.59Å; T95-L104 WeakPolarHBondContact CA-O 3.28Å; Y96-L104 HydrophobicContact CD1-CD1 4.3Å; Y96-L104 PolarHBondContact N-O 2.88Å; Y96-L104 PolarHBondContact O-N 3.46Å; C98-L104 HydrophobicContact CB-CD1 4.27Å; L104-F117 HydrophobicContact CB-CE1 4.25Å; L104-F117 HydrophobicContact CB-CZ 4.21Å; L104-F117 WeakPolarHBondContact O-CZ 3.41Å; L104-K122 HydrophobicContact CD2-CD 3.99Å; L104-K122 HydrophobicContact CD2-CG 4.32Å; L104-F126 HydrophobicContact CD1-CB 3.99Å; L104-F126 HydrophobicContact CD1-CD1 3.65Å; L104-F126 HydrophobicContact CD1-CD2 3.37Å; L104-F126 HydrophobicContact CD1-CE1 3.96Å; L104-F126 HydrophobicContact CD1-CE2 3.68Å; L104-F126 HydrophobicContact CD1-CG 3.39Å; L104-F126 HydrophobicContact CD1-CZ 4.01Å
105	R	94.2	Very high	94.5	Very high	121 Å²	121	29.9 Å²	29.9	46%	0.457	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	137.5	176.6	-169.6	176.1	176.4	171.9	1	109.1	D93 I94 S119 D121	D93-R105 IonicContact OD1-CZ 2.69Å; D93-R105 IonicContact OD1-NE 3Å; D93-R105 PolarHBondContact OD1-NE 3.47Å; D93-R105 IonicContact OD1-NH2 3.01Å; D93-R105 PolarHBondContact OD1-NH2 3.44Å; D93-R105 IonicContact OD2-NH2 2.92Å; D93-R105 PolarHBondContact OD2-NH2 2.97Å; I94-R105 WeakPolarHBondContact O-CA 2.88Å; R105-S119 WeakPolarHBondContact O-CB 3.31Å; R105-S119 PolarHBondContact O-OG 3.11Å; R105-D121 PolarHBondContact N-OD2 3.33Å
106	G	93.6	Very high	94.6	Very high	10 Å²	10	29 Å²	29	10%	0.103	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.3	-163.4	-175.5	0	0	0	0	0	113.3	D93 I94 K118	D93-G106 PolarHBondContact N-O 2.77Å; I94-G106 PolarHBondContact N-O 2.97Å; I94-G106 PolarHBondContact O-N 2.91Å; G106-K118 CarbonylContact C-O 3.47Å; G106-K118 WeakPolarHBondContact CA-O 3.43Å
107	T	92.8	Very high	94.6	Very high	50 Å²	50	28.6 Å²	28.6	31%	0.307	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	131	-179.1	-57.9	0	0	0	0	109.3	M90 A91 F117 K118	M90-T107 HydrophobicContact CG-CG2 3.54Å; M90-T107 HydrophobicContact SD-CG2 3.85Å; A91-T107 WeakPolarHBondContact O-CA 3.08Å; T107-F117 VanDerWaalsContact O-CA 3.31Å; T107-F117 WeakPolarHBondContact O-CA 3.28Å; T107-K118 PolarHBondContact N-O 2.8Å; T107-K118 PolarHBondContact O-N 3.48Å
108	V	93.8	Very high	94.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	136.6	166.2	178.3	0	0	0	0	109	M90 A91 I94 V110 L115 F116 F117 F164 I177	M90-V108 CarbonylContact C-O 3.52Å; M90-V108 WeakPolarHBondContact CA-O 3.32Å; A91-V108 PolarHBondContact N-O 3.21Å; A91-V108 PolarHBondContact O-N 3.07Å; I94-V108 HydrophobicContact CB-CG2 3.89Å; I94-V108 HydrophobicContact CD1-CB 3.59Å; I94-V108 HydrophobicContact CD1-CG2 3.54Å; I94-V108 HydrophobicContact CG1-CG2 4.29Å; I94-V108 HydrophobicContact CG2-CG2 3.63Å; V108-V110 HydrophobicContact CG1-CG2 4.18Å; V108-L115 HydrophobicContact CG1-CD1 4.08Å; V108-L115 HydrophobicContact CG1-CD2 4.31Å; V108-L115 HydrophobicContact CG1-CG 3.89Å; V108-F116 CarbonylContact C-O 3.58Å; V108-F116 WeakPolarHBondContact CA-O 3.32Å; V108-F117 HydrophobicContact CG2-CB 4.3Å; V108-F117 HydrophobicContact CG2-CD2 3.71Å; V108-F117 HydrophobicContact CG2-CG 4.48Å; V108-F164 HydrophobicContact CG2-CD1 4.14Å; V108-F164 HydrophobicContact CG2-CE1 4.14Å; V108-I177 HydrophobicContact CG1-CD1 4.36Å; V108-I177 HydrophobicContact CG1-CG1 4.06Å
109	M	94.6	Very high	94.7	Very high	11 Å²	11	26 Å²	26	5%	0.054	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	132.4	170	-174.4	-171.1	-40	0	0	108.3	P79 V87 M90 T111 L115 F116	P79-M109 HydrophobicContact CG-CE 3.28Å; P79-M109 HydrophobicContact CG-SD 3.72Å; V87-M109 HydrophobicContact CG1-CG 3.8Å; V87-M109 HydrophobicContact CG1-SD 4.33Å; V87-M109 HydrophobicContact CG2-CG 4.2Å; V87-M109 HydrophobicContact CG2-SD 3.66Å; M90-M109 HydrophobicContact CE-CE 3.58Å; M90-M109 HydrophobicContact CE-CG 4.07Å; M90-M109 HydrophobicContact CE-SD 4.14Å; M90-M109 HydrophobicContact CG-CB 4.42Å; M109-T111 HydrophobicContact CG-CG2 4.47Å; M109-T111 HydrophobicContact SD-CG2 4.35Å; M109-L115 CarbonylContact O-C 3.59Å; M109-L115 WeakPolarHBondContact O-CA 3.39Å; M109-F116 HydrophobicContact CB-CB 4.4Å; M109-F116 HydrophobicContact CE-CD1 4.47Å; M109-F116 PolarHBondContact N-O 3.31Å; M109-F116 PolarHBondContact O-N 2.95Å
110	V	96.2	Very high	94.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	125.8	172.5	177.9	0	0	0	0	107.8	Q88 D89 V108 L115 L132 I177 V180	Q88-V110 WeakPolarHBondContact CA-O 3.48Å; Q88-V110 WeakPolarHBondContact CB-O 3.49Å; Q88-V110 PolarHBondContact N-O 3.02Å; D89-V110 PolarHBondContact N-O 3.28Å; D89-V110 PolarHBondContact O-N 3.32Å; V108-V110 HydrophobicContact CG1-CG2 4.18Å; V110-L115 HydrophobicContact CG2-CD1 4.34Å; V110-L115 HydrophobicContact CG2-CG 4.37Å; V110-L132 HydrophobicContact CG1-CD1 4.26Å; V110-I177 HydrophobicContact CB-CD1 4.23Å; V110-I177 HydrophobicContact CG2-CD1 3.64Å; V110-I177 HydrophobicContact CG2-CG1 4.07Å; V110-V180 HydrophobicContact CB-CG1 4.14Å; V110-V180 HydrophobicContact CG1-CG1 3.91Å
111	T	97.4	Very high	94.4	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.006	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	-178	173.2	73.1	0	0	0	0	110	L81 E85 T86 V87 M109 Y113 R114 L132	L81-T111 HydrophobicContact CD2-CG2 3.95Å; E85-T111 HydrophobicContact CG-CG2 4Å; E85-T111 WeakPolarHBondContact CG-OG1 3.28Å; E85-T111 WeakPolarHBondContact OE1-CB 3.37Å; E85-T111 WeakPolarHBondContact OE1-CG2 3.33Å; E85-T111 PolarHBondContact OE1-OG1 3.19Å; T86-T111 CarbonylContact O-C 3.59Å; T86-T111 WeakPolarHBondContact O-CA 3.49Å; T86-T111 VanDerWaalsContact O-CB 3.3Å; T86-T111 WeakPolarHBondContact O-CB 3.39Å; V87-T111 HydrophobicContact CG2-CG2 4.36Å; M109-T111 HydrophobicContact CG-CG2 4.47Å; M109-T111 HydrophobicContact SD-CG2 4.35Å; T111-Y113 PolarHBondContact O-N 3.32Å; T111-Y113 PolarHBondContact OG1-N 3.42Å; T111-R114 PolarHBondContact N-O 3Å; T111-R114 PolarHBondContact OG1-N 2.94Å; T111-R114 PolarHBondContact OG1-O 3.26Å; T111-L132 VanDerWaalsContact O-CD1 3.28Å; T111-L132 WeakPolarHBondContact O-CD1 3.43Å
112	N	97.1	Very high	94.1	Very high	17 Å²	17	34 Å²	34	9%	0.091	18%	0.184	C	C	.	.	S	Bend	trans	-70	-3.5	166.4	57.2	-19.7	0	0	0	113.4	N84 E85 T86 F184 F195 E198	N84-N112 PolarHBondContact O-ND2 3.02Å; E85-N112 WeakPolarHBondContact CA-OD1 3.47Å; T86-N112 PolarHBondContact N-OD1 2.97Å; T86-N112 PolarHBondContact O-N 3.26Å; T86-N112 VanDerWaalsContact O-N 3.1Å; T86-N112 PolarHBondContact O-OD1 3.02Å; T86-N112 PolarHBondContact OG1-ND2 3.41Å; N112-F184 HydrophobicContact CB-CD1 4.19Å; N112-F184 HydrophobicContact CB-CE1 4.39Å; N112-F195 HydrophobicContact CB-CD2 4.44Å; N112-E198 PolarHBondContact ND2-OE2 3.47Å
113	Y	98.2	Very high	93.7	Very high	16 Å²	16	39.2 Å²	39.2	6%	0.063	20%	0.202	C	C	.	.	S	Bend	trans	-124.2	-41	-179.1	174.1	-117.9	0	0	0	114.7	L82 T111 P131 L132 F195 L518	L82-Y113 HydrophobicContact CD1-CD1 3.76Å; L82-Y113 HydrophobicContact CD1-CE1 3.69Å; T111-Y113 PolarHBondContact O-N 3.32Å; T111-Y113 PolarHBondContact OG1-N 3.42Å; Y113-P131 HydrophobicContact CE2-CB 4.18Å; Y113-L132 VanDerWaalsContact O-CB 3.27Å; Y113-L132 WeakPolarHBondContact O-CB 3.41Å; Y113-L132 WeakPolarHBondContact O-CG 3.33Å; Y113-L132 PolarHBondContact O-N 3.33Å; Y113-F195 HydrophobicContact CD1-CE1 4.4Å; Y113-F195 HydrophobicContact CD2-CB 4.06Å; Y113-F195 AromaticContact CD2-CD1 3.26Å; Y113-F195 HydrophobicContact CD2-CD1 3.26Å; Y113-F195 AromaticContact CD2-CE1 3.88Å; Y113-F195 HydrophobicContact CD2-CE1 3.88Å; Y113-F195 AromaticContact CD2-CG 3.79Å; Y113-F195 HydrophobicContact CD2-CG 3.79Å; Y113-F195 HydrophobicContact CE2-CD1 4.08Å; Y113-F195 AromaticContact CG-CD1 3.56Å; Y113-F195 HydrophobicContact CG-CD1 3.56Å; Y113-F195 AromaticContact CG-CE1 3.74Å; Y113-F195 HydrophobicContact CG-CE1 3.74Å; Y113-F195 HydrophobicContact CG-CG 4.05Å; Y113-F195 HydrophobicContact CG-CZ 4.39Å; Y113-L518 HydrophobicContact CD2-CD1 4.36Å; Y113-L518 HydrophobicContact CE2-CB 3.77Å; Y113-L518 HydrophobicContact CE2-CD1 3.93Å; Y113-L518 HydrophobicContact CE2-CG 4.36Å
114	R	97.4	Very high	93.4	Very high	18 Å²	18	38.8 Å²	38.8	7%	0.068	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	158.5	-172	74.4	-171.1	116.1	172.2	6.4	113.4	Q80 E85 T111 D129 L130	Q80-R114 PolarHBondContact O-NH2 2.99Å; E85-R114 WeakPolarHBondContact OE1-CG 3.25Å; E85-R114 IonicContact OE1-CZ 2.75Å; E85-R114 IonicContact OE1-NE 2.94Å; E85-R114 PolarHBondContact OE1-NE 2.69Å; E85-R114 IonicContact OE1-NH2 3.73Å; E85-R114 IonicContact OE2-CZ 3.28Å; E85-R114 IonicContact OE2-NE 2.65Å; E85-R114 PolarHBondContact OE2-NE 2.72Å; E85-R114 IonicContact OE2-NH2 2.85Å; E85-R114 PolarHBondContact OE2-NH2 2.73Å; T111-R114 PolarHBondContact N-O 3Å; T111-R114 PolarHBondContact OG1-N 2.94Å; T111-R114 PolarHBondContact OG1-O 3.26Å; R114-D129 WeakPolarHBondContact CD-OD1 3.49Å; R114-D129 IonicContact CZ-OD2 3.93Å; R114-D129 IonicContact NH1-OD1 3.1Å; R114-D129 IonicContact NH1-OD2 3.21Å; R114-D129 PolarHBondContact NH1-OD2 3.45Å; R114-L130 CarbonylContact C-O 3.59Å; R114-L130 VanDerWaalsContact CA-O 3.25Å; R114-L130 WeakPolarHBondContact CA-O 3.32Å; R114-L130 WeakPolarHBondContact CB-O 3.27Å
115	L	96.9	Very high	93.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	126.5	159.6	178.6	154.6	0	0	0	107.5	V108 M109 V110 L130 L132 F164 L181	V108-L115 HydrophobicContact CG1-CD1 4.08Å; V108-L115 HydrophobicContact CG1-CD2 4.31Å; V108-L115 HydrophobicContact CG1-CG 3.89Å; M109-L115 CarbonylContact O-C 3.59Å; M109-L115 WeakPolarHBondContact O-CA 3.39Å; V110-L115 HydrophobicContact CG2-CD1 4.34Å; V110-L115 HydrophobicContact CG2-CG 4.37Å; L115-L130 HydrophobicContact CB-CB 4.34Å; L115-L130 HydrophobicContact CB-CD2 4.36Å; L115-L130 PolarHBondContact N-O 3.02Å; L115-L130 PolarHBondContact O-N 3.1Å; L115-L132 HydrophobicContact CB-CD2 4.11Å; L115-F164 HydrophobicContact CD2-CZ 3.96Å; L115-L181 HydrophobicContact CB-CD1 4.48Å; L115-L181 HydrophobicContact CD1-CD1 3.97Å; L115-L181 HydrophobicContact CD1-CD2 3.96Å
116	F	96.3	Very high	93	Very high	15 Å²	15	34.3 Å²	34.3	7%	0.066	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	128.6	175.5	-175.5	-100.2	0	0	0	109.8	P79 V108 M109 K118 M127 L128 D129	P79-F116 HydrophobicContact CB-CD1 3.99Å; P79-F116 HydrophobicContact CB-CD2 4.16Å; P79-F116 HydrophobicContact CB-CE1 3.92Å; P79-F116 HydrophobicContact CB-CE2 4.12Å; P79-F116 HydrophobicContact CB-CG 4.09Å; P79-F116 HydrophobicContact CB-CZ 3.99Å; P79-F116 HydrophobicContact CG-CD1 3.61Å; P79-F116 HydrophobicContact CG-CE1 3.81Å; P79-F116 HydrophobicContact CG-CG 4Å; P79-F116 HydrophobicContact CG-CZ 4.4Å; V108-F116 CarbonylContact C-O 3.58Å; V108-F116 WeakPolarHBondContact CA-O 3.32Å; M109-F116 HydrophobicContact CB-CB 4.4Å; M109-F116 HydrophobicContact CE-CD1 4.47Å; M109-F116 PolarHBondContact N-O 3.31Å; M109-F116 PolarHBondContact O-N 2.95Å; F116-K118 HydrophobicContact CD1-CB 4.48Å; F116-K118 HydrophobicContact CE1-CB 3.76Å; F116-K118 HydrophobicContact CE1-CD 4.33Å; F116-K118 HydrophobicContact CZ-CB 4.37Å; F116-M127 HydrophobicContact CE2-CB 4.26Å; F116-M127 HydrophobicContact CE2-CG 4.48Å; F116-M127 HydrophobicContact CE2-SD 4.34Å; F116-M127 HydrophobicContact CZ-CB 4.24Å; F116-M127 HydrophobicContact CZ-CG 3.99Å; F116-M127 HydrophobicContact CZ-SD 3.81Å; F116-L128 CarbonylContact C-O 3.52Å; F116-L128 VanDerWaalsContact CA-O 3.29Å; F116-L128 WeakPolarHBondContact CA-O 3.47Å; F116-D129 HydrophobicContact CD2-CB 4.24Å
117	F	95.5	Very high	92.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	134.9	172.7	168.4	-92.8	0	0	0	110.3	Y96 L104 T107 V108 F126 M127 L128 F164	Y96-F117 HydrophobicContact CD1-CD1 4.33Å; Y96-F117 HydrophobicContact CD1-CE1 4.09Å; Y96-F117 HydrophobicContact CG-CD1 4.39Å; Y96-F117 HydrophobicContact CG-CE1 4.22Å; L104-F117 HydrophobicContact CB-CE1 4.25Å; L104-F117 HydrophobicContact CB-CZ 4.21Å; L104-F117 WeakPolarHBondContact O-CZ 3.41Å; T107-F117 VanDerWaalsContact O-CA 3.31Å; T107-F117 WeakPolarHBondContact O-CA 3.28Å; V108-F117 HydrophobicContact CG2-CB 4.3Å; V108-F117 HydrophobicContact CG2-CD2 3.71Å; V108-F117 HydrophobicContact CG2-CG 4.48Å; F117-F126 AromaticContact CD1-CD1 3.86Å; F117-F126 HydrophobicContact CD1-CD1 3.86Å; F117-F126 AromaticContact CD1-CE1 3.87Å; F117-F126 HydrophobicContact CD1-CE1 3.87Å; F117-F126 AromaticContact CE1-CD1 3.72Å; F117-F126 HydrophobicContact CE1-CD1 3.72Å; F117-F126 AromaticContact CE1-CE1 3.96Å; F117-F126 HydrophobicContact CE1-CE1 3.96Å; F117-M127 CarbonylContact O-C 3.55Å; F117-M127 WeakPolarHBondContact O-CA 3.41Å; F117-L128 HydrophobicContact CB-CB 4.12Å; F117-L128 HydrophobicContact CB-CD2 4.36Å; F117-L128 HydrophobicContact CD1-CB 4.38Å; F117-L128 PolarHBondContact N-O 3.03Å; F117-L128 PolarHBondContact O-N 3.45Å; F117-F164 HydrophobicContact CB-CE1 4.24Å; F117-F164 HydrophobicContact CD2-CE1 4.28Å; F117-F164 HydrophobicContact CG-CE1 4.26Å
118	K	94.3	Very high	93	Very high	43 Å²	43	34.2 Å²	34.2	19%	0.187	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	129.6	177.5	-174	177.4	-176	-175.8	0	110.5	E77 G106 T107 F116 M120 F126 M127	E77-K118 PolarHBondContact O-NZ 2.92Å; G106-K118 CarbonylContact C-O 3.47Å; G106-K118 WeakPolarHBondContact CA-O 3.43Å; T107-K118 PolarHBondContact N-O 2.8Å; T107-K118 PolarHBondContact O-N 3.48Å; F116-K118 HydrophobicContact CD1-CB 4.48Å; F116-K118 HydrophobicContact CE1-CB 3.76Å; F116-K118 HydrophobicContact CE1-CD 4.33Å; F116-K118 HydrophobicContact CZ-CB 4.37Å; K118-M120 HydrophobicContact CD-SD 4.48Å; K118-M120 VanDerWaalsContact CE-SD 3.57Å; K118-M120 HydrophobicContact CG-SD 4.46Å; K118-F126 CarbonylContact C-O 3.48Å; K118-F126 WeakPolarHBondContact CA-O 3.2Å; K118-M127 HydrophobicContact CG-CG 4.21Å
119	S	94.1	Very high	93.1	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.007	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	129.1	173.6	173.6	0	0	0	0	109.6	R105 D121 F126	R105-S119 WeakPolarHBondContact O-CB 3.31Å; R105-S119 PolarHBondContact O-OG 3.11Å; S119-D121 VanDerWaalsContact C-N 3.32Å; S119-D121 WeakPolarHBondContact OG-CB 3.29Å; S119-D121 PolarHBondContact OG-N 3.13Å; S119-D121 PolarHBondContact OG-OD2 3.05Å; S119-F126 PolarHBondContact N-O 2.98Å; S119-F126 PolarHBondContact O-N 3.49Å
120	M	91.3	Very high	93.2	Very high	112 Å²	112	34.8 Å²	34.8	55%	0.552	18%	0.179	S	C	*	.			trans	-92.4	6	175.9	-58.1	-61.2	-70.5	0	0	111.9	K118 K122 A125	K118-M120 HydrophobicContact CD-SD 4.48Å; K118-M120 VanDerWaalsContact CE-SD 3.57Å; K118-M120 HydrophobicContact CG-SD 4.46Å; M120-K122 PolarHBondContact O-N 3.22Å; M120-K122 VanDerWaalsContact O-N 3.14Å; M120-A125 HydrophobicContact CE-CB 4.37Å; M120-A125 HydrophobicContact SD-CB 3.62Å
121	D	88.2	Confident	93.3	Very high	108 Å²	108	36 Å²	36	58%	0.578	19%	0.187	S	C	*	.	S	Bend	trans	-68.7	-9.2	-179.1	-64.3	-15.4	0	0	0	112.7	R105 S119	R105-D121 PolarHBondContact N-OD2 3.33Å; S119-D121 VanDerWaalsContact C-N 3.32Å; S119-D121 WeakPolarHBondContact OG-CB 3.29Å; S119-D121 PolarHBondContact OG-N 3.13Å; S119-D121 PolarHBondContact OG-OD2 3.05Å
122	K	83.1	Confident	93.3	Very high	82 Å²	82	36.1 Å²	36.1	36%	0.357	19%	0.188	S	C	.	.	S	Bend	trans	-128.1	152.5	179	-68.3	-172.4	172.3	173.6	0	110.4	T101 L104 M120 P124 A125	T101-K122 PolarHBondContact O-NZ 3.08Å; T101-K122 PolarHBondContact OG1-NZ 3.46Å; T101-K122 VanDerWaalsContact OG1-NZ 3.1Å; L104-K122 HydrophobicContact CD2-CD 3.99Å; L104-K122 HydrophobicContact CD2-CG 4.32Å; M120-K122 PolarHBondContact O-N 3.22Å; M120-K122 VanDerWaalsContact O-N 3.14Å; K122-P124 CarbonylContact C-O 3.59Å; K122-P124 CarbonylContact O-C 3.52Å; K122-A125 VanDerWaalsContact O-CA 3.27Å; K122-A125 WeakPolarHBondContact O-CA 3.17Å; K122-A125 PolarHBondContact O-N 3.13Å
123	D	84.9	Confident	93.4	Very high	148 Å²	148	35.8 Å²	35.8	79%	0.791	19%	0.188	S	C	*	.	S	Bend	trans	-118.3	118.9	169.2	-172.9	17.5	0	0	0	109
124	P	86.6	Confident	93.4	Very high	57 Å²	57	35.2 Å²	35.2	37%	0.37	19%	0.186	S	C	.	.	S	Bend	cis	-63.9	157	-6.4	29	-37.1	0	0	0	113	S48 K122 F126	S48-P124 WeakPolarHBondContact O-CD 3.4Å; K122-P124 CarbonylContact C-O 3.59Å; K122-P124 CarbonylContact O-C 3.52Å; P124-F126 PolarHBondContact O-N 3.17Å
125	A	89.1	Confident	93.4	Very high	21 Å²	21	34.4 Å²	34.4	17%	0.174	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-52.1	138.4	178	0	0	0	0	0	111.8	S50 M120 K122	S50-A125 PolarHBondContact OG-O 3.32Å; M120-A125 HydrophobicContact CE-CB 4.37Å; M120-A125 HydrophobicContact SD-CB 3.62Å; K122-A125 VanDerWaalsContact O-CA 3.27Å; K122-A125 WeakPolarHBondContact O-CA 3.17Å; K122-A125 PolarHBondContact O-N 3.13Å
126	F	91.6	Very high	93.5	Very high	10 Å²	10	35.4 Å²	35.4	4%	0.044	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	124.7	174.8	-179.8	-79.8	0	0	0	109.1	T51 Y96 L104 F117 K118 S119 P124 L128	T51-F126 WeakPolarHBondContact OG1-CD2 3.39Å; T51-F126 WeakPolarHBondContact OG1-CE2 3.47Å; Y96-F126 AromaticContact CD1-CE1 3.66Å; Y96-F126 HydrophobicContact CD1-CE1 3.66Å; Y96-F126 AromaticContact CD1-CZ 3.87Å; Y96-F126 HydrophobicContact CD1-CZ 3.87Å; Y96-F126 AromaticContact CE1-CE1 3.69Å; Y96-F126 HydrophobicContact CE1-CE1 3.69Å; Y96-F126 HydrophobicContact CE1-CE2 4.41Å; Y96-F126 AromaticContact CE1-CZ 3.43Å; Y96-F126 HydrophobicContact CE1-CZ 3.43Å; Y96-F126 VanDerWaalsContact CE1-CZ 3.43Å; L104-F126 HydrophobicContact CD1-CB 3.99Å; L104-F126 HydrophobicContact CD1-CD1 3.65Å; L104-F126 HydrophobicContact CD1-CD2 3.37Å; L104-F126 HydrophobicContact CD1-CE1 3.96Å; L104-F126 HydrophobicContact CD1-CE2 3.68Å; L104-F126 HydrophobicContact CD1-CG 3.39Å; L104-F126 HydrophobicContact CD1-CZ 4.01Å; F117-F126 AromaticContact CD1-CD1 3.86Å; F117-F126 HydrophobicContact CD1-CD1 3.86Å; F117-F126 AromaticContact CD1-CE1 3.87Å; F117-F126 HydrophobicContact CD1-CE1 3.87Å; F117-F126 AromaticContact CE1-CD1 3.72Å; F117-F126 HydrophobicContact CE1-CD1 3.72Å; F117-F126 AromaticContact CE1-CE1 3.96Å; F117-F126 HydrophobicContact CE1-CE1 3.96Å; K118-F126 CarbonylContact C-O 3.48Å; K118-F126 WeakPolarHBondContact CA-O 3.2Å; S119-F126 PolarHBondContact N-O 2.98Å; S119-F126 PolarHBondContact O-N 3.49Å; P124-F126 PolarHBondContact O-N 3.17Å; F126-L128 HydrophobicContact CE1-CB 4.01Å
127	M	92.4	Very high	93.5	Very high	49 Å²	49	38.5 Å²	38.5	24%	0.241	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	172.4	173.5	-67.2	-175.2	-77.3	0	0	110.9	S52 A53 F116 F117 K118	S52-M127 WeakPolarHBondContact CB-O 3.45Å; S52-M127 VanDerWaalsContact OG-CA 3.32Å; S52-M127 WeakPolarHBondContact OG-CA 3.43Å; S52-M127 PolarHBondContact OG-N 3.21Å; S52-M127 PolarHBondContact OG-O 3.43Å; A53-M127 HydrophobicContact CB-CE 3.24Å; F116-M127 HydrophobicContact CE2-CB 4.26Å; F116-M127 HydrophobicContact CE2-CG 4.48Å; F116-M127 HydrophobicContact CE2-SD 4.34Å; F116-M127 HydrophobicContact CZ-CB 4.24Å; F116-M127 HydrophobicContact CZ-CG 3.99Å; F116-M127 HydrophobicContact CZ-SD 3.81Å; F117-M127 CarbonylContact O-C 3.55Å; F117-M127 WeakPolarHBondContact O-CA 3.41Å; K118-M127 HydrophobicContact CG-CG 4.21Å
128	L	93.9	Very high	93.4	Very high	9 Å²	9	39.3 Å²	39.3	5%	0.047	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	111.9	168.9	162.9	66.8	0	0	0	105.7	Y96 F116 F117 F126 L162 F164	Y96-L128 HydrophobicContact CD2-CD2 4.35Å; Y96-L128 HydrophobicContact CE1-CD2 4.46Å; Y96-L128 HydrophobicContact CE2-CD2 4.13Å; F116-L128 CarbonylContact C-O 3.52Å; F116-L128 VanDerWaalsContact CA-O 3.29Å; F116-L128 WeakPolarHBondContact CA-O 3.47Å; F117-L128 HydrophobicContact CB-CB 4.12Å; F117-L128 HydrophobicContact CB-CD2 4.36Å; F117-L128 HydrophobicContact CD1-CB 4.38Å; F117-L128 PolarHBondContact N-O 3.03Å; F117-L128 PolarHBondContact O-N 3.45Å; F126-L128 HydrophobicContact CE1-CB 4.01Å; L128-L162 HydrophobicContact CD1-CD1 4.45Å; L128-L162 HydrophobicContact CD1-CD2 4.37Å; L128-L162 HydrophobicContact CD2-CD1 4.12Å; L128-L162 HydrophobicContact CD2-CD2 4.2Å; L128-F164 HydrophobicContact CD2-CE1 4.34Å; L128-F164 HydrophobicContact CD2-CZ 3.8Å
129	D	95.1	Very high	93.2	Very high	23 Å²	23	41 Å²	41	12%	0.123	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	124.1	176.7	-166.3	-14.6	0	0	0	108.9	S56 R114 F116	S56-D129 PolarHBondContact OG-OD2 3.3Å; R114-D129 WeakPolarHBondContact CD-OD1 3.49Å; R114-D129 IonicContact CZ-OD2 3.93Å; R114-D129 IonicContact NH1-OD1 3.1Å; R114-D129 IonicContact NH1-OD2 3.21Å; R114-D129 PolarHBondContact NH1-OD2 3.45Å; F116-D129 HydrophobicContact CD2-CB 4.24Å
130	L	97.1	Very high	92.8	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	102.6	-177.3	176.4	73.6	0	0	0	109.8	R114 L115 L132 V134 V135 V154 L162	R114-L130 CarbonylContact C-O 3.59Å; R114-L130 VanDerWaalsContact CA-O 3.25Å; R114-L130 WeakPolarHBondContact CA-O 3.32Å; R114-L130 WeakPolarHBondContact CB-O 3.27Å; L115-L130 HydrophobicContact CB-CB 4.34Å; L115-L130 HydrophobicContact CB-CD2 4.36Å; L115-L130 PolarHBondContact N-O 3.02Å; L115-L130 PolarHBondContact O-N 3.1Å; L130-L132 PolarHBondContact O-N 2.82Å; L130-V134 HydrophobicContact CD1-CB 4.14Å; L130-V134 HydrophobicContact CD1-CG1 4.08Å; L130-V135 HydrophobicContact CD2-CG2 3.94Å; L130-V154 HydrophobicContact CD2-CG1 4.1Å; L130-L162 HydrophobicContact CD1-CD1 4.31Å; L130-L162 HydrophobicContact CD2-CD1 3.64Å; L130-L162 HydrophobicContact CG-CD1 4.41Å
131	P	98.1	Very high	92.3	Very high	26 Å²	26	46.4 Å²	46.4	17%	0.169	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	131.3	168	-24.4	34.1	0	0	0	110.9	Y113 G133 V134	Y113-P131 HydrophobicContact CE2-CB 4.18Å; P131-G133 VanDerWaalsContact C-N 3.27Å; P131-G133 PolarHBondContact O-N 2.88Å; P131-V134 HydrophobicContact CB-CG2 4.07Å; P131-V134 HydrophobicContact CG-CG2 4.48Å; P131-V134 VanDerWaalsContact O-CB 3.22Å; P131-V134 WeakPolarHBondContact O-CB 3.47Å; P131-V134 WeakPolarHBondContact O-CG2 3.28Å; P131-V134 PolarHBondContact O-N 3.07Å; P131-V134 VanDerWaalsContact O-N 3.09Å
132	L	98.4	Very high	91.4	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.021	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-64.4	-29.9	-172.7	-73.9	-176	0	0	0	113	V110 T111 Y113 L115 L130 V134 V135 L181 F184 A185	V110-L132 HydrophobicContact CG1-CD1 4.26Å; T111-L132 VanDerWaalsContact O-CD1 3.28Å; T111-L132 WeakPolarHBondContact O-CD1 3.43Å; Y113-L132 VanDerWaalsContact O-CB 3.27Å; Y113-L132 WeakPolarHBondContact O-CB 3.41Å; Y113-L132 WeakPolarHBondContact O-CG 3.33Å; Y113-L132 PolarHBondContact O-N 3.33Å; L115-L132 HydrophobicContact CB-CD2 4.11Å; L130-L132 PolarHBondContact O-N 2.82Å; L132-V134 PolarHBondContact O-N 2.81Å; L132-V134 VanDerWaalsContact O-N 3.15Å; L132-V135 VanDerWaalsContact O-CB 3.31Å; L132-V135 WeakPolarHBondContact O-CB 3.47Å; L132-V135 WeakPolarHBondContact O-CG2 3.37Å; L132-V135 PolarHBondContact O-N 3.44Å; L132-L181 HydrophobicContact CD2-CD1 3.37Å; L132-F184 HydrophobicContact CD1-CB 3.57Å; L132-A185 HydrophobicContact CD2-CB 4.44Å
133	G	98.1	Very high	89.8	Confident	9 Å²	9	46.8 Å²	46.8	9%	0.093	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-63.6	-18	176.1	0	0	0	0	0	114.6	P131 V135 K157 Y515	P131-G133 VanDerWaalsContact C-N 3.27Å; P131-G133 PolarHBondContact O-N 2.88Å; G133-V135 VanDerWaalsContact C-N 3.33Å; G133-K157 PolarHBondContact O-NZ 2.66Å; G133-Y515 CarbonylContact C-O 3.48Å; G133-Y515 WeakPolarHBondContact CA-O 3.16Å
134	V	98.4	Very high	88.2	Confident	4 Å²	4	47.2 Å²	47.2	2%	0.024	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-75.4	-23.1	174.3	-178.6	0	0	0	0	111.8	L130 P131 L132 S136 C156 K157 D158	L130-V134 HydrophobicContact CD1-CB 4.14Å; L130-V134 HydrophobicContact CD1-CG1 4.08Å; P131-V134 HydrophobicContact CB-CG2 4.07Å; P131-V134 HydrophobicContact CG-CG2 4.48Å; P131-V134 VanDerWaalsContact O-CB 3.22Å; P131-V134 WeakPolarHBondContact O-CB 3.47Å; P131-V134 WeakPolarHBondContact O-CG2 3.28Å; P131-V134 PolarHBondContact O-N 3.07Å; P131-V134 VanDerWaalsContact O-N 3.09Å; L132-V134 PolarHBondContact O-N 2.81Å; L132-V134 VanDerWaalsContact O-N 3.15Å; V134-S136 PolarHBondContact O-N 3.28Å; V134-C156 HydrophobicContact CG1-CB 3.99Å; V134-C156 WeakPolarHBondContact O-CA 3.28Å; V134-K157 WeakPolarHBondContact O-CB 3.32Å; V134-K157 VanDerWaalsContact O-CG 3.3Å; V134-K157 WeakPolarHBondContact O-CG 3.33Å; V134-K157 PolarHBondContact O-N 3.09Å; V134-D158 HydrophobicContact CG1-CB 3.82Å; V134-D158 WeakPolarHBondContact CG1-OD1 3.35Å; V134-D158 WeakPolarHBondContact CG1-OD2 3.46Å
135	V	98.6	Very high	86.6	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.006	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	122.8	179.6	-179.2	0	0	0	0	109.3	L130 L132 G133 V138 V154 A185 F186	L130-V135 HydrophobicContact CD2-CG2 3.94Å; L132-V135 VanDerWaalsContact O-CB 3.31Å; L132-V135 WeakPolarHBondContact O-CB 3.47Å; L132-V135 WeakPolarHBondContact O-CG2 3.37Å; L132-V135 PolarHBondContact O-N 3.44Å; G133-V135 VanDerWaalsContact C-N 3.33Å; V135-V138 HydrophobicContact CG1-CG2 3.79Å; V135-V154 HydrophobicContact CB-CG1 4.32Å; V135-V154 HydrophobicContact CG1-CG1 3.76Å; V135-V154 HydrophobicContact CG2-CG1 3.74Å; V135-A185 HydrophobicContact CB-CB 3.97Å; V135-A185 HydrophobicContact CG1-CB 4.08Å; V135-A185 HydrophobicContact CG2-CB 4.3Å; V135-F186 HydrophobicContact CG1-CE1 4.43Å; V135-F186 HydrophobicContact CG1-CZ 3.86Å
136	S	97.6	Very high	84.8	Confident	22 Å²	22	51.7 Å²	51.7	15%	0.154	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-42.1	174.5	-174.5	0	0	0	0	111.5	V134 V155 H473	V134-S136 PolarHBondContact O-N 3.28Å; S136-V155 WeakPolarHBondContact CA-O 3.41Å; S136-V155 VanDerWaalsContact CB-O 3.29Å; S136-V155 WeakPolarHBondContact CB-O 3.49Å; S136-V155 PolarHBondContact N-O 3.08Å; S136-H473 WeakPolarHBondContact O-CB 3.43Å
137	R	96.1	Very high	83	Confident	80 Å²	80	62.2 Å²	62.2	30%	0.302	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	155.9	177	61.4	-178	-161.6	-119	8.1	110.5	E139 V155 H473	R137-E139 HydrophobicContact CG-CG 4.49Å; R137-E139 IonicContact CZ-OE1 3.14Å; R137-E139 IonicContact NE-OE1 2.8Å; R137-E139 PolarHBondContact NE-OE1 3.11Å; R137-E139 IonicContact NE-OE2 2.7Å; R137-E139 IonicContact NH2-OE1 2.64Å; R137-E139 PolarHBondContact NH2-OE1 3.43Å; R137-E139 IonicContact NH2-OE2 3.48Å; R137-V155 HydrophobicContact CG-CB 3.68Å; R137-V155 HydrophobicContact CG-CG1 4.38Å; R137-V155 HydrophobicContact CG-CG2 3.94Å; R137-V155 PolarHBondContact N-O 2.91Å; R137-V155 PolarHBondContact O-N 3.36Å; R137-H473 HydrophobicContact CB-CB 4.08Å
138	V	94.3	Very high	81.4	Confident	16 Å²	16	62.9 Å²	62.9	10%	0.097	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	129.1	172.7	-165.6	0	0	0	0	107.9	V135 Y152 G153 V154 F178 L181 M182 F186	V135-V138 HydrophobicContact CG1-CG2 3.79Å; V138-Y152 HydrophobicContact CG1-CD2 4.19Å; V138-G153 CarbonylContact C-O 3.35Å; V138-G153 WeakPolarHBondContact CA-O 3.36Å; V138-V154 HydrophobicContact CG1-CG2 4.36Å; V138-F178 HydrophobicContact CB-CE2 4.18Å; V138-F178 HydrophobicContact CG1-CD2 3.76Å; V138-F178 HydrophobicContact CG1-CE2 3.51Å; V138-F178 HydrophobicContact CG1-CZ 4.43Å; V138-L181 HydrophobicContact CG1-CD2 4.1Å; V138-L181 HydrophobicContact CG2-CD2 4.02Å; V138-L181 HydrophobicContact CG2-CG 4.13Å; V138-M182 HydrophobicContact CB-CG 4.42Å; V138-M182 HydrophobicContact CB-SD 3.6Å; V138-M182 VanDerWaalsContact CB-SD 3.6Å; V138-M182 HydrophobicContact CG2-SD 3.79Å; V138-F186 HydrophobicContact CG2-CE2 4.24Å; V138-F186 HydrophobicContact CG2-CZ 4.49Å
139	E	90.1	Very high	80.1	Confident	80 Å²	80	66.5 Å²	66.5	37%	0.374	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	137.9	-175.5	-65.4	176	156.6	0	0	109.6	R137 Y152 G153	R137-E139 HydrophobicContact CG-CG 4.49Å; R137-E139 IonicContact CZ-OE1 3.14Å; R137-E139 IonicContact NE-OE1 2.8Å; R137-E139 PolarHBondContact NE-OE1 3.11Å; R137-E139 IonicContact NE-OE2 2.7Å; R137-E139 IonicContact NH2-OE1 2.64Å; R137-E139 PolarHBondContact NH2-OE1 3.43Å; R137-E139 IonicContact NH2-OE2 3.48Å; E139-Y152 CarbonylContact O-C 3.31Å; E139-Y152 WeakPolarHBondContact O-CA 3.46Å; E139-Y152 WeakPolarHBondContact O-CB 3.49Å; E139-G153 PolarHBondContact N-O 2.94Å; E139-G153 PolarHBondContact O-N 3.08Å
140	K	85.7	Confident	79.2	Confident	156 Å²	156	67.3 Å²	67.3	68%	0.678	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.1	134.8	168	-68.3	-174.1	178.8	-176.5	0	109.1	F178	K140-F178 HydrophobicContact CD-CZ 4.41Å; K140-F178 HydrophobicContact CG-CD2 4.22Å; K140-F178 HydrophobicContact CG-CE1 4.42Å; K140-F178 HydrophobicContact CG-CE2 3.67Å; K140-F178 HydrophobicContact CG-CZ 3.8Å
141	I	81.6	Confident	78.7	Confident	70 Å²	70	68.9 Å²	68.9	36%	0.359	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	118.6	-179.9	-58.6	175.8	0	0	0	107.5	S151 R163	I141-S151 PolarHBondContact N-O 2.86Å; I141-S151 VanDerWaalsContact O-CB 3.3Å; I141-S151 WeakPolarHBondContact O-CB 3.3Å; I141-R163 HydrophobicContact CD1-CG 4.03Å
142	G	67.7	Low	78.2	Confident	68 Å²	68	67.9 Å²	67.9	70%	0.701	38%	0.383	S	S	*	.	S	Bend	trans	139.6	149.4	175.8	0	0	0	0	0	113.8
143	N	51.2	Low	78	Confident	130 Å²	130	67.7 Å²	67.7	70%	0.695	38%	0.383	S	S	*	.			trans	-80.1	143.1	171.1	-84.4	-7.2	0	0	0	109.8	S145 S146	N143-S145 WeakPolarHBondContact CB-OG 3.28Å; N143-S145 PolarHBondContact O-N 3.21Å; N143-S146 PolarHBondContact O-N 3.4Å
144	T	51.3	Low	77.9	Confident	157 Å²	157	67.3 Å²	67.3	96%	0.963	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	0.5	171.5	30.4	0	0	0	0	115.3
145	S	51.3	Low	77.9	Confident	99 Å²	99	67.6 Å²	67.6	69%	0.692	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-16.3	-175.3	53.8	0	0	0	0	115.4	N143	N143-S145 WeakPolarHBondContact CB-OG 3.28Å; N143-S145 PolarHBondContact O-N 3.21Å
146	S	51.5	Low	77.8	Confident	73 Å²	73	67.7 Å²	67.7	51%	0.51	38%	0.381	S	S	.	.			trans	-106.1	96.8	175.9	55.6	0	0	0	0	110.8	N143 A148	N143-S146 PolarHBondContact O-N 3.4Å; S146-A148 PolarHBondContact O-N 3.11Å
147	R	54.4	Low	77.9	Confident	230 Å²	230	68 Å²	68	87%	0.868	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	4.6	-177.5	-72.5	-175.8	172.7	176.1	-2.7	116
148	A	58.8	Low	77.9	Confident	63 Å²	63	64.3 Å²	64.3	52%	0.521	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-42.4	-167.6	0	0	0	0	0	114.5	S146 Q168	S146-A148 PolarHBondContact O-N 3.11Å; A148-Q168 PolarHBondContact O-N 3.27Å
149	D	66.4	Low	78	Confident	85 Å²	85	63.8 Å²	63.8	46%	0.455	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	127.8	-170.9	-67	-27.6	0	0	0	111.7	K167	D149-K167 WeakPolarHBondContact OD1-CG 3.3Å
150	S	76.2	Confident	78.3	Confident	41 Å²	41	60.5 Å²	60.5	29%	0.287	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	117.8	171.7	-73.9	0	0	0	0	109.3	S165 H166	S150-S165 WeakPolarHBondContact O-CA 3.49Å; S150-H166 WeakPolarHBondContact CB-NE2 3.33Å; S150-H166 PolarHBondContact N-O 3.28Å; S150-H166 PolarHBondContact O-CD2 3.49Å; S150-H166 PolarHBondContact O-N 2.95Å
151	S	86.1	Confident	78.7	Confident	33 Å²	33	55.7 Å²	55.7	23%	0.231	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	149.6	176.7	-51.4	0	0	0	0	111.6	I141 F164 S165	I141-S151 PolarHBondContact N-O 2.86Å; I141-S151 VanDerWaalsContact O-CB 3.3Å; I141-S151 WeakPolarHBondContact O-CB 3.3Å; S151-F164 CarbonylContact C-O 3.11Å; S151-F164 VanDerWaalsContact CA-O 3.26Å; S151-F164 WeakPolarHBondContact CA-O 3.19Å; S151-S165 VanDerWaalsContact OG-CB 3.25Å; S151-S165 WeakPolarHBondContact OG-CB 3.22Å
152	Y	89.4	Confident	79.4	Confident	4 Å²	4	52.5 Å²	52.5	2%	0.016	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	146.4	174.7	60.2	-87.8	0	0	0	112	V138 E139 V154 F164 I177 F178 L181	V138-Y152 HydrophobicContact CG1-CD2 4.19Å; E139-Y152 CarbonylContact O-C 3.31Å; E139-Y152 WeakPolarHBondContact O-CA 3.46Å; E139-Y152 WeakPolarHBondContact O-CB 3.49Å; Y152-V154 HydrophobicContact CD2-CG2 4.1Å; Y152-V154 HydrophobicContact CE2-CG2 4.2Å; Y152-F164 HydrophobicContact CD1-CB 4.35Å; Y152-F164 HydrophobicContact CD2-CB 4.24Å; Y152-F164 HydrophobicContact CD2-CD2 4.21Å; Y152-F164 HydrophobicContact CE1-CB 3.79Å; Y152-F164 HydrophobicContact CE2-CB 3.67Å; Y152-F164 AromaticContact CE2-CD2 3.56Å; Y152-F164 HydrophobicContact CE2-CD2 3.56Å; Y152-F164 HydrophobicContact CE2-CE2 4.49Å; Y152-F164 AromaticContact CE2-CG 3.89Å; Y152-F164 HydrophobicContact CE2-CG 3.89Å; Y152-F164 VanDerWaalsContact CZ-CB 3.41Å; Y152-F164 AromaticContact CZ-CG 3.91Å; Y152-F164 PolarHBondContact N-O 2.77Å; Y152-F164 PolarHBondContact O-N 3.25Å; Y152-I177 HydrophobicContact CE1-CG2 3.93Å; Y152-F178 HydrophobicContact CG-CD2 4.09Å; Y152-L181 HydrophobicContact CE2-CD2 4.26Å
153	G	92.9	Very high	80.7	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.01	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	136.4	175	0	0	0	0	0	111	V138 E139 L162	V138-G153 CarbonylContact C-O 3.35Å; V138-G153 WeakPolarHBondContact CA-O 3.36Å; E139-G153 PolarHBondContact N-O 2.94Å; E139-G153 PolarHBondContact O-N 3.08Å; G153-L162 CarbonylContact C-O 3.57Å; G153-L162 VanDerWaalsContact CA-O 3.3Å; G153-L162 WeakPolarHBondContact CA-O 3.47Å
154	V	96.5	Very high	82.7	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	105.8	173.4	-172.1	0	0	0	0	107.7	L130 V135 V138 Y152 I161 L162 F164 L181	L130-V154 HydrophobicContact CD2-CG1 4.1Å; V135-V154 HydrophobicContact CB-CG1 4.32Å; V135-V154 HydrophobicContact CG1-CG1 3.76Å; V135-V154 HydrophobicContact CG2-CG1 3.74Å; V138-V154 HydrophobicContact CG1-CG2 4.36Å; Y152-V154 HydrophobicContact CD2-CG2 4.1Å; Y152-V154 HydrophobicContact CE2-CG2 4.2Å; V154-I161 WeakPolarHBondContact O-CA 3.47Å; V154-L162 HydrophobicContact CB-CB 4.21Å; V154-L162 PolarHBondContact N-O 3.21Å; V154-L162 PolarHBondContact O-N 2.94Å; V154-F164 HydrophobicContact CG2-CD2 4.2Å; V154-F164 HydrophobicContact CG2-CE2 4.09Å; V154-L181 HydrophobicContact CG2-CD2 3.85Å
155	V	97.4	Very high	84.6	Confident	11 Å²	11	43.2 Å²	43.2	7%	0.067	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	120.6	177.5	-179	0	0	0	0	108	S136 R137 I161	S136-V155 WeakPolarHBondContact CA-O 3.41Å; S136-V155 VanDerWaalsContact CB-O 3.29Å; S136-V155 WeakPolarHBondContact CB-O 3.49Å; S136-V155 PolarHBondContact N-O 3.08Å; R137-V155 HydrophobicContact CG-CB 3.68Å; R137-V155 HydrophobicContact CG-CG1 4.38Å; R137-V155 HydrophobicContact CG-CG2 3.94Å; R137-V155 PolarHBondContact N-O 2.91Å; R137-V155 PolarHBondContact O-N 3.36Å; V155-I161 HydrophobicContact CG1-CG1 4.49Å; V155-I161 HydrophobicContact CG2-CG2 4.32Å
156	C	98.4	Very high	86.1	Confident	3 Å²	3	40.5 Å²	40.5	2%	0.02	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	154.3	-172.2	-56.9	0	0	0	0	111.8	V134 D158 R160 K369	V134-C156 HydrophobicContact CG1-CB 3.99Å; V134-C156 WeakPolarHBondContact O-CA 3.28Å; C156-D158 VanDerWaalsContact C-N 3.33Å; C156-D158 WeakPolarHBondContact CB-OD1 3.4Å; C156-R160 HydrophobicContact CB-CG 3.9Å; C156-R160 WeakPolarHBondContact CB-O 3.35Å; C156-R160 PolarHBondContact N-O 3.37Å; C156-R160 VanDerWaalsContact N-O 3.07Å; C156-K369 PolarHBondContact O-NZ 2.85Å
157	K	98.3	Very high	87.2	Confident	29 Å²	29	44.1 Å²	44.1	13%	0.126	21%	0.212	C	C	.	.	S	Bend	trans	-74.7	-24.6	177.7	-64.4	169.8	-172	172.7	0	112.4	G133 V134 M159 I466 G467 Y515	G133-K157 PolarHBondContact O-NZ 2.66Å; V134-K157 WeakPolarHBondContact O-CB 3.32Å; V134-K157 VanDerWaalsContact O-CG 3.3Å; V134-K157 WeakPolarHBondContact O-CG 3.33Å; V134-K157 PolarHBondContact O-N 3.09Å; K157-M159 VanDerWaalsContact C-N 3.28Å; K157-M159 PolarHBondContact O-N 3.39Å; K157-I466 HydrophobicContact CD-CG2 4.34Å; K157-I466 WeakPolarHBondContact CE-O 3.34Å; K157-I466 PolarHBondContact NZ-O 3.05Å; K157-G467 PolarHBondContact NZ-O 3.46Å; K157-Y515 HydrophobicContact CB-CD1 3.89Å; K157-Y515 HydrophobicContact CB-CD2 4.19Å; K157-Y515 HydrophobicContact CB-CE1 3.8Å; K157-Y515 HydrophobicContact CB-CE2 4.08Å; K157-Y515 HydrophobicContact CB-CG 4.1Å; K157-Y515 HydrophobicContact CD-CD1 3.62Å; K157-Y515 HydrophobicContact CD-CE1 3.98Å; K157-Y515 HydrophobicContact CD-CG 4.27Å; K157-Y515 HydrophobicContact CG-CD1 4.37Å; K157-Y515 HydrophobicContact CG-CE1 4.41Å
158	D	97.2	Very high	87.6	Confident	2 Å²	2	38.5 Å²	38.5	1%	0.011	20%	0.196	C	C	.	.	S	Bend	trans	-87.9	39.1	-177.5	65.1	-10.6	0	0	0	113.2	V134 C156 R160 W585	V134-D158 HydrophobicContact CG1-CB 3.82Å; V134-D158 WeakPolarHBondContact CG1-OD1 3.35Å; V134-D158 WeakPolarHBondContact CG1-OD2 3.46Å; C156-D158 VanDerWaalsContact C-N 3.33Å; C156-D158 WeakPolarHBondContact CB-OD1 3.4Å; D158-R160 PolarHBondContact O-N 3.3Å; D158-R160 VanDerWaalsContact O-N 3.1Å; D158-R160 WeakPolarHBondContact OD1-CG 3.45Å; D158-R160 IonicContact OD1-NE 3.72Å; D158-R160 PolarHBondContact OD1-NE 2.9Å; D158-R160 IonicContact OD2-CZ 3.43Å; D158-R160 IonicContact OD2-NE 2.69Å; D158-R160 PolarHBondContact OD2-NE 3.23Å; D158-R160 IonicContact OD2-NH2 3.66Å; D158-R160 PolarHBondContact OD2-NH2 3.44Å; D158-W585 HydrophobicContact CB-CZ2 4.2Å; D158-W585 PolarHBondContact O-NE1 3.2Å; D158-W585 WeakPolarHBondContact OD2-CZ2 3.28Å
159	M	96.7	Very high	87.7	Confident	4 Å²	4	41 Å²	41	2%	0.02	20%	0.204	C	C	.	.	S	Bend	trans	70.2	-9.9	176.9	-47.6	-57.3	-78.1	0	0	117.6	K157 L365 L368 K369 V372 Y373 Y582	K157-M159 VanDerWaalsContact C-N 3.28Å; K157-M159 PolarHBondContact O-N 3.39Å; M159-L365 HydrophobicContact CE-CD1 3.89Å; M159-L365 HydrophobicContact SD-CD1 3.78Å; M159-L365 HydrophobicContact SD-CG 4.4Å; M159-L368 HydrophobicContact CE-CD2 4.37Å; M159-L368 HydrophobicContact CE-CG 4.15Å; M159-K369 VanDerWaalsContact CE-CA 3.47Å; M159-K369 HydrophobicContact CE-CB 3.72Å; M159-K369 HydrophobicContact CE-CG 4.34Å; M159-K369 WeakPolarHBondContact O-CE 3.41Å; M159-K369 HydrophobicContact SD-CB 4.29Å; M159-V372 HydrophobicContact CE-CG2 3.91Å; M159-Y373 WeakPolarHBondContact O-CB 3.47Å; M159-Y582 HydrophobicContact CE-CD1 3.77Å; M159-Y582 HydrophobicContact CG-CD1 3.98Å; M159-Y582 HydrophobicContact SD-CD1 4Å
160	R	94.7	Very high	87.1	Confident	12 Å²	12	44.6 Å²	44.6	5%	0.045	22%	0.223	C	C	.	.			trans	-94.3	163.3	177.3	50	176.1	173.6	179.1	-5	114.6	C156 D158 K369 Y373 W585	C156-R160 HydrophobicContact CB-CG 3.9Å; C156-R160 WeakPolarHBondContact CB-O 3.35Å; C156-R160 PolarHBondContact N-O 3.37Å; C156-R160 VanDerWaalsContact N-O 3.07Å; D158-R160 PolarHBondContact O-N 3.3Å; D158-R160 VanDerWaalsContact O-N 3.1Å; D158-R160 WeakPolarHBondContact OD1-CG 3.45Å; D158-R160 IonicContact OD1-NE 3.72Å; D158-R160 PolarHBondContact OD1-NE 2.9Å; D158-R160 IonicContact OD2-CZ 3.43Å; D158-R160 IonicContact OD2-NE 2.69Å; D158-R160 PolarHBondContact OD2-NE 3.23Å; D158-R160 IonicContact OD2-NH2 3.66Å; D158-R160 PolarHBondContact OD2-NH2 3.44Å; R160-K369 PolarHBondContact O-NZ 2.93Å; R160-Y373 HydrophobicContact CB-CD2 4.33Å; R160-Y373 HydrophobicContact CB-CE1 4.35Å; R160-Y373 HydrophobicContact CB-CE2 3.78Å; R160-W585 HydrophobicContact CB-CG 4.14Å; R160-W585 HydrophobicContact CG-CD2 4.39Å; R160-W585 HydrophobicContact CG-CG 4.4Å; R160-W585 HydrophobicContact CG-CZ2 4.49Å
161	I	95.7	Very high	86.3	Confident	55 Å²	55	45.8 Å²	45.8	28%	0.282	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	125.7	168.2	-55.1	174	0	0	0	106.7	V154 V155 Y373	V154-I161 WeakPolarHBondContact O-CA 3.47Å; V155-I161 HydrophobicContact CG1-CG1 4.49Å; V155-I161 HydrophobicContact CG2-CG2 4.32Å; I161-Y373 HydrophobicContact CB-CD1 4.39Å; I161-Y373 HydrophobicContact CB-CE1 3.96Å; I161-Y373 HydrophobicContact CG1-CD1 4.43Å; I161-Y373 HydrophobicContact CG1-CE1 4.48Å; I161-Y373 VanDerWaalsContact O-CE1 3.32Å; I161-Y373 WeakPolarHBondContact O-CE1 3.21Å; I161-Y373 PolarHBondContact O-OH 3.24Å
162	L	95.8	Very high	84.8	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.01	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	144.4	-178.2	-52.5	169.5	0	0	0	109.3	Y96 L128 L130 G153 V154 F164	Y96-L162 HydrophobicContact CE2-CB 4.18Å; Y96-L162 HydrophobicContact CE2-CD2 3.91Å; Y96-L162 WeakPolarHBondContact OH-CD2 3.49Å; L128-L162 HydrophobicContact CD1-CD1 4.45Å; L128-L162 HydrophobicContact CD1-CD2 4.37Å; L128-L162 HydrophobicContact CD2-CD1 4.12Å; L128-L162 HydrophobicContact CD2-CD2 4.2Å; L130-L162 HydrophobicContact CD1-CD1 4.31Å; L130-L162 HydrophobicContact CD2-CD1 3.64Å; L130-L162 HydrophobicContact CG-CD1 4.41Å; G153-L162 CarbonylContact C-O 3.57Å; G153-L162 VanDerWaalsContact CA-O 3.3Å; G153-L162 WeakPolarHBondContact CA-O 3.47Å; V154-L162 HydrophobicContact CB-CB 4.21Å; V154-L162 PolarHBondContact N-O 3.21Å; V154-L162 PolarHBondContact O-N 2.94Å; L162-F164 HydrophobicContact CB-CE2 3.73Å; L162-F164 HydrophobicContact CB-CZ 4.32Å; L162-F164 HydrophobicContact CD1-CE2 4.47Å
163	R	95.1	Very high	83	Confident	148 Å²	148	58.1 Å²	58.1	56%	0.558	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130	129.9	179.8	-69.5	-177.3	-179.8	170.7	0.7	109.9	Y96 F97 I141	Y96-R163 VanDerWaalsContact CD2-O 3.31Å; Y96-R163 WeakPolarHBondContact CD2-O 3.41Å; F97-R163 HydrophobicContact CB-CB 4.17Å; F97-R163 HydrophobicContact CD2-CB 4.29Å; F97-R163 PolarHBondContact N-O 3.39Å; I141-R163 HydrophobicContact CD1-CG 4.03Å
164	F	93.2	Very high	81.4	Confident	1 Å²	1	65.7 Å²	65.7	0%	0.004	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	149.2	179.1	-60.1	-89.2	0	0	0	109.7	I94 T95 Y96 V108 L115 F117 L128 S151 Y152 V154 L162	I94-F164 HydrophobicContact CG2-CB 4.05Å; I94-F164 HydrophobicContact CG2-CD1 3.84Å; I94-F164 HydrophobicContact CG2-CG 4.4Å; T95-F164 CarbonylContact O-C 3.47Å; T95-F164 VanDerWaalsContact O-CA 3.23Å; T95-F164 WeakPolarHBondContact O-CA 3.44Å; Y96-F164 HydrophobicContact CD2-CD1 4.05Å; Y96-F164 AromaticContact CD2-CE1 3.67Å; Y96-F164 HydrophobicContact CD2-CE1 3.67Å; Y96-F164 HydrophobicContact CD2-CE2 4.48Å; Y96-F164 AromaticContact CD2-CZ 3.92Å; Y96-F164 HydrophobicContact CD2-CZ 3.92Å; Y96-F164 HydrophobicContact CE2-CZ 4.46Å; Y96-F164 HydrophobicContact CG-CD1 4.44Å; Y96-F164 HydrophobicContact CG-CE1 4.06Å; V108-F164 HydrophobicContact CG2-CD1 4.14Å; V108-F164 HydrophobicContact CG2-CE1 4.14Å; L115-F164 HydrophobicContact CD2-CZ 3.96Å; F117-F164 HydrophobicContact CB-CE1 4.24Å; F117-F164 HydrophobicContact CD2-CE1 4.28Å; F117-F164 HydrophobicContact CG-CE1 4.26Å; L128-F164 HydrophobicContact CD2-CE1 4.34Å; L128-F164 HydrophobicContact CD2-CZ 3.8Å; S151-F164 CarbonylContact C-O 3.11Å; S151-F164 VanDerWaalsContact CA-O 3.26Å; S151-F164 WeakPolarHBondContact CA-O 3.19Å; Y152-F164 HydrophobicContact CD1-CB 4.35Å; Y152-F164 HydrophobicContact CD2-CB 4.24Å; Y152-F164 HydrophobicContact CD2-CD2 4.21Å; Y152-F164 HydrophobicContact CE1-CB 3.79Å; Y152-F164 HydrophobicContact CE2-CB 3.67Å; Y152-F164 AromaticContact CE2-CD2 3.56Å; Y152-F164 HydrophobicContact CE2-CD2 3.56Å; Y152-F164 HydrophobicContact CE2-CE2 4.49Å; Y152-F164 AromaticContact CE2-CG 3.89Å; Y152-F164 HydrophobicContact CE2-CG 3.89Å; Y152-F164 VanDerWaalsContact CZ-CB 3.41Å; Y152-F164 AromaticContact CZ-CG 3.91Å; Y152-F164 PolarHBondContact N-O 2.77Å; Y152-F164 PolarHBondContact O-N 3.25Å; V154-F164 HydrophobicContact CG2-CD2 4.2Å; V154-F164 HydrophobicContact CG2-CE2 4.09Å; L162-F164 HydrophobicContact CB-CE2 3.73Å; L162-F164 HydrophobicContact CB-CZ 4.32Å; L162-F164 HydrophobicContact CD1-CE2 4.47Å
165	S	89.9	Confident	79.8	Confident	11 Å²	11	72.2 Å²	72.2	8%	0.077	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	152.4	165.6	66	0	0	0	0	111.3	T95 F97 S150 S151	T95-S165 PolarHBondContact N-O 3.43Å; T95-S165 PolarHBondContact O-N 3.36Å; F97-S165 VanDerWaalsContact CE2-OG 3.24Å; F97-S165 WeakPolarHBondContact CE2-OG 3.3Å; F97-S165 WeakPolarHBondContact CZ-OG 3.47Å; S150-S165 WeakPolarHBondContact O-CA 3.49Å; S151-S165 VanDerWaalsContact OG-CB 3.25Å; S151-S165 WeakPolarHBondContact OG-CB 3.22Å
166	H	83.3	Confident	78.9	Confident	43 Å²	43	73.2 Å²	73.2	20%	0.199	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	152.9	170.3	71.8	91.4	0	0	0	109.9	I94 S150	I94-H166 HydrophobicContact CG1-CB 4.09Å; S150-H166 WeakPolarHBondContact CB-NE2 3.33Å; S150-H166 PolarHBondContact N-O 3.28Å; S150-H166 PolarHBondContact O-CD2 3.49Å; S150-H166 PolarHBondContact O-N 2.95Å
167	K	74.6	Confident	78.3	Confident	148 Å²	148	73.6 Å²	73.6	64%	0.643	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.1	135.9	169.1	-69.9	-175.1	175.7	-174.8	0	108.6	D149 V169	D149-K167 WeakPolarHBondContact OD1-CG 3.3Å; K167-V169 PolarHBondContact O-N 3.33Å
168	Q	63.4	Low	77.7	Confident	112 Å²	112	73.6 Å²	73.6	52%	0.523	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-67.2	123.2	177.5	-163.7	171	-2	0	0	108.6	A148	A148-Q168 PolarHBondContact O-N 3.27Å
169	V	59.8	Low	77.4	Confident	115 Å²	115	78.2 Å²	78.2	70%	0.697	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-93	131.8	173.4	-173.4	0	0	0	0	107	K167 D171	K167-V169 PolarHBondContact O-N 3.33Å; V169-D171 HydrophobicContact CG1-CB 4.15Å; V169-D171 PolarHBondContact O-N 2.95Å
170	D	55.6	Low	77.2	Confident	161 Å²	161	78.6 Å²	78.6	86%	0.861	39%	0.389	S	S	*	.	S	Bend	trans	-68	10.5	-178	-79	-33.3	0	0	0	114.6	T172	D170-T172 PolarHBondContact O-N 3.34Å
171	D	58.2	Low	77.1	Confident	66 Å²	66	78.1 Å²	78.1	35%	0.353	39%	0.387	S	S	.	.			trans	-88.8	94	-177.5	-168.5	-2.9	0	0	0	111	V169 L173 K174	V169-D171 HydrophobicContact CG1-CB 4.15Å; V169-D171 PolarHBondContact O-N 2.95Å; D171-L173 PolarHBondContact O-N 2.89Å; D171-L173 VanDerWaalsContact O-N 3.12Å; D171-L173 PolarHBondContact OD1-N 2.84Å; D171-K174 PolarHBondContact O-N 3.31Å
172	T	55.1	Low	77.1	Confident	140 Å²	140	78 Å²	78	86%	0.859	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-8.2	-178.4	51.6	0	0	0	0	114.4	D170	D170-T172 PolarHBondContact O-N 3.34Å
173	L	51.3	Low	77.1	Confident	157 Å²	157	81.8 Å²	81.8	82%	0.822	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-17.5	-178.1	-64.3	172.9	0	0	0	113.7	D171	D171-L173 PolarHBondContact O-N 2.89Å; D171-L173 VanDerWaalsContact O-N 3.12Å; D171-L173 PolarHBondContact OD1-N 2.84Å
174	K	58.3	Low	77.2	Confident	160 Å²	160	76.1 Å²	76.1	70%	0.696	38%	0.382	S	S	*	.	S	Bend	trans	-88.1	127	177.6	-75	-174.9	-179.9	-178.4	0	111.1	D171 S176	D171-K174 PolarHBondContact O-N 3.31Å; K174-S176 PolarHBondContact O-N 3.36Å
175	K	63.7	Low	77.4	Confident	137 Å²	137	76.2 Å²	76.2	60%	0.596	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-59.1	134.7	167.5	-67.9	-178.6	-177.3	173.2	0	108.5	V180	K175-V180 HydrophobicContact CB-CG2 4.25Å
176	S	79	Confident	77.8	Confident	32 Å²	32	75.8 Å²	75.8	22%	0.224	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-69.4	148.6	174.7	65.5	0	0	0	0	110.3	K174 F178 E179 V180	K174-S176 PolarHBondContact O-N 3.36Å; S176-F178 PolarHBondContact O-N 2.83Å; S176-E179 WeakPolarHBondContact O-CB 3.44Å; S176-E179 PolarHBondContact O-N 3.06Å; S176-E179 WeakPolarHBondContact OG-CG 3.38Å; S176-E179 PolarHBondContact OG-N 3.41Å; S176-V180 PolarHBondContact O-N 3.24Å
177	I	85.1	Confident	78.5	Confident	10 Å²	10	74.5 Å²	74.5	5%	0.051	38%	0.375	C	S	.	.	H	α-helix	trans	-52.5	-29.6	172.9	-162.9	64.1	0	0	0	111.7	D89 A91 I94 V108 V110 Y152 L181	D89-I177 HydrophobicContact CB-CD1 3.93Å; A91-I177 HydrophobicContact CB-CB 4.4Å; A91-I177 HydrophobicContact CB-CD1 4.43Å; A91-I177 HydrophobicContact CB-CG1 4.48Å; I94-I177 HydrophobicContact CD1-CG2 4.14Å; V108-I177 HydrophobicContact CG1-CD1 4.36Å; V108-I177 HydrophobicContact CG1-CG1 4.06Å; V110-I177 HydrophobicContact CB-CD1 4.23Å; V110-I177 HydrophobicContact CG2-CD1 3.64Å; V110-I177 HydrophobicContact CG2-CG1 4.07Å; Y152-I177 HydrophobicContact CE1-CG2 3.93Å; I177-L181 VanDerWaalsContact O-CB 3.24Å; I177-L181 WeakPolarHBondContact O-CB 3.36Å; I177-L181 PolarHBondContact O-N 3.15Å
178	F	86.5	Confident	79.6	Confident	30 Å²	30	71 Å²	71	13%	0.132	37%	0.366	C	S	.	.	H	α-helix	trans	-62.1	-45.4	173.3	175.8	-85.6	0	0	0	112.6	V138 K140 Y152 S176 L181 M182	V138-F178 HydrophobicContact CB-CE2 4.18Å; V138-F178 HydrophobicContact CG1-CD2 3.76Å; V138-F178 HydrophobicContact CG1-CE2 3.51Å; V138-F178 HydrophobicContact CG1-CZ 4.43Å; K140-F178 HydrophobicContact CD-CZ 4.41Å; K140-F178 HydrophobicContact CG-CD2 4.22Å; K140-F178 HydrophobicContact CG-CE1 4.42Å; K140-F178 HydrophobicContact CG-CE2 3.67Å; K140-F178 HydrophobicContact CG-CZ 3.8Å; Y152-F178 HydrophobicContact CG-CD2 4.09Å; S176-F178 PolarHBondContact O-N 2.83Å; F178-L181 PolarHBondContact O-N 3.28Å; F178-M182 HydrophobicContact CD1-CG 4.21Å; F178-M182 HydrophobicContact CE1-CG 3.78Å; F178-M182 HydrophobicContact CZ-CG 3.97Å; F178-M182 HydrophobicContact CZ-SD 4.44Å; F178-M182 WeakPolarHBondContact O-CB 3.37Å; F178-M182 VanDerWaalsContact O-CG 3.32Å; F178-M182 WeakPolarHBondContact O-CG 3.48Å; F178-M182 PolarHBondContact O-N 3.05Å
179	E	89.3	Confident	81.3	Confident	99 Å²	99	67.5 Å²	67.5	46%	0.463	35%	0.353	S	S	.	.	H	α-helix	trans	-66.9	-40.3	178.1	-74.1	167.4	-163.5	0	0	111.8	S176 M182 K183	S176-E179 WeakPolarHBondContact O-CB 3.44Å; S176-E179 PolarHBondContact O-N 3.06Å; S176-E179 WeakPolarHBondContact OG-CG 3.38Å; S176-E179 PolarHBondContact OG-N 3.41Å; E179-M182 PolarHBondContact O-N 3.44Å; E179-K183 WeakPolarHBondContact O-CB 3.22Å; E179-K183 PolarHBondContact O-N 3.29Å
180	V	93	Very high	83.1	Confident	12 Å²	12	65.6 Å²	65.6	7%	0.073	34%	0.339	C	S	.	.	H	α-helix	trans	-63.2	-47.8	175.5	-180	0	0	0	0	109.7	Q88 D89 V110 K175 S176 M182 K183 F184	Q88-V180 HydrophobicContact CB-CG1 3.72Å; D89-V180 HydrophobicContact CB-CB 4.18Å; D89-V180 HydrophobicContact CB-CG1 3.86Å; D89-V180 HydrophobicContact CB-CG2 3.85Å; V110-V180 HydrophobicContact CB-CG1 4.14Å; V110-V180 HydrophobicContact CG1-CG1 3.91Å; K175-V180 HydrophobicContact CB-CG2 4.25Å; S176-V180 PolarHBondContact O-N 3.24Å; V180-M182 PolarHBondContact O-N 2.86Å; V180-K183 WeakPolarHBondContact O-CB 3.49Å; V180-K183 PolarHBondContact O-N 2.93Å; V180-K183 VanDerWaalsContact O-N 3.12Å; V180-F184 HydrophobicContact CG1-CD2 3.77Å; V180-F184 HydrophobicContact CG1-CE2 4.03Å; V180-F184 VanDerWaalsContact O-CD2 3.3Å; V180-F184 WeakPolarHBondContact O-CD2 3.47Å; V180-F184 PolarHBondContact O-N 3.36Å
181	L	94	Very high	85.1	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.005	34%	0.335	C	S	.	.	H	α-helix	trans	-58.4	-47	175.8	-177.8	60.5	0	0	0	111.9	L115 L132 V138 Y152 V154 I177 F178 K183 F184 A185	L115-L181 HydrophobicContact CB-CD1 4.48Å; L115-L181 HydrophobicContact CD1-CD1 3.97Å; L115-L181 HydrophobicContact CD1-CD2 3.96Å; L132-L181 HydrophobicContact CD2-CD1 3.37Å; V138-L181 HydrophobicContact CG1-CD2 4.1Å; V138-L181 HydrophobicContact CG2-CD2 4.02Å; V138-L181 HydrophobicContact CG2-CG 4.13Å; Y152-L181 HydrophobicContact CE2-CD2 4.26Å; V154-L181 HydrophobicContact CG2-CD2 3.85Å; I177-L181 VanDerWaalsContact O-CB 3.24Å; I177-L181 WeakPolarHBondContact O-CB 3.36Å; I177-L181 PolarHBondContact O-N 3.15Å; F178-L181 PolarHBondContact O-N 3.28Å; L181-K183 VanDerWaalsContact C-N 3.26Å; L181-K183 PolarHBondContact O-N 3.39Å; L181-F184 PolarHBondContact O-N 3.35Å; L181-A185 HydrophobicContact CD1-CB 4.37Å; L181-A185 WeakPolarHBondContact O-CB 3.47Å; L181-A185 PolarHBondContact O-N 3.44Å
182	M	94.1	Very high	86.9	Confident	54 Å²	54	61 Å²	61	27%	0.266	33%	0.332	S	S	.	.	H	α-helix	trans	-60.3	-34.6	176.3	-78.4	-65	-62.7	0	0	112.9	V138 F178 E179 V180 F186 N190	V138-M182 HydrophobicContact CB-CG 4.42Å; V138-M182 HydrophobicContact CB-SD 3.6Å; V138-M182 VanDerWaalsContact CB-SD 3.6Å; V138-M182 HydrophobicContact CG2-SD 3.79Å; F178-M182 HydrophobicContact CD1-CG 4.21Å; F178-M182 HydrophobicContact CE1-CG 3.78Å; F178-M182 HydrophobicContact CZ-CG 3.97Å; F178-M182 HydrophobicContact CZ-SD 4.44Å; F178-M182 WeakPolarHBondContact O-CB 3.37Å; F178-M182 VanDerWaalsContact O-CG 3.32Å; F178-M182 WeakPolarHBondContact O-CG 3.48Å; F178-M182 PolarHBondContact O-N 3.05Å; E179-M182 PolarHBondContact O-N 3.44Å; V180-M182 PolarHBondContact O-N 2.86Å; M182-F186 HydrophobicContact CE-CD2 4.06Å; M182-F186 HydrophobicContact CE-CE2 3.96Å; M182-F186 VanDerWaalsContact O-CD2 3.27Å; M182-F186 WeakPolarHBondContact O-CD2 3.34Å; M182-F186 HydrophobicContact SD-CD2 4.17Å; M182-F186 HydrophobicContact SD-CE2 3.65Å; M182-N190 PolarHBondContact O-ND2 3.17Å
183	K	96.4	Very high	88.9	Confident	80 Å²	80	59.2 Å²	59.2	35%	0.348	31%	0.314	S	S	.	.	H	α-helix	trans	-70.5	-49.8	178.5	-175.6	179.4	177.1	-173.1	0	111.6	E179 V180 L181 F186 N190 L192	E179-K183 WeakPolarHBondContact O-CB 3.22Å; E179-K183 PolarHBondContact O-N 3.29Å; V180-K183 WeakPolarHBondContact O-CB 3.49Å; V180-K183 PolarHBondContact O-N 2.93Å; V180-K183 VanDerWaalsContact O-N 3.12Å; L181-K183 VanDerWaalsContact C-N 3.26Å; L181-K183 PolarHBondContact O-N 3.39Å; K183-F186 CarbonylContact O-C 3.59Å; K183-N190 HydrophobicContact CG-CB 4.43Å; K183-N190 PolarHBondContact O-ND2 2.84Å; K183-L192 HydrophobicContact CD-CD1 4.49Å; K183-L192 HydrophobicContact CG-CD1 3.9Å
184	F	97.4	Very high	91.1	Very high	30 Å²	30	52.3 Å²	52.3	13%	0.132	28%	0.278	C	S	.	.	H	α-helix	trans	-89.9	-18.6	-172	-68.4	-80.1	0	0	0	114.3	Q88 N112 L132 V180 L181 F186 P187 L192	Q88-F184 HydrophobicContact CB-CD2 3.98Å; Q88-F184 HydrophobicContact CB-CE2 3.65Å; Q88-F184 HydrophobicContact CB-CZ 4.12Å; Q88-F184 HydrophobicContact CG-CD1 4.09Å; Q88-F184 HydrophobicContact CG-CD2 3.77Å; Q88-F184 HydrophobicContact CG-CE1 3.82Å; Q88-F184 HydrophobicContact CG-CE2 3.5Å; Q88-F184 HydrophobicContact CG-CG 4.08Å; Q88-F184 HydrophobicContact CG-CZ 3.53Å; N112-F184 HydrophobicContact CB-CD1 4.19Å; N112-F184 HydrophobicContact CB-CE1 4.39Å; L132-F184 HydrophobicContact CD1-CB 3.57Å; V180-F184 HydrophobicContact CG1-CD2 3.77Å; V180-F184 HydrophobicContact CG1-CE2 4.03Å; V180-F184 VanDerWaalsContact O-CD2 3.3Å; V180-F184 WeakPolarHBondContact O-CD2 3.47Å; V180-F184 PolarHBondContact O-N 3.36Å; L181-F184 PolarHBondContact O-N 3.35Å; F184-F186 VanDerWaalsContact C-N 3.31Å; F184-P187 WeakPolarHBondContact O-CD 3.44Å; F184-L192 HydrophobicContact CD1-CD1 4.02Å; F184-L192 HydrophobicContact CE1-CD1 3.96Å
185	A	97.8	Very high	93	Very high	2 Å²	2	45.2 Å²	45.2	2%	0.017	25%	0.247	C	C	.	.	H	α-helix	trans	-72	-26.4	168.5	0	0	0	0	0	113.2	L132 V135 L181 P187	L132-A185 HydrophobicContact CD2-CB 4.44Å; V135-A185 HydrophobicContact CB-CB 3.97Å; V135-A185 HydrophobicContact CG1-CB 4.08Å; V135-A185 HydrophobicContact CG2-CB 4.3Å; L181-A185 HydrophobicContact CD1-CB 4.37Å; L181-A185 WeakPolarHBondContact O-CB 3.47Å; L181-A185 PolarHBondContact O-N 3.44Å; A185-P187 WeakPolarHBondContact O-CD 3.35Å
186	F	98.4	Very high	94.7	Very high	3 Å²	3	38.7 Å²	38.7	1%	0.013	22%	0.219	C	C	.	.			trans	-124.6	59.6	-177.4	-49.4	-62.5	0	0	0	111.8	V135 V138 M182 K183 F184 V188 S189 N190 G469 K471	V135-F186 HydrophobicContact CG1-CE1 4.43Å; V135-F186 HydrophobicContact CG1-CZ 3.86Å; V138-F186 HydrophobicContact CG2-CE2 4.24Å; V138-F186 HydrophobicContact CG2-CZ 4.49Å; M182-F186 HydrophobicContact CE-CD2 4.06Å; M182-F186 HydrophobicContact CE-CE2 3.96Å; M182-F186 VanDerWaalsContact O-CD2 3.27Å; M182-F186 WeakPolarHBondContact O-CD2 3.34Å; M182-F186 HydrophobicContact SD-CD2 4.17Å; M182-F186 HydrophobicContact SD-CE2 3.65Å; K183-F186 CarbonylContact O-C 3.59Å; F184-F186 VanDerWaalsContact C-N 3.31Å; F186-V188 VanDerWaalsContact C-N 3.33Å; F186-V188 PolarHBondContact O-N 3.14Å; F186-S189 PolarHBondContact O-N 3.24Å; F186-N190 PolarHBondContact O-N 3.11Å; F186-N190 PolarHBondContact O-ND2 2.83Å; F186-G469 CarbonylContact C-O 3.42Å; F186-G469 WeakPolarHBondContact CA-O 3.36Å; F186-K471 HydrophobicContact CB-CB 4Å; F186-K471 HydrophobicContact CD1-CB 4.09Å; F186-K471 HydrophobicContact CD2-CB 3.9Å; F186-K471 HydrophobicContact CE2-CB 4.48Å; F186-K471 HydrophobicContact CG-CB 3.7Å
187	P	98.2	Very high	95.6	Very high	15 Å²	15	39.5 Å²	39.5	10%	0.097	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-43.4	-173.8	20.7	-33.8	0	0	0	112.8	F184 A185 S189 N190 G191 L192 Q193 I194	F184-P187 WeakPolarHBondContact O-CD 3.44Å; A185-P187 WeakPolarHBondContact O-CD 3.35Å; P187-S189 PolarHBondContact O-N 3.34Å; P187-N190 CarbonylContact O-C 3.39Å; P187-N190 WeakPolarHBondContact O-CA 3.45Å; P187-N190 PolarHBondContact O-N 2.99Å; P187-G191 PolarHBondContact O-N 2.81Å; P187-G191 VanDerWaalsContact O-N 3.08Å; P187-L192 CarbonylContact C-O 3.42Å; P187-L192 HydrophobicContact CB-CB 3.7Å; P187-L192 PolarHBondContact O-N 3.09Å; P187-Q193 WeakPolarHBondContact CB-O 3.4Å; P187-I194 HydrophobicContact CG-CG1 4.09Å
188	V	97.6	Very high	96.2	Very high	75 Å²	75	42.4 Å²	42.4	46%	0.455	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-60.7	-44.5	-179.9	179.7	0	0	0	0	111.1	F186 N190 G191 I194 H468 G469	F186-V188 VanDerWaalsContact C-N 3.33Å; F186-V188 PolarHBondContact O-N 3.14Å; V188-N190 PolarHBondContact O-N 3.46Å; V188-G191 PolarHBondContact O-N 3.03Å; V188-I194 HydrophobicContact CG2-CD1 3.85Å; V188-I194 HydrophobicContact CG2-CG1 3.94Å; V188-H468 WeakPolarHBondContact CG2-O 3.45Å; V188-G469 WeakPolarHBondContact CB-O 3.48Å; V188-G469 PolarHBondContact N-O 3.05Å; V188-G469 VanDerWaalsContact N-O 3.09Å
189	S	97.9	Very high	96.7	Very high	38 Å²	38	41.5 Å²	41.5	27%	0.266	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-67.8	-15	176.8	-61.7	0	0	0	0	114.4	F186 P187 G469 D470 K471	F186-S189 PolarHBondContact O-N 3.24Å; P187-S189 PolarHBondContact O-N 3.34Å; S189-G469 PolarHBondContact N-O 3.37Å; S189-D470 WeakPolarHBondContact OG-CA 3.45Å; S189-D470 PolarHBondContact OG-OD1 3.34Å; S189-K471 WeakPolarHBondContact OG-CG 3.42Å; S189-K471 PolarHBondContact OG-N 2.79Å
190	N	97.6	Very high	96.9	Very high	75 Å²	75	38.5 Å²	38.5	40%	0.401	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-111.8	12.3	-178.6	-69.2	-76.4	0	0	0	112.6	M182 K183 F186 P187 V188 L192	M182-N190 PolarHBondContact O-ND2 3.17Å; K183-N190 HydrophobicContact CG-CB 4.43Å; K183-N190 PolarHBondContact O-ND2 2.84Å; F186-N190 PolarHBondContact O-N 3.11Å; F186-N190 PolarHBondContact O-ND2 2.83Å; P187-N190 CarbonylContact O-C 3.39Å; P187-N190 WeakPolarHBondContact O-CA 3.45Å; P187-N190 PolarHBondContact O-N 2.99Å; V188-N190 PolarHBondContact O-N 3.46Å; N190-L192 HydrophobicContact CB-CG 4.37Å; N190-L192 PolarHBondContact O-N 3.47Å
191	G	97.4	Very high	97	Very high	74 Å²	74	40.1 Å²	40.1	76%	0.763	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.6	22.2	180	0	0	0	0	0	114.2	P187 V188	P187-G191 PolarHBondContact O-N 2.81Å; P187-G191 VanDerWaalsContact O-N 3.08Å; V188-G191 PolarHBondContact O-N 3.03Å
192	L	97.6	Very high	97.1	Very high	58 Å²	58	45.7 Å²	45.7	30%	0.304	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-98.8	158.7	174.9	-57.2	176.9	0	0	0	110.7	K183 F184 P187 N190	K183-L192 HydrophobicContact CD-CD1 4.49Å; K183-L192 HydrophobicContact CG-CD1 3.9Å; F184-L192 HydrophobicContact CD1-CD1 4.02Å; F184-L192 HydrophobicContact CE1-CD1 3.96Å; P187-L192 CarbonylContact C-O 3.42Å; P187-L192 HydrophobicContact CB-CB 3.7Å; P187-L192 PolarHBondContact O-N 3.09Å; N190-L192 HydrophobicContact CB-CG 4.37Å; N190-L192 PolarHBondContact O-N 3.47Å
193	Q	95.8	Very high	97.2	Very high	102 Å²	102	44 Å²	44	48%	0.477	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-76.6	150.8	170.9	-71.9	-176.5	86.7	0	0	111	P187 F197	P187-Q193 WeakPolarHBondContact CB-O 3.4Å; Q193-F197 HydrophobicContact CB-CB 4.49Å
194	I	97.9	Very high	97.3	Very high	12 Å²	12	45.8 Å²	45.8	6%	0.062	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-71.9	142.8	169.5	-71	175.7	0	0	0	108.8	P187 V188 A196 F197 H468 C517 L523	P187-I194 HydrophobicContact CG-CG1 4.09Å; V188-I194 HydrophobicContact CG2-CD1 3.85Å; V188-I194 HydrophobicContact CG2-CG1 3.94Å; I194-A196 HydrophobicContact CG2-CB 4.19Å; I194-A196 PolarHBondContact O-N 2.88Å; I194-F197 HydrophobicContact CB-CD2 4.11Å; I194-F197 HydrophobicContact CB-CE2 4.3Å; I194-F197 WeakPolarHBondContact O-CD2 3.47Å; I194-F197 PolarHBondContact O-N 3.44Å; I194-H468 HydrophobicContact CD1-CB 4.05Å; I194-C517 HydrophobicContact CG2-CB 3.41Å; I194-C517 VanDerWaalsContact CG2-CB 3.41Å; I194-L523 HydrophobicContact CD1-CD2 4.09Å; I194-L523 HydrophobicContact CG2-CD1 4.41Å; I194-L523 HydrophobicContact CG2-CD2 4.4Å
195	F	98.6	Very high	97.2	Very high	11 Å²	11	47.7 Å²	47.7	5%	0.048	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-56.1	-28.8	-175.1	-172.6	-108	0	0	0	114.7	L82 E85 N112 Y113 F197 E198 Y199 L518	L82-F195 HydrophobicContact CB-CZ 4.45Å; L82-F195 HydrophobicContact CD1-CE1 4.14Å; E85-F195 HydrophobicContact CB-CE2 4.15Å; E85-F195 HydrophobicContact CB-CZ 3.86Å; E85-F195 HydrophobicContact CG-CZ 4.48Å; N112-F195 HydrophobicContact CB-CD2 4.44Å; Y113-F195 HydrophobicContact CD1-CE1 4.4Å; Y113-F195 HydrophobicContact CD2-CB 4.06Å; Y113-F195 AromaticContact CD2-CD1 3.26Å; Y113-F195 HydrophobicContact CD2-CD1 3.26Å; Y113-F195 AromaticContact CD2-CE1 3.88Å; Y113-F195 HydrophobicContact CD2-CE1 3.88Å; Y113-F195 AromaticContact CD2-CG 3.79Å; Y113-F195 HydrophobicContact CD2-CG 3.79Å; Y113-F195 HydrophobicContact CE2-CD1 4.08Å; Y113-F195 AromaticContact CG-CD1 3.56Å; Y113-F195 HydrophobicContact CG-CD1 3.56Å; Y113-F195 AromaticContact CG-CE1 3.74Å; Y113-F195 HydrophobicContact CG-CE1 3.74Å; Y113-F195 HydrophobicContact CG-CG 4.05Å; Y113-F195 HydrophobicContact CG-CZ 4.39Å; F195-F197 PolarHBondContact O-N 3.2Å; F195-E198 HydrophobicContact CD2-CB 4.17Å; F195-E198 HydrophobicContact CE2-CB 4.32Å; F195-E198 CarbonylContact O-C 3.42Å; F195-E198 WeakPolarHBondContact O-CA 3.49Å; F195-E198 PolarHBondContact O-N 3.15Å; F195-Y199 AromaticContact CE1-CD2 3.91Å; F195-Y199 HydrophobicContact CE1-CD2 3.91Å; F195-Y199 HydrophobicContact CE1-CG 4.24Å; F195-Y199 HydrophobicContact CZ-CD2 4.36Å; F195-Y199 PolarHBondContact O-N 3.2Å; F195-L518 HydrophobicContact CD1-CD1 3.7Å; F195-L518 HydrophobicContact CE1-CD1 3.54Å
196	A	98.6	Very high	97.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-52.4	-27.4	173.3	0	0	0	0	0	114.7	I194 C517 L518 L523 T539	I194-A196 HydrophobicContact CG2-CB 4.19Å; I194-A196 PolarHBondContact O-N 2.88Å; A196-C517 WeakPolarHBondContact CB-O 3.36Å; A196-C517 PolarHBondContact N-O 3.28Å; A196-L518 WeakPolarHBondContact CA-O 3.43Å; A196-L523 HydrophobicContact CB-CD1 4.01Å; A196-T539 HydrophobicContact CB-CG2 4.15Å; A196-T539 WeakPolarHBondContact O-CB 3.27Å; A196-T539 WeakPolarHBondContact O-CG2 3.31Å
197	F	98.4	Very high	97.1	Very high	48 Å²	48	51.6 Å²	51.6	21%	0.211	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-83	-14.1	176.1	-65.2	-79.1	0	0	0	113.5	Q193 I194 F195 L523 I535 R538 T539	Q193-F197 HydrophobicContact CB-CB 4.49Å; I194-F197 HydrophobicContact CB-CD2 4.11Å; I194-F197 HydrophobicContact CB-CE2 4.3Å; I194-F197 WeakPolarHBondContact O-CD2 3.47Å; I194-F197 PolarHBondContact O-N 3.44Å; F195-F197 PolarHBondContact O-N 3.2Å; F197-L523 HydrophobicContact CE2-CD1 4.03Å; F197-L523 HydrophobicContact CZ-CD1 4.34Å; F197-I535 HydrophobicContact CE1-CD1 3.87Å; F197-I535 HydrophobicContact CZ-CD1 3.61Å; F197-R538 HydrophobicContact CD1-CB 3.99Å; F197-R538 HydrophobicContact CE1-CB 4.27Å; F197-T539 HydrophobicContact CD1-CG2 3.62Å; F197-T539 HydrophobicContact CE1-CG2 3.74Å; F197-T539 HydrophobicContact CG-CG2 4.11Å; F197-T539 HydrophobicContact CZ-CG2 4.31Å
198	E	97.6	Very high	97.2	Very high	71 Å²	71	52.7 Å²	52.7	33%	0.332	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-27.1	178.3	-63.7	-179.2	-168	0	0	111.5	N84 N112 F195 G200	N84-E198 WeakPolarHBondContact CB-O 3.42Å; N84-E198 PolarHBondContact ND2-O 2.9Å; N112-E198 PolarHBondContact ND2-OE2 3.47Å; F195-E198 HydrophobicContact CD2-CB 4.17Å; F195-E198 HydrophobicContact CE2-CB 4.32Å; F195-E198 CarbonylContact O-C 3.42Å; F195-E198 WeakPolarHBondContact O-CA 3.49Å; F195-E198 PolarHBondContact O-N 3.15Å; E198-G200 PolarHBondContact O-N 2.88Å; E198-G200 VanDerWaalsContact O-N 3.12Å
199	Y	98.1	Very high	97.2	Very high	12 Å²	12	57.1 Å²	57.1	5%	0.047	32%	0.32	C	S	.	.			trans	-57.5	113.2	-175.3	-177.7	-132.9	0	0	0	112.8	L82 F195 Q201 F203 L518 F519 V540	L82-Y199 HydrophobicContact CB-CD2 4.38Å; L82-Y199 HydrophobicContact CB-CE2 4.1Å; L82-Y199 HydrophobicContact CD1-CD2 4.49Å; L82-Y199 HydrophobicContact CD1-CE2 4.09Å; L82-Y199 HydrophobicContact CG-CE2 4.49Å; F195-Y199 AromaticContact CE1-CD2 3.91Å; F195-Y199 HydrophobicContact CE1-CD2 3.91Å; F195-Y199 HydrophobicContact CE1-CG 4.24Å; F195-Y199 HydrophobicContact CZ-CD2 4.36Å; F195-Y199 PolarHBondContact O-N 3.2Å; Y199-Q201 HydrophobicContact CD1-CB 4.38Å; Y199-Q201 HydrophobicContact CD2-CB 4.21Å; Y199-Q201 HydrophobicContact CE1-CB 3.66Å; Y199-Q201 HydrophobicContact CE2-CB 3.45Å; Y199-Q201 VanDerWaalsContact CE2-CB 3.45Å; Y199-Q201 HydrophobicContact CE2-CG 4.49Å; Y199-Q201 WeakPolarHBondContact OH-CB 3.41Å; Y199-Q201 WeakPolarHBondContact OH-CG 3.38Å; Y199-F203 HydrophobicContact CE1-CE2 4.29Å; Y199-L518 HydrophobicContact CD1-CD1 3.84Å; Y199-L518 HydrophobicContact CD1-CG 4.12Å; Y199-L518 HydrophobicContact CD2-CD1 3.66Å; Y199-L518 HydrophobicContact CE1-CD1 3.97Å; Y199-L518 HydrophobicContact CE1-CD2 4.45Å; Y199-L518 HydrophobicContact CE1-CG 4Å; Y199-L518 HydrophobicContact CE2-CD1 3.81Å; Y199-L518 HydrophobicContact CG-CD1 3.67Å; Y199-L518 HydrophobicContact CG-CG 4.44Å; Y199-F519 HydrophobicContact CE1-CD1 4.39Å; Y199-F519 AromaticContact CE1-CE1 3.86Å; Y199-F519 HydrophobicContact CE1-CE1 3.86Å; Y199-F519 HydrophobicContact CE1-CZ 4.44Å; Y199-V540 HydrophobicContact CD1-CB 4.12Å; Y199-V540 HydrophobicContact CD1-CG2 3.93Å; Y199-V540 HydrophobicContact CE1-CB 4.35Å; Y199-V540 HydrophobicContact CE1-CG2 4.31Å
200	G	91.9	Very high	97.2	Very high	35 Å²	35	56.6 Å²	56.6	36%	0.361	32%	0.315	S	S	.	.			trans	-96.9	10.7	-171.2	0	0	0	0	0	115.9	P83 E198	P83-G200 PolarHBondContact O-N 2.93Å; E198-G200 PolarHBondContact O-N 2.88Å; E198-G200 VanDerWaalsContact O-N 3.12Å
201	Q	96.1	Very high	97.3	Very high	46 Å²	46	54.4 Å²	54.4	22%	0.215	30%	0.301	C	S	.	.			trans	-71.1	137.2	-178.2	-176	65.4	51.5	0	0	111.4	P83 Y199 F203 V540	P83-Q201 HydrophobicContact CG-CB 4.22Å; Y199-Q201 HydrophobicContact CD1-CB 4.38Å; Y199-Q201 HydrophobicContact CD2-CB 4.21Å; Y199-Q201 HydrophobicContact CE1-CB 3.66Å; Y199-Q201 HydrophobicContact CE2-CB 3.45Å; Y199-Q201 VanDerWaalsContact CE2-CB 3.45Å; Y199-Q201 HydrophobicContact CE2-CG 4.49Å; Y199-Q201 WeakPolarHBondContact OH-CB 3.41Å; Y199-Q201 WeakPolarHBondContact OH-CG 3.38Å; Q201-F203 HydrophobicContact CB-CE2 4.05Å; Q201-F203 HydrophobicContact CB-CZ 4.41Å; Q201-F203 HydrophobicContact CG-CD2 4.12Å; Q201-F203 HydrophobicContact CG-CE1 4.15Å; Q201-F203 HydrophobicContact CG-CE2 3.47Å; Q201-F203 VanDerWaalsContact CG-CE2 3.47Å; Q201-F203 HydrophobicContact CG-CZ 3.5Å; Q201-F203 VanDerWaalsContact CG-CZ 3.5Å; Q201-V540 WeakPolarHBondContact O-CG2 3.2Å
202	V	95.7	Very high	97.3	Very high	118 Å²	118	54.6 Å²	54.6	72%	0.715	29%	0.285	S	S	*	.			trans	-108.2	139.5	172.9	-176.7	0	0	0	0	109.1
203	F	97.1	Very high	97.3	Very high	19 Å²	19	52.8 Å²	52.8	8%	0.083	28%	0.277	C	S	.	.			trans	-118.2	151.9	177.5	-69	-81.4	0	0	0	110.2	L59 Y199 Q201 E205 F519 V540 Y545	L59-F203 HydrophobicContact CD2-CZ 4.38Å; Y199-F203 HydrophobicContact CE1-CE2 4.29Å; Q201-F203 HydrophobicContact CB-CE2 4.05Å; Q201-F203 HydrophobicContact CB-CZ 4.41Å; Q201-F203 HydrophobicContact CG-CD2 4.12Å; Q201-F203 HydrophobicContact CG-CE1 4.15Å; Q201-F203 HydrophobicContact CG-CE2 3.47Å; Q201-F203 VanDerWaalsContact CG-CE2 3.47Å; Q201-F203 HydrophobicContact CG-CZ 3.5Å; Q201-F203 VanDerWaalsContact CG-CZ 3.5Å; F203-E205 PolarHBondContact O-N 3.14Å; F203-F519 HydrophobicContact CE2-CE1 4.24Å; F203-V540 HydrophobicContact CD2-CG1 3.73Å; F203-V540 HydrophobicContact CE2-CG1 3.83Å; F203-Y545 AromaticContact CE1-CD2 3.78Å; F203-Y545 HydrophobicContact CE1-CD2 3.78Å; F203-Y545 HydrophobicContact CE1-CG 4.38Å; F203-Y545 AromaticContact CZ-CD2 3.89Å; F203-Y545 HydrophobicContact CZ-CD2 3.89Å; F203-Y545 HydrophobicContact CZ-CG 4.28Å
204	P	96.9	Very high	97.5	Very high	117 Å²	117	51.9 Å²	51.9	76%	0.76	27%	0.274	S	S	*	.	S	Bend	trans	-54.3	-32.4	174.3	-28.1	33.7	0	0	0	114.2	S548	P204-S548 WeakPolarHBondContact CD-OG 3.32Å
205	E	95.3	Very high	97.5	Very high	70 Å²	70	54.7 Å²	54.7	33%	0.327	30%	0.295	S	S	.	.	S	Bend	trans	-111.1	144.9	179.6	-64	-165.4	-171.3	0	0	112.8	F203 R445 S544 N547	F203-E205 PolarHBondContact O-N 3.14Å; E205-R445 IonicContact OE1-NH2 2.73Å; E205-R445 PolarHBondContact OE1-NH2 2.94Å; E205-R445 IonicContact OE2-CZ 3.47Å; E205-R445 IonicContact OE2-NH1 3.01Å; E205-R445 PolarHBondContact OE2-NH1 3.01Å; E205-R445 IonicContact OE2-NH2 3.69Å; E205-R445 PolarHBondContact OE2-NH2 3.07Å; E205-S544 VanDerWaalsContact O-CB 3.25Å; E205-S544 WeakPolarHBondContact O-CB 2.96Å; E205-S544 PolarHBondContact O-OG 2.94Å; E205-N547 VanDerWaalsContact OE2-CB 3.25Å; E205-N547 WeakPolarHBondContact OE2-CB 3.25Å
206	N	97.6	Very high	97.5	Very high	86 Å²	86	54.4 Å²	54.4	46%	0.46	29%	0.294	S	S	.	.			trans	-96.2	100.8	170.7	-173.3	-6.4	0	0	0	110.6	W208 K209	N206-W208 PolarHBondContact O-N 3.21Å; N206-W208 VanDerWaalsContact O-N 3.17Å; N206-W208 WeakPolarHBondContact OD1-CB 3.41Å; N206-W208 PolarHBondContact OD1-N 3.11Å; N206-K209 HydrophobicContact CB-CG 4.36Å; N206-K209 WeakPolarHBondContact O-CB 3.3Å; N206-K209 PolarHBondContact O-N 3.16Å
207	G	98.3	Very high	97.5	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.01	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-62	-20.5	179.9	0	0	0	0	0	114.3	K209 V210 S544	G207-K209 PolarHBondContact O-N 2.93Å; G207-K209 VanDerWaalsContact O-N 3.13Å; G207-V210 WeakPolarHBondContact O-CB 3.47Å; G207-V210 VanDerWaalsContact O-CG1 3.27Å; G207-V210 WeakPolarHBondContact O-CG1 3.32Å; G207-V210 PolarHBondContact O-N 3.46Å; G207-S544 PolarHBondContact N-OG 3.27Å
208	W	98.5	Very high	97.5	Very high	39 Å²	39	59.9 Å²	59.9	15%	0.148	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-68.2	-6.7	172.7	-61.9	119.5	0	0	0	113.7	N206 I535 P536 T539	N206-W208 PolarHBondContact O-N 3.21Å; N206-W208 VanDerWaalsContact O-N 3.17Å; N206-W208 WeakPolarHBondContact OD1-CB 3.41Å; N206-W208 PolarHBondContact OD1-N 3.11Å; W208-I535 HydrophobicContact CH2-CG2 3.43Å; W208-I535 VanDerWaalsContact CH2-CG2 3.43Å; W208-I535 HydrophobicContact CZ2-CG2 3.67Å; W208-I535 HydrophobicContact CZ3-CG2 4.29Å; W208-P536 HydrophobicContact CB-CB 4.07Å; W208-P536 VanDerWaalsContact CD1-O 3.26Å; W208-P536 HydrophobicContact CD2-CB 3.91Å; W208-P536 HydrophobicContact CD2-CG 4.24Å; W208-P536 HydrophobicContact CE3-CB 4.38Å; W208-P536 HydrophobicContact CE3-CG 4.22Å; W208-P536 HydrophobicContact CG-CB 3.76Å; W208-T539 WeakPolarHBondContact CZ2-OG1 3.49Å; W208-T539 PolarHBondContact NE1-O 3.01Å
209	K	98.3	Very high	97.6	Very high	167 Å²	167	60.8 Å²	60.8	73%	0.726	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-101.9	3.1	175.7	-60.1	-59.4	-175.2	-177.8	0	113.5	N206 G207 Y211	N206-K209 HydrophobicContact CB-CG 4.36Å; N206-K209 WeakPolarHBondContact O-CB 3.3Å; N206-K209 PolarHBondContact O-N 3.16Å; G207-K209 PolarHBondContact O-N 2.93Å; G207-K209 VanDerWaalsContact O-N 3.13Å; K209-Y211 VanDerWaalsContact C-N 3.27Å; K209-Y211 PolarHBondContact O-N 2.87Å
210	V	98.2	Very high	97.6	Very high	28 Å²	28	61.1 Å²	61.1	17%	0.17	32%	0.32	C	S	.	.	S	Bend	trans	-65.2	-33.1	-180	75	0	0	0	0	112.4	G207 E448 V449 E452 W543	G207-V210 WeakPolarHBondContact O-CB 3.47Å; G207-V210 VanDerWaalsContact O-CG1 3.27Å; G207-V210 WeakPolarHBondContact O-CG1 3.32Å; G207-V210 PolarHBondContact O-N 3.46Å; V210-E448 HydrophobicContact CG1-CB 4.32Å; V210-E448 HydrophobicContact CG2-CB 3.89Å; V210-E448 VanDerWaalsContact CG2-OE2 3.31Å; V210-E448 WeakPolarHBondContact CG2-OE2 3.43Å; V210-V449 HydrophobicContact CG2-CG2 4.28Å; V210-V449 WeakPolarHBondContact O-CG2 3.48Å; V210-E452 HydrophobicContact CG1-CG 3.94Å; V210-W543 HydrophobicContact CG1-CG 4.18Å
211	Y	98.6	Very high	97.9	Very high	29 Å²	29	61.6 Å²	61.6	11%	0.114	32%	0.324	C	S	.	.			trans	-115.9	124.4	-177.7	174.3	-123.4	0	0	0	111	K209 P213 E216 V449 E452 K453	K209-Y211 VanDerWaalsContact C-N 3.27Å; K209-Y211 PolarHBondContact O-N 2.87Å; Y211-P213 HydrophobicContact CE1-CG 3.81Å; Y211-E216 HydrophobicContact CD2-CB 4.47Å; Y211-E216 HydrophobicContact CE2-CB 4.03Å; Y211-E216 HydrophobicContact CE2-CG 4.34Å; Y211-V449 HydrophobicContact CD2-CG1 3.88Å; Y211-V449 HydrophobicContact CE2-CG1 4.42Å; Y211-E452 VanDerWaalsContact CB-CB 3.48Å; Y211-E452 HydrophobicContact CD1-CB 3.69Å; Y211-E452 HydrophobicContact CG-CB 3.68Å; Y211-K453 HydrophobicContact CD2-CB 4.48Å; Y211-K453 HydrophobicContact CE1-CB 4.47Å; Y211-K453 HydrophobicContact CE2-CB 3.83Å; Y211-K453 HydrophobicContact CE2-CD 4.14Å; Y211-K453 HydrophobicContact CE2-CG 4.28Å
212	D	98.4	Very high	98	Very high	77 Å²	77	59.6 Å²	59.6	41%	0.412	32%	0.315	S	S	.	.			trans	-126.5	115.9	167.5	174.8	71.3	0	0	0	108	I214 S215 E216	D212-I214 VanDerWaalsContact C-N 3.27Å; D212-I214 PolarHBondContact O-N 3.38Å; D212-S215 PolarHBondContact O-N 3.27Å; D212-S215 WeakPolarHBondContact OD2-CB 3.47Å; D212-S215 PolarHBondContact OD2-N 2.87Å; D212-S215 PolarHBondContact OD2-OG 3.34Å; D212-E216 PolarHBondContact O-N 2.95Å
213	P	98.1	Very high	98.1	Very high	21 Å²	21	58 Å²	58	14%	0.136	31%	0.307	C	S	.	.	H	α-helix	trans	-55.3	-41	-174.7	-26.1	31.8	0	0	0	113.3	Y211 E216 Y217 T245	Y211-P213 HydrophobicContact CE1-CG 3.81Å; P213-E216 PolarHBondContact O-N 3.45Å; P213-Y217 WeakPolarHBondContact O-CD2 3.49Å; P213-Y217 PolarHBondContact O-N 3.35Å; P213-T245 HydrophobicContact CB-CG2 4.15Å
214	I	98.4	Very high	98.2	Very high	82 Å²	82	59.3 Å²	59.3	42%	0.421	32%	0.315	S	S	.	.	H	α-helix	trans	-68.1	-43.6	-177.9	-56.6	-59.6	0	0	0	110.8	D212 E216 Y217 K218 I229 T245	D212-I214 VanDerWaalsContact C-N 3.27Å; D212-I214 PolarHBondContact O-N 3.38Å; I214-E216 VanDerWaalsContact C-N 3.34Å; I214-E216 PolarHBondContact O-N 2.82Å; I214-Y217 PolarHBondContact O-N 3.11Å; I214-K218 VanDerWaalsContact O-CB 3.26Å; I214-K218 WeakPolarHBondContact O-CB 3.4Å; I214-K218 PolarHBondContact O-N 3.1Å; I214-I229 HydrophobicContact CD1-CD1 3.94Å; I214-T245 HydrophobicContact CD1-CG2 3.9Å
215	S	98.6	Very high	98.2	Very high	72 Å²	72	62.7 Å²	62.7	50%	0.503	32%	0.321	S	S	.	.	H	α-helix	trans	-63.9	-39.5	177.1	-60.2	0	0	0	0	112	D212 K218 R219	D212-S215 PolarHBondContact O-N 3.27Å; D212-S215 WeakPolarHBondContact OD2-CB 3.47Å; D212-S215 PolarHBondContact OD2-N 2.87Å; D212-S215 PolarHBondContact OD2-OG 3.34Å; S215-K218 PolarHBondContact O-N 3.46Å; S215-R219 PolarHBondContact O-N 3.4Å
216	E	98.8	Very high	98.4	Very high	5 Å²	5	61.1 Å²	61.1	2%	0.023	32%	0.318	C	S	.	.	H	α-helix	trans	-67.2	-45.1	177	172.8	51.6	-162.7	0	0	111.9	Y211 D212 P213 I214 K218 R219 Q220 Y440 Y441 V449 K453	Y211-E216 HydrophobicContact CD2-CB 4.47Å; Y211-E216 HydrophobicContact CE2-CB 4.03Å; Y211-E216 HydrophobicContact CE2-CG 4.34Å; D212-E216 PolarHBondContact O-N 2.95Å; P213-E216 PolarHBondContact O-N 3.45Å; I214-E216 VanDerWaalsContact C-N 3.34Å; I214-E216 PolarHBondContact O-N 2.82Å; E216-K218 VanDerWaalsContact C-N 3.32Å; E216-K218 PolarHBondContact O-N 2.79Å; E216-R219 WeakPolarHBondContact O-CB 3.26Å; E216-R219 PolarHBondContact O-N 3.1Å; E216-R219 IonicContact OE1-CZ 3.59Å; E216-R219 IonicContact OE1-NE 3.46Å; E216-R219 IonicContact OE1-NH2 3.25Å; E216-R219 PolarHBondContact OE1-NH2 3.01Å; E216-R219 IonicContact OE2-CZ 2.8Å; E216-R219 IonicContact OE2-NE 3.05Å; E216-R219 PolarHBondContact OE2-NE 3.28Å; E216-R219 IonicContact OE2-NH2 2.77Å; E216-Q220 PolarHBondContact O-N 3.46Å; E216-Q220 PolarHBondContact OE1-NE2 2.67Å; E216-Y440 WeakPolarHBondContact OE2-CE1 3.32Å; E216-Y441 WeakPolarHBondContact OE1-CE1 3.23Å; E216-Y441 VanDerWaalsContact OE1-CZ 3.32Å; E216-Y441 PolarHBondContact OE1-OH 3.2Å; E216-V449 HydrophobicContact CB-CG1 4.5Å; E216-V449 HydrophobicContact CG-CG1 4.16Å; E216-K453 HydrophobicContact CG-CD 3.78Å
217	Y	98.7	Very high	98.4	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-64.5	-38.1	174.5	-72.2	-52.8	0	0	0	111.9	P213 I214 R219 Q220 G221 I222 T245 V247	P213-Y217 WeakPolarHBondContact O-CD2 3.49Å; P213-Y217 PolarHBondContact O-N 3.35Å; I214-Y217 PolarHBondContact O-N 3.11Å; Y217-R219 VanDerWaalsContact C-N 3.32Å; Y217-R219 PolarHBondContact O-N 2.87Å; Y217-Q220 CarbonylContact O-C 3.55Å; Y217-Q220 WeakPolarHBondContact O-CA 3.41Å; Y217-Q220 WeakPolarHBondContact O-CB 3.38Å; Y217-Q220 PolarHBondContact O-N 3.29Å; Y217-G221 PolarHBondContact O-N 2.92Å; Y217-I222 CarbonylContact C-O 3.24Å; Y217-I222 HydrophobicContact CG-CG2 4.48Å; Y217-I222 WeakPolarHBondContact O-CB 3.49Å; Y217-I222 PolarHBondContact O-N 3Å; Y217-T245 HydrophobicContact CD2-CG2 4.14Å; Y217-T245 HydrophobicContact CE2-CG2 3.89Å; Y217-V247 HydrophobicContact CD1-CG2 3.73Å; Y217-V247 HydrophobicContact CD2-CG2 3.75Å; Y217-V247 HydrophobicContact CE1-CB 4.25Å; Y217-V247 HydrophobicContact CE1-CG2 3.66Å; Y217-V247 HydrophobicContact CE2-CG2 3.69Å; Y217-V247 HydrophobicContact CG-CG2 3.79Å
218	K	98.6	Very high	98.4	Very high	162 Å²	162	59.4 Å²	59.4	70%	0.704	30%	0.304	S	S	*	.	H	α-helix	trans	-61.4	-39.4	174.7	-174.4	179.7	-179.9	-178.4	0	112.1	I214 S215 E216 Q220 G221 I222	I214-K218 VanDerWaalsContact O-CB 3.26Å; I214-K218 WeakPolarHBondContact O-CB 3.4Å; I214-K218 PolarHBondContact O-N 3.1Å; S215-K218 PolarHBondContact O-N 3.46Å; E216-K218 VanDerWaalsContact C-N 3.32Å; E216-K218 PolarHBondContact O-N 2.79Å; K218-Q220 PolarHBondContact O-N 2.75Å; K218-G221 PolarHBondContact O-N 3.45Å; K218-I222 WeakPolarHBondContact CA-O 3.41Å; K218-I222 PolarHBondContact N-O 2.78Å
219	R	98.4	Very high	98.4	Very high	90 Å²	90	59.9 Å²	59.9	34%	0.34	31%	0.309	S	S	.	.	H	α-helix	trans	-58.1	-36.1	174	-173.1	-165	66.6	81.8	-1.8	111.5	S215 E216 Y217 G221 D438 Y440 Y441	S215-R219 PolarHBondContact O-N 3.4Å; E216-R219 WeakPolarHBondContact O-CB 3.26Å; E216-R219 PolarHBondContact O-N 3.1Å; E216-R219 IonicContact OE1-CZ 3.59Å; E216-R219 IonicContact OE1-NE 3.46Å; E216-R219 IonicContact OE1-NH2 3.25Å; E216-R219 PolarHBondContact OE1-NH2 3.01Å; E216-R219 IonicContact OE2-CZ 2.8Å; E216-R219 IonicContact OE2-NE 3.05Å; E216-R219 PolarHBondContact OE2-NE 3.28Å; E216-R219 IonicContact OE2-NH2 2.77Å; Y217-R219 VanDerWaalsContact C-N 3.32Å; Y217-R219 PolarHBondContact O-N 2.87Å; R219-G221 VanDerWaalsContact C-N 3.27Å; R219-G221 PolarHBondContact O-N 3.03Å; R219-D438 IonicContact CZ-OD2 3.85Å; R219-D438 VanDerWaalsContact CZ-OD2 3.3Å; R219-D438 IonicContact NH1-OD1 2.71Å; R219-D438 PolarHBondContact NH1-OD1 3.07Å; R219-D438 IonicContact NH1-OD2 3.4Å; R219-D438 PolarHBondContact NH1-OD2 2.99Å; R219-D438 IonicContact NH2-OD2 3.12Å; R219-D438 PolarHBondContact NH2-OD2 3.48Å; R219-Y440 VanDerWaalsContact NE-CD1 3.27Å; R219-Y441 PolarHBondContact NH2-OH 3.2Å
220	Q	98.4	Very high	98.4	Very high	20 Å²	20	52 Å²	52	9%	0.093	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	2.9	176.4	-58.8	-178.2	30.6	0	0	113.9	E216 Y217 K218 I222 I275 Y441	E216-Q220 PolarHBondContact O-N 3.46Å; E216-Q220 PolarHBondContact OE1-NE2 2.67Å; Y217-Q220 CarbonylContact O-C 3.55Å; Y217-Q220 WeakPolarHBondContact O-CA 3.41Å; Y217-Q220 WeakPolarHBondContact O-CB 3.38Å; Y217-Q220 PolarHBondContact O-N 3.29Å; K218-Q220 PolarHBondContact O-N 2.75Å; Q220-I222 HydrophobicContact CB-CG1 4.42Å; Q220-I275 HydrophobicContact CB-CG2 3.89Å; Q220-I275 VanDerWaalsContact O-CG2 3.32Å; Q220-I275 WeakPolarHBondContact O-CG2 3.5Å; Q220-Y441 PolarHBondContact NE2-OH 2.73Å; Q220-Y441 VanDerWaalsContact NE2-OH 3.14Å
221	G	98.4	Very high	98.3	Very high	44 Å²	44	58 Å²	58	45%	0.454	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	27.8	-178.4	0	0	0	0	0	114.4	Y217 K218 R219 N224	Y217-G221 PolarHBondContact O-N 2.92Å; K218-G221 PolarHBondContact O-N 3.45Å; R219-G221 VanDerWaalsContact C-N 3.27Å; R219-G221 PolarHBondContact O-N 3.03Å; G221-N224 WeakPolarHBondContact O-CB 3.43Å
222	I	98.6	Very high	98.3	Very high	4 Å²	4	57.9 Å²	57.9	2%	0.021	30%	0.301	C	S	.	.			trans	-115.1	140.5	-178.5	-59	-68.1	0	0	0	110.2	Y217 K218 Q220 W227 I229 V247 L272 I275	Y217-I222 CarbonylContact C-O 3.24Å; Y217-I222 HydrophobicContact CG-CG2 4.48Å; Y217-I222 WeakPolarHBondContact O-CB 3.49Å; Y217-I222 PolarHBondContact O-N 3Å; K218-I222 WeakPolarHBondContact CA-O 3.41Å; K218-I222 PolarHBondContact N-O 2.78Å; Q220-I222 HydrophobicContact CB-CG1 4.42Å; I222-W227 HydrophobicContact CD1-CB 3.69Å; I222-W227 HydrophobicContact CD1-CG 4.11Å; I222-I229 HydrophobicContact CG2-CG1 4.43Å; I222-V247 HydrophobicContact CG2-CB 4.47Å; I222-V247 HydrophobicContact CG2-CG1 3.71Å; I222-V247 HydrophobicContact CG2-CG2 3.85Å; I222-L272 HydrophobicContact CD1-CD2 3.92Å; I222-L272 HydrophobicContact CG1-CD2 3.88Å; I222-I275 HydrophobicContact CD1-CD1 4.16Å; I222-I275 HydrophobicContact CD1-CG2 4.05Å; I222-I275 HydrophobicContact CG1-CG2 3.93Å
223	P	98.4	Very high	98.3	Very high	84 Å²	84	54.2 Å²	54.2	55%	0.545	28%	0.282	S	S	.	.	S	Bend	cis	-72.1	158.9	-0.5	32.8	-36.3	0	0	0	112.9	W227	P223-W227 WeakPolarHBondContact CA-O 3.45Å; P223-W227 WeakPolarHBondContact CB-O 3.47Å
224	N	98.3	Very high	98.3	Very high	47 Å²	47	56.2 Å²	56.2	25%	0.251	29%	0.291	S	S	.	.			trans	-142.2	-167.6	175.7	67.3	17.3	0	0	0	110.9	G221 S226 W227 Q280	G221-N224 WeakPolarHBondContact O-CB 3.43Å; N224-S226 PolarHBondContact O-N 3.19Å; N224-S226 PolarHBondContact OD1-N 3.45Å; N224-W227 PolarHBondContact N-O 2.91Å; N224-W227 VanDerWaalsContact O-O 3.14Å; N224-W227 PolarHBondContact OD1-N 3.04Å; N224-Q280 PolarHBondContact ND2-OE1 3.03Å
225	E	97.5	Very high	98.3	Very high	188 Å²	188	59.1 Å²	59.1	88%	0.879	30%	0.303	S	S	*	.	S	Bend	trans	-65.9	-17.8	-178.7	-63.3	-175	174.8	0	0	114	V250	E225-V250 VanDerWaalsContact O-CG1 3.28Å; E225-V250 WeakPolarHBondContact O-CG1 3.38Å
226	S	98.4	Very high	98.2	Very high	38 Å²	38	56.7 Å²	56.7	27%	0.266	28%	0.283	S	S	.	.	S	Bend	trans	-110.2	-23.4	-176.7	-50.3	0	0	0	0	113.2	N224 P249 V250	N224-S226 PolarHBondContact O-N 3.19Å; N224-S226 PolarHBondContact OD1-N 3.45Å; S226-P249 WeakPolarHBondContact O-CA 3.2Å; S226-V250 PolarHBondContact O-N 2.87Å
227	W	98.8	Very high	98.2	Very high	1 Å²	1	64.2 Å²	64.2	0%	0.004	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	132.9	-173	-65.6	92	0	0	0	111.9	I222 P223 N224 V247 V248 P249 L272 T282 T284 I308 A311	I222-W227 HydrophobicContact CD1-CB 3.69Å; I222-W227 HydrophobicContact CD1-CG 4.11Å; P223-W227 WeakPolarHBondContact CA-O 3.45Å; P223-W227 WeakPolarHBondContact CB-O 3.47Å; N224-W227 PolarHBondContact N-O 2.91Å; N224-W227 VanDerWaalsContact O-O 3.14Å; N224-W227 PolarHBondContact OD1-N 3.04Å; W227-V247 HydrophobicContact CB-CG1 4.01Å; W227-V247 HydrophobicContact CE3-CG1 3.98Å; W227-V248 WeakPolarHBondContact CA-O 3.29Å; W227-V248 VanDerWaalsContact CE3-C 3.46Å; W227-P249 HydrophobicContact CE3-CG 4.45Å; W227-P249 HydrophobicContact CH2-CG 4.19Å; W227-P249 HydrophobicContact CZ3-CG 3.96Å; W227-L272 HydrophobicContact CD2-CD1 4.41Å; W227-L272 HydrophobicContact CD2-CD2 4.39Å; W227-L272 HydrophobicContact CE3-CB 4.12Å; W227-L272 HydrophobicContact CE3-CD1 4.4Å; W227-L272 HydrophobicContact CE3-CD2 4.46Å; W227-L272 HydrophobicContact CH2-CD1 4.24Å; W227-L272 HydrophobicContact CZ2-CD1 4.27Å; W227-L272 HydrophobicContact CZ3-CB 4.09Å; W227-L272 HydrophobicContact CZ3-CD1 4.3Å; W227-T282 HydrophobicContact CH2-CG2 4.44Å; W227-T282 HydrophobicContact CZ2-CG2 3.52Å; W227-T284 HydrophobicContact CH2-CG2 3.74Å; W227-T284 HydrophobicContact CZ3-CG2 4.33Å; W227-I308 HydrophobicContact CH2-CB 4.38Å; W227-I308 HydrophobicContact CH2-CG1 4.01Å; W227-I308 HydrophobicContact CH2-CG2 4.03Å; W227-I308 HydrophobicContact CZ2-CG2 4.3Å; W227-A311 HydrophobicContact CZ2-CB 4.05Å
228	R	98.7	Very high	98.2	Very high	49 Å²	49	65.2 Å²	65.2	19%	0.185	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	151.3	178.1	69.8	-179.9	-175.9	86.4	5	111.6	T230 V247 V248 V250 I252 D254	R228-T230 VanDerWaalsContact NH1-CB 3.33Å; R228-V247 WeakPolarHBondContact O-CA 3.5Å; R228-V248 HydrophobicContact CG-CG2 3.84Å; R228-V248 PolarHBondContact N-O 2.98Å; R228-V248 PolarHBondContact O-N 3.41Å; R228-V250 HydrophobicContact CB-CG2 4.48Å; R228-I252 PolarHBondContact NE-O 3.42Å; R228-I252 PolarHBondContact NH2-O 2.91Å; R228-D254 IonicContact CZ-OD1 3.72Å; R228-D254 IonicContact NH1-OD1 2.88Å; R228-D254 PolarHBondContact NH1-OD1 3.08Å; R228-D254 IonicContact NH2-OD1 2.78Å; R228-D254 PolarHBondContact NH2-OD1 2.85Å
229	I	98.7	Very high	98.2	Very high	49 Å²	49	57.7 Å²	57.7	25%	0.251	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	124.2	166	-61.9	168.5	0	0	0	107.7	I214 I222 T245 L246 V247	I214-I229 HydrophobicContact CD1-CD1 3.94Å; I222-I229 HydrophobicContact CG2-CG1 4.43Å; I229-T245 HydrophobicContact CG2-CG2 3.71Å; I229-L246 WeakPolarHBondContact CA-O 3.48Å; I229-V247 HydrophobicContact CG1-CG2 3.79Å
230	T	98.3	Very high	98.2	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.006	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	150.7	173.1	179.8	0	0	0	0	111	R228 V232 L246 V248 D254 L257	R228-T230 VanDerWaalsContact NH1-CB 3.33Å; T230-V232 HydrophobicContact CG2-CG1 3.75Å; T230-V232 WeakPolarHBondContact OG1-CB 3.45Å; T230-V232 WeakPolarHBondContact OG1-CG1 3.41Å; T230-V232 PolarHBondContact OG1-N 2.98Å; T230-V232 VanDerWaalsContact OG1-N 3.13Å; T230-L246 HydrophobicContact CG2-CB 3.76Å; T230-L246 WeakPolarHBondContact CG2-O 3.46Å; T230-L246 PolarHBondContact N-O 2.94Å; T230-V248 HydrophobicContact CG2-CG1 4.01Å; T230-V248 HydrophobicContact CG2-CG2 4.07Å; T230-D254 WeakPolarHBondContact CB-OD1 3.49Å; T230-D254 VanDerWaalsContact OG1-CG 3.28Å; T230-D254 PolarHBondContact OG1-OD1 2.98Å; T230-D254 PolarHBondContact OG1-OD2 3.42Å; T230-L257 HydrophobicContact CG2-CD1 4.04Å
231	K	95.9	Very high	98.2	Very high	155 Å²	155	57.3 Å²	57.3	67%	0.674	30%	0.297	S	S	*	.			trans	-102.8	3.9	174.4	-67.4	-171.7	177	-173.2	0	113.3	N233 D234	K231-N233 PolarHBondContact O-N 2.83Å; K231-D234 WeakPolarHBondContact CA-OD1 3.39Å; K231-D234 WeakPolarHBondContact CB-OD2 3.34Å; K231-D234 WeakPolarHBondContact CG-OD2 3.45Å; K231-D234 WeakPolarHBondContact O-CB 3.5Å; K231-D234 PolarHBondContact O-N 3.1Å
232	V	97.9	Very high	98.2	Very high	26 Å²	26	55.2 Å²	55.2	16%	0.158	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-19.6	-176.3	72.2	0	0	0	0	113.2	T230 L238 D254 L257	T230-V232 HydrophobicContact CG2-CG1 3.75Å; T230-V232 WeakPolarHBondContact OG1-CB 3.45Å; T230-V232 WeakPolarHBondContact OG1-CG1 3.41Å; T230-V232 PolarHBondContact OG1-N 2.98Å; T230-V232 VanDerWaalsContact OG1-N 3.13Å; V232-L238 HydrophobicContact CG1-CB 4.42Å; V232-L238 HydrophobicContact CG1-CD2 3.58Å; V232-L238 HydrophobicContact CG2-CB 4.48Å; V232-L238 HydrophobicContact CG2-CD2 4.5Å; V232-D254 HydrophobicContact CB-CB 4.18Å; V232-D254 HydrophobicContact CG2-CB 4.07Å; V232-L257 HydrophobicContact CG1-CD1 3.89Å
233	N	98.6	Very high	98.2	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	13.3	178.9	-151.5	47.3	0	0	0	113.9	K231 H235 F236 E237 L238 C239 P243 S244 L246	K231-N233 PolarHBondContact O-N 2.83Å; N233-H235 PolarHBondContact O-N 3.18Å; N233-F236 PolarHBondContact O-N 2.9Å; N233-F236 VanDerWaalsContact OD1-CA 3.29Å; N233-F236 WeakPolarHBondContact OD1-CA 3.44Å; N233-E237 PolarHBondContact OD1-N 2.85Å; N233-L238 HydrophobicContact CB-CB 4.28Å; N233-L238 WeakPolarHBondContact OD1-CB 3.36Å; N233-L238 PolarHBondContact OD1-N 2.86Å; N233-L238 VanDerWaalsContact OD1-N 3.14Å; N233-C239 PolarHBondContact ND2-O 3.28Å; N233-C239 PolarHBondContact OD1-N 3.39Å; N233-C239 PolarHBondContact OD1-O 3.33Å; N233-P243 PolarHBondContact ND2-O 3.2Å; N233-S244 CarbonylContact C-O 3.36Å; N233-S244 WeakPolarHBondContact O-CA 3.37Å; N233-L246 HydrophobicContact CB-CD1 3.66Å; N233-L246 HydrophobicContact CB-CG 4.17Å
234	D	97.5	Very high	98.2	Very high	64 Å²	64	52.3 Å²	52.3	34%	0.342	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-27.5	179.3	-80.3	5.4	0	0	0	112.5	K231	K231-D234 WeakPolarHBondContact CA-OD1 3.39Å; K231-D234 WeakPolarHBondContact CB-OD2 3.34Å; K231-D234 WeakPolarHBondContact CG-OD2 3.45Å; K231-D234 WeakPolarHBondContact O-CB 3.5Å; K231-D234 PolarHBondContact O-N 3.1Å
235	H	97.9	Very high	98.2	Very high	142 Å²	142	51 Å²	51	66%	0.657	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.7	16.1	177	-58.8	-34.2	0	0	0	113.5	N233 E237	N233-H235 PolarHBondContact O-N 3.18Å; H235-E237 HydrophobicContact CB-CG 4.12Å; H235-E237 PolarHBondContact O-N 2.92Å
236	F	98.4	Very high	98.2	Very high	21 Å²	21	42 Å²	42	9%	0.092	21%	0.209	C	C	.	.	S	Bend	trans	62	21.4	176.5	-55.9	-80.1	0	0	0	114.6	N233 C239 D240 Y242 E527 Q528 L531	N233-F236 PolarHBondContact O-N 2.9Å; N233-F236 VanDerWaalsContact OD1-CA 3.29Å; N233-F236 WeakPolarHBondContact OD1-CA 3.44Å; F236-C239 CarbonylContact O-C 3.42Å; F236-D240 PolarHBondContact O-N 2.96Å; F236-Y242 WeakPolarHBondContact CD1-O 3.25Å; F236-Y242 WeakPolarHBondContact CE1-O 3.37Å; F236-E527 HydrophobicContact CE1-CB 4.11Å; F236-E527 HydrophobicContact CE1-CG 4.23Å; F236-E527 WeakPolarHBondContact CE1-OE2 3.45Å; F236-E527 HydrophobicContact CZ-CB 4.39Å; F236-E527 HydrophobicContact CZ-CG 4.08Å; F236-E527 WeakPolarHBondContact CZ-OE2 3.42Å; F236-Q528 HydrophobicContact CB-CB 4.35Å; F236-Q528 HydrophobicContact CB-CG 4.09Å; F236-Q528 HydrophobicContact CD1-CB 3.81Å; F236-Q528 HydrophobicContact CD1-CG 4.38Å; F236-Q528 HydrophobicContact CD2-CB 3.92Å; F236-Q528 HydrophobicContact CD2-CG 3.68Å; F236-Q528 HydrophobicContact CE1-CB 4.04Å; F236-Q528 HydrophobicContact CE2-CB 4.15Å; F236-Q528 HydrophobicContact CE2-CG 4.2Å; F236-Q528 HydrophobicContact CG-CB 3.75Å; F236-Q528 HydrophobicContact CG-CG 3.79Å; F236-Q528 HydrophobicContact CZ-CB 4.2Å; F236-L531 HydrophobicContact CE2-CD1 3.58Å; F236-L531 HydrophobicContact CZ-CD1 3.52Å
237	E	97.8	Very high	98.3	Very high	163 Å²	163	40.2 Å²	40.2	76%	0.762	20%	0.197	S	C	*	.	S	Bend	trans	-78.3	-32.4	-176.5	-64.4	-179.6	177.7	0	0	112.9	N233 H235	N233-E237 PolarHBondContact OD1-N 2.85Å; H235-E237 HydrophobicContact CB-CG 4.12Å; H235-E237 PolarHBondContact O-N 2.92Å
238	L	98.2	Very high	98.3	Very high	21 Å²	21	40.1 Å²	40.1	11%	0.11	20%	0.197	C	C	.	.	S	Bend	trans	-73.2	-45.4	176	-174.9	72.8	0	0	0	110.6	V232 N233 L246 L257 K258 A261 I269	V232-L238 HydrophobicContact CG1-CB 4.42Å; V232-L238 HydrophobicContact CG1-CD2 3.58Å; V232-L238 HydrophobicContact CG2-CB 4.48Å; V232-L238 HydrophobicContact CG2-CD2 4.5Å; N233-L238 HydrophobicContact CB-CB 4.28Å; N233-L238 WeakPolarHBondContact OD1-CB 3.36Å; N233-L238 PolarHBondContact OD1-N 2.86Å; N233-L238 VanDerWaalsContact OD1-N 3.14Å; L238-L246 HydrophobicContact CD2-CD1 4.23Å; L238-L257 HydrophobicContact CD2-CB 4.34Å; L238-K258 HydrophobicContact CD1-CB 4.44Å; L238-K258 HydrophobicContact CD1-CG 4.03Å; L238-A261 HydrophobicContact CD1-CB 3.54Å; L238-A261 HydrophobicContact CG-CB 4.09Å; L238-I269 HydrophobicContact CD2-CD1 3.84Å; L238-I269 HydrophobicContact CD2-CG1 4.37Å
239	C	98.8	Very high	98.3	Very high	4 Å²	4	37.8 Å²	37.8	3%	0.027	19%	0.188	C	C	.	.			trans	-155.4	114	178.6	-177.7	0	0	0	0	111.3	N233 F236 T241 Y242 K266 G267 R268	N233-C239 PolarHBondContact ND2-O 3.28Å; N233-C239 PolarHBondContact OD1-N 3.39Å; N233-C239 PolarHBondContact OD1-O 3.33Å; F236-C239 CarbonylContact O-C 3.42Å; C239-T241 PolarHBondContact O-N 3.47Å; C239-T241 PolarHBondContact SG-OG1 2.86Å; C239-Y242 HydrophobicContact CB-CD2 4.36Å; C239-Y242 HydrophobicContact CB-CG 4.2Å; C239-Y242 PolarHBondContact O-N 2.88Å; C239-K266 PolarHBondContact SG-O 3.06Å; C239-G267 WeakPolarHBondContact CB-O 3.41Å; C239-R268 WeakPolarHBondContact SG-CG 3.19Å
240	D	98.6	Very high	98.3	Very high	83 Å²	83	38.9 Å²	38.9	44%	0.444	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-10.5	-177	67.1	-10.8	0	0	0	115.4	F236 S526	F236-D240 PolarHBondContact O-N 2.96Å; D240-S526 PolarHBondContact O-OG 3.1Å
241	T	98.7	Very high	98.2	Very high	19 Å²	19	43.2 Å²	43.2	12%	0.117	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	3.5	177.8	56.2	0	0	0	0	113.4	C239 R268 W423 F458 G459	C239-T241 PolarHBondContact O-N 3.47Å; C239-T241 PolarHBondContact SG-OG1 2.86Å; T241-R268 VanDerWaalsContact C-NH1 3.34Å; T241-R268 VanDerWaalsContact CB-NH1 3.28Å; T241-R268 PolarHBondContact O-NH1 3.19Å; T241-R268 PolarHBondContact OG1-NH1 3.42Å; T241-W423 HydrophobicContact CG2-CZ3 4.18Å; T241-F458 CarbonylContact O-C 3.02Å; T241-G459 WeakPolarHBondContact O-CA 3.48Å
242	Y	98.8	Very high	98.3	Very high	1 Å²	1	35.9 Å²	35.9	0%	0.004	19%	0.188	C	C	.	.	S	Bend	trans	-99.8	164	171.9	-97.1	16	0	0	0	111.3	F236 C239 L246 R268 I269 V271 R285 S457 F458	F236-Y242 WeakPolarHBondContact CD1-O 3.25Å; F236-Y242 WeakPolarHBondContact CE1-O 3.37Å; C239-Y242 HydrophobicContact CB-CD2 4.36Å; C239-Y242 HydrophobicContact CB-CG 4.2Å; C239-Y242 PolarHBondContact O-N 2.88Å; Y242-L246 HydrophobicContact CD2-CD1 4.05Å; Y242-L246 HydrophobicContact CD2-CD2 3.6Å; Y242-L246 HydrophobicContact CE2-CD2 4.36Å; Y242-L246 HydrophobicContact CG-CD2 4.2Å; Y242-R268 HydrophobicContact CD1-CB 4.36Å; Y242-R268 HydrophobicContact CD1-CG 4Å; Y242-R268 HydrophobicContact CE1-CB 3.69Å; Y242-R268 HydrophobicContact CE1-CG 3.76Å; Y242-R268 HydrophobicContact CE2-CB 4.45Å; Y242-I269 HydrophobicContact CE2-CG1 4.36Å; Y242-I269 VanDerWaalsContact CE2-O 3.25Å; Y242-I269 WeakPolarHBondContact CE2-O 3.42Å; Y242-I269 PolarHBondContact OH-O 3.43Å; Y242-V271 HydrophobicContact CD2-CG2 4.4Å; Y242-V271 HydrophobicContact CE2-CB 4.46Å; Y242-V271 HydrophobicContact CE2-CG1 3.91Å; Y242-V271 HydrophobicContact CE2-CG2 3.65Å; Y242-R285 PolarHBondContact OH-O 3.36Å; Y242-R285 VanDerWaalsContact OH-O 3.06Å; Y242-S457 CarbonylContact C-O 3.5Å; Y242-F458 AromaticContact CD1-CD1 3.91Å; Y242-F458 HydrophobicContact CD1-CD1 3.91Å; Y242-F458 HydrophobicContact CD1-CE1 4.23Å; Y242-F458 AromaticContact CE1-CD1 3.77Å; Y242-F458 HydrophobicContact CE1-CD1 3.77Å; Y242-F458 HydrophobicContact CE1-CE1 4Å; Y242-F458 HydrophobicContact CE2-CE1 4.38Å
243	P	98.7	Very high	98.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.199	C	C	.	.			trans	-66.4	158.3	169.5	29.1	-33.8	0	0	0	110.6	N233 T245 L246 S457 F458 E527	N233-P243 PolarHBondContact ND2-O 3.2Å; P243-T245 VanDerWaalsContact C-N 3.33Å; P243-L246 HydrophobicContact CG-CD2 3.8Å; P243-S457 WeakPolarHBondContact CD-O 3.37Å; P243-F458 HydrophobicContact CG-CD2 4.46Å; P243-F458 HydrophobicContact CG-CE1 4.29Å; P243-F458 HydrophobicContact CG-CE2 4.23Å; P243-F458 HydrophobicContact CG-CZ 4.14Å; P243-E527 WeakPolarHBondContact CA-OE2 3.36Å
244	S	98.1	Very high	98.3	Very high	26 Å²	26	40.1 Å²	40.1	18%	0.182	21%	0.213	C	C	.	.	S	Bend	trans	-59.9	-41.5	172.1	47.1	0	0	0	0	112.6	N233 E527	N233-S244 CarbonylContact C-O 3.36Å; N233-S244 WeakPolarHBondContact O-CA 3.37Å; S244-E527 WeakPolarHBondContact CB-OE2 3.27Å; S244-E527 PolarHBondContact N-OE2 3.09Å; S244-E527 PolarHBondContact OG-OE2 3.07Å
245	T	97.9	Very high	98.3	Very high	19 Å²	19	42.7 Å²	42.7	12%	0.117	22%	0.223	C	C	.	.			trans	-90.9	116.2	178.5	-56.2	0	0	0	0	111.2	P213 I214 Y217 I229 P243	P213-T245 HydrophobicContact CB-CG2 4.15Å; I214-T245 HydrophobicContact CD1-CG2 3.9Å; Y217-T245 HydrophobicContact CD2-CG2 4.14Å; Y217-T245 HydrophobicContact CE2-CG2 3.89Å; I229-T245 HydrophobicContact CG2-CG2 3.71Å; P243-T245 VanDerWaalsContact C-N 3.33Å
246	L	98.8	Very high	98.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	145.2	176.7	-57.4	176.6	0	0	0	111.3	I229 T230 N233 L238 Y242 P243 V271	I229-L246 WeakPolarHBondContact CA-O 3.48Å; T230-L246 HydrophobicContact CG2-CB 3.76Å; T230-L246 WeakPolarHBondContact CG2-O 3.46Å; T230-L246 PolarHBondContact N-O 2.94Å; N233-L246 HydrophobicContact CB-CD1 3.66Å; N233-L246 HydrophobicContact CB-CG 4.17Å; L238-L246 HydrophobicContact CD2-CD1 4.23Å; Y242-L246 HydrophobicContact CD2-CD1 4.05Å; Y242-L246 HydrophobicContact CD2-CD2 3.6Å; Y242-L246 HydrophobicContact CE2-CD2 4.36Å; Y242-L246 HydrophobicContact CG-CD2 4.2Å; P243-L246 HydrophobicContact CG-CD2 3.8Å; L246-V271 HydrophobicContact CB-CG1 4.23Å; L246-V271 HydrophobicContact CD1-CG1 4.42Å; L246-V271 HydrophobicContact CD2-CG1 4.19Å; L246-V271 HydrophobicContact CD2-CG2 4.39Å
247	V	98.9	Very high	98.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	127.4	175.2	174.7	0	0	0	0	109.8	Y217 I222 W227 R228 I229 L272	Y217-V247 HydrophobicContact CD1-CG2 3.73Å; Y217-V247 HydrophobicContact CD2-CG2 3.75Å; Y217-V247 HydrophobicContact CE1-CB 4.25Å; Y217-V247 HydrophobicContact CE1-CG2 3.66Å; Y217-V247 HydrophobicContact CE2-CG2 3.69Å; Y217-V247 HydrophobicContact CG-CG2 3.79Å; I222-V247 HydrophobicContact CG2-CB 4.47Å; I222-V247 HydrophobicContact CG2-CG1 3.71Å; I222-V247 HydrophobicContact CG2-CG2 3.85Å; W227-V247 HydrophobicContact CB-CG1 4.01Å; W227-V247 HydrophobicContact CE3-CG1 3.98Å; R228-V247 WeakPolarHBondContact O-CA 3.5Å; I229-V247 HydrophobicContact CG1-CG2 3.79Å; V247-L272 HydrophobicContact CB-CB 3.82Å; V247-L272 HydrophobicContact CB-CD2 4.34Å; V247-L272 HydrophobicContact CG1-CB 3.67Å; V247-L272 HydrophobicContact CG1-CD2 3.58Å; V247-L272 HydrophobicContact CG1-CG 4.27Å; V247-L272 PolarHBondContact O-N 2.94Å
248	V	98.9	Very high	98.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	161.8	-170.5	-58.6	0	0	0	0	110.4	W227 R228 T230 L257 V271 Y304	W227-V248 WeakPolarHBondContact CA-O 3.29Å; W227-V248 VanDerWaalsContact CE3-C 3.46Å; R228-V248 HydrophobicContact CG-CG2 3.84Å; R228-V248 PolarHBondContact N-O 2.98Å; R228-V248 PolarHBondContact O-N 3.41Å; T230-V248 HydrophobicContact CG2-CG1 4.01Å; T230-V248 HydrophobicContact CG2-CG2 4.07Å; V248-L257 HydrophobicContact CB-CD2 4.32Å; V248-L257 HydrophobicContact CG1-CD1 4.18Å; V248-L257 HydrophobicContact CG1-CD2 4.11Å; V248-L257 HydrophobicContact CG2-CD1 4.22Å; V248-V271 HydrophobicContact CG1-CG1 4.28Å; V248-Y304 WeakPolarHBondContact CB-OH 3.3Å; V248-Y304 VanDerWaalsContact CG1-OH 3.27Å; V248-Y304 WeakPolarHBondContact CG1-OH 3.44Å
249	P	98.8	Very high	98.4	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	140.3	176.2	-24	34.3	0	0	0	112.3	S226 W227 N251 I252 Y304 A307 I308	S226-P249 WeakPolarHBondContact O-CA 3.2Å; W227-P249 HydrophobicContact CE3-CG 4.45Å; W227-P249 HydrophobicContact CH2-CG 4.19Å; W227-P249 HydrophobicContact CZ3-CG 3.96Å; P249-N251 PolarHBondContact O-N 3.38Å; P249-I252 HydrophobicContact CB-CG1 4.08Å; P249-I252 HydrophobicContact CG-CG1 4.42Å; P249-I252 PolarHBondContact O-N 3.41Å; P249-Y304 WeakPolarHBondContact CD-OH 3.38Å; P249-Y304 HydrophobicContact CG-CE2 4.44Å; P249-A307 HydrophobicContact CB-CB 3.99Å; P249-A307 HydrophobicContact CG-CB 4.2Å; P249-I308 HydrophobicContact CG-CG1 3.84Å
250	V	98.3	Very high	98.4	Very high	72 Å²	72	39.9 Å²	39.9	44%	0.436	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-33.9	-173	71.9	0	0	0	0	113.1	E225 S226 R228 I252	E225-V250 VanDerWaalsContact O-CG1 3.28Å; E225-V250 WeakPolarHBondContact O-CG1 3.38Å; S226-V250 PolarHBondContact O-N 2.87Å; R228-V250 HydrophobicContact CB-CG2 4.48Å; V250-I252 VanDerWaalsContact C-N 3.35Å
251	N	97.2	Very high	98.4	Very high	92 Å²	92	36.4 Å²	36.4	49%	0.492	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-0.9	-173	64	-11.3	0	0	0	113.7	P249 A307	P249-N251 PolarHBondContact O-N 3.38Å; N251-A307 WeakPolarHBondContact OD1-CB 3.34Å
252	I	98.5	Very high	98.4	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	21%	0.211	C	C	.	.	S	Bend	trans	-98.4	117.5	175.4	-57	-60.2	0	0	0	109.1	R228 P249 V250 E256 L257 K303 Y304 A307	R228-I252 PolarHBondContact NE-O 3.42Å; R228-I252 PolarHBondContact NH2-O 2.91Å; P249-I252 HydrophobicContact CB-CG1 4.08Å; P249-I252 HydrophobicContact CG-CG1 4.42Å; P249-I252 PolarHBondContact O-N 3.41Å; V250-I252 VanDerWaalsContact C-N 3.35Å; I252-E256 HydrophobicContact CG2-CB 3.9Å; I252-L257 HydrophobicContact CG2-CD2 3.63Å; I252-L257 HydrophobicContact CG2-CG 4.25Å; I252-K303 HydrophobicContact CD1-CG 4.45Å; I252-Y304 HydrophobicContact CB-CD2 4.16Å; I252-Y304 HydrophobicContact CB-CE2 4.12Å; I252-Y304 HydrophobicContact CD1-CD2 4.3Å; I252-Y304 HydrophobicContact CG1-CD2 3.74Å; I252-Y304 HydrophobicContact CG1-CE2 4.01Å; I252-Y304 HydrophobicContact CG2-CD2 3.73Å; I252-Y304 HydrophobicContact CG2-CE2 3.85Å; I252-A307 HydrophobicContact CD1-CB 3.84Å; I252-A307 HydrophobicContact CG1-CB 3.95Å
253	P	98.1	Very high	98.4	Very high	60 Å²	60	40.1 Å²	40.1	39%	0.39	21%	0.214	S	C	.	.			trans	-77.4	158.5	175.9	31.9	-35	0	0	0	112.5	E255 E256 L257	P253-E255 VanDerWaalsContact C-N 3.27Å; P253-E255 PolarHBondContact O-N 3.23Å; P253-E256 HydrophobicContact CG-CB 4.18Å; P253-E256 HydrophobicContact CG-CG 3.86Å; P253-E256 PolarHBondContact O-N 2.97Å; P253-L257 PolarHBondContact O-N 3.47Å
254	D	98.4	Very high	98.4	Very high	54 Å²	54	40.2 Å²	40.2	29%	0.289	22%	0.215	S	C	.	.	H	α-helix	trans	-61.1	-30.8	-175.4	-68.1	-19.5	0	0	0	113.9	R228 T230 V232 E256 L257 K258	R228-D254 IonicContact CZ-OD1 3.72Å; R228-D254 IonicContact NH1-OD1 2.88Å; R228-D254 PolarHBondContact NH1-OD1 3.08Å; R228-D254 IonicContact NH2-OD1 2.78Å; R228-D254 PolarHBondContact NH2-OD1 2.85Å; T230-D254 WeakPolarHBondContact CB-OD1 3.49Å; T230-D254 VanDerWaalsContact OG1-CG 3.28Å; T230-D254 PolarHBondContact OG1-OD1 2.98Å; T230-D254 PolarHBondContact OG1-OD2 3.42Å; V232-D254 HydrophobicContact CB-CB 4.18Å; V232-D254 HydrophobicContact CG2-CB 4.07Å; D254-E256 VanDerWaalsContact C-N 3.31Å; D254-E256 PolarHBondContact O-N 3.05Å; D254-L257 WeakPolarHBondContact O-CB 3.35Å; D254-L257 PolarHBondContact O-N 3.01Å; D254-L257 WeakPolarHBondContact OD1-CD1 3.38Å; D254-K258 PolarHBondContact O-N 3.33Å
255	E	97.8	Very high	98.4	Very high	118 Å²	118	39.8 Å²	39.8	55%	0.551	21%	0.212	S	C	*	.	H	α-helix	trans	-66.6	-30.8	174.9	-69.1	-55.1	131.7	0	0	113.2	P253 K258	P253-E255 VanDerWaalsContact C-N 3.27Å; P253-E255 PolarHBondContact O-N 3.23Å; E255-K258 IonicContact OE1-NZ 2.87Å; E255-K258 PolarHBondContact OE1-NZ 2.76Å; E255-K258 IonicContact OE2-NZ 3.21Å
256	E	98.3	Very high	98.5	Very high	40 Å²	40	43.7 Å²	43.7	19%	0.187	23%	0.228	C	C	.	.	H	α-helix	trans	-72.5	-35.6	172.5	-74.6	-174.7	-140.8	0	0	110.8	I252 P253 D254 K258 R259 V260 K303	I252-E256 HydrophobicContact CG2-CB 3.9Å; P253-E256 HydrophobicContact CG-CB 4.18Å; P253-E256 HydrophobicContact CG-CG 3.86Å; P253-E256 PolarHBondContact O-N 2.97Å; D254-E256 VanDerWaalsContact C-N 3.31Å; D254-E256 PolarHBondContact O-N 3.05Å; E256-K258 PolarHBondContact O-N 2.8Å; E256-R259 WeakPolarHBondContact O-CB 3.42Å; E256-R259 PolarHBondContact O-N 3.46Å; E256-V260 WeakPolarHBondContact O-CG2 3.14Å; E256-V260 PolarHBondContact O-N 3.42Å; E256-K303 IonicContact OE1-NZ 3.77Å; E256-K303 PolarHBondContact OE1-NZ 3.49Å; E256-K303 WeakPolarHBondContact OE2-CD 3.3Å; E256-K303 WeakPolarHBondContact OE2-CE 3.47Å; E256-K303 IonicContact OE2-NZ 2.85Å; E256-K303 PolarHBondContact OE2-NZ 3.05Å
257	L	98.7	Very high	98.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-57.3	-38.6	175.5	-56.9	179.6	0	0	0	112	T230 V232 L238 V248 I252 P253 D254 R259 V260 A261 I269 Y304	T230-L257 HydrophobicContact CG2-CD1 4.04Å; V232-L257 HydrophobicContact CG1-CD1 3.89Å; L238-L257 HydrophobicContact CD2-CB 4.34Å; V248-L257 HydrophobicContact CB-CD2 4.32Å; V248-L257 HydrophobicContact CG1-CD1 4.18Å; V248-L257 HydrophobicContact CG1-CD2 4.11Å; V248-L257 HydrophobicContact CG2-CD1 4.22Å; I252-L257 HydrophobicContact CG2-CD2 3.63Å; I252-L257 HydrophobicContact CG2-CG 4.25Å; P253-L257 PolarHBondContact O-N 3.47Å; D254-L257 WeakPolarHBondContact O-CB 3.35Å; D254-L257 PolarHBondContact O-N 3.01Å; D254-L257 WeakPolarHBondContact OD1-CD1 3.38Å; L257-R259 VanDerWaalsContact C-N 3.28Å; L257-R259 PolarHBondContact O-N 3.4Å; L257-V260 PolarHBondContact O-N 2.91Å; L257-A261 WeakPolarHBondContact O-CB 3.37Å; L257-A261 PolarHBondContact O-N 3.27Å; L257-I269 HydrophobicContact CB-CD1 4.2Å; L257-I269 HydrophobicContact CD2-CD1 3.95Å; L257-I269 HydrophobicContact CG-CD1 4.48Å; L257-Y304 HydrophobicContact CD2-CD2 4.17Å; L257-Y304 HydrophobicContact CD2-CE2 3.41Å; L257-Y304 VanDerWaalsContact CD2-CE2 3.41Å
258	K	98.4	Very high	98.5	Very high	102 Å²	102	44.1 Å²	44.1	44%	0.443	23%	0.232	S	C	.	.	H	α-helix	trans	-61	-36.6	175.7	-66.6	174.9	-177.2	169.1	0	112.4	L238 D254 E255 E256 A261 A262	L238-K258 HydrophobicContact CD1-CB 4.44Å; L238-K258 HydrophobicContact CD1-CG 4.03Å; D254-K258 PolarHBondContact O-N 3.33Å; E255-K258 IonicContact OE1-NZ 2.87Å; E255-K258 PolarHBondContact OE1-NZ 2.76Å; E255-K258 IonicContact OE2-NZ 3.21Å; E256-K258 PolarHBondContact O-N 2.8Å; K258-A261 PolarHBondContact O-N 3.15Å; K258-A262 PolarHBondContact O-N 3.28Å; K258-A262 VanDerWaalsContact O-N 3.11Å
259	R	98.6	Very high	98.5	Very high	149 Å²	149	44.1 Å²	44.1	56%	0.562	23%	0.232	S	C	*	.	H	α-helix	trans	-74.1	-39.7	177.4	-60.9	-176.9	-172.1	-170.8	5.4	111.9	E256 L257 A261 A262 F263 E300	E256-R259 WeakPolarHBondContact O-CB 3.42Å; E256-R259 PolarHBondContact O-N 3.46Å; L257-R259 VanDerWaalsContact C-N 3.28Å; L257-R259 PolarHBondContact O-N 3.4Å; R259-A261 VanDerWaalsContact C-N 3.3Å; R259-A261 PolarHBondContact O-N 3.08Å; R259-A262 WeakPolarHBondContact O-CB 3.25Å; R259-A262 PolarHBondContact O-N 2.97Å; R259-F263 PolarHBondContact O-N 2.87Å; R259-E300 HydrophobicContact CB-CB 4.05Å; R259-E300 HydrophobicContact CB-CG 3.88Å; R259-E300 VanDerWaalsContact CD-OE1 3.23Å; R259-E300 WeakPolarHBondContact CD-OE1 3.04Å; R259-E300 HydrophobicContact CG-CG 4.48Å; R259-E300 IonicContact CZ-OE1 3.28Å; R259-E300 IonicContact NE-OE1 2.77Å; R259-E300 IonicContact NH1-OE1 3.38Å; R259-E300 PolarHBondContact NH1-OE1 3.27Å
260	V	98.8	Very high	98.5	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.006	23%	0.232	C	C	.	.	H	α-helix	trans	-61	-42.3	171.7	-178	0	0	0	0	110.2	E256 L257 A262 F263 R264 I269 E300 D301 Y304	E256-V260 WeakPolarHBondContact O-CG2 3.14Å; E256-V260 PolarHBondContact O-N 3.42Å; L257-V260 PolarHBondContact O-N 2.91Å; V260-A262 VanDerWaalsContact C-N 3.3Å; V260-A262 PolarHBondContact O-N 3.09Å; V260-F263 PolarHBondContact O-N 3.44Å; V260-R264 HydrophobicContact CG1-CG 4.27Å; V260-R264 PolarHBondContact O-N 3.36Å; V260-I269 HydrophobicContact CB-CG2 3.97Å; V260-I269 HydrophobicContact CG1-CB 4.02Å; V260-I269 HydrophobicContact CG1-CG2 3.67Å; V260-E300 HydrophobicContact CG2-CB 4.07Å; V260-D301 HydrophobicContact CG1-CB 4.43Å; V260-D301 WeakPolarHBondContact CG1-OD2 3.24Å; V260-Y304 HydrophobicContact CG1-CD1 4.46Å; V260-Y304 HydrophobicContact CG1-CG 4.37Å; V260-Y304 HydrophobicContact CG2-CD2 4.16Å; V260-Y304 HydrophobicContact CG2-CG 4.13Å
261	A	98.8	Very high	98.5	Very high	10 Å²	10	40.7 Å²	40.7	8%	0.083	21%	0.211	C	C	.	.	H	α-helix	trans	-61.9	-36.5	177.2	0	0	0	0	0	112.4	L238 L257 K258 R259 F263 R264 G267 I269	L238-A261 HydrophobicContact CD1-CB 3.54Å; L238-A261 HydrophobicContact CG-CB 4.09Å; L257-A261 WeakPolarHBondContact O-CB 3.37Å; L257-A261 PolarHBondContact O-N 3.27Å; K258-A261 PolarHBondContact O-N 3.15Å; R259-A261 VanDerWaalsContact C-N 3.3Å; R259-A261 PolarHBondContact O-N 3.08Å; A261-F263 PolarHBondContact O-N 3.4Å; A261-R264 PolarHBondContact O-N 3.02Å; A261-G267 WeakPolarHBondContact O-CA 3.41Å; A261-I269 HydrophobicContact CB-CG2 3.63Å
262	A	98.5	Very high	98.6	Very high	83 Å²	83	36.3 Å²	36.3	69%	0.686	19%	0.188	S	C	*	.	H	α-helix	trans	-64.7	-25.7	173.8	0	0	0	0	0	113.1	K258 R259 V260	K258-A262 PolarHBondContact O-N 3.28Å; K258-A262 VanDerWaalsContact O-N 3.11Å; R259-A262 WeakPolarHBondContact O-CB 3.25Å; R259-A262 PolarHBondContact O-N 2.97Å; V260-A262 VanDerWaalsContact C-N 3.3Å; V260-A262 PolarHBondContact O-N 3.09Å
263	F	98.7	Very high	98.6	Very high	15 Å²	15	36.3 Å²	36.3	7%	0.066	19%	0.188	C	C	.	.	H	α-helix	trans	-92	-21.2	178.3	-168.6	-116.8	0	0	0	113.7	R259 V260 A261 P289 T290 V291 K296 S298 D301	R259-F263 PolarHBondContact O-N 2.87Å; V260-F263 PolarHBondContact O-N 3.44Å; A261-F263 PolarHBondContact O-N 3.4Å; F263-P289 HydrophobicContact CD1-CB 4.01Å; F263-P289 HydrophobicContact CE1-CB 3.45Å; F263-P289 VanDerWaalsContact CE1-CB 3.45Å; F263-P289 HydrophobicContact CZ-CB 3.98Å; F263-P289 CarbonylContact O-C 3.59Å; F263-T290 WeakPolarHBondContact CA-OG1 3Å; F263-T290 WeakPolarHBondContact CD2-OG1 3.4Å; F263-T290 WeakPolarHBondContact O-CB 3.44Å; F263-T290 WeakPolarHBondContact O-CG2 3.38Å; F263-T290 PolarHBondContact O-N 3.43Å; F263-T290 PolarHBondContact O-OG1 2.85Å; F263-V291 HydrophobicContact CZ-CG2 3.97Å; F263-K296 HydrophobicContact CE2-CB 4.37Å; F263-K296 WeakPolarHBondContact CZ-O 3.46Å; F263-S298 VanDerWaalsContact CG-CB 3.4Å; F263-D301 HydrophobicContact CD1-CB 3.66Å; F263-D301 HydrophobicContact CE1-CB 4.29Å
264	R	98.8	Very high	98.6	Very high	3 Å²	3	33.7 Å²	33.7	1%	0.011	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-94.4	132.6	179.1	-68.3	-78.1	177.1	179.5	-8.4	110.7	V260 A261 K266 G267 C286 S287 D301 E340	V260-R264 HydrophobicContact CG1-CG 4.27Å; V260-R264 PolarHBondContact O-N 3.36Å; A261-R264 PolarHBondContact O-N 3.02Å; R264-K266 PolarHBondContact O-N 3.33Å; R264-G267 PolarHBondContact O-N 3.3Å; R264-C286 PolarHBondContact NH1-SG 2.87Å; R264-C286 VanDerWaalsContact NH1-SG 3.37Å; R264-S287 WeakPolarHBondContact CD-O 3.38Å; R264-S287 PolarHBondContact NH1-O 2.79Å; R264-D301 IonicContact CZ-OD1 2.76Å; R264-D301 IonicContact CZ-OD2 3.72Å; R264-D301 IonicContact NE-OD1 3.53Å; R264-D301 IonicContact NE-OD2 2.74Å; R264-D301 PolarHBondContact NE-OD2 3.48Å; R264-D301 IonicContact NH2-OD1 3.57Å; R264-D301 PolarHBondContact NH2-OD1 2.95Å; R264-D301 IonicContact NH2-OD2 3.42Å; R264-D301 PolarHBondContact NH2-OD2 3.39Å; R264-E340 IonicContact CZ-OE1 3.49Å; R264-E340 IonicContact NH1-OE1 2.71Å; R264-E340 PolarHBondContact NH1-OE1 3.12Å; R264-E340 IonicContact NH2-OE1 3.91Å; R264-E340 PolarHBondContact NH2-OE1 3.01Å
265	A	98.6	Very high	98.7	Very high	16 Å²	16	31.3 Å²	31.3	13%	0.132	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-54.6	128.4	-177.3	0	0	0	0	0	111.3	G267 R268 S287 Q288 T290	A265-G267 PolarHBondContact O-N 2.79Å; A265-R268 PolarHBondContact O-N 2.82Å; A265-S287 PolarHBondContact N-OG 2.73Å; A265-S287 VanDerWaalsContact N-OG 3.07Å; A265-S287 VanDerWaalsContact O-CB 3.29Å; A265-S287 WeakPolarHBondContact O-CB 3.45Å; A265-S287 PolarHBondContact O-OG 3.38Å; A265-Q288 HydrophobicContact CB-CG 3.92Å; A265-Q288 PolarHBondContact N-O 2.83Å; A265-T290 HydrophobicContact CB-CG2 4.4Å
266	K	98.3	Very high	98.7	Very high	102 Å²	102	26 Å²	26	44%	0.443	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	61.2	22.5	-177.6	-56.2	171.1	170.7	147.9	0	114.6	C239 R264 R268 D421 W423	C239-K266 PolarHBondContact SG-O 3.06Å; R264-K266 PolarHBondContact O-N 3.33Å; K266-R268 HydrophobicContact CB-CG 4.3Å; K266-R268 PolarHBondContact O-N 2.95Å; K266-D421 IonicContact NZ-OD1 3.44Å; K266-D421 PolarHBondContact NZ-OD1 2.94Å; K266-D421 IonicContact NZ-OD2 3.81Å; K266-D421 PolarHBondContact NZ-OD2 2.82Å; K266-W423 HydrophobicContact CD-CE3 4.46Å; K266-W423 HydrophobicContact CD-CH2 3.59Å; K266-W423 HydrophobicContact CD-CZ3 3.5Å; K266-W423 VanDerWaalsContact CD-CZ3 3.5Å; K266-W423 VanDerWaalsContact CE-CH2 3.5Å
267	G	98.5	Very high	98.6	Very high	9 Å²	9	28.8 Å²	28.8	9%	0.093	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	71.9	8.6	179.4	0	0	0	0	0	114.7	C239 A261 R264 A265 I269	C239-G267 WeakPolarHBondContact CB-O 3.41Å; A261-G267 WeakPolarHBondContact O-CA 3.41Å; R264-G267 PolarHBondContact O-N 3.3Å; A265-G267 PolarHBondContact O-N 2.79Å; G267-I269 VanDerWaalsContact C-N 3.27Å; G267-I269 PolarHBondContact O-N 2.98Å
268	R	98.9	Very high	98.4	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.187	C	C	.	.			trans	-81	74.4	-174.6	-63.4	174.3	70.3	83	1.2	110.8	C239 T241 Y242 A265 K266 C286 S287 D421 G422 F458	C239-R268 WeakPolarHBondContact SG-CG 3.19Å; T241-R268 VanDerWaalsContact C-NH1 3.34Å; T241-R268 VanDerWaalsContact CB-NH1 3.28Å; T241-R268 PolarHBondContact O-NH1 3.19Å; T241-R268 PolarHBondContact OG1-NH1 3.42Å; Y242-R268 HydrophobicContact CD1-CB 4.36Å; Y242-R268 HydrophobicContact CD1-CG 4Å; Y242-R268 HydrophobicContact CE1-CB 3.69Å; Y242-R268 HydrophobicContact CE1-CG 3.76Å; Y242-R268 HydrophobicContact CE2-CB 4.45Å; A265-R268 PolarHBondContact O-N 2.82Å; K266-R268 HydrophobicContact CB-CG 4.3Å; K266-R268 PolarHBondContact O-N 2.95Å; R268-C286 WeakPolarHBondContact O-CA 3.27Å; R268-C286 VanDerWaalsContact O-CB 3.25Å; R268-C286 WeakPolarHBondContact O-CB 3.47Å; R268-S287 PolarHBondContact O-N 3.19Å; R268-S287 PolarHBondContact O-OG 2.84Å; R268-D421 WeakPolarHBondContact CD-O 3.47Å; R268-D421 PolarHBondContact NE-O 3.25Å; R268-G422 PolarHBondContact NH2-O 3.36Å; R268-F458 PolarHBondContact NH1-O 3.1Å; R268-F458 PolarHBondContact NH2-O 3.49Å
269	I	98.9	Very high	98.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.171	C	C	.	.			trans	-62.6	159.2	-179.8	61.4	163.3	0	0	0	112.4	L238 Y242 L257 V260 A261 G267 V271	L238-I269 HydrophobicContact CD2-CD1 3.84Å; L238-I269 HydrophobicContact CD2-CG1 4.37Å; Y242-I269 HydrophobicContact CE2-CG1 4.36Å; Y242-I269 VanDerWaalsContact CE2-O 3.25Å; Y242-I269 WeakPolarHBondContact CE2-O 3.42Å; Y242-I269 PolarHBondContact OH-O 3.43Å; L257-I269 HydrophobicContact CB-CD1 4.2Å; L257-I269 HydrophobicContact CD2-CD1 3.95Å; L257-I269 HydrophobicContact CG-CD1 4.48Å; V260-I269 HydrophobicContact CB-CG2 3.97Å; V260-I269 HydrophobicContact CG1-CB 4.02Å; V260-I269 HydrophobicContact CG1-CG2 3.67Å; A261-I269 HydrophobicContact CB-CG2 3.63Å; G267-I269 VanDerWaalsContact C-N 3.27Å; G267-I269 PolarHBondContact O-N 2.98Å; I269-V271 HydrophobicContact CD1-CG1 4.15Å; I269-V271 HydrophobicContact CG1-CG1 3.86Å; I269-V271 PolarHBondContact O-N 3.42Å
270	P	98.9	Very high	98.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.158	C	C	.	.			trans	-64.6	123	173	-9.7	22.9	0	0	0	110.8	R285 C286 Y304 L305 I308 V416	P270-R285 VanDerWaalsContact CA-O 3.3Å; P270-R285 WeakPolarHBondContact CA-O 3.45Å; P270-C286 HydrophobicContact CB-CB 4.01Å; P270-C286 HydrophobicContact CG-CB 3.86Å; P270-Y304 HydrophobicContact CB-CD1 4.27Å; P270-Y304 HydrophobicContact CB-CE1 3.81Å; P270-Y304 HydrophobicContact CG-CD1 3.96Å; P270-Y304 HydrophobicContact CG-CE1 3.93Å; P270-Y304 WeakPolarHBondContact O-CE1 3.49Å; P270-Y304 VanDerWaalsContact O-CZ 3.26Å; P270-Y304 PolarHBondContact O-OH 3.43Å; P270-L305 HydrophobicContact CB-CD2 4.26Å; P270-L305 HydrophobicContact CG-CD2 3.8Å; P270-I308 HydrophobicContact CB-CD1 3.97Å; P270-V416 HydrophobicContact CB-CG1 4.46Å
271	V	98.9	Very high	98.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	155	178.2	-62.8	0	0	0	0	110.3	Y242 L246 V248 I269 S273 T284 R285 F458	Y242-V271 HydrophobicContact CD2-CG2 4.4Å; Y242-V271 HydrophobicContact CE2-CB 4.46Å; Y242-V271 HydrophobicContact CE2-CG1 3.91Å; Y242-V271 HydrophobicContact CE2-CG2 3.65Å; L246-V271 HydrophobicContact CB-CG1 4.23Å; L246-V271 HydrophobicContact CD1-CG1 4.42Å; L246-V271 HydrophobicContact CD2-CG1 4.19Å; L246-V271 HydrophobicContact CD2-CG2 4.39Å; V248-V271 HydrophobicContact CG1-CG1 4.28Å; I269-V271 HydrophobicContact CD1-CG1 4.15Å; I269-V271 HydrophobicContact CG1-CG1 3.86Å; I269-V271 PolarHBondContact O-N 3.42Å; V271-S273 PolarHBondContact O-N 3.25Å; V271-T284 CarbonylContact O-C 3.5Å; V271-T284 WeakPolarHBondContact O-CA 3.46Å; V271-T284 WeakPolarHBondContact O-CB 3.47Å; V271-R285 HydrophobicContact CG2-CG 4.34Å; V271-R285 PolarHBondContact N-O 3.28Å; V271-R285 VanDerWaalsContact N-O 3.08Å; V271-R285 PolarHBondContact O-N 2.98Å; V271-F458 HydrophobicContact CG2-CE1 3.43Å; V271-F458 VanDerWaalsContact CG2-CE1 3.43Å; V271-F458 HydrophobicContact CG2-CZ 3.64Å
272	L	98.9	Very high	98.3	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	126.9	-178	-170.8	70.7	0	0	0	111.5	I222 W227 V247 W274 I275 T282 T284	I222-L272 HydrophobicContact CD1-CD2 3.92Å; I222-L272 HydrophobicContact CG1-CD2 3.88Å; W227-L272 HydrophobicContact CD2-CD1 4.41Å; W227-L272 HydrophobicContact CD2-CD2 4.39Å; W227-L272 HydrophobicContact CE3-CB 4.12Å; W227-L272 HydrophobicContact CE3-CD1 4.4Å; W227-L272 HydrophobicContact CE3-CD2 4.46Å; W227-L272 HydrophobicContact CH2-CD1 4.24Å; W227-L272 HydrophobicContact CZ2-CD1 4.27Å; W227-L272 HydrophobicContact CZ3-CB 4.09Å; W227-L272 HydrophobicContact CZ3-CD1 4.3Å; V247-L272 HydrophobicContact CB-CB 3.82Å; V247-L272 HydrophobicContact CB-CD2 4.34Å; V247-L272 HydrophobicContact CG1-CB 3.67Å; V247-L272 HydrophobicContact CG1-CD2 3.58Å; V247-L272 HydrophobicContact CG1-CG 4.27Å; V247-L272 PolarHBondContact O-N 2.94Å; L272-W274 VanDerWaalsContact CD1-O 3.3Å; L272-W274 WeakPolarHBondContact CD1-O 3.35Å; L272-I275 HydrophobicContact CD1-CB 4.37Å; L272-I275 HydrophobicContact CD2-CB 4.39Å; L272-I275 HydrophobicContact CD2-CG2 4.4Å; L272-T282 HydrophobicContact CD1-CG2 3.51Å; L272-T284 HydrophobicContact CD1-CG2 4.37Å
273	S	98.9	Very high	98.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-42.7	164.5	-83.4	0	0	0	0	111.2	V271 V283 R285 K453 E454	V271-S273 PolarHBondContact O-N 3.25Å; S273-V283 WeakPolarHBondContact CB-O 3.46Å; S273-V283 PolarHBondContact N-O 3.49Å; S273-R285 WeakPolarHBondContact OG-CD 3.46Å; S273-R285 WeakPolarHBondContact OG-CG 3.39Å; S273-K453 PolarHBondContact O-NZ 2.65Å; S273-E454 WeakPolarHBondContact CB-OE1 3.4Å; S273-E454 PolarHBondContact OG-OE1 3.49Å; S273-E454 PolarHBondContact OG-OE2 2.9Å
274	W	98.9	Very high	98.3	Very high	6 Å²	6	22.4 Å²	22.4	2%	0.023	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	149.9	-177.3	-171.7	84.4	0	0	0	111.7	L272 H276 T282 V283 V408 L434 L437 D438 Y441	L272-W274 VanDerWaalsContact CD1-O 3.3Å; L272-W274 WeakPolarHBondContact CD1-O 3.35Å; W274-H276 HydrophobicContact CH2-CB 3.76Å; W274-H276 AromaticContact CH2-CD2 3.96Å; W274-H276 AromaticContact CH2-CG 3.99Å; W274-H276 HydrophobicContact CZ3-CB 3.56Å; W274-T282 CarbonylContact O-C 3.19Å; W274-T282 WeakPolarHBondContact O-CA 3.46Å; W274-V283 HydrophobicContact CB-CB 4.35Å; W274-V283 HydrophobicContact CE3-CG2 4.47Å; W274-V283 PolarHBondContact N-O 3.13Å; W274-V283 VanDerWaalsContact N-O 3.15Å; W274-V283 PolarHBondContact O-N 3.48Å; W274-V408 HydrophobicContact CE3-CG1 4.31Å; W274-V408 HydrophobicContact CZ3-CG1 3.67Å; W274-L434 HydrophobicContact CB-CD1 3.77Å; W274-L434 HydrophobicContact CB-CD2 4.05Å; W274-L434 HydrophobicContact CB-CG 3.78Å; W274-L434 HydrophobicContact CG-CD1 4.43Å; W274-L434 HydrophobicContact CG-CG 4.07Å; W274-L437 HydrophobicContact CE3-CD1 4.02Å; W274-L437 HydrophobicContact CH2-CB 3.88Å; W274-L437 HydrophobicContact CH2-CD1 4.31Å; W274-L437 HydrophobicContact CH2-CG 4.48Å; W274-L437 HydrophobicContact CZ2-CB 4.05Å; W274-L437 HydrophobicContact CZ3-CB 4.26Å; W274-L437 HydrophobicContact CZ3-CD1 3.84Å; W274-L437 HydrophobicContact CZ3-CG 4.46Å; W274-D438 HydrophobicContact CZ2-CB 4.25Å; W274-D438 PolarHBondContact NE1-OD2 3.16Å; W274-Y441 AromaticContact CD1-CE2 3.92Å
275	I	98.8	Very high	98.3	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.015	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	135.6	174.1	-176.8	161.6	0	0	0	110.3	Q220 I222 L272 Q280 T282	Q220-I275 HydrophobicContact CB-CG2 3.89Å; Q220-I275 VanDerWaalsContact O-CG2 3.32Å; Q220-I275 WeakPolarHBondContact O-CG2 3.5Å; I222-I275 HydrophobicContact CD1-CD1 4.16Å; I222-I275 HydrophobicContact CD1-CG2 4.05Å; I222-I275 HydrophobicContact CG1-CG2 3.93Å; L272-I275 HydrophobicContact CD1-CB 4.37Å; L272-I275 HydrophobicContact CD2-CB 4.39Å; L272-I275 HydrophobicContact CD2-CG2 4.4Å; I275-Q280 HydrophobicContact CD1-CB 4.33Å; I275-Q280 VanDerWaalsContact CD1-OE1 3.25Å; I275-T282 HydrophobicContact CB-CG2 4.02Å; I275-T282 HydrophobicContact CD1-CG2 3.92Å; I275-T282 HydrophobicContact CG1-CG2 3.83Å
276	H	98.3	Very high	98.4	Very high	8 Å²	8	21.5 Å²	21.5	4%	0.037	11%	0.111	C	C	.	.			trans	-69.8	128.6	178	-172.5	-63.7	0	0	0	110.4	W274 E278 S279 Q280 A281 V408 E409	W274-H276 HydrophobicContact CH2-CB 3.76Å; W274-H276 AromaticContact CH2-CD2 3.96Å; W274-H276 AromaticContact CH2-CG 3.99Å; W274-H276 HydrophobicContact CZ3-CB 3.56Å; H276-E278 VanDerWaalsContact C-N 3.29Å; H276-E278 PolarHBondContact ND1-N 3.14Å; H276-E278 PolarHBondContact O-N 3.02Å; H276-S279 WeakPolarHBondContact CB-OG 3.4Å; H276-S279 PolarHBondContact ND1-N 3.29Å; H276-S279 VanDerWaalsContact ND1-N 3.13Å; H276-S279 PolarHBondContact ND1-OG 2.81Å; H276-Q280 WeakPolarHBondContact O-CA 3.29Å; H276-Q280 PolarHBondContact O-N 3.31Å; H276-Q280 VanDerWaalsContact O-N 3.15Å; H276-Q280 PolarHBondContact O-NE2 3.5Å; H276-A281 HydrophobicContact CB-CB 4.34Å; H276-A281 WeakPolarHBondContact CB-O 3.45Å; H276-A281 PolarHBondContact N-O 2.98Å; H276-V408 HydrophobicContact CB-CG1 4.42Å; H276-E409 IonicContact CD2-OE2 2.65Å; H276-E409 PolarHBondContact CD2-OE2 2.87Å; H276-E409 IonicContact NE2-OE1 3.83Å; H276-E409 IonicContact NE2-OE2 3.24Å; H276-E409 PolarHBondContact NE2-OE2 3.19Å
277	P	96.3	Very high	98.4	Very high	97 Å²	97	16.6 Å²	16.6	63%	0.63	9%	0.09	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-35.4	-172.1	22.5	-33.8	0	0	0	113.4	Q280	P277-Q280 PolarHBondContact O-NE2 2.64Å; P277-Q280 VanDerWaalsContact O-NE2 3.1Å
278	E	95.3	Very high	98.4	Very high	151 Å²	151	16.8 Å²	16.8	71%	0.706	9%	0.088	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-59.7	179.7	-54.4	178.8	176.2	0	0	113.4	H276 Q280	H276-E278 VanDerWaalsContact C-N 3.29Å; H276-E278 PolarHBondContact ND1-N 3.14Å; H276-E278 PolarHBondContact O-N 3.02Å; E278-Q280 VanDerWaalsContact C-N 3.31Å; E278-Q280 PolarHBondContact O-N 3.04Å
279	S	96.6	Very high	98.4	Very high	13 Å²	13	16.8 Å²	16.8	9%	0.091	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-12.7	-171.6	68.5	0	0	0	0	115.5	H276 A281 N312	H276-S279 WeakPolarHBondContact CB-OG 3.4Å; H276-S279 PolarHBondContact ND1-N 3.29Å; H276-S279 VanDerWaalsContact ND1-N 3.13Å; H276-S279 PolarHBondContact ND1-OG 2.81Å; S279-A281 PolarHBondContact O-N 2.8Å; S279-A281 VanDerWaalsContact O-N 3.13Å; S279-A281 WeakPolarHBondContact OG-CB 3.44Å; S279-A281 PolarHBondContact OG-N 3.33Å; S279-N312 PolarHBondContact O-OD1 2.76Å
280	Q	97.9	Very high	98.4	Very high	62 Å²	62	18.9 Å²	18.9	29%	0.29	10%	0.101	S	C	.	.			trans	60.8	10.9	-171.7	-52.5	-58.8	-65.4	0	0	114.5	N224 I275 H276 P277 E278 T282	N224-Q280 PolarHBondContact ND2-OE1 3.03Å; I275-Q280 HydrophobicContact CD1-CB 4.33Å; I275-Q280 VanDerWaalsContact CD1-OE1 3.25Å; H276-Q280 WeakPolarHBondContact O-CA 3.29Å; H276-Q280 PolarHBondContact O-N 3.31Å; H276-Q280 VanDerWaalsContact O-N 3.15Å; H276-Q280 PolarHBondContact O-NE2 3.5Å; P277-Q280 PolarHBondContact O-NE2 2.64Å; P277-Q280 VanDerWaalsContact O-NE2 3.1Å; E278-Q280 VanDerWaalsContact C-N 3.31Å; E278-Q280 PolarHBondContact O-N 3.04Å; Q280-T282 WeakPolarHBondContact O-CG2 3.49Å
281	A	98.6	Very high	98.3	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.104	C	C	.	.			trans	-63.2	135.4	170.7	0	0	0	0	0	110.5	H276 S279 V408	H276-A281 HydrophobicContact CB-CB 4.34Å; H276-A281 WeakPolarHBondContact CB-O 3.45Å; H276-A281 PolarHBondContact N-O 2.98Å; S279-A281 PolarHBondContact O-N 2.8Å; S279-A281 VanDerWaalsContact O-N 3.13Å; S279-A281 WeakPolarHBondContact OG-CB 3.44Å; S279-A281 PolarHBondContact OG-N 3.33Å; A281-V408 HydrophobicContact CB-CG1 4.06Å
282	T	98.9	Very high	98.1	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	151.2	-172.5	59.9	0	0	0	0	113.6	W227 L272 W274 I275 Q280 S414 V415	W227-T282 HydrophobicContact CH2-CG2 4.44Å; W227-T282 HydrophobicContact CZ2-CG2 3.52Å; L272-T282 HydrophobicContact CD1-CG2 3.51Å; W274-T282 CarbonylContact O-C 3.19Å; W274-T282 WeakPolarHBondContact O-CA 3.46Å; I275-T282 HydrophobicContact CB-CG2 4.02Å; I275-T282 HydrophobicContact CD1-CG2 3.92Å; I275-T282 HydrophobicContact CG1-CG2 3.83Å; Q280-T282 WeakPolarHBondContact O-CG2 3.49Å; T282-S414 PolarHBondContact N-OG 3.5Å; T282-S414 VanDerWaalsContact N-OG 3.1Å; T282-S414 CarbonylContact O-C 3.06Å; T282-S414 WeakPolarHBondContact O-CA 3.47Å; T282-S414 WeakPolarHBondContact OG1-CB 3.34Å; T282-S414 PolarHBondContact OG1-OG 3.32Å; T282-V415 PolarHBondContact O-N 3.35Å
283	V	98.9	Very high	97.9	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	116.4	160.3	-178.5	0	0	0	0	107.1	S273 W274 I404 V408 V415 V417 T430 L434 L437	S273-V283 WeakPolarHBondContact CB-O 3.46Å; S273-V283 PolarHBondContact N-O 3.49Å; W274-V283 HydrophobicContact CB-CB 4.35Å; W274-V283 HydrophobicContact CE3-CG2 4.47Å; W274-V283 PolarHBondContact N-O 3.13Å; W274-V283 VanDerWaalsContact N-O 3.15Å; W274-V283 PolarHBondContact O-N 3.48Å; V283-I404 HydrophobicContact CG2-CG2 4.3Å; V283-V408 HydrophobicContact CG2-CG2 3.84Å; V283-V415 HydrophobicContact CB-CG2 4.19Å; V283-V415 HydrophobicContact CG1-CG2 4.14Å; V283-V415 HydrophobicContact CG2-CG2 3.96Å; V283-V417 HydrophobicContact CG1-CG2 4.13Å; V283-T430 HydrophobicContact CG1-CG2 4.01Å; V283-L434 HydrophobicContact CB-CD1 4.36Å; V283-L434 HydrophobicContact CG1-CD1 4.26Å; V283-L434 HydrophobicContact CG2-CD1 4.45Å; V283-L437 HydrophobicContact CG2-CD1 4.39Å
284	T	98.9	Very high	97.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	153.2	173.7	60.3	0	0	0	0	110.7	W227 V271 L272 I308 V415 V416 V417	W227-T284 HydrophobicContact CH2-CG2 3.74Å; W227-T284 HydrophobicContact CZ3-CG2 4.33Å; V271-T284 CarbonylContact O-C 3.5Å; V271-T284 WeakPolarHBondContact O-CA 3.46Å; V271-T284 WeakPolarHBondContact O-CB 3.47Å; L272-T284 HydrophobicContact CD1-CG2 4.37Å; T284-I308 HydrophobicContact CG2-CD1 4.25Å; T284-I308 HydrophobicContact CG2-CG2 4.07Å; T284-V415 PolarHBondContact N-O 3.3Å; T284-V415 PolarHBondContact OG1-O 3.03Å; T284-V416 CarbonylContact O-C 3.58Å; T284-V416 WeakPolarHBondContact O-CA 3.23Å; T284-V416 WeakPolarHBondContact OG1-CA 3.29Å; T284-V416 WeakPolarHBondContact OG1-CG2 3.46Å; T284-V417 PolarHBondContact O-N 3.21Å
285	R	98.9	Very high	97.4	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	143.9	-177.4	65.6	-177.3	-69.2	175.9	-4.5	113.6	Y242 P270 V271 S273 V417 G422 T426 T430 E454 F458	Y242-R285 PolarHBondContact OH-O 3.36Å; Y242-R285 VanDerWaalsContact OH-O 3.06Å; P270-R285 VanDerWaalsContact CA-O 3.3Å; P270-R285 WeakPolarHBondContact CA-O 3.45Å; V271-R285 HydrophobicContact CG2-CG 4.34Å; V271-R285 PolarHBondContact N-O 3.28Å; V271-R285 VanDerWaalsContact N-O 3.08Å; V271-R285 PolarHBondContact O-N 2.98Å; S273-R285 WeakPolarHBondContact OG-CD 3.46Å; S273-R285 WeakPolarHBondContact OG-CG 3.39Å; R285-V417 VanDerWaalsContact CA-O 3.32Å; R285-V417 WeakPolarHBondContact CA-O 3.48Å; R285-G422 PolarHBondContact NH2-O 3.09Å; R285-T426 HydrophobicContact CB-CG2 3.78Å; R285-T430 HydrophobicContact CB-CG2 4.03Å; R285-T430 PolarHBondContact NH1-OG1 2.72Å; R285-E454 IonicContact CZ-OE2 2.83Å; R285-E454 PolarHBondContact NH1-O 2.91Å; R285-E454 IonicContact NH1-OE2 3.46Å; R285-E454 PolarHBondContact NH1-OE2 2.95Å; R285-E454 PolarHBondContact NH2-O 3.46Å; R285-F458 HydrophobicContact CG-CD1 4.38Å; R285-F458 HydrophobicContact CG-CE1 4.03Å; R285-F458 HydrophobicContact CG-CZ 4.4Å
286	C	98.9	Very high	97.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	-179	177.7	53.6	0	0	0	0	113.3	R264 R268 P270 V416 V417 H418 G422	R264-C286 PolarHBondContact NH1-SG 2.87Å; R264-C286 VanDerWaalsContact NH1-SG 3.37Å; R268-C286 WeakPolarHBondContact O-CA 3.27Å; R268-C286 VanDerWaalsContact O-CB 3.25Å; R268-C286 WeakPolarHBondContact O-CB 3.47Å; P270-C286 HydrophobicContact CB-CB 4.01Å; P270-C286 HydrophobicContact CG-CB 3.86Å; C286-V416 VanDerWaalsContact SG-CG1 3.52Å; C286-V417 PolarHBondContact N-O 3.03Å; C286-V417 VanDerWaalsContact N-O 3.15Å; C286-H418 WeakPolarHBondContact O-CA 3.3Å; C286-H418 WeakPolarHBondContact O-CB 3.21Å; C286-H418 VanDerWaalsContact SG-CB 3.59Å; C286-G422 VanDerWaalsContact O-CA 3.23Å; C286-G422 WeakPolarHBondContact O-CA 3.23Å
287	S	98.9	Very high	97.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.237	C	C	.	.			trans	-91.1	174.1	159.9	66.2	0	0	0	0	111.8	R264 A265 R268	R264-S287 WeakPolarHBondContact CD-O 3.38Å; R264-S287 PolarHBondContact NH1-O 2.79Å; A265-S287 PolarHBondContact N-OG 2.73Å; A265-S287 VanDerWaalsContact N-OG 3.07Å; A265-S287 VanDerWaalsContact O-CB 3.29Å; A265-S287 WeakPolarHBondContact O-CB 3.45Å; A265-S287 PolarHBondContact O-OG 3.38Å; R268-S287 PolarHBondContact O-N 3.19Å; R268-S287 PolarHBondContact O-OG 2.84Å
288	Q	98.8	Very high	97.4	Very high	12 Å²	12	40.4 Å²	40.4	6%	0.056	21%	0.21	C	C	.	.			trans	-61.3	151.2	176.5	68.8	-170.5	-46.8	0	0	112.9	A265 N332 G338 C419 S420	A265-Q288 HydrophobicContact CB-CG 3.92Å; A265-Q288 PolarHBondContact N-O 2.83Å; Q288-N332 PolarHBondContact NE2-OD1 2.68Å; Q288-N332 VanDerWaalsContact OE1-CB 3.26Å; Q288-G338 VanDerWaalsContact OE1-N 3.08Å; Q288-C419 WeakPolarHBondContact CB-O 3.47Å; Q288-C419 PolarHBondContact N-O 3.25Å; Q288-S420 VanDerWaalsContact CG-O 3.27Å; Q288-S420 WeakPolarHBondContact CG-O 3.35Å; Q288-S420 PolarHBondContact N-O 3.46Å; Q288-S420 VanDerWaalsContact N-O 3.09Å; Q288-S420 PolarHBondContact NE2-O 3.24Å
289	P	98.7	Very high	97.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-70.5	151.5	167.3	31.5	-35.4	0	0	0	111.6	F263 V291 G337 G338 E340	F263-P289 HydrophobicContact CD1-CB 4.01Å; F263-P289 HydrophobicContact CE1-CB 3.45Å; F263-P289 VanDerWaalsContact CE1-CB 3.45Å; F263-P289 HydrophobicContact CZ-CB 3.98Å; F263-P289 CarbonylContact O-C 3.59Å; P289-V291 VanDerWaalsContact C-N 3.3Å; P289-V291 HydrophobicContact CB-CG2 3.95Å; P289-V291 HydrophobicContact CG-CG2 3.9Å; P289-V291 PolarHBondContact O-N 3.01Å; P289-G337 CarbonylContact O-C 3.55Å; P289-G337 WeakPolarHBondContact O-CA 3.33Å; P289-G338 PolarHBondContact O-N 3.32Å; P289-G338 VanDerWaalsContact O-N 3.09Å; P289-E340 HydrophobicContact CG-CG 4.3Å
290	T	98.2	Very high	97.6	Very high	44 Å²	44	42.7 Å²	42.7	27%	0.27	22%	0.217	S	C	.	.			trans	-93.9	52.7	-179.7	56.7	0	0	0	0	112.2	F263 A265 G336	F263-T290 WeakPolarHBondContact CA-OG1 3Å; F263-T290 WeakPolarHBondContact CD2-OG1 3.4Å; F263-T290 WeakPolarHBondContact O-CB 3.44Å; F263-T290 WeakPolarHBondContact O-CG2 3.38Å; F263-T290 PolarHBondContact O-N 3.43Å; F263-T290 PolarHBondContact O-OG1 2.85Å; A265-T290 HydrophobicContact CB-CG2 4.4Å; T290-G336 CarbonylContact C-O 3.56Å; T290-G336 VanDerWaalsContact CA-O 3.24Å; T290-G336 WeakPolarHBondContact CA-O 3.4Å
291	V	97.4	Very high	97.7	Very high	11 Å²	11	39.8 Å²	39.8	7%	0.067	20%	0.203	C	C	.	.			trans	-62.1	-45.9	-177.7	179.4	0	0	0	0	111.6	F263 P289 K296 G337	F263-V291 HydrophobicContact CZ-CG2 3.97Å; P289-V291 VanDerWaalsContact C-N 3.3Å; P289-V291 HydrophobicContact CB-CG2 3.95Å; P289-V291 HydrophobicContact CG-CG2 3.9Å; P289-V291 PolarHBondContact O-N 3.01Å; V291-K296 WeakPolarHBondContact O-CB 3.36Å; V291-K296 PolarHBondContact O-N 2.86Å; V291-G337 PolarHBondContact N-O 3.05Å
292	G	96.1	Very high	97.7	Very high	9 Å²	9	41.6 Å²	41.6	9%	0.093	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	-175.6	-176.4	0	0	0	0	0	114.6	N294 G295 K333 G337	G292-N294 PolarHBondContact O-N 2.9Å; G292-G295 PolarHBondContact O-N 3.38Å; G292-K333 CarbonylContact C-O 3.56Å; G292-K333 VanDerWaalsContact C-O 3.31Å; G292-K333 VanDerWaalsContact CA-O 3.28Å; G292-K333 WeakPolarHBondContact CA-O 3.38Å; G292-K333 WeakPolarHBondContact O-CE 3.4Å; G292-K333 WeakPolarHBondContact O-CG 3.5Å; G292-G337 PolarHBondContact N-O 3.38Å
293	V	94.3	Very high	97.6	Very high	87 Å²	87	46 Å²	46	53%	0.527	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-28.7	178.7	-65.5	0	0	0	0	113.2	G295 K333 M334	V293-G295 PolarHBondContact O-N 2.91Å; V293-K333 PolarHBondContact N-O 3.03Å; V293-M334 HydrophobicContact CG1-CB 4.5Å; V293-M334 HydrophobicContact CG1-CE 3.89Å; V293-M334 HydrophobicContact CG1-SD 3.69Å
294	N	93.7	Very high	97.6	Very high	137 Å²	137	46 Å²	46	73%	0.733	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.2	0	-177.7	-65.2	-12.1	0	0	0	113.4	G292 K296	G292-N294 PolarHBondContact O-N 2.9Å; N294-K296 PolarHBondContact O-N 3.48Å
295	G	94.1	Very high	97.6	Very high	38 Å²	38	46.2 Å²	46.2	39%	0.392	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	65	37.7	-179.7	0	0	0	0	0	113	G292 V293	G292-G295 PolarHBondContact O-N 3.38Å; V293-G295 PolarHBondContact O-N 2.91Å
296	K	96.3	Very high	97.6	Very high	135 Å²	135	49.2 Å²	49.2	59%	0.587	25%	0.245	S	C	*	.			trans	-58.7	141.7	178.2	-67.7	-176.6	177.4	-178.8	0	110.2	F263 V291 N294	F263-K296 HydrophobicContact CE2-CB 4.37Å; F263-K296 WeakPolarHBondContact CZ-O 3.46Å; V291-K296 WeakPolarHBondContact O-CB 3.36Å; V291-K296 PolarHBondContact O-N 2.86Å; N294-K296 PolarHBondContact O-N 3.48Å
297	R	97.4	Very high	97.5	Very high	140 Å²	140	49.5 Å²	49.5	53%	0.528	25%	0.248	S	C	.	.			trans	-121.6	156.3	177.9	-71.7	176.8	63.3	168.6	2.2	109.7	E302 A344	R297-E302 WeakPolarHBondContact CB-OE1 3.32Å; R297-E302 IonicContact CZ-OE1 2.88Å; R297-E302 IonicContact CZ-OE2 3.21Å; R297-E302 IonicContact NE-OE1 3.55Å; R297-E302 PolarHBondContact NE-OE1 3.02Å; R297-E302 IonicContact NE-OE2 2.89Å; R297-E302 VanDerWaalsContact NH2-CD 3.26Å; R297-E302 IonicContact NH2-OE1 3.18Å; R297-E302 PolarHBondContact NH2-OE1 3.21Å; R297-E302 VanDerWaalsContact NH2-OE1 3.17Å; R297-E302 IonicContact NH2-OE2 2.64Å; R297-E302 PolarHBondContact NH2-OE2 3.18Å; R297-A344 HydrophobicContact CG-CB 4.18Å
298	S	98.3	Very high	97.5	Very high	10 Å²	10	49.5 Å²	49.5	7%	0.07	25%	0.248	C	C	.	.			trans	-127.3	114.3	170.7	170.6	0	0	0	0	108.4	F263 E300 D301 E302	F263-S298 VanDerWaalsContact CG-CB 3.4Å; S298-E300 PolarHBondContact O-N 3Å; S298-D301 PolarHBondContact O-N 3.48Å; S298-D301 PolarHBondContact OG-N 2.95Å; S298-D301 VanDerWaalsContact OG-N 3.12Å; S298-E302 WeakPolarHBondContact O-CG 3.44Å; S298-E302 PolarHBondContact O-N 2.68Å
299	K	98.3	Very high	97.5	Very high	169 Å²	169	49.4 Å²	49.4	74%	0.735	25%	0.248	S	C	*	.	H	α-helix	trans	-58.7	-36.6	176.3	-177.9	179.5	177.2	-179.1	0	110.8	K303	K299-K303 VanDerWaalsContact O-CB 3.25Å; K299-K303 WeakPolarHBondContact O-CB 3.22Å; K299-K303 PolarHBondContact O-N 2.89Å
300	E	98.6	Very high	97.4	Very high	43 Å²	43	54.1 Å²	54.1	20%	0.201	27%	0.273	C	S	.	.	H	α-helix	trans	-68.1	-42.4	177.2	-64.9	85.8	174.4	0	0	112.3	R259 V260 S298 K303 Y304	R259-E300 HydrophobicContact CB-CB 4.05Å; R259-E300 HydrophobicContact CB-CG 3.88Å; R259-E300 VanDerWaalsContact CD-OE1 3.23Å; R259-E300 WeakPolarHBondContact CD-OE1 3.04Å; R259-E300 HydrophobicContact CG-CG 4.48Å; R259-E300 IonicContact CZ-OE1 3.28Å; R259-E300 IonicContact NE-OE1 2.77Å; R259-E300 IonicContact NH1-OE1 3.38Å; R259-E300 PolarHBondContact NH1-OE1 3.27Å; V260-E300 HydrophobicContact CG2-CB 4.07Å; S298-E300 PolarHBondContact O-N 3Å; E300-K303 PolarHBondContact O-N 3.36Å; E300-Y304 WeakPolarHBondContact O-CB 3.44Å; E300-Y304 PolarHBondContact O-N 3.38Å
301	D	98.8	Very high	97.4	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-67.1	-40.7	176	-169.9	-95.4	0	0	0	112.2	V260 F263 R264 S298 Y304 L305 Y345	V260-D301 HydrophobicContact CG1-CB 4.43Å; V260-D301 WeakPolarHBondContact CG1-OD2 3.24Å; F263-D301 HydrophobicContact CD1-CB 3.66Å; F263-D301 HydrophobicContact CE1-CB 4.29Å; R264-D301 IonicContact CZ-OD1 2.76Å; R264-D301 IonicContact CZ-OD2 3.72Å; R264-D301 IonicContact NE-OD1 3.53Å; R264-D301 IonicContact NE-OD2 2.74Å; R264-D301 PolarHBondContact NE-OD2 3.48Å; R264-D301 IonicContact NH2-OD1 3.57Å; R264-D301 PolarHBondContact NH2-OD1 2.95Å; R264-D301 IonicContact NH2-OD2 3.42Å; R264-D301 PolarHBondContact NH2-OD2 3.39Å; S298-D301 PolarHBondContact O-N 3.48Å; S298-D301 PolarHBondContact OG-N 2.95Å; S298-D301 VanDerWaalsContact OG-N 3.12Å; D301-Y304 WeakPolarHBondContact O-CB 3.42Å; D301-Y304 PolarHBondContact O-N 3.4Å; D301-L305 PolarHBondContact O-N 2.83Å; D301-Y345 WeakPolarHBondContact OD1-CE1 3.18Å; D301-Y345 PolarHBondContact OD1-OH 2.93Å
302	E	98.6	Very high	97.3	Very high	38 Å²	38	52.2 Å²	52.2	18%	0.178	26%	0.262	C	S	.	.	H	α-helix	trans	-61	-48.3	174.2	-70.1	169.8	-151.5	0	0	111.3	R297 S298 Y304 L305 Q306 Y345	R297-E302 WeakPolarHBondContact CB-OE1 3.32Å; R297-E302 IonicContact CZ-OE1 2.88Å; R297-E302 IonicContact CZ-OE2 3.21Å; R297-E302 IonicContact NE-OE1 3.55Å; R297-E302 PolarHBondContact NE-OE1 3.02Å; R297-E302 IonicContact NE-OE2 2.89Å; R297-E302 VanDerWaalsContact NH2-CD 3.26Å; R297-E302 IonicContact NH2-OE1 3.18Å; R297-E302 PolarHBondContact NH2-OE1 3.21Å; R297-E302 VanDerWaalsContact NH2-OE1 3.17Å; R297-E302 IonicContact NH2-OE2 2.64Å; R297-E302 PolarHBondContact NH2-OE2 3.18Å; S298-E302 WeakPolarHBondContact O-CG 3.44Å; S298-E302 PolarHBondContact O-N 2.68Å; E302-Y304 VanDerWaalsContact C-N 3.26Å; E302-Y304 PolarHBondContact O-N 2.93Å; E302-L305 PolarHBondContact O-N 3.35Å; E302-Q306 WeakPolarHBondContact O-CB 3.41Å; E302-Q306 PolarHBondContact O-N 2.53Å; E302-Y345 HydrophobicContact CB-CE1 4.38Å; E302-Y345 HydrophobicContact CG-CD1 4.13Å; E302-Y345 HydrophobicContact CG-CE1 3.8Å; E302-Y345 HydrophobicContact CG-CE2 4.47Å
303	K	98.4	Very high	97.1	Very high	93 Å²	93	56.2 Å²	56.2	40%	0.404	30%	0.295	S	S	.	.	H	α-helix	trans	-60.4	-37.8	173.4	-179.2	-172.6	169.9	-161.4	0	111.5	I252 E256 K299 E300 Q306 A307	I252-K303 HydrophobicContact CD1-CG 4.45Å; E256-K303 IonicContact OE1-NZ 3.77Å; E256-K303 PolarHBondContact OE1-NZ 3.49Å; E256-K303 WeakPolarHBondContact OE2-CD 3.3Å; E256-K303 WeakPolarHBondContact OE2-CE 3.47Å; E256-K303 IonicContact OE2-NZ 2.85Å; E256-K303 PolarHBondContact OE2-NZ 3.05Å; K299-K303 VanDerWaalsContact O-CB 3.25Å; K299-K303 WeakPolarHBondContact O-CB 3.22Å; K299-K303 PolarHBondContact O-N 2.89Å; E300-K303 PolarHBondContact O-N 3.36Å; K303-Q306 WeakPolarHBondContact O-CB 3.44Å; K303-Q306 PolarHBondContact O-N 3.44Å; K303-A307 PolarHBondContact O-N 3.05Å
304	Y	98.8	Very high	97	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-64.6	-47.3	179.9	-168.3	-95.1	0	0	0	111.7	V248 P249 I252 L257 V260 P270 E300 D301 E302 Q306 A307 I308	V248-Y304 WeakPolarHBondContact CB-OH 3.3Å; V248-Y304 VanDerWaalsContact CG1-OH 3.27Å; V248-Y304 WeakPolarHBondContact CG1-OH 3.44Å; P249-Y304 WeakPolarHBondContact CD-OH 3.38Å; P249-Y304 HydrophobicContact CG-CE2 4.44Å; I252-Y304 HydrophobicContact CB-CD2 4.16Å; I252-Y304 HydrophobicContact CB-CE2 4.12Å; I252-Y304 HydrophobicContact CD1-CD2 4.3Å; I252-Y304 HydrophobicContact CG1-CD2 3.74Å; I252-Y304 HydrophobicContact CG1-CE2 4.01Å; I252-Y304 HydrophobicContact CG2-CD2 3.73Å; I252-Y304 HydrophobicContact CG2-CE2 3.85Å; L257-Y304 HydrophobicContact CD2-CD2 4.17Å; L257-Y304 HydrophobicContact CD2-CE2 3.41Å; L257-Y304 VanDerWaalsContact CD2-CE2 3.41Å; V260-Y304 HydrophobicContact CG1-CD1 4.46Å; V260-Y304 HydrophobicContact CG1-CG 4.37Å; V260-Y304 HydrophobicContact CG2-CD2 4.16Å; V260-Y304 HydrophobicContact CG2-CG 4.13Å; P270-Y304 HydrophobicContact CB-CD1 4.27Å; P270-Y304 HydrophobicContact CB-CE1 3.81Å; P270-Y304 HydrophobicContact CG-CD1 3.96Å; P270-Y304 HydrophobicContact CG-CE1 3.93Å; P270-Y304 WeakPolarHBondContact O-CE1 3.49Å; P270-Y304 VanDerWaalsContact O-CZ 3.26Å; P270-Y304 PolarHBondContact O-OH 3.43Å; E300-Y304 WeakPolarHBondContact O-CB 3.44Å; E300-Y304 PolarHBondContact O-N 3.38Å; D301-Y304 WeakPolarHBondContact O-CB 3.42Å; D301-Y304 PolarHBondContact O-N 3.4Å; E302-Y304 VanDerWaalsContact C-N 3.26Å; E302-Y304 PolarHBondContact O-N 2.93Å; Y304-Q306 VanDerWaalsContact C-N 3.32Å; Y304-Q306 PolarHBondContact O-N 3.15Å; Y304-A307 WeakPolarHBondContact O-CB 3.41Å; Y304-A307 PolarHBondContact O-N 2.82Å; Y304-I308 HydrophobicContact CD1-CD1 3.99Å; Y304-I308 HydrophobicContact CD1-CG1 4.49Å; Y304-I308 HydrophobicContact CE1-CD1 3.82Å; Y304-I308 HydrophobicContact CE1-CG1 4.34Å; Y304-I308 WeakPolarHBondContact O-CG1 3.38Å; Y304-I308 PolarHBondContact O-N 2.94Å; Y304-I308 VanDerWaalsContact O-N 3.1Å
305	L	98.6	Very high	96.9	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.021	27%	0.27	C	S	.	.	H	α-helix	trans	-65.9	-35.9	175.6	-66.5	-160.8	0	0	0	112.2	P270 D301 E302 A307 I308 M309 L318 I320 E340 Y345 V416	P270-L305 HydrophobicContact CB-CD2 4.26Å; P270-L305 HydrophobicContact CG-CD2 3.8Å; D301-L305 PolarHBondContact O-N 2.83Å; E302-L305 PolarHBondContact O-N 3.35Å; L305-A307 VanDerWaalsContact C-N 3.33Å; L305-A307 PolarHBondContact O-N 2.69Å; L305-I308 HydrophobicContact CD2-CD1 3.77Å; L305-I308 PolarHBondContact O-N 3.14Å; L305-M309 PolarHBondContact O-N 2.93Å; L305-M309 VanDerWaalsContact O-N 3.11Å; L305-L318 HydrophobicContact CB-CD2 3.87Å; L305-L318 HydrophobicContact CD1-CD2 4.36Å; L305-L318 HydrophobicContact CD2-CD2 4.48Å; L305-L318 HydrophobicContact CG-CD2 4.47Å; L305-I320 HydrophobicContact CD1-CD1 3.72Å; L305-E340 HydrophobicContact CD1-CG 4.31Å; L305-Y345 HydrophobicContact CB-CD1 4.39Å; L305-Y345 HydrophobicContact CD1-CD1 3.68Å; L305-Y345 HydrophobicContact CD1-CE1 3.6Å; L305-Y345 HydrophobicContact CG-CD1 4.36Å; L305-Y345 HydrophobicContact CG-CE1 4.13Å; L305-V416 HydrophobicContact CD2-CG2 3.93Å
306	Q	98.1	Very high	96.7	Very high	63 Å²	63	58.9 Å²	58.9	29%	0.294	29%	0.288	S	S	.	.	H	α-helix	trans	-59.6	-43.5	171.1	-177.6	63.6	44.3	0	0	111.3	E302 K303 Y304 I308 M309 D310 N347	E302-Q306 WeakPolarHBondContact O-CB 3.41Å; E302-Q306 PolarHBondContact O-N 2.53Å; K303-Q306 WeakPolarHBondContact O-CB 3.44Å; K303-Q306 PolarHBondContact O-N 3.44Å; Y304-Q306 VanDerWaalsContact C-N 3.32Å; Y304-Q306 PolarHBondContact O-N 3.15Å; Q306-I308 VanDerWaalsContact C-N 3.33Å; Q306-I308 PolarHBondContact O-N 3.04Å; Q306-M309 WeakPolarHBondContact O-CB 3.35Å; Q306-M309 PolarHBondContact O-N 2.81Å; Q306-M309 VanDerWaalsContact O-N 3.1Å; Q306-D310 PolarHBondContact NE2-OD1 2.84Å; Q306-D310 PolarHBondContact NE2-OD2 3.41Å; Q306-D310 VanDerWaalsContact O-CG 3.22Å; Q306-D310 PolarHBondContact O-N 2.98Å; Q306-N347 PolarHBondContact OE1-ND2 2.9Å
307	A	98.4	Very high	96.7	Very high	6 Å²	6	57.8 Å²	57.8	5%	0.05	28%	0.284	C	S	.	.	H	α-helix	trans	-64.7	-32.8	177	0	0	0	0	0	113.5	P249 N251 I252 K303 Y304 L305 M309 A311	P249-A307 HydrophobicContact CB-CB 3.99Å; P249-A307 HydrophobicContact CG-CB 4.2Å; N251-A307 WeakPolarHBondContact OD1-CB 3.34Å; I252-A307 HydrophobicContact CD1-CB 3.84Å; I252-A307 HydrophobicContact CG1-CB 3.95Å; K303-A307 PolarHBondContact O-N 3.05Å; Y304-A307 WeakPolarHBondContact O-CB 3.41Å; Y304-A307 PolarHBondContact O-N 2.82Å; L305-A307 VanDerWaalsContact C-N 3.33Å; L305-A307 PolarHBondContact O-N 2.69Å; A307-M309 VanDerWaalsContact C-N 3.33Å; A307-A311 WeakPolarHBondContact O-CB 3.26Å; A307-A311 PolarHBondContact O-N 3.24Å
308	I	98.6	Very high	96.7	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-65.1	-39.5	172.2	-63.5	172	0	0	0	110.8	W227 P249 P270 T284 Y304 L305 Q306 L318	W227-I308 HydrophobicContact CH2-CB 4.38Å; W227-I308 HydrophobicContact CH2-CG1 4.01Å; W227-I308 HydrophobicContact CH2-CG2 4.03Å; W227-I308 HydrophobicContact CZ2-CG2 4.3Å; P249-I308 HydrophobicContact CG-CG1 3.84Å; P270-I308 HydrophobicContact CB-CD1 3.97Å; T284-I308 HydrophobicContact CG2-CD1 4.25Å; T284-I308 HydrophobicContact CG2-CG2 4.07Å; Y304-I308 HydrophobicContact CD1-CD1 3.99Å; Y304-I308 HydrophobicContact CD1-CG1 4.49Å; Y304-I308 HydrophobicContact CE1-CD1 3.82Å; Y304-I308 HydrophobicContact CE1-CG1 4.34Å; Y304-I308 WeakPolarHBondContact O-CG1 3.38Å; Y304-I308 PolarHBondContact O-N 2.94Å; Y304-I308 VanDerWaalsContact O-N 3.1Å; L305-I308 HydrophobicContact CD2-CD1 3.77Å; L305-I308 PolarHBondContact O-N 3.14Å; Q306-I308 VanDerWaalsContact C-N 3.33Å; Q306-I308 PolarHBondContact O-N 3.04Å; I308-L318 HydrophobicContact CG2-CD1 3.95Å
309	M	97.9	Very high	96.7	Very high	11 Å²	11	51.7 Å²	51.7	5%	0.054	26%	0.26	C	S	.	.	H	α-helix	trans	-67.7	-47.6	176.2	-170.4	-179.1	66	0	0	111.2	L305 Q306 A307 A311 N312 H316 K317 L318 N347	L305-M309 PolarHBondContact O-N 2.93Å; L305-M309 VanDerWaalsContact O-N 3.11Å; Q306-M309 WeakPolarHBondContact O-CB 3.35Å; Q306-M309 PolarHBondContact O-N 2.81Å; Q306-M309 VanDerWaalsContact O-N 3.1Å; A307-M309 VanDerWaalsContact C-N 3.33Å; M309-A311 PolarHBondContact O-N 3.25Å; M309-N312 PolarHBondContact O-N 3.45Å; M309-H316 VanDerWaalsContact SD-O 3.35Å; M309-K317 VanDerWaalsContact SD-C 3.55Å; M309-K317 VanDerWaalsContact SD-CA 3.56Å; M309-L318 HydrophobicContact CB-CB 4.27Å; M309-L318 HydrophobicContact CG-CB 4.35Å; M309-L318 HydrophobicContact SD-CB 4.36Å; M309-N347 HydrophobicContact CE-CB 3.59Å; M309-N347 HydrophobicContact SD-CB 3.62Å
310	D	97.4	Very high	96.8	Very high	98 Å²	98	43.7 Å²	43.7	52%	0.524	23%	0.225	S	C	.	.	H	α-helix	trans	-63.5	-24.2	-179.7	-63.7	-22.2	0	0	0	112.7	Q306 N312	Q306-D310 PolarHBondContact NE2-OD1 2.84Å; Q306-D310 PolarHBondContact NE2-OD2 3.41Å; Q306-D310 VanDerWaalsContact O-CG 3.22Å; Q306-D310 PolarHBondContact O-N 2.98Å; D310-N312 PolarHBondContact O-N 2.88Å
311	A	97.1	Very high	96.8	Very high	12 Å²	12	41.8 Å²	41.8	10%	0.099	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-11.7	172.4	0	0	0	0	0	113.7	W227 A307 M309	W227-A311 HydrophobicContact CZ2-CB 4.05Å; A307-A311 WeakPolarHBondContact O-CB 3.26Å; A307-A311 PolarHBondContact O-N 3.24Å; M309-A311 PolarHBondContact O-N 3.25Å
312	N	96.3	Very high	96.8	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.021	22%	0.216	C	C	.	.			trans	-115.2	103.2	174.8	176	2.2	0	0	0	110.3	S279 M309 D310 Q314 K412 S414	S279-N312 PolarHBondContact O-OD1 2.76Å; M309-N312 PolarHBondContact O-N 3.45Å; D310-N312 PolarHBondContact O-N 2.88Å; N312-Q314 PolarHBondContact O-N 3.46Å; N312-Q314 VanDerWaalsContact O-N 3.11Å; N312-Q314 WeakPolarHBondContact OD1-CB 3.41Å; N312-Q314 PolarHBondContact OD1-N 3.01Å; N312-K412 PolarHBondContact ND2-O 2.92Å; N312-S414 WeakPolarHBondContact CB-OG 3.46Å; N312-S414 PolarHBondContact ND2-N 2.75Å; N312-S414 PolarHBondContact ND2-OG 2.78Å
313	A	91.9	Very high	96.8	Very high	93 Å²	93	40 Å²	40	77%	0.769	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-11.3	-179.3	0	0	0	0	0	114.6
314	Q	91	Very high	96.8	Very high	133 Å²	133	35.6 Å²	35.6	62%	0.621	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-11.1	-174.4	-57.2	-63.2	-48.2	0	0	113.9	N312 K412	N312-Q314 PolarHBondContact O-N 3.46Å; N312-Q314 VanDerWaalsContact O-N 3.11Å; N312-Q314 WeakPolarHBondContact OD1-CB 3.41Å; N312-Q314 PolarHBondContact OD1-N 3.01Å; Q314-K412 HydrophobicContact CB-CB 4.27Å
315	S	91.6	Very high	96.8	Very high	18 Å²	18	36 Å²	36	13%	0.126	19%	0.191	C	C	.	.			trans	-139.4	139.8	-176.6	-179.2	0	0	0	0	112.6	K317 T413	S315-K317 PolarHBondContact OG-N 3.5Å; S315-K317 VanDerWaalsContact OG-N 3.08Å; S315-K317 PolarHBondContact OG-O 3.44Å; S315-T413 PolarHBondContact OG-OG1 2.92Å
316	H	91.7	Very high	96.8	Very high	167 Å²	167	38.6 Å²	38.6	77%	0.773	21%	0.209	S	C	*	.	S	Bend	trans	-98.6	12.8	171	-58.4	-60.7	0	0	0	113.1	M309	M309-H316 VanDerWaalsContact SD-O 3.35Å
317	K	94.9	Very high	96.8	Very high	112 Å²	112	40.4 Å²	40.4	49%	0.487	23%	0.225	S	C	.	.			trans	-131.5	149	175.6	-72.8	-169.9	171.4	-166.9	0	111	M309 S315 N347 E349 T413	M309-K317 VanDerWaalsContact SD-C 3.55Å; M309-K317 VanDerWaalsContact SD-CA 3.56Å; S315-K317 PolarHBondContact OG-N 3.5Å; S315-K317 VanDerWaalsContact OG-N 3.08Å; S315-K317 PolarHBondContact OG-O 3.44Å; K317-N347 WeakPolarHBondContact CA-O 3.42Å; K317-E349 IonicContact NZ-OE2 3.88Å; K317-T413 WeakPolarHBondContact O-CG2 3.4Å
318	L	97.9	Very high	96.8	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.021	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	136.8	169.5	-173.1	70.7	0	0	0	109.3	L305 I308 M309 N347 A348 E349 S414 V416	L305-L318 HydrophobicContact CB-CD2 3.87Å; L305-L318 HydrophobicContact CD1-CD2 4.36Å; L305-L318 HydrophobicContact CD2-CD2 4.48Å; L305-L318 HydrophobicContact CG-CD2 4.47Å; I308-L318 HydrophobicContact CG2-CD1 3.95Å; M309-L318 HydrophobicContact CB-CB 4.27Å; M309-L318 HydrophobicContact CG-CB 4.35Å; M309-L318 HydrophobicContact SD-CB 4.36Å; L318-N347 PolarHBondContact N-O 2.99Å; L318-A348 HydrophobicContact CB-CB 4.43Å; L318-A348 CarbonylContact O-C 3.57Å; L318-A348 WeakPolarHBondContact O-CA 3.36Å; L318-E349 PolarHBondContact O-N 3.28Å; L318-S414 WeakPolarHBondContact CD1-O 3.43Å; L318-V416 HydrophobicContact CD1-CG2 4.17Å; L318-V416 HydrophobicContact CD2-CG2 3.74Å; L318-V416 HydrophobicContact CG-CG2 4.12Å
319	F	98.6	Very high	96.7	Very high	18 Å²	18	42.1 Å²	42.1	8%	0.079	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	131.6	172.1	-85	-104.4	0	0	0	110.5	F321 E349 V351 K407 T413 S414 V415 V416	F319-F321 HydrophobicContact CB-CD2 4.36Å; F319-F321 HydrophobicContact CB-CE2 3.8Å; F319-F321 HydrophobicContact CB-CZ 4.37Å; F319-F321 HydrophobicContact CD1-CZ 4.34Å; F319-E349 WeakPolarHBondContact CA-O 3.46Å; F319-E349 HydrophobicContact CD1-CB 4.11Å; F319-E349 HydrophobicContact CD1-CG 4.37Å; F319-E349 HydrophobicContact CE1-CB 3.95Å; F319-E349 HydrophobicContact CE1-CG 3.9Å; F319-E349 VanDerWaalsContact CE1-OE1 3.3Å; F319-E349 WeakPolarHBondContact CE1-OE1 3.3Å; F319-E349 HydrophobicContact CE2-CB 4.5Å; F319-E349 HydrophobicContact CG-CB 4.45Å; F319-E349 HydrophobicContact CZ-CB 4.15Å; F319-E349 VanDerWaalsContact CZ-CD 3.49Å; F319-E349 HydrophobicContact CZ-CG 4.28Å; F319-E349 WeakPolarHBondContact CZ-OE2 3.25Å; F319-V351 HydrophobicContact CD1-CG2 4.24Å; F319-K407 HydrophobicContact CB-CG 4.12Å; F319-K407 HydrophobicContact CD1-CD 4.39Å; F319-K407 HydrophobicContact CD1-CG 4.46Å; F319-K407 HydrophobicContact CD2-CD 3.64Å; F319-K407 HydrophobicContact CD2-CG 3.91Å; F319-K407 HydrophobicContact CE1-CD 4.46Å; F319-K407 HydrophobicContact CE2-CD 3.72Å; F319-K407 HydrophobicContact CE2-CG 4.49Å; F319-K407 HydrophobicContact CG-CD 3.99Å; F319-K407 HydrophobicContact CG-CG 3.89Å; F319-K407 HydrophobicContact CZ-CD 4.16Å; F319-T413 HydrophobicContact CD2-CG2 3.68Å; F319-T413 HydrophobicContact CE2-CG2 4.28Å; F319-S414 PolarHBondContact N-O 2.65Å; F319-V415 HydrophobicContact CB-CG1 4.16Å; F319-V415 CarbonylContact O-C 3.49Å; F319-V415 WeakPolarHBondContact O-CA 3.34Å; F319-V416 PolarHBondContact O-N 3.21Å
320	I	98.9	Very high	96.7	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	116.5	174.5	-54.4	179.8	0	0	0	107.7	L305 E340 A348 E349 L350 V351 V416 H418	L305-I320 HydrophobicContact CD1-CD1 3.72Å; I320-E340 HydrophobicContact CD1-CB 3.69Å; I320-E340 HydrophobicContact CD1-CG 3.65Å; I320-A348 HydrophobicContact CD1-CB 3.72Å; I320-A348 HydrophobicContact CG1-CB 4.11Å; I320-E349 PolarHBondContact N-O 3.07Å; I320-L350 HydrophobicContact CB-CD1 3.85Å; I320-L350 HydrophobicContact CG2-CD1 3.6Å; I320-L350 CarbonylContact O-C 3.52Å; I320-L350 WeakPolarHBondContact O-CA 3.45Å; I320-V351 PolarHBondContact O-N 3.47Å; I320-V416 CarbonylContact C-O 3.2Å; I320-V416 WeakPolarHBondContact CA-O 3.43Å; I320-V416 HydrophobicContact CG1-CB 4.23Å; I320-V416 HydrophobicContact CG1-CG2 4.49Å; I320-V416 HydrophobicContact CG2-CB 4.4Å; I320-H418 VanDerWaalsContact CG2-CD2 3.5Å; I320-H418 WeakPolarHBondContact CG2-CD2 3.38Å; I320-H418 WeakPolarHBondContact CG2-NE2 3.49Å
321	F	98.9	Very high	96.7	Very high	3 Å²	3	41.4 Å²	41.4	1%	0.013	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	103	175.7	-70	-80.7	0	0	0	109.5	F319 V351 L353 R403 I404 K407 V415 V416 H418	F319-F321 HydrophobicContact CB-CD2 4.36Å; F319-F321 HydrophobicContact CB-CE2 3.8Å; F319-F321 HydrophobicContact CB-CZ 4.37Å; F319-F321 HydrophobicContact CD1-CZ 4.34Å; F321-V351 HydrophobicContact CD1-CB 3.83Å; F321-V351 HydrophobicContact CD1-CG1 3.89Å; F321-V351 HydrophobicContact CE1-CB 4.02Å; F321-V351 HydrophobicContact CE1-CG1 3.96Å; F321-V351 HydrophobicContact CE1-CG2 4.28Å; F321-L353 HydrophobicContact CB-CD1 4.07Å; F321-L353 HydrophobicContact CD1-CD1 4.32Å; F321-L353 HydrophobicContact CD1-CD2 3.85Å; F321-L353 HydrophobicContact CD1-CG 4.28Å; F321-L353 HydrophobicContact CE1-CD2 4.43Å; F321-R403 HydrophobicContact CE1-CB 3.97Å; F321-R403 HydrophobicContact CZ-CB 4.35Å; F321-I404 HydrophobicContact CB-CD1 4.33Å; F321-I404 HydrophobicContact CB-CG1 4.17Å; F321-I404 HydrophobicContact CD1-CG1 4.28Å; F321-I404 HydrophobicContact CD2-CG1 3.59Å; F321-I404 HydrophobicContact CE2-CG1 3.96Å; F321-I404 HydrophobicContact CG-CD1 4.43Å; F321-I404 HydrophobicContact CG-CG1 3.75Å; F321-I404 HydrophobicContact CZ-CG1 4.43Å; F321-K407 HydrophobicContact CE2-CB 4.3Å; F321-K407 HydrophobicContact CE2-CG 4.44Å; F321-K407 HydrophobicContact CZ-CB 4.27Å; F321-V415 HydrophobicContact CD2-CB 4.06Å; F321-V415 HydrophobicContact CD2-CG1 4.22Å; F321-V415 HydrophobicContact CE2-CB 4.12Å; F321-V415 HydrophobicContact CE2-CG1 3.75Å; F321-V416 PolarHBondContact N-O 3.2Å; F321-H418 PolarHBondContact O-N 3.28Å
322	D	98.9	Very high	96.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	116.6	168.5	-171.7	-24	0	0	0	108.9	R324 L350 V351 F352 L353 H418	D322-R324 PolarHBondContact O-N 2.79Å; D322-R324 VanDerWaalsContact OD1-CB 3.25Å; D322-R324 WeakPolarHBondContact OD1-CB 3.47Å; D322-R324 WeakPolarHBondContact OD1-CG 3.43Å; D322-R324 IonicContact OD1-CZ 3.58Å; D322-R324 PolarHBondContact OD1-N 2.62Å; D322-R324 IonicContact OD1-NE 3.64Å; D322-R324 PolarHBondContact OD1-NE 3.17Å; D322-R324 IonicContact OD1-NH2 3.75Å; D322-R324 IonicContact OD2-CZ 2.78Å; D322-R324 VanDerWaalsContact OD2-CZ 3.24Å; D322-R324 IonicContact OD2-NE 3.33Å; D322-R324 PolarHBondContact OD2-NE 3.35Å; D322-R324 IonicContact OD2-NH2 2.76Å; D322-R324 PolarHBondContact OD2-NH2 2.98Å; D322-L350 HydrophobicContact CB-CD1 4.07Å; D322-V351 PolarHBondContact N-O 3.02Å; D322-F352 HydrophobicContact CB-CD1 3.76Å; D322-F352 HydrophobicContact CB-CE1 3.87Å; D322-F352 CarbonylContact O-C 3.54Å; D322-F352 WeakPolarHBondContact O-CA 3.34Å; D322-L353 PolarHBondContact O-N 3.15Å; D322-H418 IonicContact OD2-CE1 2.67Å; D322-H418 PolarHBondContact OD2-CE1 3.19Å
323	A	98.9	Very high	96.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.26	C	S	.	.			trans	-60.1	-21.9	-178.4	0	0	0	0	0	113.5	I355 H418 C419 R425 L429	A323-I355 HydrophobicContact CB-CD1 4.46Å; A323-I355 WeakPolarHBondContact O-CA 3.49Å; A323-I355 WeakPolarHBondContact O-CB 3.45Å; A323-I355 PolarHBondContact O-N 2.79Å; A323-H418 PolarHBondContact N-O 2.68Å; A323-C419 HydrophobicContact CB-CB 3.77Å; A323-R425 HydrophobicContact CB-CB 3.57Å; A323-R425 HydrophobicContact CB-CG 4.38Å; A323-L429 HydrophobicContact CB-CD1 3.56Å
324	R	98.8	Very high	97	Very high	1 Å²	1	47.7 Å²	47.7	0%	0.004	26%	0.256	C	S	.	.	S	Bend	trans	-78.3	157.7	-169.7	-60.8	175	-67.3	-176.3	5.2	111.9	D322 N328 N332 G338 F352 D354 C419 S420	D322-R324 PolarHBondContact O-N 2.79Å; D322-R324 VanDerWaalsContact OD1-CB 3.25Å; D322-R324 WeakPolarHBondContact OD1-CB 3.47Å; D322-R324 WeakPolarHBondContact OD1-CG 3.43Å; D322-R324 IonicContact OD1-CZ 3.58Å; D322-R324 PolarHBondContact OD1-N 2.62Å; D322-R324 IonicContact OD1-NE 3.64Å; D322-R324 PolarHBondContact OD1-NE 3.17Å; D322-R324 IonicContact OD1-NH2 3.75Å; D322-R324 IonicContact OD2-CZ 2.78Å; D322-R324 VanDerWaalsContact OD2-CZ 3.24Å; D322-R324 IonicContact OD2-NE 3.33Å; D322-R324 PolarHBondContact OD2-NE 3.35Å; D322-R324 IonicContact OD2-NH2 2.76Å; D322-R324 PolarHBondContact OD2-NH2 2.98Å; R324-N328 HydrophobicContact CB-CB 4.32Å; R324-N332 VanDerWaalsContact NH1-CB 3.29Å; R324-N332 VanDerWaalsContact NH1-CG 3.26Å; R324-N332 PolarHBondContact NH1-ND2 2.89Å; R324-G338 PolarHBondContact NH2-O 2.99Å; R324-F352 WeakPolarHBondContact O-CB 3.25Å; R324-F352 WeakPolarHBondContact O-CD1 3.39Å; R324-D354 PolarHBondContact O-N 2.72Å; R324-C419 HydrophobicContact CG-CB 4.37Å; R324-S420 WeakPolarHBondContact CD-OG 3.26Å; R324-S420 PolarHBondContact NH1-OG 3.48Å
325	P	98.6	Very high	97.3	Very high	8 Å²	8	50.1 Å²	50.1	5%	0.052	26%	0.264	C	S	.	.			trans	-59.8	144.2	155.5	-19.1	29.4	0	0	0	111.1	V327 N328 A329 D354 I355	P325-V327 HydrophobicContact CB-CG2 4.01Å; P325-V327 PolarHBondContact O-N 3.4Å; P325-N328 HydrophobicContact CB-CB 4.48Å; P325-N328 WeakPolarHBondContact O-CA 3.44Å; P325-N328 WeakPolarHBondContact O-CB 3.42Å; P325-N328 PolarHBondContact O-N 2.78Å; P325-A329 PolarHBondContact O-N 3.45Å; P325-D354 VanDerWaalsContact CA-OD1 3.3Å; P325-D354 WeakPolarHBondContact CA-OD1 3.07Å; P325-I355 WeakPolarHBondContact CD-O 3.48Å
326	S	98.1	Very high	97.5	Very high	58 Å²	58	51 Å²	51	41%	0.406	28%	0.276	S	S	.	.	H	α-helix	trans	-54.1	-40.7	-179.9	62.5	0	0	0	0	112.4	N328 A329 A330	S326-N328 VanDerWaalsContact C-N 3.31Å; S326-N328 PolarHBondContact O-N 2.78Å; S326-A329 WeakPolarHBondContact O-CB 3.21Å; S326-A329 PolarHBondContact O-N 3.46Å; S326-A330 WeakPolarHBondContact O-CB 3.44Å; S326-A330 PolarHBondContact O-N 3.35Å
327	V	98	Very high	97.8	Very high	102 Å²	102	43.3 Å²	43.3	62%	0.618	24%	0.242	S	C	*	.	H	α-helix	trans	-61.2	-36.8	176	-66.1	0	0	0	0	112.7	P325 A331	P325-V327 HydrophobicContact CB-CG2 4.01Å; P325-V327 PolarHBondContact O-N 3.4Å; V327-A331 WeakPolarHBondContact O-CB 3.45Å; V327-A331 PolarHBondContact O-N 3.41Å
328	N	98.3	Very high	97.9	Very high	41 Å²	41	38 Å²	38	22%	0.219	22%	0.219	C	C	.	.	H	α-helix	trans	-74.3	-36.4	177.5	-71.5	27	0	0	0	110.8	R324 P325 S326 A331 N332	R324-N328 HydrophobicContact CB-CB 4.32Å; P325-N328 HydrophobicContact CB-CB 4.48Å; P325-N328 WeakPolarHBondContact O-CA 3.44Å; P325-N328 WeakPolarHBondContact O-CB 3.42Å; P325-N328 PolarHBondContact O-N 2.78Å; S326-N328 VanDerWaalsContact C-N 3.31Å; S326-N328 PolarHBondContact O-N 2.78Å; N328-A331 PolarHBondContact O-N 3Å; N328-N332 PolarHBondContact O-N 3.28Å; N328-N332 PolarHBondContact O-ND2 2.86Å
329	A	97.8	Very high	97.9	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64.4	-43.6	173.9	0	0	0	0	0	111.3	P325 S326 A331 N332 K333 Y339 F352	P325-A329 PolarHBondContact O-N 3.45Å; S326-A329 WeakPolarHBondContact O-CB 3.21Å; S326-A329 PolarHBondContact O-N 3.46Å; A329-A331 PolarHBondContact O-N 3.06Å; A329-N332 WeakPolarHBondContact O-CB 3.47Å; A329-N332 PolarHBondContact O-N 3.45Å; A329-N332 VanDerWaalsContact O-N 3.16Å; A329-K333 PolarHBondContact O-N 2.97Å; A329-Y339 HydrophobicContact CB-CD1 3.88Å; A329-Y339 HydrophobicContact CB-CE1 4.47Å; A329-F352 HydrophobicContact CB-CD1 4.17Å; A329-F352 HydrophobicContact CB-CE1 3.35Å; A329-F352 HydrophobicContact CB-CZ 3.95Å
330	A	97.6	Very high	97.9	Very high	44 Å²	44	40.3 Å²	40.3	36%	0.364	23%	0.227	S	C	.	.	H	α-helix	trans	-60.3	-44	172.7	0	0	0	0	0	112.1	S326 N332 K333 M334	S326-A330 WeakPolarHBondContact O-CB 3.44Å; S326-A330 PolarHBondContact O-N 3.35Å; A330-N332 VanDerWaalsContact C-N 3.28Å; A330-N332 PolarHBondContact O-N 3.14Å; A330-K333 VanDerWaalsContact O-CB 3.28Å; A330-K333 WeakPolarHBondContact O-CB 3.37Å; A330-K333 PolarHBondContact O-N 3.5Å; A330-K333 VanDerWaalsContact O-N 3.1Å; A330-M334 PolarHBondContact O-N 2.99Å; A330-M334 VanDerWaalsContact O-N 3.15Å
331	A	97.6	Very high	97.7	Very high	50 Å²	50	42.4 Å²	42.4	41%	0.413	24%	0.242	S	C	.	.	H	α-helix	trans	-62.5	-33.5	175.1	0	0	0	0	0	112.9	V327 N328 A329 M334 K335	V327-A331 WeakPolarHBondContact O-CB 3.45Å; V327-A331 PolarHBondContact O-N 3.41Å; N328-A331 PolarHBondContact O-N 3Å; A329-A331 PolarHBondContact O-N 3.06Å; A331-M334 PolarHBondContact O-N 3.25Å; A331-K335 PolarHBondContact O-N 2.94Å
332	N	97.6	Very high	97.3	Very high	38 Å²	38	49.7 Å²	49.7	20%	0.203	28%	0.276	C	S	.	.	H	α-helix	trans	-70.9	-35.7	173.1	-82.6	-99.4	0	0	0	112.1	Q288 R324 N328 A329 A330 M334 K335 G336 G337 S420	Q288-N332 PolarHBondContact NE2-OD1 2.68Å; Q288-N332 VanDerWaalsContact OE1-CB 3.26Å; R324-N332 VanDerWaalsContact NH1-CB 3.29Å; R324-N332 VanDerWaalsContact NH1-CG 3.26Å; R324-N332 PolarHBondContact NH1-ND2 2.89Å; N328-N332 PolarHBondContact O-N 3.28Å; N328-N332 PolarHBondContact O-ND2 2.86Å; A329-N332 WeakPolarHBondContact O-CB 3.47Å; A329-N332 PolarHBondContact O-N 3.45Å; A329-N332 VanDerWaalsContact O-N 3.16Å; A330-N332 VanDerWaalsContact C-N 3.28Å; A330-N332 PolarHBondContact O-N 3.14Å; N332-M334 PolarHBondContact O-N 3.1Å; N332-K335 CarbonylContact O-C 3.54Å; N332-K335 WeakPolarHBondContact O-CA 3.32Å; N332-K335 PolarHBondContact O-N 2.94Å; N332-G336 PolarHBondContact O-N 3.29Å; N332-G337 WeakPolarHBondContact O-CA 3.49Å; N332-G337 PolarHBondContact O-N 2.87Å; N332-S420 PolarHBondContact ND2-OG 2.98Å; N332-S420 PolarHBondContact OD1-OG 3.09Å; N332-S420 VanDerWaalsContact OD1-OG 3.05Å
333	K	97.4	Very high	97	Very high	64 Å²	64	56 Å²	56	28%	0.278	31%	0.31	S	S	.	.	H	α-helix	trans	-55.8	-41.4	172.2	-168.4	178.1	179.8	178.2	0	111.4	G292 V293 A329 A330 K335 G336 G337 Y339	G292-K333 CarbonylContact C-O 3.56Å; G292-K333 VanDerWaalsContact C-O 3.31Å; G292-K333 VanDerWaalsContact CA-O 3.28Å; G292-K333 WeakPolarHBondContact CA-O 3.38Å; G292-K333 WeakPolarHBondContact O-CE 3.4Å; G292-K333 WeakPolarHBondContact O-CG 3.5Å; V293-K333 PolarHBondContact N-O 3.03Å; A329-K333 PolarHBondContact O-N 2.97Å; A330-K333 VanDerWaalsContact O-CB 3.28Å; A330-K333 WeakPolarHBondContact O-CB 3.37Å; A330-K333 PolarHBondContact O-N 3.5Å; A330-K333 VanDerWaalsContact O-N 3.1Å; K333-K335 PolarHBondContact O-N 2.94Å; K333-G336 PolarHBondContact O-N 3.12Å; K333-G337 WeakPolarHBondContact CA-O 3.44Å; K333-Y339 HydrophobicContact CD-CE1 4.5Å
334	M	96.8	Very high	96.8	Very high	139 Å²	139	56.4 Å²	56.4	69%	0.685	31%	0.314	S	S	*	.	H	α-helix	trans	-63.2	-24.2	174.6	-60.2	-56.7	-67.6	0	0	113.8	V293 A330 A331 N332	V293-M334 HydrophobicContact CG1-CB 4.5Å; V293-M334 HydrophobicContact CG1-CE 3.89Å; V293-M334 HydrophobicContact CG1-SD 3.69Å; A330-M334 PolarHBondContact O-N 2.99Å; A330-M334 VanDerWaalsContact O-N 3.15Å; A331-M334 PolarHBondContact O-N 3.25Å; N332-M334 PolarHBondContact O-N 3.1Å
335	K	96.1	Very high	96.7	Very high	185 Å²	185	57.1 Å²	57.1	80%	0.804	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	12.6	179.8	-64.2	-178	-179.2	-175.4	0	113.7	A331 N332 K333	A331-K335 PolarHBondContact O-N 2.94Å; N332-K335 CarbonylContact O-C 3.54Å; N332-K335 WeakPolarHBondContact O-CA 3.32Å; N332-K335 PolarHBondContact O-N 2.94Å; K333-K335 PolarHBondContact O-N 2.94Å
336	G	95.6	Very high	96.5	Very high	36 Å²	36	64.5 Å²	64.5	37%	0.371	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.2	-6.1	179.5	0	0	0	0	0	115.3	T290 N332 K333	T290-G336 CarbonylContact C-O 3.56Å; T290-G336 VanDerWaalsContact CA-O 3.24Å; T290-G336 WeakPolarHBondContact CA-O 3.4Å; N332-G336 PolarHBondContact O-N 3.29Å; K333-G336 PolarHBondContact O-N 3.12Å
337	G	97.4	Very high	96.3	Very high	6 Å²	6	65.2 Å²	65.2	6%	0.062	35%	0.349	C	S	.	.			trans	-83.4	-145.3	168.1	0	0	0	0	0	111.6	P289 V291 G292 N332 K333	P289-G337 CarbonylContact O-C 3.55Å; P289-G337 WeakPolarHBondContact O-CA 3.33Å; V291-G337 PolarHBondContact N-O 3.05Å; G292-G337 PolarHBondContact N-O 3.38Å; N332-G337 WeakPolarHBondContact O-CA 3.49Å; N332-G337 PolarHBondContact O-N 2.87Å; K333-G337 WeakPolarHBondContact CA-O 3.44Å
338	G	97.3	Very high	96.3	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	33%	0.327	C	S	.	.			trans	150.4	-155.2	175.4	0	0	0	0	0	113.5	Q288 P289 R324	Q288-G338 VanDerWaalsContact OE1-N 3.08Å; P289-G338 PolarHBondContact O-N 3.32Å; P289-G338 VanDerWaalsContact O-N 3.09Å; R324-G338 PolarHBondContact NH2-O 2.99Å
339	Y	98.4	Very high	96.3	Very high	66 Å²	66	63 Å²	63	26%	0.259	33%	0.334	S	S	.	.			trans	-151.8	160.2	178.6	57.9	-93.3	0	0	0	108.8	A329 K333 S341 L350 F352	A329-Y339 HydrophobicContact CB-CD1 3.88Å; A329-Y339 HydrophobicContact CB-CE1 4.47Å; K333-Y339 HydrophobicContact CD-CE1 4.5Å; Y339-S341 PolarHBondContact O-N 3.42Å; Y339-L350 HydrophobicContact CD2-CD2 3.32Å; Y339-L350 HydrophobicContact CE2-CD2 4.13Å; Y339-L350 HydrophobicContact CG-CD2 3.88Å; Y339-F352 HydrophobicContact CD1-CZ 4.08Å; Y339-F352 HydrophobicContact CD2-CZ 4.14Å; Y339-F352 HydrophobicContact CE1-CZ 4.37Å; Y339-F352 HydrophobicContact CE2-CZ 4.4Å; Y339-F352 HydrophobicContact CG-CE1 4.5Å; Y339-F352 AromaticContact CG-CZ 3.96Å; Y339-F352 HydrophobicContact CG-CZ 3.96Å
340	E	98.4	Very high	96.3	Very high	4 Å²	4	64.9 Å²	64.9	2%	0.019	34%	0.344	C	S	.	.			trans	-69	114	-178.4	-68.4	88.6	160.1	0	0	110.6	R264 P289 L305 I320 Y345 L350 H418	R264-E340 IonicContact CZ-OE1 3.49Å; R264-E340 IonicContact NH1-OE1 2.71Å; R264-E340 PolarHBondContact NH1-OE1 3.12Å; R264-E340 IonicContact NH2-OE1 3.91Å; R264-E340 PolarHBondContact NH2-OE1 3.01Å; P289-E340 HydrophobicContact CG-CG 4.3Å; L305-E340 HydrophobicContact CD1-CG 4.31Å; I320-E340 HydrophobicContact CD1-CB 3.69Å; I320-E340 HydrophobicContact CD1-CG 3.65Å; E340-Y345 HydrophobicContact CB-CD2 3.43Å; E340-Y345 VanDerWaalsContact CB-CD2 3.43Å; E340-Y345 HydrophobicContact CB-CE2 3.6Å; E340-Y345 HydrophobicContact CB-CG 3.94Å; E340-Y345 HydrophobicContact CG-CD1 4.26Å; E340-Y345 HydrophobicContact CG-CD2 3.78Å; E340-Y345 HydrophobicContact CG-CE1 3.98Å; E340-Y345 HydrophobicContact CG-CE2 3.5Å; E340-Y345 HydrophobicContact CG-CG 4.15Å; E340-L350 WeakPolarHBondContact O-CD2 3.37Å; E340-H418 IonicContact OE1-NE2 3.6Å; E340-H418 IonicContact OE2-CE1 2.96Å; E340-H418 IonicContact OE2-NE2 2.92Å; E340-H418 PolarHBondContact OE2-NE2 3.24Å; E340-H418 VanDerWaalsContact OE2-NE2 3.14Å
341	S	95.4	Very high	96.4	Very high	45 Å²	45	63.4 Å²	63.4	32%	0.315	33%	0.33	S	S	.	.			trans	-83.8	146.1	177.3	55.5	0	0	0	0	112	Y339 D343 A344 Y345	Y339-S341 PolarHBondContact O-N 3.42Å; S341-D343 VanDerWaalsContact C-N 3.26Å; S341-D343 PolarHBondContact O-N 2.9Å; S341-A344 PolarHBondContact O-N 3.27Å; S341-A344 WeakPolarHBondContact OG-CB 3.26Å; S341-Y345 PolarHBondContact O-N 3.37Å
342	E	91.2	Very high	96.5	Very high	156 Å²	156	63.4 Å²	63.4	73%	0.729	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-39.4	178.8	-63.1	178.8	-179.8	0	0	113	A344 Y345 Q346	E342-A344 VanDerWaalsContact C-N 3.29Å; E342-A344 PolarHBondContact O-N 2.92Å; E342-Y345 CarbonylContact O-C 3.45Å; E342-Y345 PolarHBondContact O-N 2.98Å; E342-Q346 WeakPolarHBondContact O-CA 3.18Å; E342-Q346 PolarHBondContact O-N 3.08Å
343	D	91.9	Very high	96.5	Very high	133 Å²	133	62 Å²	62	71%	0.711	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-30.7	178	-64.3	-34.8	0	0	0	113.9	S341	S341-D343 VanDerWaalsContact C-N 3.26Å; S341-D343 PolarHBondContact O-N 2.9Å
344	A	94.9	Very high	96.6	Very high	9 Å²	9	62.6 Å²	62.6	7%	0.074	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-34.6	-177.8	0	0	0	0	0	111.6	R297 S341 E342	R297-A344 HydrophobicContact CG-CB 4.18Å; S341-A344 PolarHBondContact O-N 3.27Å; S341-A344 WeakPolarHBondContact OG-CB 3.26Å; E342-A344 VanDerWaalsContact C-N 3.29Å; E342-A344 PolarHBondContact O-N 2.92Å
345	Y	97.1	Very high	96.7	Very high	16 Å²	16	56 Å²	56	6%	0.063	29%	0.288	C	S	.	.	S	Bend	trans	-121.3	70.9	-176.4	-58.5	-94.5	0	0	0	109.7	D301 E302 L305 E340 S341 E342 N347 A348	D301-Y345 WeakPolarHBondContact OD1-CE1 3.18Å; D301-Y345 PolarHBondContact OD1-OH 2.93Å; E302-Y345 HydrophobicContact CB-CE1 4.38Å; E302-Y345 HydrophobicContact CG-CD1 4.13Å; E302-Y345 HydrophobicContact CG-CE1 3.8Å; E302-Y345 HydrophobicContact CG-CE2 4.47Å; L305-Y345 HydrophobicContact CB-CD1 4.39Å; L305-Y345 HydrophobicContact CD1-CD1 3.68Å; L305-Y345 HydrophobicContact CD1-CE1 3.6Å; L305-Y345 HydrophobicContact CG-CD1 4.36Å; L305-Y345 HydrophobicContact CG-CE1 4.13Å; E340-Y345 HydrophobicContact CB-CD2 3.43Å; E340-Y345 VanDerWaalsContact CB-CD2 3.43Å; E340-Y345 HydrophobicContact CB-CE2 3.6Å; E340-Y345 HydrophobicContact CB-CG 3.94Å; E340-Y345 HydrophobicContact CG-CD1 4.26Å; E340-Y345 HydrophobicContact CG-CD2 3.78Å; E340-Y345 HydrophobicContact CG-CE1 3.98Å; E340-Y345 HydrophobicContact CG-CE2 3.5Å; E340-Y345 HydrophobicContact CG-CG 4.15Å; S341-Y345 PolarHBondContact O-N 3.37Å; E342-Y345 CarbonylContact O-C 3.45Å; E342-Y345 PolarHBondContact O-N 2.98Å; Y345-N347 PolarHBondContact O-N 3.37Å; Y345-N347 VanDerWaalsContact O-N 3.14Å; Y345-A348 WeakPolarHBondContact O-CB 3.04Å; Y345-A348 PolarHBondContact O-N 3.14Å
346	Q	92.8	Very high	96.8	Very high	163 Å²	163	50.5 Å²	50.5	76%	0.762	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-30.9	-168	-64.6	176.9	-2.8	0	0	114.5	E342	E342-Q346 WeakPolarHBondContact O-CA 3.18Å; E342-Q346 PolarHBondContact O-N 3.08Å
347	N	95.5	Very high	96.9	Very high	72 Å²	72	51.1 Å²	51.1	39%	0.385	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	9.1	179.5	-59.4	-40.1	0	0	0	113	Q306 M309 K317 L318 Y345	Q306-N347 PolarHBondContact OE1-ND2 2.9Å; M309-N347 HydrophobicContact CE-CB 3.59Å; M309-N347 HydrophobicContact SD-CB 3.62Å; K317-N347 WeakPolarHBondContact CA-O 3.42Å; L318-N347 PolarHBondContact N-O 2.99Å; Y345-N347 PolarHBondContact O-N 3.37Å; Y345-N347 VanDerWaalsContact O-N 3.14Å
348	A	97.6	Very high	97	Very high	18 Å²	18	51.8 Å²	51.8	15%	0.149	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	136.6	-178.9	0	0	0	0	0	112	L318 I320 Y345	L318-A348 HydrophobicContact CB-CB 4.43Å; L318-A348 CarbonylContact O-C 3.57Å; L318-A348 WeakPolarHBondContact O-CA 3.36Å; I320-A348 HydrophobicContact CD1-CB 3.72Å; I320-A348 HydrophobicContact CG1-CB 4.11Å; Y345-A348 WeakPolarHBondContact O-CB 3.04Å; Y345-A348 PolarHBondContact O-N 3.14Å
349	E	98.1	Very high	97	Very high	80 Å²	80	55.7 Å²	55.7	37%	0.374	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	115	174.1	-168.8	173.1	140.6	0	0	109.6	K317 L318 F319 I320	K317-E349 IonicContact NZ-OE2 3.88Å; L318-E349 PolarHBondContact O-N 3.28Å; F319-E349 WeakPolarHBondContact CA-O 3.46Å; F319-E349 HydrophobicContact CD1-CB 4.11Å; F319-E349 HydrophobicContact CD1-CG 4.37Å; F319-E349 HydrophobicContact CE1-CB 3.95Å; F319-E349 HydrophobicContact CE1-CG 3.9Å; F319-E349 VanDerWaalsContact CE1-OE1 3.3Å; F319-E349 WeakPolarHBondContact CE1-OE1 3.3Å; F319-E349 HydrophobicContact CE2-CB 4.5Å; F319-E349 HydrophobicContact CG-CB 4.45Å; F319-E349 HydrophobicContact CZ-CB 4.15Å; F319-E349 VanDerWaalsContact CZ-CD 3.49Å; F319-E349 HydrophobicContact CZ-CG 4.28Å; F319-E349 WeakPolarHBondContact CZ-OE2 3.25Å; I320-E349 PolarHBondContact N-O 3.07Å
350	L	98.5	Very high	97.1	Very high	38 Å²	38	55 Å²	55	20%	0.199	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	132.3	-179.2	-179.7	69.5	0	0	0	111.4	I320 D322 Y339 E340 F352	I320-L350 HydrophobicContact CB-CD1 3.85Å; I320-L350 HydrophobicContact CG2-CD1 3.6Å; I320-L350 CarbonylContact O-C 3.52Å; I320-L350 WeakPolarHBondContact O-CA 3.45Å; D322-L350 HydrophobicContact CB-CD1 4.07Å; Y339-L350 HydrophobicContact CD2-CD2 3.32Å; Y339-L350 HydrophobicContact CE2-CD2 4.13Å; Y339-L350 HydrophobicContact CG-CD2 3.88Å; E340-L350 WeakPolarHBondContact O-CD2 3.37Å; L350-F352 HydrophobicContact CD2-CE1 4.31Å; L350-F352 HydrophobicContact CD2-CE2 4.04Å; L350-F352 HydrophobicContact CD2-CZ 3.68Å; L350-F352 HydrophobicContact CG-CZ 4.41Å
351	V	98.8	Very high	97.1	Very high	14 Å²	14	55 Å²	55	9%	0.085	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	125.5	179.4	176.7	0	0	0	0	110.1	F319 I320 F321 D322 L353	F319-V351 HydrophobicContact CD1-CG2 4.24Å; I320-V351 PolarHBondContact O-N 3.47Å; F321-V351 HydrophobicContact CD1-CB 3.83Å; F321-V351 HydrophobicContact CD1-CG1 3.89Å; F321-V351 HydrophobicContact CE1-CB 4.02Å; F321-V351 HydrophobicContact CE1-CG1 3.96Å; F321-V351 HydrophobicContact CE1-CG2 4.28Å; D322-V351 PolarHBondContact N-O 3.02Å; V351-L353 HydrophobicContact CG1-CD2 4.15Å
352	F	98.8	Very high	97.2	Very high	49 Å²	49	56.7 Å²	56.7	22%	0.215	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	137.5	169	-65	-69	0	0	0	111.1	D322 R324 A329 Y339 L350	D322-F352 HydrophobicContact CB-CD1 3.76Å; D322-F352 HydrophobicContact CB-CE1 3.87Å; D322-F352 CarbonylContact O-C 3.54Å; D322-F352 WeakPolarHBondContact O-CA 3.34Å; R324-F352 WeakPolarHBondContact O-CB 3.25Å; R324-F352 WeakPolarHBondContact O-CD1 3.39Å; A329-F352 HydrophobicContact CB-CD1 4.17Å; A329-F352 HydrophobicContact CB-CE1 3.35Å; A329-F352 HydrophobicContact CB-CZ 3.95Å; Y339-F352 HydrophobicContact CD1-CZ 4.08Å; Y339-F352 HydrophobicContact CD2-CZ 4.14Å; Y339-F352 HydrophobicContact CE1-CZ 4.37Å; Y339-F352 HydrophobicContact CE2-CZ 4.4Å; Y339-F352 HydrophobicContact CG-CE1 4.5Å; Y339-F352 AromaticContact CG-CZ 3.96Å; Y339-F352 HydrophobicContact CG-CZ 3.96Å; L350-F352 HydrophobicContact CD2-CE1 4.31Å; L350-F352 HydrophobicContact CD2-CE2 4.04Å; L350-F352 HydrophobicContact CD2-CZ 3.68Å; L350-F352 HydrophobicContact CG-CZ 4.41Å
353	L	98.8	Very high	97.6	Very high	10 Å²	10	52.7 Å²	52.7	5%	0.052	26%	0.263	C	S	.	.			trans	-106.6	-0.3	-177.2	-61	178.3	0	0	0	114.2	F321 D322 V351 I355 L429	F321-L353 HydrophobicContact CB-CD1 4.07Å; F321-L353 HydrophobicContact CD1-CD1 4.32Å; F321-L353 HydrophobicContact CD1-CD2 3.85Å; F321-L353 HydrophobicContact CD1-CG 4.28Å; F321-L353 HydrophobicContact CE1-CD2 4.43Å; D322-L353 PolarHBondContact O-N 3.15Å; V351-L353 HydrophobicContact CG1-CD2 4.15Å; L353-I355 HydrophobicContact CB-CD1 4.29Å; L353-I355 HydrophobicContact CB-CG1 4.27Å; L353-I355 PolarHBondContact O-N 3.14Å; L353-I355 VanDerWaalsContact O-N 3.14Å; L353-L429 HydrophobicContact CD1-CD1 3.55Å; L353-L429 HydrophobicContact CD1-CD2 3.91Å; L353-L429 HydrophobicContact CD1-CG 4.4Å
354	D	98.7	Very high	97.9	Very high	76 Å²	76	46.6 Å²	46.6	41%	0.406	23%	0.23	S	C	.	.			trans	59.7	23.6	174.3	-58.7	-45.8	0	0	0	115.9	R324 P325 H356	R324-D354 PolarHBondContact O-N 2.72Å; P325-D354 VanDerWaalsContact CA-OD1 3.3Å; P325-D354 WeakPolarHBondContact CA-OD1 3.07Å; D354-H356 PolarHBondContact O-N 3.37Å; D354-H356 PolarHBondContact O-ND1 2.73Å
355	I	98.8	Very high	98.1	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	23%	0.233	C	C	.	.			trans	-83.8	113.2	177.1	-50.3	170	0	0	0	110.4	A323 P325 L353 M361 L396 I397 R425 L429	A323-I355 HydrophobicContact CB-CD1 4.46Å; A323-I355 WeakPolarHBondContact O-CA 3.49Å; A323-I355 WeakPolarHBondContact O-CB 3.45Å; A323-I355 PolarHBondContact O-N 2.79Å; P325-I355 WeakPolarHBondContact CD-O 3.48Å; L353-I355 HydrophobicContact CB-CD1 4.29Å; L353-I355 HydrophobicContact CB-CG1 4.27Å; L353-I355 PolarHBondContact O-N 3.14Å; L353-I355 VanDerWaalsContact O-N 3.14Å; I355-M361 HydrophobicContact CG2-CE 3.66Å; I355-L396 HydrophobicContact CG1-CB 4.28Å; I355-I397 HydrophobicContact CD1-CG1 4.14Å; I355-I397 HydrophobicContact CG1-CG1 4.46Å; I355-I397 HydrophobicContact CG2-CG1 3.87Å; I355-R425 HydrophobicContact CB-CG 4.32Å; I355-R425 HydrophobicContact CG2-CG 3.73Å; I355-R425 VanDerWaalsContact O-CD 3.29Å; I355-R425 WeakPolarHBondContact O-CD 3.4Å; I355-R425 PolarHBondContact O-NH1 3.07Å; I355-L429 HydrophobicContact CD1-CD1 4.17Å; I355-L429 HydrophobicContact CD1-CD2 3.81Å; I355-L429 HydrophobicContact CD1-CG 4.16Å
356	H	98.7	Very high	98.2	Very high	68 Å²	68	51.9 Å²	51.9	32%	0.315	25%	0.25	S	C	.	.			trans	-64	166.7	-175.2	-71.1	75.5	0	0	0	113.6	D354 V360 M361 R425	D354-H356 PolarHBondContact O-N 3.37Å; D354-H356 PolarHBondContact O-ND1 2.73Å; H356-V360 HydrophobicContact CB-CB 3.71Å; H356-V360 HydrophobicContact CB-CG1 3.72Å; H356-V360 HydrophobicContact CB-CG2 3.99Å; H356-M361 HydrophobicContact CB-CE 3.94Å; H356-M361 WeakPolarHBondContact O-CE 3.45Å; H356-R425 WeakPolarHBondContact O-CD 3.37Å; H356-R425 PolarHBondContact O-NH1 2.61Å
357	N	98.6	Very high	98.5	Very high	50 Å²	50	47.7 Å²	47.7	27%	0.267	23%	0.229	S	C	.	.			trans	-78.4	174.3	-177.4	68.4	33	0	0	0	112.7	H359 V360 M361	N357-H359 PolarHBondContact O-N 3.17Å; N357-H359 VanDerWaalsContact O-N 3.12Å; N357-H359 WeakPolarHBondContact OD1-CB 3.43Å; N357-H359 PolarHBondContact OD1-N 3.1Å; N357-H359 VanDerWaalsContact OD1-N 3.07Å; N357-V360 PolarHBondContact O-N 2.74Å; N357-V360 PolarHBondContact OD1-N 2.65Å; N357-M361 WeakPolarHBondContact O-CG 3.15Å; N357-M361 PolarHBondContact O-N 2.66Å
358	I	98.6	Very high	98.6	Very high	19 Å²	19	44.3 Å²	44.3	10%	0.097	21%	0.211	C	C	.	.	H	α-helix	trans	-56.7	-28.9	-177	61.9	167	0	0	0	114.4	R362 S479 V481	I358-R362 WeakPolarHBondContact O-CB 3.34Å; I358-R362 PolarHBondContact O-N 2.94Å; I358-S479 WeakPolarHBondContact CA-OG 3.47Å; I358-S479 WeakPolarHBondContact CB-OG 3.47Å; I358-S479 WeakPolarHBondContact O-CB 3.17Å; I358-S479 PolarHBondContact O-OG 3.46Å; I358-V481 HydrophobicContact CG2-CG2 3.95Å
359	H	98.5	Very high	98.6	Very high	83 Å²	83	44.8 Å²	44.8	38%	0.384	21%	0.21	S	C	.	.	H	α-helix	trans	-74.6	-39.4	-178	-51.8	-49	0	0	0	111.4	N357 R362 E363 A476	N357-H359 PolarHBondContact O-N 3.17Å; N357-H359 VanDerWaalsContact O-N 3.12Å; N357-H359 WeakPolarHBondContact OD1-CB 3.43Å; N357-H359 PolarHBondContact OD1-N 3.1Å; N357-H359 VanDerWaalsContact OD1-N 3.07Å; H359-R362 PolarHBondContact ND1-NH2 3.44Å; H359-R362 PolarHBondContact O-N 3.12Å; H359-E363 PolarHBondContact O-N 2.79Å; H359-A476 PolarHBondContact CE1-O 3.43Å; H359-A476 PolarHBondContact ND1-O 3.41Å
360	V	98.8	Very high	98.6	Very high	51 Å²	51	45.4 Å²	45.4	31%	0.309	22%	0.216	S	C	.	.	H	α-helix	trans	-64.5	-43.5	174.7	178.8	0	0	0	0	110.3	H356 N357 R362 E363 S364	H356-V360 HydrophobicContact CB-CB 3.71Å; H356-V360 HydrophobicContact CB-CG1 3.72Å; H356-V360 HydrophobicContact CB-CG2 3.99Å; N357-V360 PolarHBondContact O-N 2.74Å; N357-V360 PolarHBondContact OD1-N 2.65Å; V360-R362 PolarHBondContact O-N 2.98Å; V360-E363 PolarHBondContact O-N 2.69Å; V360-S364 WeakPolarHBondContact O-CB 3.42Å; V360-S364 PolarHBondContact O-N 3.28Å
361	M	98.8	Very high	98.5	Very high	3 Å²	3	44.6 Å²	44.6	2%	0.015	21%	0.211	C	C	.	.	H	α-helix	trans	-65.1	-37.8	178.6	-55	-44.9	-175.9	0	0	112.6	I355 H356 N357 S364 L365 H393 P480 Q484	I355-M361 HydrophobicContact CG2-CE 3.66Å; H356-M361 HydrophobicContact CB-CE 3.94Å; H356-M361 WeakPolarHBondContact O-CE 3.45Å; N357-M361 WeakPolarHBondContact O-CG 3.15Å; N357-M361 PolarHBondContact O-N 2.66Å; M361-S364 PolarHBondContact O-N 2.75Å; M361-L365 PolarHBondContact O-N 3.19Å; M361-L365 VanDerWaalsContact O-N 3.1Å; M361-H393 HydrophobicContact CE-CB 4.2Å; M361-H393 HydrophobicContact SD-CB 3.9Å; M361-P480 HydrophobicContact CB-CG 4.42Å; M361-Q484 PolarHBondContact SD-NE2 3.38Å
362	R	98.6	Very high	98.3	Very high	81 Å²	81	44.1 Å²	44.1	31%	0.306	21%	0.209	S	C	.	.	H	α-helix	trans	-61.6	-46.6	173.4	174.8	178.4	57.8	-122.5	7.9	111.2	I358 H359 V360 S364 L365 R366 A476 R478	I358-R362 WeakPolarHBondContact O-CB 3.34Å; I358-R362 PolarHBondContact O-N 2.94Å; H359-R362 PolarHBondContact ND1-NH2 3.44Å; H359-R362 PolarHBondContact O-N 3.12Å; V360-R362 PolarHBondContact O-N 2.98Å; R362-S364 VanDerWaalsContact C-N 3.34Å; R362-L365 PolarHBondContact O-N 3.12Å; R362-R366 PolarHBondContact O-N 3.3Å; R362-A476 PolarHBondContact NH1-O 2.83Å; R362-R478 WeakPolarHBondContact CD-O 3.25Å; R362-R478 PolarHBondContact NH1-O 2.88Å
363	E	98.8	Very high	98.2	Very high	73 Å²	73	42.9 Å²	42.9	34%	0.341	20%	0.202	S	C	.	.	H	α-helix	trans	-65.3	-39.7	-179.5	177.9	54.8	-159.8	0	0	111.8	H359 V360 R366 K367	H359-E363 PolarHBondContact O-N 2.79Å; V360-E363 PolarHBondContact O-N 2.69Å; E363-R366 WeakPolarHBondContact O-CB 3.27Å; E363-R366 PolarHBondContact O-N 3.06Å; E363-R366 IonicContact OE1-CZ 3.31Å; E363-R366 IonicContact OE1-NE 2.81Å; E363-R366 PolarHBondContact OE1-NE 3.08Å; E363-R366 IonicContact OE1-NH2 2.74Å; E363-R366 PolarHBondContact OE1-NH2 2.99Å; E363-R366 IonicContact OE2-CZ 2.71Å; E363-R366 IonicContact OE2-NE 3.75Å; E363-R366 PolarHBondContact OE2-NE 2.92Å; E363-R366 IonicContact OE2-NH2 3.17Å; E363-K367 WeakPolarHBondContact O-CG 3.08Å; E363-K367 PolarHBondContact O-N 3.31Å; E363-K367 WeakPolarHBondContact OE1-CE 3.19Å
364	S	98.9	Very high	97.9	Very high	4 Å²	4	44.8 Å²	44.8	3%	0.028	22%	0.216	C	C	.	.	H	α-helix	trans	-59.2	-47.9	174.2	-178.3	0	0	0	0	112.1	V360 M361 R362 R366 K367 L368 T388 W390 H393	V360-S364 WeakPolarHBondContact O-CB 3.42Å; V360-S364 PolarHBondContact O-N 3.28Å; M361-S364 PolarHBondContact O-N 2.75Å; R362-S364 VanDerWaalsContact C-N 3.34Å; S364-R366 VanDerWaalsContact C-N 3.33Å; S364-R366 PolarHBondContact O-N 2.85Å; S364-K367 PolarHBondContact O-N 3.19Å; S364-L368 PolarHBondContact O-N 3.22Å; S364-T388 WeakPolarHBondContact CA-O 3.28Å; S364-T388 VanDerWaalsContact CB-O 3.32Å; S364-T388 WeakPolarHBondContact CB-O 3.41Å; S364-T388 PolarHBondContact OG-O 3Å; S364-W390 VanDerWaalsContact OG-CA 3.32Å; S364-W390 WeakPolarHBondContact OG-CA 3.41Å; S364-W390 PolarHBondContact OG-N 3.44Å; S364-H393 PolarHBondContact OG-CD2 2.97Å
365	L	98.8	Very high	97.5	Very high	25 Å²	25	46.4 Å²	46.4	13%	0.131	22%	0.224	C	C	.	.	H	α-helix	trans	-65.5	-35.7	176.5	-175.4	62	0	0	0	112.6	M159 M361 R362 L368 K369 W390 P480 Y582	M159-L365 HydrophobicContact CE-CD1 3.89Å; M159-L365 HydrophobicContact SD-CD1 3.78Å; M159-L365 HydrophobicContact SD-CG 4.4Å; M361-L365 PolarHBondContact O-N 3.19Å; M361-L365 VanDerWaalsContact O-N 3.1Å; R362-L365 PolarHBondContact O-N 3.12Å; L365-L368 HydrophobicContact CD1-CD2 4.21Å; L365-L368 PolarHBondContact O-N 3.38Å; L365-K369 WeakPolarHBondContact O-CB 3.18Å; L365-K369 PolarHBondContact O-N 3.41Å; L365-W390 HydrophobicContact CB-CE3 4.19Å; L365-W390 HydrophobicContact CB-CH2 4.31Å; L365-W390 HydrophobicContact CB-CZ3 3.65Å; L365-W390 HydrophobicContact CD1-CE3 4.42Å; L365-W390 HydrophobicContact CD1-CH2 4.07Å; L365-W390 HydrophobicContact CD1-CZ3 4.05Å; L365-W390 HydrophobicContact CG-CZ3 4.36Å; L365-P480 HydrophobicContact CB-CG 3.88Å; L365-P480 HydrophobicContact CD2-CB 3.43Å; L365-P480 VanDerWaalsContact CD2-CB 3.43Å; L365-P480 HydrophobicContact CD2-CG 3.71Å; L365-P480 HydrophobicContact CG-CG 4.42Å; L365-Y582 HydrophobicContact CD1-CE1 4.04Å
366	R	98.4	Very high	97.3	Very high	112 Å²	112	48.2 Å²	48.2	42%	0.423	23%	0.234	S	C	.	.	H	α-helix	trans	-59.8	-49.3	175.5	-172.7	-160.6	66.4	71.6	0.4	110.6	R362 E363 S364 L368 K369 D370	R362-R366 PolarHBondContact O-N 3.3Å; E363-R366 WeakPolarHBondContact O-CB 3.27Å; E363-R366 PolarHBondContact O-N 3.06Å; E363-R366 IonicContact OE1-CZ 3.31Å; E363-R366 IonicContact OE1-NE 2.81Å; E363-R366 PolarHBondContact OE1-NE 3.08Å; E363-R366 IonicContact OE1-NH2 2.74Å; E363-R366 PolarHBondContact OE1-NH2 2.99Å; E363-R366 IonicContact OE2-CZ 2.71Å; E363-R366 IonicContact OE2-NE 3.75Å; E363-R366 PolarHBondContact OE2-NE 2.92Å; E363-R366 IonicContact OE2-NH2 3.17Å; S364-R366 VanDerWaalsContact C-N 3.33Å; S364-R366 PolarHBondContact O-N 2.85Å; R366-L368 VanDerWaalsContact C-N 3.33Å; R366-L368 PolarHBondContact O-N 3.22Å; R366-K369 WeakPolarHBondContact O-CB 3.41Å; R366-K369 PolarHBondContact O-N 2.65Å; R366-D370 IonicContact CZ-OD2 2.84Å; R366-D370 IonicContact NH1-OD2 2.65Å; R366-D370 PolarHBondContact NH1-OD2 3.28Å; R366-D370 PolarHBondContact O-N 3Å
367	K	98.7	Very high	96.9	Very high	75 Å²	75	50.1 Å²	50.1	33%	0.326	24%	0.242	S	C	.	.	H	α-helix	trans	-60.6	-41.7	175.5	-69.2	178.1	176	-175.4	0	112	E363 S364 K369 D370 L371 S387 T388	E363-K367 WeakPolarHBondContact O-CG 3.08Å; E363-K367 PolarHBondContact O-N 3.31Å; E363-K367 WeakPolarHBondContact OE1-CE 3.19Å; S364-K367 PolarHBondContact O-N 3.19Å; K367-K369 VanDerWaalsContact C-N 3.34Å; K367-K369 PolarHBondContact O-N 3.01Å; K367-D370 PolarHBondContact O-N 3.33Å; K367-L371 WeakPolarHBondContact O-CB 3.25Å; K367-L371 PolarHBondContact O-N 2.72Å; K367-S387 PolarHBondContact NZ-O 2.88Å; K367-T388 HydrophobicContact CB-CG2 4.03Å
368	L	98.7	Very high	96.6	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-61.5	-42.8	176	-178.3	63.9	0	0	0	111.6	M159 S364 L365 R366 D370 L371 V372 L385 T388 W390 L577 Y582	M159-L368 HydrophobicContact CE-CD2 4.37Å; M159-L368 HydrophobicContact CE-CG 4.15Å; S364-L368 PolarHBondContact O-N 3.22Å; L365-L368 HydrophobicContact CD1-CD2 4.21Å; L365-L368 PolarHBondContact O-N 3.38Å; R366-L368 VanDerWaalsContact C-N 3.33Å; R366-L368 PolarHBondContact O-N 3.22Å; L368-D370 PolarHBondContact O-N 2.81Å; L368-L371 HydrophobicContact CD1-CD2 4.46Å; L368-L371 WeakPolarHBondContact O-CB 3.31Å; L368-L371 PolarHBondContact O-N 3.46Å; L368-V372 HydrophobicContact CD1-CG1 3.88Å; L368-V372 HydrophobicContact CG-CG1 4.42Å; L368-V372 WeakPolarHBondContact O-CG1 3.27Å; L368-V372 VanDerWaalsContact O-CG2 3.3Å; L368-V372 WeakPolarHBondContact O-CG2 3.43Å; L368-V372 PolarHBondContact O-N 3.4Å; L368-L385 HydrophobicContact CD1-CD1 3.91Å; L368-T388 HydrophobicContact CB-CG2 4.29Å; L368-T388 HydrophobicContact CD1-CG2 4.43Å; L368-W390 HydrophobicContact CD2-CB 4.17Å; L368-W390 HydrophobicContact CD2-CD2 3.89Å; L368-W390 HydrophobicContact CD2-CG 3.66Å; L368-L577 HydrophobicContact CD1-CD1 3.85Å; L368-L577 HydrophobicContact CD1-CD2 4.34Å; L368-L577 HydrophobicContact CD2-CD1 3.99Å; L368-Y582 HydrophobicContact CD2-CD1 4.01Å; L368-Y582 HydrophobicContact CD2-CD2 4.27Å; L368-Y582 HydrophobicContact CD2-CE1 4.15Å; L368-Y582 HydrophobicContact CD2-CE2 4.42Å; L368-Y582 HydrophobicContact CD2-CG 4.09Å
369	K	98	Very high	96.5	Very high	28 Å²	28	58.1 Å²	58.1	12%	0.122	29%	0.294	C	S	.	.	H	α-helix	trans	-59.2	-46.5	176	-178.1	176.6	178.2	170.9	0	112	C156 M159 R160 L365 R366 K367 L371 V372 Y373	C156-K369 PolarHBondContact O-NZ 2.85Å; M159-K369 VanDerWaalsContact CE-CA 3.47Å; M159-K369 HydrophobicContact CE-CB 3.72Å; M159-K369 HydrophobicContact CE-CG 4.34Å; M159-K369 WeakPolarHBondContact O-CE 3.41Å; M159-K369 HydrophobicContact SD-CB 4.29Å; R160-K369 PolarHBondContact O-NZ 2.93Å; L365-K369 WeakPolarHBondContact O-CB 3.18Å; L365-K369 PolarHBondContact O-N 3.41Å; R366-K369 WeakPolarHBondContact O-CB 3.41Å; R366-K369 PolarHBondContact O-N 2.65Å; K367-K369 VanDerWaalsContact C-N 3.34Å; K367-K369 PolarHBondContact O-N 3.01Å; K369-L371 VanDerWaalsContact C-N 3.25Å; K369-L371 PolarHBondContact O-N 2.66Å; K369-V372 PolarHBondContact O-N 3.08Å; K369-Y373 PolarHBondContact O-N 3.47Å; K369-Y373 VanDerWaalsContact O-N 3.11Å
370	D	96.8	Very high	96.3	Very high	94 Å²	94	58.9 Å²	58.9	50%	0.503	30%	0.297	S	S	.	.	H	α-helix	trans	-64.7	-32	179.4	-65.9	-14.4	0	0	0	112.1	R366 K367 L368	R366-D370 IonicContact CZ-OD2 2.84Å; R366-D370 IonicContact NH1-OD2 2.65Å; R366-D370 PolarHBondContact NH1-OD2 3.28Å; R366-D370 PolarHBondContact O-N 3Å; K367-D370 PolarHBondContact O-N 3.33Å; L368-D370 PolarHBondContact O-N 2.81Å
371	L	96.7	Very high	96.2	Very high	21 Å²	21	59.3 Å²	59.3	11%	0.11	29%	0.293	C	S	.	.	H	α-helix	trans	-70.1	-42.8	175.1	171.9	59.4	0	0	0	112.7	K367 L368 K369 W381 N384 L385 T388	K367-L371 WeakPolarHBondContact O-CB 3.25Å; K367-L371 PolarHBondContact O-N 2.72Å; L368-L371 HydrophobicContact CD1-CD2 4.46Å; L368-L371 WeakPolarHBondContact O-CB 3.31Å; L368-L371 PolarHBondContact O-N 3.46Å; K369-L371 VanDerWaalsContact C-N 3.25Å; K369-L371 PolarHBondContact O-N 2.66Å; L371-W381 HydrophobicContact CD1-CE3 4.25Å; L371-W381 HydrophobicContact CD1-CZ3 4.24Å; L371-W381 HydrophobicContact CD2-CE3 4.4Å; L371-W381 HydrophobicContact CD2-CZ3 3.99Å; L371-W381 HydrophobicContact CG-CE3 4.39Å; L371-W381 HydrophobicContact CG-CZ3 3.92Å; L371-N384 HydrophobicContact CD1-CB 3.47Å; L371-N384 VanDerWaalsContact CD1-CB 3.47Å; L371-N384 HydrophobicContact CD2-CB 4.19Å; L371-N384 HydrophobicContact CG-CB 4.44Å; L371-L385 VanDerWaalsContact CD2-CA 3.48Å; L371-L385 HydrophobicContact CD2-CB 4.01Å; L371-L385 HydrophobicContact CD2-CD1 4.32Å; L371-T388 HydrophobicContact CD2-CG2 3.93Å
372	V	95.8	Very high	96.2	Very high	4 Å²	4	65.7 Å²	65.7	2%	0.024	33%	0.327	C	S	.	.	H	α-helix	trans	-95.1	-16.5	-167.1	-57.6	0	0	0	0	114.9	M159 L368 K369 W381 L577 Y582 I583	M159-V372 HydrophobicContact CE-CG2 3.91Å; L368-V372 HydrophobicContact CD1-CG1 3.88Å; L368-V372 HydrophobicContact CG-CG1 4.42Å; L368-V372 WeakPolarHBondContact O-CG1 3.27Å; L368-V372 VanDerWaalsContact O-CG2 3.3Å; L368-V372 WeakPolarHBondContact O-CG2 3.43Å; L368-V372 PolarHBondContact O-N 3.4Å; K369-V372 PolarHBondContact O-N 3.08Å; V372-W381 HydrophobicContact CG1-CH2 4.17Å; V372-W381 HydrophobicContact CG1-CZ3 4.25Å; V372-L577 HydrophobicContact CG1-CD2 4.26Å; V372-Y582 WeakPolarHBondContact CG2-O 3.44Å; V372-I583 HydrophobicContact CB-CG1 4.13Å; V372-I583 HydrophobicContact CG1-CD1 4.44Å; V372-I583 HydrophobicContact CG1-CG1 4.22Å
373	Y	95	Very high	96.1	Very high	22 Å²	22	64.6 Å²	64.6	9%	0.086	33%	0.332	C	S	.	.	S	Bend	trans	-136.3	133.8	-175	-169.7	-84.5	0	0	0	112.9	P99 F100 M159 R160 I161 K369 W585	P99-Y373 HydrophobicContact CG-CE1 4.41Å; F100-Y373 AromaticContact CE2-CE2 4Å; F100-Y373 HydrophobicContact CE2-CE2 4Å; F100-Y373 HydrophobicContact CZ-CD2 4.28Å; F100-Y373 AromaticContact CZ-CE2 3.87Å; F100-Y373 HydrophobicContact CZ-CE2 3.87Å; M159-Y373 WeakPolarHBondContact O-CB 3.47Å; R160-Y373 HydrophobicContact CB-CD2 4.33Å; R160-Y373 HydrophobicContact CB-CE1 4.35Å; R160-Y373 HydrophobicContact CB-CE2 3.78Å; I161-Y373 HydrophobicContact CB-CD1 4.39Å; I161-Y373 HydrophobicContact CB-CE1 3.96Å; I161-Y373 HydrophobicContact CG1-CD1 4.43Å; I161-Y373 HydrophobicContact CG1-CE1 4.48Å; I161-Y373 VanDerWaalsContact O-CE1 3.32Å; I161-Y373 WeakPolarHBondContact O-CE1 3.21Å; I161-Y373 PolarHBondContact O-OH 3.24Å; K369-Y373 PolarHBondContact O-N 3.47Å; K369-Y373 VanDerWaalsContact O-N 3.11Å; Y373-W585 HydrophobicContact CD2-CB 4.48Å; Y373-W585 HydrophobicContact CE2-CB 4.06Å
374	P	92.3	Very high	96.1	Very high	51 Å²	51	63.4 Å²	63.4	33%	0.331	33%	0.328	S	S	.	.	S	Bend	cis	-85.2	-30	4	31.2	-33.6	0	0	0	114.3	P99 F100	P99-P374 HydrophobicContact CB-CB 3.39Å; P99-P374 HydrophobicContact CB-CG 4.19Å; P99-P374 HydrophobicContact CG-CB 3.92Å; F100-P374 WeakPolarHBondContact CE1-O 3.46Å
375	N	91.8	Very high	96	Very high	109 Å²	109	64.1 Å²	64.1	58%	0.583	33%	0.331	S	S	*	.			trans	-120.4	140.5	-174.7	-61.6	-49.8	0	0	0	109.5
376	I	93.2	Very high	96	Very high	40 Å²	40	69.7 Å²	69.7	21%	0.205	36%	0.356	C	S	.	.			trans	-92.8	135.3	176	-64.2	173.4	0	0	0	108.6	W381 I583 M589	I376-W381 HydrophobicContact CD1-CH2 4.45Å; I376-W381 HydrophobicContact CD1-CZ3 4.1Å; I376-W381 HydrophobicContact CG1-CZ3 4.36Å; I376-W381 HydrophobicContact CG2-CD2 4.35Å; I376-W381 HydrophobicContact CG2-CE3 3.45Å; I376-W381 VanDerWaalsContact CG2-CE3 3.45Å; I376-W381 HydrophobicContact CG2-CZ3 3.74Å; I376-I583 HydrophobicContact CD1-CD1 3.88Å; I376-I583 HydrophobicContact CD1-CG1 4.47Å; I376-I583 HydrophobicContact CD1-CG2 3.82Å; I376-M589 HydrophobicContact CD1-SD 4.21Å
377	E	91.8	Very high	96	Very high	107 Å²	107	67.3 Å²	67.3	50%	0.5	36%	0.357	S	S	.	.			trans	-89.9	105.9	170.5	-172.2	-173.3	-179.9	0	0	110.1	S379 H380 W381	E377-S379 PolarHBondContact O-N 3.43Å; E377-H380 IonicContact OE1-CD2 3.92Å; E377-H380 PolarHBondContact OE1-CD2 3.46Å; E377-W381 PolarHBondContact O-N 2.82Å
378	D	90.9	Very high	96	Very high	135 Å²	135	63.9 Å²	63.9	72%	0.722	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-66.6	-37	-171.9	-65.6	-30	0	0	0	113.3	H380 W381	D378-H380 PolarHBondContact O-N 3.41Å; D378-H380 VanDerWaalsContact O-N 3.12Å; D378-W381 PolarHBondContact O-N 3.23Å
379	S	96.6	Very high	96	Very high	103 Å²	103	68.5 Å²	68.5	72%	0.72	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-57.9	-30.5	-174.9	-57.6	0	0	0	0	113.9	E377	E377-S379 PolarHBondContact O-N 3.43Å
380	H	95.9	Very high	96	Very high	98 Å²	98	67.1 Å²	67.1	45%	0.454	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-124.2	20.2	-175.5	-64.2	-57.3	0	0	0	112.4	E377 D378 L382 S383 N384	E377-H380 IonicContact OE1-CD2 3.92Å; E377-H380 PolarHBondContact OE1-CD2 3.46Å; D378-H380 PolarHBondContact O-N 3.41Å; D378-H380 VanDerWaalsContact O-N 3.12Å; H380-L382 PolarHBondContact O-N 2.99Å; H380-S383 PolarHBondContact O-N 2.85Å; H380-S383 PolarHBondContact O-OG 3.19Å; H380-N384 VanDerWaalsContact O-CB 3.23Å; H380-N384 WeakPolarHBondContact O-CB 3.47Å; H380-N384 PolarHBondContact O-N 3.49Å; H380-N384 PolarHBondContact O-ND2 3.28Å
381	W	96.2	Very high	96.1	Very high	61 Å²	61	63.7 Å²	63.7	23%	0.231	34%	0.339	C	S	.	.	H	α-helix	trans	-49.7	-54.3	-175.2	169.6	-115.5	0	0	0	113.4	L371 V372 I376 E377 D378 N384 L385 L577 I583	L371-W381 HydrophobicContact CD1-CE3 4.25Å; L371-W381 HydrophobicContact CD1-CZ3 4.24Å; L371-W381 HydrophobicContact CD2-CE3 4.4Å; L371-W381 HydrophobicContact CD2-CZ3 3.99Å; L371-W381 HydrophobicContact CG-CE3 4.39Å; L371-W381 HydrophobicContact CG-CZ3 3.92Å; V372-W381 HydrophobicContact CG1-CH2 4.17Å; V372-W381 HydrophobicContact CG1-CZ3 4.25Å; I376-W381 HydrophobicContact CD1-CH2 4.45Å; I376-W381 HydrophobicContact CD1-CZ3 4.1Å; I376-W381 HydrophobicContact CG1-CZ3 4.36Å; I376-W381 HydrophobicContact CG2-CD2 4.35Å; I376-W381 HydrophobicContact CG2-CE3 3.45Å; I376-W381 VanDerWaalsContact CG2-CE3 3.45Å; I376-W381 HydrophobicContact CG2-CZ3 3.74Å; E377-W381 PolarHBondContact O-N 2.82Å; D378-W381 PolarHBondContact O-N 3.23Å; W381-N384 PolarHBondContact O-N 3.21Å; W381-L385 HydrophobicContact CZ2-CD2 4.11Å; W381-L385 VanDerWaalsContact O-CB 3.28Å; W381-L385 WeakPolarHBondContact O-CB 3.4Å; W381-L385 PolarHBondContact O-N 2.94Å; W381-L577 HydrophobicContact CH2-CD2 3.3Å; W381-L577 HydrophobicContact CZ2-CD2 3.5Å; W381-I583 HydrophobicContact CH2-CD1 4.21Å
382	L	97.4	Very high	96.2	Very high	137 Å²	137	65.3 Å²	65.3	72%	0.717	35%	0.346	S	S	*	.	H	α-helix	trans	-66.1	-45.9	-174.7	-64.4	176.1	0	0	0	112.2	H380 L385 E386	H380-L382 PolarHBondContact O-N 2.99Å; L382-L385 PolarHBondContact O-N 3.01Å; L382-E386 WeakPolarHBondContact O-CB 3.49Å; L382-E386 PolarHBondContact O-N 2.64Å
383	S	97.5	Very high	96.4	Very high	58 Å²	58	65.8 Å²	65.8	41%	0.406	35%	0.348	S	S	.	.	H	α-helix	trans	-67.1	-38.2	178.9	50.6	0	0	0	0	112	H380 E386 S387	H380-S383 PolarHBondContact O-N 2.85Å; H380-S383 PolarHBondContact O-OG 3.19Å; S383-E386 PolarHBondContact O-N 2.89Å; S383-S387 PolarHBondContact O-N 3.3Å
384	N	98.1	Very high	96.6	Very high	48 Å²	48	64.8 Å²	64.8	26%	0.257	34%	0.344	S	S	.	.	H	α-helix	trans	-68.5	-42	177.2	-69.2	-11.5	0	0	0	110.5	L371 H380 W381 S387 T388	L371-N384 HydrophobicContact CD1-CB 3.47Å; L371-N384 VanDerWaalsContact CD1-CB 3.47Å; L371-N384 HydrophobicContact CD2-CB 4.19Å; L371-N384 HydrophobicContact CG-CB 4.44Å; H380-N384 VanDerWaalsContact O-CB 3.23Å; H380-N384 WeakPolarHBondContact O-CB 3.47Å; H380-N384 PolarHBondContact O-N 3.49Å; H380-N384 PolarHBondContact O-ND2 3.28Å; W381-N384 PolarHBondContact O-N 3.21Å; N384-S387 WeakPolarHBondContact O-CB 3.23Å; N384-S387 PolarHBondContact O-N 3.41Å; N384-S387 PolarHBondContact O-OG 3.41Å; N384-T388 WeakPolarHBondContact O-CG2 3.5Å; N384-T388 PolarHBondContact O-N 2.64Å
385	L	98.2	Very high	96.9	Very high	18 Å²	18	65 Å²	65	9%	0.094	34%	0.34	C	S	.	.	H	α-helix	trans	-60.4	-45.6	174.1	178.7	60	0	0	0	111.5	L368 L371 W381 L382 S387 T388 L391 L577	L368-L385 HydrophobicContact CD1-CD1 3.91Å; L371-L385 VanDerWaalsContact CD2-CA 3.48Å; L371-L385 HydrophobicContact CD2-CB 4.01Å; L371-L385 HydrophobicContact CD2-CD1 4.32Å; W381-L385 HydrophobicContact CZ2-CD2 4.11Å; W381-L385 VanDerWaalsContact O-CB 3.28Å; W381-L385 WeakPolarHBondContact O-CB 3.4Å; W381-L385 PolarHBondContact O-N 2.94Å; L382-L385 PolarHBondContact O-N 3.01Å; L385-S387 VanDerWaalsContact C-N 3.29Å; L385-S387 PolarHBondContact O-N 3.24Å; L385-T388 WeakPolarHBondContact O-CB 3.47Å; L385-T388 PolarHBondContact O-N 3.44Å; L385-T388 VanDerWaalsContact O-N 3.14Å; L385-T388 PolarHBondContact O-OG1 2.94Å; L385-L391 HydrophobicContact CD2-CD1 3.88Å; L385-L391 HydrophobicContact CG-CD1 4.38Å; L385-L577 HydrophobicContact CD1-CD1 4.23Å; L385-L577 HydrophobicContact CD1-CD2 4.27Å; L385-L577 HydrophobicContact CD2-CB 4.34Å
386	E	98.2	Very high	97.2	Very high	142 Å²	142	61.6 Å²	61.6	66%	0.664	32%	0.321	S	S	*	.	H	α-helix	trans	-56.6	-42.3	175	-177.4	177.8	-163	0	0	111.8	L382 S383 T388 H389	L382-E386 WeakPolarHBondContact O-CB 3.49Å; L382-E386 PolarHBondContact O-N 2.64Å; S383-E386 PolarHBondContact O-N 2.89Å; E386-T388 PolarHBondContact O-N 2.8Å; E386-T388 VanDerWaalsContact O-N 3.15Å; E386-H389 PolarHBondContact O-N 3.17Å; E386-H389 PolarHBondContact O-ND1 3.12Å
387	S	98.3	Very high	97.5	Very high	62 Å²	62	59.7 Å²	59.7	43%	0.434	31%	0.312	S	S	.	.	H	α-helix	trans	-64.5	-18.1	179.6	83.9	0	0	0	0	114.8	K367 S383 N384 L385 H389	K367-S387 PolarHBondContact NZ-O 2.88Å; S383-S387 PolarHBondContact O-N 3.3Å; N384-S387 WeakPolarHBondContact O-CB 3.23Å; N384-S387 PolarHBondContact O-N 3.41Å; N384-S387 PolarHBondContact O-OG 3.41Å; L385-S387 VanDerWaalsContact C-N 3.29Å; L385-S387 PolarHBondContact O-N 3.24Å; S387-H389 VanDerWaalsContact C-N 3.31Å
388	T	98.7	Very high	97.8	Very high	3 Å²	3	54.6 Å²	54.6	2%	0.018	29%	0.288	C	S	.	.	H	α-helix	trans	-75.6	-23.9	172.9	75.5	0	0	0	0	112	S364 K367 L368 L371 N384 L385 E386 W390	S364-T388 WeakPolarHBondContact CA-O 3.28Å; S364-T388 VanDerWaalsContact CB-O 3.32Å; S364-T388 WeakPolarHBondContact CB-O 3.41Å; S364-T388 PolarHBondContact OG-O 3Å; K367-T388 HydrophobicContact CB-CG2 4.03Å; L368-T388 HydrophobicContact CB-CG2 4.29Å; L368-T388 HydrophobicContact CD1-CG2 4.43Å; L371-T388 HydrophobicContact CD2-CG2 3.93Å; N384-T388 WeakPolarHBondContact O-CG2 3.5Å; N384-T388 PolarHBondContact O-N 2.64Å; L385-T388 WeakPolarHBondContact O-CB 3.47Å; L385-T388 PolarHBondContact O-N 3.44Å; L385-T388 VanDerWaalsContact O-N 3.14Å; L385-T388 PolarHBondContact O-OG1 2.94Å; E386-T388 PolarHBondContact O-N 2.8Å; E386-T388 VanDerWaalsContact O-N 3.15Å; T388-W390 PolarHBondContact O-N 3.26Å; T388-W390 VanDerWaalsContact O-N 3.13Å; T388-W390 WeakPolarHBondContact OG1-CB 3.34Å; T388-W390 PolarHBondContact OG1-N 2.69Å; T388-W390 VanDerWaalsContact OG1-N 3.11Å
389	H	98.8	Very high	98.2	Very high	97 Å²	97	49.6 Å²	49.6	45%	0.449	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	11.4	-168.7	-55.8	-66.5	0	0	0	115.4	E386 S387 L391 E392 H393	E386-H389 PolarHBondContact O-N 3.17Å; E386-H389 PolarHBondContact O-ND1 3.12Å; S387-H389 VanDerWaalsContact C-N 3.31Å; H389-L391 PolarHBondContact O-N 3.38Å; H389-E392 PolarHBondContact O-N 2.86Å; H389-E392 VanDerWaalsContact O-N 3.17Å; H389-H393 PolarHBondContact O-CD2 3.13Å; H389-H393 VanDerWaalsContact O-CD2 3.28Å; H389-H393 PolarHBondContact O-N 2.88Å
390	W	98.9	Very high	98.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-58	-52.9	-175.1	-175.4	-101.1	0	0	0	111.8	S364 L365 L368 T388 E392 H393 I394 P480 Q484 D487 Y582	S364-W390 VanDerWaalsContact OG-CA 3.32Å; S364-W390 WeakPolarHBondContact OG-CA 3.41Å; S364-W390 PolarHBondContact OG-N 3.44Å; L365-W390 HydrophobicContact CB-CE3 4.19Å; L365-W390 HydrophobicContact CB-CH2 4.31Å; L365-W390 HydrophobicContact CB-CZ3 3.65Å; L365-W390 HydrophobicContact CD1-CE3 4.42Å; L365-W390 HydrophobicContact CD1-CH2 4.07Å; L365-W390 HydrophobicContact CD1-CZ3 4.05Å; L365-W390 HydrophobicContact CG-CZ3 4.36Å; L368-W390 HydrophobicContact CD2-CB 4.17Å; L368-W390 HydrophobicContact CD2-CD2 3.89Å; L368-W390 HydrophobicContact CD2-CG 3.66Å; T388-W390 PolarHBondContact O-N 3.26Å; T388-W390 VanDerWaalsContact O-N 3.13Å; T388-W390 WeakPolarHBondContact OG1-CB 3.34Å; T388-W390 PolarHBondContact OG1-N 2.69Å; T388-W390 VanDerWaalsContact OG1-N 3.11Å; W390-E392 VanDerWaalsContact C-N 3.29Å; W390-E392 PolarHBondContact O-N 3.45Å; W390-H393 WeakPolarHBondContact O-CB 3.35Å; W390-H393 PolarHBondContact O-N 3.36Å; W390-H393 VanDerWaalsContact O-N 3.11Å; W390-I394 HydrophobicContact CZ2-CD1 4.3Å; W390-I394 WeakPolarHBondContact O-CG1 3.49Å; W390-I394 PolarHBondContact O-N 3.22Å; W390-P480 HydrophobicContact CH2-CB 4.3Å; W390-P480 HydrophobicContact CH2-CG 4.09Å; W390-P480 HydrophobicContact CZ3-CG 4.07Å; W390-Q484 HydrophobicContact CH2-CG 3.34Å; W390-Q484 HydrophobicContact CZ2-CG 3.77Å; W390-Q484 HydrophobicContact CZ3-CG 3.98Å; W390-D487 PolarHBondContact NE1-OD2 3Å; W390-Y582 AromaticContact CE2-CZ 3.93Å; W390-Y582 HydrophobicContact CZ2-CE1 4.42Å; W390-Y582 AromaticContact CZ2-CZ 3.88Å; W390-Y582 WeakPolarHBondContact CZ2-OH 3.45Å; W390-Y582 AromaticContact NE1-CE2 3.77Å; W390-Y582 AromaticContact NE1-CZ 3.71Å; W390-Y582 PolarHBondContact NE1-OH 3.37Å
391	L	98.8	Very high	98.5	Very high	21 Å²	21	40.1 Å²	40.1	11%	0.11	21%	0.21	C	C	.	.	H	α-helix	trans	-66.7	-28.3	179.1	-65.9	-176.8	0	0	0	113.2	L385 H389 I394 K395 L572	L385-L391 HydrophobicContact CD2-CD1 3.88Å; L385-L391 HydrophobicContact CG-CD1 4.38Å; H389-L391 PolarHBondContact O-N 3.38Å; L391-I394 PolarHBondContact O-N 3.43Å; L391-K395 VanDerWaalsContact O-CB 3.24Å; L391-K395 WeakPolarHBondContact O-CB 3.41Å; L391-K395 PolarHBondContact O-N 3.3Å; L391-L572 HydrophobicContact CB-CD2 4Å
392	E	98.7	Very high	98.6	Very high	56 Å²	56	39 Å²	39	26%	0.262	21%	0.209	S	C	.	.	H	α-helix	trans	-68.3	-37.6	173.3	-173.1	62.1	-151.9	0	0	110.7	H389 W390 K395 L396	H389-E392 PolarHBondContact O-N 2.86Å; H389-E392 VanDerWaalsContact O-N 3.17Å; W390-E392 VanDerWaalsContact C-N 3.29Å; W390-E392 PolarHBondContact O-N 3.45Å; E392-K395 VanDerWaalsContact CD-NZ 3.32Å; E392-K395 WeakPolarHBondContact O-CB 3.29Å; E392-K395 PolarHBondContact O-N 3.01Å; E392-K395 IonicContact OE1-NZ 3.42Å; E392-K395 PolarHBondContact OE1-NZ 3.15Å; E392-K395 WeakPolarHBondContact OE2-CD 3.38Å; E392-K395 IonicContact OE2-NZ 2.83Å; E392-K395 PolarHBondContact OE2-NZ 3.49Å; E392-L396 VanDerWaalsContact O-CG 3.32Å; E392-L396 WeakPolarHBondContact O-CG 3.32Å; E392-L396 PolarHBondContact O-N 3.45Å
393	H	98.9	Very high	98.7	Very high	14 Å²	14	38.1 Å²	38.1	7%	0.065	20%	0.196	C	C	.	.	H	α-helix	trans	-68.1	-42.4	173.8	-62.5	-34	0	0	0	112.5	M361 S364 H389 W390 K395 L396 I397	M361-H393 HydrophobicContact CE-CB 4.2Å; M361-H393 HydrophobicContact SD-CB 3.9Å; S364-H393 PolarHBondContact OG-CD2 2.97Å; H389-H393 PolarHBondContact O-CD2 3.13Å; H389-H393 VanDerWaalsContact O-CD2 3.28Å; H389-H393 PolarHBondContact O-N 2.88Å; W390-H393 WeakPolarHBondContact O-CB 3.35Å; W390-H393 PolarHBondContact O-N 3.36Å; W390-H393 VanDerWaalsContact O-N 3.11Å; H393-K395 VanDerWaalsContact C-N 3.31Å; H393-K395 PolarHBondContact O-N 3.4Å; H393-L396 PolarHBondContact O-N 3.43Å; H393-I397 WeakPolarHBondContact O-CD1 3.09Å; H393-I397 VanDerWaalsContact O-CG1 3.3Å; H393-I397 WeakPolarHBondContact O-CG1 3.3Å; H393-I397 PolarHBondContact O-N 2.98Å
394	I	98.9	Very high	98.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-58.5	-45	173.3	-63.4	-56.8	0	0	0	110.6	W390 L391 L396 I397 L398 Q484 D487 Q491 L575	W390-I394 HydrophobicContact CZ2-CD1 4.3Å; W390-I394 WeakPolarHBondContact O-CG1 3.49Å; W390-I394 PolarHBondContact O-N 3.22Å; L391-I394 PolarHBondContact O-N 3.43Å; I394-L396 PolarHBondContact O-N 2.92Å; I394-I397 PolarHBondContact O-N 3.14Å; I394-L398 HydrophobicContact CG2-CD1 3.95Å; I394-L398 PolarHBondContact O-N 2.64Å; I394-Q484 HydrophobicContact CD1-CB 4.09Å; I394-Q484 HydrophobicContact CD1-CG 4.22Å; I394-D487 HydrophobicContact CD1-CB 3.82Å; I394-Q491 HydrophobicContact CG2-CG 3.88Å; I394-L575 HydrophobicContact CG2-CD1 4.38Å
395	K	98.9	Very high	98.8	Very high	57 Å²	57	33 Å²	33	25%	0.248	16%	0.164	C	C	.	.	H	α-helix	trans	-56.9	-49.3	174.5	176.7	-166.9	160.8	-153.9	0	112.4	L391 E392 H393 I397 L398 A399 I570 L572 L575	L391-K395 VanDerWaalsContact O-CB 3.24Å; L391-K395 WeakPolarHBondContact O-CB 3.41Å; L391-K395 PolarHBondContact O-N 3.3Å; E392-K395 VanDerWaalsContact CD-NZ 3.32Å; E392-K395 WeakPolarHBondContact O-CB 3.29Å; E392-K395 PolarHBondContact O-N 3.01Å; E392-K395 IonicContact OE1-NZ 3.42Å; E392-K395 PolarHBondContact OE1-NZ 3.15Å; E392-K395 WeakPolarHBondContact OE2-CD 3.38Å; E392-K395 IonicContact OE2-NZ 2.83Å; E392-K395 PolarHBondContact OE2-NZ 3.49Å; H393-K395 VanDerWaalsContact C-N 3.31Å; H393-K395 PolarHBondContact O-N 3.4Å; K395-I397 VanDerWaalsContact C-N 3.33Å; K395-I397 PolarHBondContact O-N 3.44Å; K395-L398 PolarHBondContact O-N 2.93Å; K395-A399 WeakPolarHBondContact O-CB 3.2Å; K395-A399 PolarHBondContact O-N 3.11Å; K395-I570 HydrophobicContact CB-CG2 4.41Å; K395-I570 HydrophobicContact CG-CG2 3.68Å; K395-I570 WeakPolarHBondContact O-CG2 3.33Å; K395-L572 HydrophobicContact CB-CD2 4.48Å; K395-L572 HydrophobicContact CD-CD2 4.09Å; K395-L572 HydrophobicContact CD-CG 4.11Å; K395-L575 HydrophobicContact CB-CD1 3.57Å; K395-L575 HydrophobicContact CG-CD1 4.32Å
396	L	98.9	Very high	98.8	Very high	37 Å²	37	35.4 Å²	35.4	19%	0.194	18%	0.177	C	C	.	.	H	α-helix	trans	-63.2	-39.7	-179.1	-71.5	170.1	0	0	0	112	I355 E392 H393 I394 G400	I355-L396 HydrophobicContact CG1-CB 4.28Å; E392-L396 VanDerWaalsContact O-CG 3.32Å; E392-L396 WeakPolarHBondContact O-CG 3.32Å; E392-L396 PolarHBondContact O-N 3.45Å; H393-L396 PolarHBondContact O-N 3.43Å; I394-L396 PolarHBondContact O-N 2.92Å; L396-G400 PolarHBondContact O-N 3.11Å
397	I	98.9	Very high	98.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.7	-50.7	176.6	-66.5	163.4	0	0	0	110.6	I355 H393 I394 K395 G400 A401 Q428 L432 Q484	I355-I397 HydrophobicContact CD1-CG1 4.14Å; I355-I397 HydrophobicContact CG1-CG1 4.46Å; I355-I397 HydrophobicContact CG2-CG1 3.87Å; H393-I397 WeakPolarHBondContact O-CD1 3.09Å; H393-I397 VanDerWaalsContact O-CG1 3.3Å; H393-I397 WeakPolarHBondContact O-CG1 3.3Å; H393-I397 PolarHBondContact O-N 2.98Å; I394-I397 PolarHBondContact O-N 3.14Å; K395-I397 VanDerWaalsContact C-N 3.33Å; K395-I397 PolarHBondContact O-N 3.44Å; I397-G400 PolarHBondContact O-N 3.13Å; I397-A401 PolarHBondContact O-N 3.28Å; I397-Q428 HydrophobicContact CG2-CB 4.07Å; I397-L432 HydrophobicContact CG2-CD1 3.46Å; I397-L432 VanDerWaalsContact CG2-CD1 3.46Å; I397-Q484 HydrophobicContact CD1-CB 4.02Å; I397-Q484 HydrophobicContact CD1-CG 4.49Å
398	L	98.9	Very high	98.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-64.3	-39.3	178.2	-76.7	169.6	0	0	0	112.6	I394 K395 G400 A401 L402 L432 M436 C488 Q491 L492 I570 L575	I394-L398 HydrophobicContact CG2-CD1 3.95Å; I394-L398 PolarHBondContact O-N 2.64Å; K395-L398 PolarHBondContact O-N 2.93Å; L398-G400 VanDerWaalsContact C-N 3.34Å; L398-A401 PolarHBondContact O-N 3.28Å; L398-L402 VanDerWaalsContact O-CB 3.32Å; L398-L402 WeakPolarHBondContact O-CB 3.25Å; L398-L402 PolarHBondContact O-N 3.4Å; L398-L432 HydrophobicContact CD2-CD1 4.43Å; L398-L432 HydrophobicContact CD2-CD2 4.37Å; L398-M436 HydrophobicContact CD2-CE 4.23Å; L398-C488 HydrophobicContact CD1-CB 4.48Å; L398-C488 HydrophobicContact CD2-CB 3.76Å; L398-C488 HydrophobicContact CG-CB 3.94Å; L398-Q491 HydrophobicContact CD1-CB 3.91Å; L398-Q491 HydrophobicContact CD1-CG 4.07Å; L398-L492 HydrophobicContact CD2-CD2 4.13Å; L398-L492 HydrophobicContact CD2-CG 4.28Å; L398-I570 HydrophobicContact CB-CD1 3.54Å; L398-I570 HydrophobicContact CB-CG1 4.26Å; L398-I570 HydrophobicContact CB-CG2 4.36Å; L398-I570 HydrophobicContact CD1-CD1 4.1Å; L398-I570 HydrophobicContact CG-CD1 4.32Å; L398-L575 HydrophobicContact CD1-CD2 3.74Å
399	A	98.9	Very high	98.8	Very high	30 Å²	30	30.1 Å²	30.1	25%	0.248	14%	0.144	C	C	.	.	H	α-helix	trans	-62.4	-42.5	175.6	0	0	0	0	0	111.1	K395 L402 R403 I570	K395-A399 WeakPolarHBondContact O-CB 3.2Å; K395-A399 PolarHBondContact O-N 3.11Å; A399-L402 PolarHBondContact O-N 3.42Å; A399-R403 VanDerWaalsContact O-CG 3.3Å; A399-R403 WeakPolarHBondContact O-CG 3.49Å; A399-R403 PolarHBondContact O-N 3.07Å; A399-I570 HydrophobicContact CB-CG2 3.87Å
400	G	98.9	Very high	98.7	Very high	2 Å²	2	29 Å²	29	2%	0.021	15%	0.147	C	C	.	.	H	α-helix	trans	-60.8	-47.1	175.2	0	0	0	0	0	112.5	L396 I397 L398 R403 I404	L396-G400 PolarHBondContact O-N 3.11Å; I397-G400 PolarHBondContact O-N 3.13Å; L398-G400 VanDerWaalsContact C-N 3.34Å; G400-R403 PolarHBondContact O-N 3.36Å; G400-I404 WeakPolarHBondContact O-CG1 3.33Å; G400-I404 PolarHBondContact O-N 3.09Å; G400-I404 VanDerWaalsContact O-N 3.14Å
401	A	98.9	Very high	98.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-63.3	-40.9	176.6	0	0	0	0	0	112.4	I397 L398 R403 I404 A405 L429 L432 S433 M436	I397-A401 PolarHBondContact O-N 3.28Å; L398-A401 PolarHBondContact O-N 3.28Å; A401-R403 PolarHBondContact O-N 3.13Å; A401-I404 WeakPolarHBondContact O-CB 3.48Å; A401-I404 PolarHBondContact O-N 3.28Å; A401-A405 WeakPolarHBondContact O-CB 3.44Å; A401-A405 PolarHBondContact O-N 3.27Å; A401-L429 HydrophobicContact CB-CD2 4.46Å; A401-L432 HydrophobicContact CB-CB 3.46Å; A401-L432 VanDerWaalsContact CB-CB 3.46Å; A401-L432 HydrophobicContact CB-CD1 4.34Å; A401-S433 WeakPolarHBondContact CA-OG 3.44Å; A401-S433 PolarHBondContact O-OG 3.22Å; A401-M436 HydrophobicContact CB-CE 3.85Å; A401-M436 HydrophobicContact CB-SD 4.49Å
402	L	98.9	Very high	98.6	Very high	37 Å²	37	32.6 Å²	32.6	19%	0.194	17%	0.171	C	C	.	.	H	α-helix	trans	-61.3	-42.9	175.9	-179.3	60.2	0	0	0	111.9	L398 A399 I404 A405 D406 M436 F567 P568 I570	L398-L402 VanDerWaalsContact O-CB 3.32Å; L398-L402 WeakPolarHBondContact O-CB 3.25Å; L398-L402 PolarHBondContact O-N 3.4Å; A399-L402 PolarHBondContact O-N 3.42Å; L402-I404 VanDerWaalsContact C-N 3.3Å; L402-I404 PolarHBondContact O-N 3.49Å; L402-A405 PolarHBondContact O-N 3.38Å; L402-D406 VanDerWaalsContact O-CB 3.27Å; L402-D406 WeakPolarHBondContact O-CB 3.37Å; L402-D406 PolarHBondContact O-N 3.04Å; L402-M436 HydrophobicContact CB-SD 4.43Å; L402-M436 HydrophobicContact CD1-SD 4.34Å; L402-F567 HydrophobicContact CD1-CB 4.41Å; L402-F567 HydrophobicContact CD1-CD1 3.63Å; L402-F567 HydrophobicContact CD1-CE1 4.43Å; L402-F567 HydrophobicContact CD1-CG 4.48Å; L402-P568 HydrophobicContact CD1-CG 4.45Å; L402-I570 HydrophobicContact CD2-CG1 3.79Å
403	R	98.9	Very high	98.6	Very high	118 Å²	118	30.4 Å²	30.4	45%	0.445	16%	0.162	S	C	.	.	H	α-helix	trans	-63.3	-37.5	176.9	-71.4	179.3	75.8	-176.6	5.6	112.2	F321 A399 G400 A401 K407	F321-R403 HydrophobicContact CE1-CB 3.97Å; F321-R403 HydrophobicContact CZ-CB 4.35Å; A399-R403 VanDerWaalsContact O-CG 3.3Å; A399-R403 WeakPolarHBondContact O-CG 3.49Å; A399-R403 PolarHBondContact O-N 3.07Å; G400-R403 PolarHBondContact O-N 3.36Å; A401-R403 PolarHBondContact O-N 3.13Å; R403-K407 WeakPolarHBondContact O-CB 3.49Å; R403-K407 PolarHBondContact O-N 2.91Å; R403-K407 VanDerWaalsContact O-N 3.11Å
404	I	98.9	Very high	98.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-65.7	-52.4	174.5	-71.3	159.3	0	0	0	110	V283 F321 G400 A401 L402 D406 K407 V408 V415 V417 L429 S433	V283-I404 HydrophobicContact CG2-CG2 4.3Å; F321-I404 HydrophobicContact CB-CD1 4.33Å; F321-I404 HydrophobicContact CB-CG1 4.17Å; F321-I404 HydrophobicContact CD1-CG1 4.28Å; F321-I404 HydrophobicContact CD2-CG1 3.59Å; F321-I404 HydrophobicContact CE2-CG1 3.96Å; F321-I404 HydrophobicContact CG-CD1 4.43Å; F321-I404 HydrophobicContact CG-CG1 3.75Å; F321-I404 HydrophobicContact CZ-CG1 4.43Å; G400-I404 WeakPolarHBondContact O-CG1 3.33Å; G400-I404 PolarHBondContact O-N 3.09Å; G400-I404 VanDerWaalsContact O-N 3.14Å; A401-I404 WeakPolarHBondContact O-CB 3.48Å; A401-I404 PolarHBondContact O-N 3.28Å; L402-I404 VanDerWaalsContact C-N 3.3Å; L402-I404 PolarHBondContact O-N 3.49Å; I404-D406 PolarHBondContact O-N 3.48Å; I404-K407 PolarHBondContact O-N 2.83Å; I404-V408 WeakPolarHBondContact O-CG2 3.46Å; I404-V408 PolarHBondContact O-N 3.4Å; I404-V408 VanDerWaalsContact O-N 3.11Å; I404-V415 HydrophobicContact CG2-CG2 3.92Å; I404-V417 HydrophobicContact CD1-CG1 3.99Å; I404-V417 HydrophobicContact CD1-CG2 3.69Å; I404-V417 HydrophobicContact CG1-CG2 4.15Å; I404-V417 HydrophobicContact CG2-CG2 4.41Å; I404-L429 HydrophobicContact CD1-CB 3.85Å; I404-L429 HydrophobicContact CD1-CD1 4.39Å; I404-L429 HydrophobicContact CD1-CD2 4.17Å; I404-L429 HydrophobicContact CD1-CG 4.37Å; I404-S433 WeakPolarHBondContact CB-OG 3.49Å; I404-S433 VanDerWaalsContact CG2-OG 3.25Å; I404-S433 WeakPolarHBondContact CG2-OG 3.35Å
405	A	98.8	Very high	98.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-59.1	-45.6	-179.9	0	0	0	0	0	112.1	A401 L402 K407 V408 E409 M436 L437	A401-A405 WeakPolarHBondContact O-CB 3.44Å; A401-A405 PolarHBondContact O-N 3.27Å; L402-A405 PolarHBondContact O-N 3.38Å; A405-K407 VanDerWaalsContact C-N 3.35Å; A405-K407 PolarHBondContact O-N 3.17Å; A405-V408 PolarHBondContact O-N 2.91Å; A405-E409 VanDerWaalsContact O-CB 3.31Å; A405-E409 WeakPolarHBondContact O-CB 3.46Å; A405-E409 PolarHBondContact O-N 2.93Å; A405-M436 HydrophobicContact CB-CB 3.98Å; A405-M436 HydrophobicContact CB-SD 4.02Å; A405-L437 HydrophobicContact CB-CD1 4.42Å; A405-L437 HydrophobicContact CB-CD2 4.13Å; A405-L437 HydrophobicContact CB-CG 4.03Å
406	D	98.6	Very high	98.6	Very high	67 Å²	67	27.1 Å²	27.1	36%	0.358	15%	0.147	S	C	.	.	H	α-helix	trans	-62.4	-38.9	176.7	179.7	63.4	0	0	0	112.6	L402 I404 V408 S410 G411 F567	L402-D406 VanDerWaalsContact O-CB 3.27Å; L402-D406 WeakPolarHBondContact O-CB 3.37Å; L402-D406 PolarHBondContact O-N 3.04Å; I404-D406 PolarHBondContact O-N 3.48Å; D406-V408 VanDerWaalsContact C-N 3.32Å; D406-V408 PolarHBondContact O-N 2.82Å; D406-S410 WeakPolarHBondContact O-CA 3.46Å; D406-S410 VanDerWaalsContact O-CB 3.28Å; D406-S410 WeakPolarHBondContact O-CB 3.41Å; D406-S410 PolarHBondContact O-N 3.07Å; D406-S410 VanDerWaalsContact OD1-CB 3.26Å; D406-S410 WeakPolarHBondContact OD1-CB 3.44Å; D406-S410 PolarHBondContact OD1-OG 2.89Å; D406-G411 PolarHBondContact O-N 3.4Å; D406-F567 HydrophobicContact CB-CE1 4.09Å
407	K	98.6	Very high	98.6	Very high	52 Å²	52	25.3 Å²	25.3	23%	0.226	14%	0.138	C	C	.	.	H	α-helix	trans	-66.1	-36.7	178.2	-170.8	54.6	57.2	178.6	0	112.4	F319 F321 R403 I404 A405 G411 K412 T413 V415	F319-K407 HydrophobicContact CB-CG 4.12Å; F319-K407 HydrophobicContact CD1-CD 4.39Å; F319-K407 HydrophobicContact CD1-CG 4.46Å; F319-K407 HydrophobicContact CD2-CD 3.64Å; F319-K407 HydrophobicContact CD2-CG 3.91Å; F319-K407 HydrophobicContact CE1-CD 4.46Å; F319-K407 HydrophobicContact CE2-CD 3.72Å; F319-K407 HydrophobicContact CE2-CG 4.49Å; F319-K407 HydrophobicContact CG-CD 3.99Å; F319-K407 HydrophobicContact CG-CG 3.89Å; F319-K407 HydrophobicContact CZ-CD 4.16Å; F321-K407 HydrophobicContact CE2-CB 4.3Å; F321-K407 HydrophobicContact CE2-CG 4.44Å; F321-K407 HydrophobicContact CZ-CB 4.27Å; R403-K407 WeakPolarHBondContact O-CB 3.49Å; R403-K407 PolarHBondContact O-N 2.91Å; R403-K407 VanDerWaalsContact O-N 3.11Å; I404-K407 PolarHBondContact O-N 2.83Å; A405-K407 VanDerWaalsContact C-N 3.35Å; A405-K407 PolarHBondContact O-N 3.17Å; K407-G411 CarbonylContact O-C 3.34Å; K407-G411 VanDerWaalsContact O-C 3.24Å; K407-G411 WeakPolarHBondContact O-CA 3.49Å; K407-G411 PolarHBondContact O-N 3.29Å; K407-K412 PolarHBondContact O-N 3.43Å; K407-T413 HydrophobicContact CD-CG2 4.22Å; K407-T413 HydrophobicContact CG-CG2 4.28Å; K407-T413 PolarHBondContact O-N 3.01Å; K407-T413 VanDerWaalsContact O-N 3.11Å; K407-V415 HydrophobicContact CB-CG1 4.07Å; K407-V415 HydrophobicContact CG-CG1 3.84Å
408	V	98.6	Very high	98.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-76	-47.8	177.7	175	0	0	0	0	111.2	W274 H276 A281 V283 I404 A405 D406 K412 V415 L437	W274-V408 HydrophobicContact CE3-CG1 4.31Å; W274-V408 HydrophobicContact CZ3-CG1 3.67Å; H276-V408 HydrophobicContact CB-CG1 4.42Å; A281-V408 HydrophobicContact CB-CG1 4.06Å; V283-V408 HydrophobicContact CG2-CG2 3.84Å; I404-V408 WeakPolarHBondContact O-CG2 3.46Å; I404-V408 PolarHBondContact O-N 3.4Å; I404-V408 VanDerWaalsContact O-N 3.11Å; A405-V408 PolarHBondContact O-N 2.91Å; D406-V408 VanDerWaalsContact C-N 3.32Å; D406-V408 PolarHBondContact O-N 2.82Å; V408-K412 VanDerWaalsContact O-CA 3.29Å; V408-K412 WeakPolarHBondContact O-CA 3.35Å; V408-K412 PolarHBondContact O-N 2.9Å; V408-V415 HydrophobicContact CG2-CG1 3.88Å; V408-V415 HydrophobicContact CG2-CG2 3.98Å; V408-L437 HydrophobicContact CB-CD1 4.26Å; V408-L437 HydrophobicContact CG1-CD1 4.11Å; V408-L437 HydrophobicContact CG1-CD2 4.44Å
409	E	97.9	Very high	98.5	Very high	44 Å²	44	25.4 Å²	25.4	21%	0.206	14%	0.139	C	C	.	.	H	α-helix	trans	-75.7	-63.5	-177.3	-179.4	53.9	-131.4	0	0	111.9	H276 A405 K412 L437 V565 F567	H276-E409 IonicContact CD2-OE2 2.65Å; H276-E409 PolarHBondContact CD2-OE2 2.87Å; H276-E409 IonicContact NE2-OE1 3.83Å; H276-E409 IonicContact NE2-OE2 3.24Å; H276-E409 PolarHBondContact NE2-OE2 3.19Å; A405-E409 VanDerWaalsContact O-CB 3.31Å; A405-E409 WeakPolarHBondContact O-CB 3.46Å; A405-E409 PolarHBondContact O-N 2.93Å; E409-K412 WeakPolarHBondContact O-CD 3.41Å; E409-K412 WeakPolarHBondContact O-CE 3.21Å; E409-K412 PolarHBondContact O-NZ 3.36Å; E409-K412 IonicContact OE1-NZ 3.93Å; E409-K412 PolarHBondContact OE1-NZ 3.02Å; E409-L437 HydrophobicContact CB-CD2 3.85Å; E409-V565 HydrophobicContact CB-CG1 4.42Å; E409-V565 HydrophobicContact CG-CB 4.29Å; E409-V565 HydrophobicContact CG-CG1 4.18Å; E409-V565 HydrophobicContact CG-CG2 3.88Å; E409-V565 WeakPolarHBondContact OE2-CG2 3.3Å; E409-F567 HydrophobicContact CB-CZ 4.22Å; E409-F567 HydrophobicContact CG-CZ 4.02Å
410	S	97	Very high	98.5	Very high	73 Å²	73	24.7 Å²	24.7	51%	0.51	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-40.4	-175.3	-48.3	0	0	0	0	111.3	D406	D406-S410 WeakPolarHBondContact O-CA 3.46Å; D406-S410 VanDerWaalsContact O-CB 3.28Å; D406-S410 WeakPolarHBondContact O-CB 3.41Å; D406-S410 PolarHBondContact O-N 3.07Å; D406-S410 VanDerWaalsContact OD1-CB 3.26Å; D406-S410 WeakPolarHBondContact OD1-CB 3.44Å; D406-S410 PolarHBondContact OD1-OG 2.89Å
411	G	97.2	Very high	98.5	Very high	33 Å²	33	26.7 Å²	26.7	34%	0.34	14%	0.142	S	C	.	.	S	Bend	trans	-82.3	-10.5	-177.8	0	0	0	0	0	114.7	D406 K407 T413	D406-G411 PolarHBondContact O-N 3.4Å; K407-G411 CarbonylContact O-C 3.34Å; K407-G411 VanDerWaalsContact O-C 3.24Å; K407-G411 WeakPolarHBondContact O-CA 3.49Å; K407-G411 PolarHBondContact O-N 3.29Å; G411-T413 PolarHBondContact O-N 3.4Å; G411-T413 PolarHBondContact O-OG1 2.92Å
412	K	98.1	Very high	98.4	Very high	64 Å²	64	26.7 Å²	26.7	28%	0.278	14%	0.142	S	C	.	.			trans	47.7	30.5	-176	-51.4	-59.6	178.4	-164.3	0	112.6	N312 Q314 K407 V408 E409	N312-K412 PolarHBondContact ND2-O 2.92Å; Q314-K412 HydrophobicContact CB-CB 4.27Å; K407-K412 PolarHBondContact O-N 3.43Å; V408-K412 VanDerWaalsContact O-CA 3.29Å; V408-K412 WeakPolarHBondContact O-CA 3.35Å; V408-K412 PolarHBondContact O-N 2.9Å; E409-K412 WeakPolarHBondContact O-CD 3.41Å; E409-K412 WeakPolarHBondContact O-CE 3.21Å; E409-K412 PolarHBondContact O-NZ 3.36Å; E409-K412 IonicContact OE1-NZ 3.93Å; E409-K412 PolarHBondContact OE1-NZ 3.02Å
413	T	98.4	Very high	98.4	Very high	11 Å²	11	25.2 Å²	25.2	7%	0.067	13%	0.134	C	C	.	.			trans	-114.3	134.7	-169.4	-63.1	0	0	0	0	110.2	S315 K317 F319 K407 G411	S315-T413 PolarHBondContact OG-OG1 2.92Å; K317-T413 WeakPolarHBondContact O-CG2 3.4Å; F319-T413 HydrophobicContact CD2-CG2 3.68Å; F319-T413 HydrophobicContact CE2-CG2 4.28Å; K407-T413 HydrophobicContact CD-CG2 4.22Å; K407-T413 HydrophobicContact CG-CG2 4.28Å; K407-T413 PolarHBondContact O-N 3.01Å; K407-T413 VanDerWaalsContact O-N 3.11Å; G411-T413 PolarHBondContact O-N 3.4Å; G411-T413 PolarHBondContact O-OG1 2.92Å
414	S	98.8	Very high	98.4	Very high	1 Å²	1	20 Å²	20	1%	0.007	12%	0.115	C	C	.	.			trans	-70.3	149.9	175.2	-59.8	0	0	0	0	111.3	T282 N312 L318 F319	T282-S414 PolarHBondContact N-OG 3.5Å; T282-S414 VanDerWaalsContact N-OG 3.1Å; T282-S414 CarbonylContact O-C 3.06Å; T282-S414 WeakPolarHBondContact O-CA 3.47Å; T282-S414 WeakPolarHBondContact OG1-CB 3.34Å; T282-S414 PolarHBondContact OG1-OG 3.32Å; N312-S414 WeakPolarHBondContact CB-OG 3.46Å; N312-S414 PolarHBondContact ND2-N 2.75Å; N312-S414 PolarHBondContact ND2-OG 2.78Å; L318-S414 WeakPolarHBondContact CD1-O 3.43Å; F319-S414 PolarHBondContact N-O 2.65Å
415	V	98.9	Very high	98.4	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	149.8	-177.2	-50.4	0	0	0	0	112.1	T282 V283 T284 F319 F321 I404 K407 V408 V417	T282-V415 PolarHBondContact O-N 3.35Å; V283-V415 HydrophobicContact CB-CG2 4.19Å; V283-V415 HydrophobicContact CG1-CG2 4.14Å; V283-V415 HydrophobicContact CG2-CG2 3.96Å; T284-V415 PolarHBondContact N-O 3.3Å; T284-V415 PolarHBondContact OG1-O 3.03Å; F319-V415 HydrophobicContact CB-CG1 4.16Å; F319-V415 CarbonylContact O-C 3.49Å; F319-V415 WeakPolarHBondContact O-CA 3.34Å; F321-V415 HydrophobicContact CD2-CB 4.06Å; F321-V415 HydrophobicContact CD2-CG1 4.22Å; F321-V415 HydrophobicContact CE2-CB 4.12Å; F321-V415 HydrophobicContact CE2-CG1 3.75Å; I404-V415 HydrophobicContact CG2-CG2 3.92Å; K407-V415 HydrophobicContact CB-CG1 4.07Å; K407-V415 HydrophobicContact CG-CG1 3.84Å; V408-V415 HydrophobicContact CG2-CG1 3.88Å; V408-V415 HydrophobicContact CG2-CG2 3.98Å; V415-V417 HydrophobicContact CG2-CG2 4.16Å
416	V	98.9	Very high	98.4	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	124.9	169.4	-176.2	0	0	0	0	108	P270 T284 C286 L305 L318 F319 I320 F321	P270-V416 HydrophobicContact CB-CG1 4.46Å; T284-V416 CarbonylContact O-C 3.58Å; T284-V416 WeakPolarHBondContact O-CA 3.23Å; T284-V416 WeakPolarHBondContact OG1-CA 3.29Å; T284-V416 WeakPolarHBondContact OG1-CG2 3.46Å; C286-V416 VanDerWaalsContact SG-CG1 3.52Å; L305-V416 HydrophobicContact CD2-CG2 3.93Å; L318-V416 HydrophobicContact CD1-CG2 4.17Å; L318-V416 HydrophobicContact CD2-CG2 3.74Å; L318-V416 HydrophobicContact CG-CG2 4.12Å; F319-V416 PolarHBondContact O-N 3.21Å; I320-V416 CarbonylContact C-O 3.2Å; I320-V416 WeakPolarHBondContact CA-O 3.43Å; I320-V416 HydrophobicContact CG1-CB 4.23Å; I320-V416 HydrophobicContact CG1-CG2 4.49Å; I320-V416 HydrophobicContact CG2-CB 4.4Å; F321-V416 PolarHBondContact N-O 3.2Å
417	V	98.9	Very high	98.4	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	122.8	-179.2	-172.1	0	0	0	0	109.2	V283 T284 R285 C286 I404 V415 T426 L429 T430	V283-V417 HydrophobicContact CG1-CG2 4.13Å; T284-V417 PolarHBondContact O-N 3.21Å; R285-V417 VanDerWaalsContact CA-O 3.32Å; R285-V417 WeakPolarHBondContact CA-O 3.48Å; C286-V417 PolarHBondContact N-O 3.03Å; C286-V417 VanDerWaalsContact N-O 3.15Å; I404-V417 HydrophobicContact CD1-CG1 3.99Å; I404-V417 HydrophobicContact CD1-CG2 3.69Å; I404-V417 HydrophobicContact CG1-CG2 4.15Å; I404-V417 HydrophobicContact CG2-CG2 4.41Å; V415-V417 HydrophobicContact CG2-CG2 4.16Å; V417-T426 HydrophobicContact CG1-CG2 4.26Å; V417-T426 WeakPolarHBondContact O-CG2 3.5Å; V417-L429 HydrophobicContact CG1-CB 3.82Å; V417-L429 HydrophobicContact CG1-CD1 3.85Å; V417-T430 HydrophobicContact CB-CG2 4.1Å; V417-T430 HydrophobicContact CG1-CG2 4.33Å; V417-T430 HydrophobicContact CG2-CG2 4.34Å
418	H	98.9	Very high	98.5	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	173.9	175.3	74	90.7	0	0	0	112.6	C286 I320 F321 D322 A323 E340 T426	C286-H418 WeakPolarHBondContact O-CA 3.3Å; C286-H418 WeakPolarHBondContact O-CB 3.21Å; C286-H418 VanDerWaalsContact SG-CB 3.59Å; I320-H418 VanDerWaalsContact CG2-CD2 3.5Å; I320-H418 WeakPolarHBondContact CG2-CD2 3.38Å; I320-H418 WeakPolarHBondContact CG2-NE2 3.49Å; F321-H418 PolarHBondContact O-N 3.28Å; D322-H418 IonicContact OD2-CE1 2.67Å; D322-H418 PolarHBondContact OD2-CE1 3.19Å; A323-H418 PolarHBondContact N-O 2.68Å; E340-H418 IonicContact OE1-NE2 3.6Å; E340-H418 IonicContact OE2-CE1 2.96Å; E340-H418 IonicContact OE2-NE2 2.92Å; E340-H418 PolarHBondContact OE2-NE2 3.24Å; E340-H418 VanDerWaalsContact OE2-NE2 3.14Å; H418-T426 VanDerWaalsContact C-OG1 3.29Å; H418-T426 WeakPolarHBondContact CA-OG1 3.02Å
419	C	98.1	Very high	98.5	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.014	9%	0.091	C	C	.	.			trans	-142.7	-140.7	168.2	63	0	0	0	0	107.5	Q288 A323 R324 G422 R425 T426	Q288-C419 WeakPolarHBondContact CB-O 3.47Å; Q288-C419 PolarHBondContact N-O 3.25Å; A323-C419 HydrophobicContact CB-CB 3.77Å; R324-C419 HydrophobicContact CG-CB 4.37Å; C419-G422 PolarHBondContact SG-N 3.32Å; C419-R425 HydrophobicContact CB-CB 4.25Å; C419-T426 PolarHBondContact N-OG1 3Å; C419-T426 PolarHBondContact SG-OG1 2.73Å
420	S	98.5	Very high	98.5	Very high	14 Å²	14	13.2 Å²	13.2	10%	0.098	8%	0.081	C	C	.	.	S	Bend	trans	-69.3	-66.5	170.2	-68.4	0	0	0	0	111.5	Q288 R324 N332	Q288-S420 VanDerWaalsContact CG-O 3.27Å; Q288-S420 WeakPolarHBondContact CG-O 3.35Å; Q288-S420 PolarHBondContact N-O 3.46Å; Q288-S420 VanDerWaalsContact N-O 3.09Å; Q288-S420 PolarHBondContact NE2-O 3.24Å; R324-S420 WeakPolarHBondContact CD-OG 3.26Å; R324-S420 PolarHBondContact NH1-OG 3.48Å; N332-S420 PolarHBondContact ND2-OG 2.98Å; N332-S420 PolarHBondContact OD1-OG 3.09Å; N332-S420 VanDerWaalsContact OD1-OG 3.05Å
421	D	98.3	Very high	98.6	Very high	44 Å²	44	9.8 Å²	9.8	24%	0.235	6%	0.057	C	C	.	.	S	Bend	trans	-97.9	-13	-173.5	-69.4	-35.8	0	0	0	114	K266 R268 W423	K266-D421 IonicContact NZ-OD1 3.44Å; K266-D421 PolarHBondContact NZ-OD1 2.94Å; K266-D421 IonicContact NZ-OD2 3.81Å; K266-D421 PolarHBondContact NZ-OD2 2.82Å; R268-D421 WeakPolarHBondContact CD-O 3.47Å; R268-D421 PolarHBondContact NE-O 3.25Å; D421-W423 HydrophobicContact CB-CD2 3.68Å; D421-W423 VanDerWaalsContact CB-CE2 3.41Å; D421-W423 HydrophobicContact CB-CE3 4.18Å; D421-W423 HydrophobicContact CB-CG 4.16Å; D421-W423 HydrophobicContact CB-CH2 4.32Å; D421-W423 HydrophobicContact CB-CZ2 3.75Å; D421-W423 HydrophobicContact CB-CZ3 4.48Å; D421-W423 PolarHBondContact O-N 3.19Å; D421-W423 VanDerWaalsContact OD2-CZ2 3.26Å; D421-W423 WeakPolarHBondContact OD2-CZ2 3.47Å
422	G	98.2	Very high	98.7	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.04	C	C	.	.	S	Bend	trans	76.3	14.7	177.4	0	0	0	0	0	116.1	R268 R285 C286 C419 T426	R268-G422 PolarHBondContact NH2-O 3.36Å; R285-G422 PolarHBondContact NH2-O 3.09Å; C286-G422 VanDerWaalsContact O-CA 3.23Å; C286-G422 WeakPolarHBondContact O-CA 3.23Å; C419-G422 PolarHBondContact SG-N 3.32Å; G422-T426 WeakPolarHBondContact CA-OG1 3.46Å
423	W	98.4	Very high	98.7	Very high	7 Å²	7	5.1 Å²	5.1	3%	0.027	3%	0.027	C	C	.	.	S	Bend	trans	-125.8	-6.9	-177.6	60.3	46.3	0	0	0	115.8	T241 K266 D421 H460 R461	T241-W423 HydrophobicContact CG2-CZ3 4.18Å; K266-W423 HydrophobicContact CD-CE3 4.46Å; K266-W423 HydrophobicContact CD-CH2 3.59Å; K266-W423 HydrophobicContact CD-CZ3 3.5Å; K266-W423 VanDerWaalsContact CD-CZ3 3.5Å; K266-W423 VanDerWaalsContact CE-CH2 3.5Å; D421-W423 HydrophobicContact CB-CD2 3.68Å; D421-W423 VanDerWaalsContact CB-CE2 3.41Å; D421-W423 HydrophobicContact CB-CE3 4.18Å; D421-W423 HydrophobicContact CB-CG 4.16Å; D421-W423 HydrophobicContact CB-CH2 4.32Å; D421-W423 HydrophobicContact CB-CZ2 3.75Å; D421-W423 HydrophobicContact CB-CZ3 4.48Å; D421-W423 PolarHBondContact O-N 3.19Å; D421-W423 VanDerWaalsContact OD2-CZ2 3.26Å; D421-W423 WeakPolarHBondContact OD2-CZ2 3.47Å; W423-H460 PolarHBondContact O-ND1 3.44Å; W423-R461 HydrophobicContact CD2-CG 4.26Å; W423-R461 VanDerWaalsContact CZ2-CD 3.44Å; W423-R461 HydrophobicContact CZ2-CG 4.35Å
424	D	98.8	Very high	98.8	Very high	8 Å²	8	4.6 Å²	4.6	4%	0.043	2%	0.024	C	C	.	.	S	Bend	trans	-107.6	-88.7	179	-70	-54	0	0	0	109.7	T426 A427 Q428 H460 R465 V481	D424-T426 VanDerWaalsContact C-N 3.26Å; D424-T426 PolarHBondContact O-N 3.49Å; D424-A427 WeakPolarHBondContact O-CB 3.44Å; D424-A427 PolarHBondContact O-N 3.4Å; D424-Q428 PolarHBondContact O-N 3.05Å; D424-Q428 VanDerWaalsContact O-N 3.14Å; D424-H460 IonicContact OD1-CE1 2.73Å; D424-H460 PolarHBondContact OD1-CE1 3.18Å; D424-H460 IonicContact OD1-ND1 2.79Å; D424-H460 PolarHBondContact OD1-ND1 3.4Å; D424-R465 IonicContact OD1-CZ 3.03Å; D424-R465 IonicContact OD1-NE 3.87Å; D424-R465 PolarHBondContact OD1-NE 3.01Å; D424-R465 IonicContact OD1-NH2 2.77Å; D424-R465 PolarHBondContact OD1-NH2 2.85Å; D424-R465 IonicContact OD2-CZ 3.82Å; D424-R465 IonicContact OD2-NE 3.95Å; D424-R465 IonicContact OD2-NH2 2.65Å; D424-R465 PolarHBondContact OD2-NH2 3.46Å; D424-V481 HydrophobicContact CB-CG1 3.94Å; D424-V481 HydrophobicContact CB-CG2 4.3Å
425	R	98.9	Very high	98.8	Very high	20 Å²	20	4.6 Å²	4.6	8%	0.075	2%	0.024	C	C	.	.	H	α-helix	trans	-60.2	-35.4	179.8	-68.5	161.6	-76.1	-167.7	-1.1	113	A323 I355 H356 C419 A427 Q428 L429	A323-R425 HydrophobicContact CB-CB 3.57Å; A323-R425 HydrophobicContact CB-CG 4.38Å; I355-R425 HydrophobicContact CB-CG 4.32Å; I355-R425 HydrophobicContact CG2-CG 3.73Å; I355-R425 VanDerWaalsContact O-CD 3.29Å; I355-R425 WeakPolarHBondContact O-CD 3.4Å; I355-R425 PolarHBondContact O-NH1 3.07Å; H356-R425 WeakPolarHBondContact O-CD 3.37Å; H356-R425 PolarHBondContact O-NH1 2.61Å; C419-R425 HydrophobicContact CB-CB 4.25Å; R425-A427 VanDerWaalsContact C-N 3.32Å; R425-A427 PolarHBondContact O-N 3.46Å; R425-Q428 WeakPolarHBondContact O-CB 3.35Å; R425-Q428 PolarHBondContact O-N 3.4Å; R425-L429 WeakPolarHBondContact O-CB 3.34Å; R425-L429 VanDerWaalsContact O-CG 3.26Å; R425-L429 WeakPolarHBondContact O-CG 3.42Å; R425-L429 PolarHBondContact O-N 3.07Å
426	T	98.9	Very high	98.7	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-60.9	-42.2	174.6	-56.8	0	0	0	0	111.4	R285 V417 H418 C419 G422 D424 L429 T430	R285-T426 HydrophobicContact CB-CG2 3.78Å; V417-T426 HydrophobicContact CG1-CG2 4.26Å; V417-T426 WeakPolarHBondContact O-CG2 3.5Å; H418-T426 VanDerWaalsContact C-OG1 3.29Å; H418-T426 WeakPolarHBondContact CA-OG1 3.02Å; C419-T426 PolarHBondContact N-OG1 3Å; C419-T426 PolarHBondContact SG-OG1 2.73Å; G422-T426 WeakPolarHBondContact CA-OG1 3.46Å; D424-T426 VanDerWaalsContact C-N 3.26Å; D424-T426 PolarHBondContact O-N 3.49Å; T426-L429 PolarHBondContact O-N 3.37Å; T426-T430 HydrophobicContact CG2-CG2 4.38Å; T426-T430 WeakPolarHBondContact O-CG2 3.32Å; T426-T430 PolarHBondContact O-N 3Å; T426-T430 PolarHBondContact O-OG1 3.29Å; T426-T430 VanDerWaalsContact O-OG1 3.07Å
427	A	98.9	Very high	98.7	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-66.6	-38.6	177	0	0	0	0	0	111.8	D424 R425 S431 W455	D424-A427 WeakPolarHBondContact O-CB 3.44Å; D424-A427 PolarHBondContact O-N 3.4Å; R425-A427 VanDerWaalsContact C-N 3.32Å; R425-A427 PolarHBondContact O-N 3.46Å; A427-S431 WeakPolarHBondContact O-CB 3.37Å; A427-S431 PolarHBondContact O-N 2.95Å; A427-S431 VanDerWaalsContact O-N 3.12Å; A427-S431 PolarHBondContact O-OG 3.4Å; A427-W455 HydrophobicContact CB-CD2 4.05Å; A427-W455 HydrophobicContact CB-CE3 4.11Å; A427-W455 HydrophobicContact CB-CH2 4.28Å; A427-W455 HydrophobicContact CB-CZ2 4.18Å; A427-W455 HydrophobicContact CB-CZ3 4.24Å
428	Q	98.9	Very high	98.7	Very high	1 Å²	1	6.1 Å²	6.1	1%	0.005	3%	0.032	C	C	.	.	H	α-helix	trans	-58.4	-52.5	172.5	-64.9	173.8	-44	0	0	111	I397 D424 R425 L432 W455 V481 F485	I397-Q428 HydrophobicContact CG2-CB 4.07Å; D424-Q428 PolarHBondContact O-N 3.05Å; D424-Q428 VanDerWaalsContact O-N 3.14Å; R425-Q428 WeakPolarHBondContact O-CB 3.35Å; R425-Q428 PolarHBondContact O-N 3.4Å; Q428-L432 WeakPolarHBondContact O-CB 3.34Å; Q428-L432 WeakPolarHBondContact O-CD1 3.49Å; Q428-L432 VanDerWaalsContact O-CG 3.26Å; Q428-L432 WeakPolarHBondContact O-CG 3.44Å; Q428-L432 PolarHBondContact O-N 2.9Å; Q428-W455 HydrophobicContact CG-CH2 3.65Å; Q428-W455 HydrophobicContact CG-CZ2 4.09Å; Q428-V481 HydrophobicContact CG-CG1 4.01Å; Q428-V481 PolarHBondContact NE2-O 2.6Å; Q428-F485 HydrophobicContact CG-CB 4.32Å
429	L	99	Very high	98.6	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-66.3	-48.7	-174.6	-72.4	171.6	0	0	0	112.7	A323 L353 I355 A401 I404 V417 R425 T426 S433	A323-L429 HydrophobicContact CB-CD1 3.56Å; L353-L429 HydrophobicContact CD1-CD1 3.55Å; L353-L429 HydrophobicContact CD1-CD2 3.91Å; L353-L429 HydrophobicContact CD1-CG 4.4Å; I355-L429 HydrophobicContact CD1-CD1 4.17Å; I355-L429 HydrophobicContact CD1-CD2 3.81Å; I355-L429 HydrophobicContact CD1-CG 4.16Å; A401-L429 HydrophobicContact CB-CD2 4.46Å; I404-L429 HydrophobicContact CD1-CB 3.85Å; I404-L429 HydrophobicContact CD1-CD1 4.39Å; I404-L429 HydrophobicContact CD1-CD2 4.17Å; I404-L429 HydrophobicContact CD1-CG 4.37Å; V417-L429 HydrophobicContact CG1-CB 3.82Å; V417-L429 HydrophobicContact CG1-CD1 3.85Å; R425-L429 WeakPolarHBondContact O-CB 3.34Å; R425-L429 VanDerWaalsContact O-CG 3.26Å; R425-L429 WeakPolarHBondContact O-CG 3.42Å; R425-L429 PolarHBondContact O-N 3.07Å; T426-L429 PolarHBondContact O-N 3.37Å; L429-S433 WeakPolarHBondContact O-CB 3.47Å; L429-S433 PolarHBondContact O-N 2.89Å; L429-S433 PolarHBondContact O-OG 2.85Å
430	T	98.9	Very high	98.6	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-62.8	-51.6	179	56.7	0	0	0	0	110	V283 R285 V417 T426 L432 S433 L434 E454	V283-T430 HydrophobicContact CG1-CG2 4.01Å; R285-T430 HydrophobicContact CB-CG2 4.03Å; R285-T430 PolarHBondContact NH1-OG1 2.72Å; V417-T430 HydrophobicContact CB-CG2 4.1Å; V417-T430 HydrophobicContact CG1-CG2 4.33Å; V417-T430 HydrophobicContact CG2-CG2 4.34Å; T426-T430 HydrophobicContact CG2-CG2 4.38Å; T426-T430 WeakPolarHBondContact O-CG2 3.32Å; T426-T430 PolarHBondContact O-N 3Å; T426-T430 PolarHBondContact O-OG1 3.29Å; T426-T430 VanDerWaalsContact O-OG1 3.07Å; T430-L432 VanDerWaalsContact C-N 3.34Å; T430-L432 PolarHBondContact O-N 3.01Å; T430-S433 PolarHBondContact O-N 3.38Å; T430-S433 VanDerWaalsContact O-N 3.14Å; T430-L434 WeakPolarHBondContact O-CB 3.42Å; T430-L434 WeakPolarHBondContact O-CD1 3.39Å; T430-L434 PolarHBondContact O-N 3.34Å; T430-E454 VanDerWaalsContact CB-OE2 3.26Å; T430-E454 WeakPolarHBondContact CB-OE2 3.43Å; T430-E454 PolarHBondContact OG1-OE2 3.25Å
431	S	98.9	Very high	98.6	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-58.7	-42.9	-177.2	-52.4	0	0	0	0	113.1	A427 L434 L435 E454 W455 F485	A427-S431 WeakPolarHBondContact O-CB 3.37Å; A427-S431 PolarHBondContact O-N 2.95Å; A427-S431 VanDerWaalsContact O-N 3.12Å; A427-S431 PolarHBondContact O-OG 3.4Å; S431-L434 PolarHBondContact O-N 2.71Å; S431-L435 WeakPolarHBondContact O-CG 3.43Å; S431-L435 PolarHBondContact O-N 3.5Å; S431-E454 WeakPolarHBondContact OG-CB 3.25Å; S431-W455 PolarHBondContact OG-NE1 2.79Å; S431-F485 VanDerWaalsContact CB-CE2 3.41Å
432	L	98.9	Very high	98.6	Very high	0 Å²	0	7 Å²	7	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-68.5	-39.4	177.8	-72.5	167.4	0	0	0	112.4	I397 L398 A401 Q428 T430 L434 L435 M436 F485 C488 V489 L492	I397-L432 HydrophobicContact CG2-CD1 3.46Å; I397-L432 VanDerWaalsContact CG2-CD1 3.46Å; L398-L432 HydrophobicContact CD2-CD1 4.43Å; L398-L432 HydrophobicContact CD2-CD2 4.37Å; A401-L432 HydrophobicContact CB-CB 3.46Å; A401-L432 VanDerWaalsContact CB-CB 3.46Å; A401-L432 HydrophobicContact CB-CD1 4.34Å; Q428-L432 WeakPolarHBondContact O-CB 3.34Å; Q428-L432 WeakPolarHBondContact O-CD1 3.49Å; Q428-L432 VanDerWaalsContact O-CG 3.26Å; Q428-L432 WeakPolarHBondContact O-CG 3.44Å; Q428-L432 PolarHBondContact O-N 2.9Å; T430-L432 VanDerWaalsContact C-N 3.34Å; T430-L432 PolarHBondContact O-N 3.01Å; L432-L434 VanDerWaalsContact C-N 3.31Å; L432-L434 PolarHBondContact O-N 3.24Å; L432-L435 HydrophobicContact CD2-CD1 4.44Å; L432-L435 PolarHBondContact O-N 3.25Å; L432-M436 WeakPolarHBondContact O-CG 3.45Å; L432-M436 PolarHBondContact O-N 2.83Å; L432-M436 VanDerWaalsContact O-N 3.09Å; L432-F485 HydrophobicContact CD1-CD2 4.39Å; L432-F485 HydrophobicContact CD2-CD2 4.01Å; L432-F485 HydrophobicContact CD2-CE2 3.92Å; L432-F485 HydrophobicContact CG-CD2 3.82Å; L432-F485 HydrophobicContact CG-CE2 3.9Å; L432-C488 HydrophobicContact CD1-CB 3.66Å; L432-C488 HydrophobicContact CD2-CB 3.63Å; L432-C488 HydrophobicContact CG-CB 4.29Å; L432-V489 HydrophobicContact CD2-CG2 4.06Å; L432-L492 HydrophobicContact CD2-CD1 4.25Å
433	S	98.9	Very high	98.7	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-63.8	-42.1	175.8	-51.5	0	0	0	0	110.8	A401 I404 L429 T430 L435 M436 L437	A401-S433 WeakPolarHBondContact CA-OG 3.44Å; A401-S433 PolarHBondContact O-OG 3.22Å; I404-S433 WeakPolarHBondContact CB-OG 3.49Å; I404-S433 VanDerWaalsContact CG2-OG 3.25Å; I404-S433 WeakPolarHBondContact CG2-OG 3.35Å; L429-S433 WeakPolarHBondContact O-CB 3.47Å; L429-S433 PolarHBondContact O-N 2.89Å; L429-S433 PolarHBondContact O-OG 2.85Å; T430-S433 PolarHBondContact O-N 3.38Å; T430-S433 VanDerWaalsContact O-N 3.14Å; S433-L435 VanDerWaalsContact C-N 3.33Å; S433-L435 PolarHBondContact O-N 3.21Å; S433-M436 WeakPolarHBondContact O-CB 3.41Å; S433-M436 PolarHBondContact O-N 3.48Å; S433-M436 VanDerWaalsContact O-N 3.15Å; S433-L437 WeakPolarHBondContact O-CB 3.44Å; S433-L437 WeakPolarHBondContact O-CD1 3.48Å; S433-L437 WeakPolarHBondContact O-CG 3.45Å; S433-L437 PolarHBondContact O-N 3.31Å
434	L	98.8	Very high	98.7	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-62.2	-39.3	176.7	-89.7	65.4	0	0	0	111.4	W274 V283 T430 S431 L432 M436 L437 D438 Y441 L450 E454	W274-L434 HydrophobicContact CB-CD1 3.77Å; W274-L434 HydrophobicContact CB-CD2 4.05Å; W274-L434 HydrophobicContact CB-CG 3.78Å; W274-L434 HydrophobicContact CG-CD1 4.43Å; W274-L434 HydrophobicContact CG-CG 4.07Å; V283-L434 HydrophobicContact CB-CD1 4.36Å; V283-L434 HydrophobicContact CG1-CD1 4.26Å; V283-L434 HydrophobicContact CG2-CD1 4.45Å; T430-L434 WeakPolarHBondContact O-CB 3.42Å; T430-L434 WeakPolarHBondContact O-CD1 3.39Å; T430-L434 PolarHBondContact O-N 3.34Å; S431-L434 PolarHBondContact O-N 2.71Å; L432-L434 VanDerWaalsContact C-N 3.31Å; L432-L434 PolarHBondContact O-N 3.24Å; L434-M436 VanDerWaalsContact C-N 3.31Å; L434-M436 PolarHBondContact O-N 3.37Å; L434-L437 PolarHBondContact O-N 2.89Å; L434-D438 PolarHBondContact O-N 3Å; L434-Y441 HydrophobicContact CB-CD2 3.74Å; L434-Y441 HydrophobicContact CB-CE2 3.74Å; L434-Y441 HydrophobicContact CD2-CD2 4.42Å; L434-Y441 HydrophobicContact CD2-CE2 3.64Å; L434-Y441 HydrophobicContact CG-CD2 4.36Å; L434-Y441 HydrophobicContact CG-CE2 3.83Å; L434-L450 HydrophobicContact CB-CD1 4.05Å; L434-L450 HydrophobicContact CD2-CD1 3.9Å; L434-E454 HydrophobicContact CD2-CG 4.06Å
435	L	98.6	Very high	98.7	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-65.2	-33.6	173.7	-74.8	165.5	0	0	0	113.4	S431 L432 S433 Y441 R442 F447 L450 F485 V489 F500	S431-L435 WeakPolarHBondContact O-CG 3.43Å; S431-L435 PolarHBondContact O-N 3.5Å; L432-L435 HydrophobicContact CD2-CD1 4.44Å; L432-L435 PolarHBondContact O-N 3.25Å; S433-L435 VanDerWaalsContact C-N 3.33Å; S433-L435 PolarHBondContact O-N 3.21Å; L435-Y441 WeakPolarHBondContact CD2-O 3.48Å; L435-R442 HydrophobicContact CD2-CG 4.19Å; L435-R442 WeakPolarHBondContact O-CD 3.45Å; L435-R442 PolarHBondContact O-NE 3.38Å; L435-F447 HydrophobicContact CD1-CD2 4.42Å; L435-F447 HydrophobicContact CD1-CE2 3.94Å; L435-F447 HydrophobicContact CD2-CD2 3.87Å; L435-F447 HydrophobicContact CD2-CE2 4.22Å; L435-L450 HydrophobicContact CD1-CD2 3.82Å; L435-L450 HydrophobicContact CD2-CD2 3.77Å; L435-L450 HydrophobicContact CG-CD2 3.55Å; L435-F485 HydrophobicContact CD1-CE2 4.15Å; L435-F485 HydrophobicContact CD1-CZ 4.08Å; L435-V489 HydrophobicContact CD1-CG2 3.67Å; L435-F500 HydrophobicContact CD2-CE1 4.27Å
436	M	98.7	Very high	98.7	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-71	-40.1	175.3	-67.8	173.3	-163.1	0	0	111.1	L398 A401 L402 A405 L432 S433 L434 L492 V565 L566 P568	L398-M436 HydrophobicContact CD2-CE 4.23Å; A401-M436 HydrophobicContact CB-CE 3.85Å; A401-M436 HydrophobicContact CB-SD 4.49Å; L402-M436 HydrophobicContact CB-SD 4.43Å; L402-M436 HydrophobicContact CD1-SD 4.34Å; A405-M436 HydrophobicContact CB-CB 3.98Å; A405-M436 HydrophobicContact CB-SD 4.02Å; L432-M436 WeakPolarHBondContact O-CG 3.45Å; L432-M436 PolarHBondContact O-N 2.83Å; L432-M436 VanDerWaalsContact O-N 3.09Å; S433-M436 WeakPolarHBondContact O-CB 3.41Å; S433-M436 PolarHBondContact O-N 3.48Å; S433-M436 VanDerWaalsContact O-N 3.15Å; L434-M436 VanDerWaalsContact C-N 3.31Å; L434-M436 PolarHBondContact O-N 3.37Å; M436-L492 HydrophobicContact CE-CD1 4.42Å; M436-L492 HydrophobicContact CE-CD2 4.24Å; M436-V565 CarbonylContact O-C 3.56Å; M436-V565 VanDerWaalsContact O-CA 3.28Å; M436-V565 WeakPolarHBondContact O-CA 3.44Å; M436-V565 WeakPolarHBondContact O-CG1 3.31Å; M436-L566 WeakPolarHBondContact CB-O 3.43Å; M436-L566 WeakPolarHBondContact CG-O 3.12Å; M436-L566 PolarHBondContact O-N 2.9Å; M436-P568 HydrophobicContact CE-CG 3.91Å; M436-P568 HydrophobicContact SD-CG 4.4Å
437	L	98.5	Very high	98.7	Very high	12 Å²	12	10.4 Å²	10.4	6%	0.063	5%	0.047	C	C	.	.	H	α-helix	trans	-84.2	-39.6	-172.6	-67.9	166.6	0	0	0	114	W274 V283 A405 V408 E409 S433 L434 V565	W274-L437 HydrophobicContact CE3-CD1 4.02Å; W274-L437 HydrophobicContact CH2-CB 3.88Å; W274-L437 HydrophobicContact CH2-CD1 4.31Å; W274-L437 HydrophobicContact CH2-CG 4.48Å; W274-L437 HydrophobicContact CZ2-CB 4.05Å; W274-L437 HydrophobicContact CZ3-CB 4.26Å; W274-L437 HydrophobicContact CZ3-CD1 3.84Å; W274-L437 HydrophobicContact CZ3-CG 4.46Å; V283-L437 HydrophobicContact CG2-CD1 4.39Å; A405-L437 HydrophobicContact CB-CD1 4.42Å; A405-L437 HydrophobicContact CB-CD2 4.13Å; A405-L437 HydrophobicContact CB-CG 4.03Å; V408-L437 HydrophobicContact CB-CD1 4.26Å; V408-L437 HydrophobicContact CG1-CD1 4.11Å; V408-L437 HydrophobicContact CG1-CD2 4.44Å; E409-L437 HydrophobicContact CB-CD2 3.85Å; S433-L437 WeakPolarHBondContact O-CB 3.44Å; S433-L437 WeakPolarHBondContact O-CD1 3.48Å; S433-L437 WeakPolarHBondContact O-CG 3.45Å; S433-L437 PolarHBondContact O-N 3.31Å; L434-L437 PolarHBondContact O-N 2.89Å; L437-V565 HydrophobicContact CD2-CG1 4.24Å
438	D	98.1	Very high	98.7	Very high	20 Å²	20	10.4 Å²	10.4	11%	0.107	5%	0.047	C	C	.	.			trans	-117.8	117.8	-167.4	-166.7	-24.1	0	0	0	111.7	R219 W274 L434 Y440 Y441	R219-D438 IonicContact CZ-OD2 3.85Å; R219-D438 VanDerWaalsContact CZ-OD2 3.3Å; R219-D438 IonicContact NH1-OD1 2.71Å; R219-D438 PolarHBondContact NH1-OD1 3.07Å; R219-D438 IonicContact NH1-OD2 3.4Å; R219-D438 PolarHBondContact NH1-OD2 2.99Å; R219-D438 IonicContact NH2-OD2 3.12Å; R219-D438 PolarHBondContact NH2-OD2 3.48Å; W274-D438 HydrophobicContact CZ2-CB 4.25Å; W274-D438 PolarHBondContact NE1-OD2 3.16Å; L434-D438 PolarHBondContact O-N 3Å; D438-Y440 PolarHBondContact O-N 3.25Å; D438-Y440 WeakPolarHBondContact OD1-CB 3.3Å; D438-Y440 PolarHBondContact OD1-N 3.02Å; D438-Y441 HydrophobicContact CB-CD2 3.72Å; D438-Y441 HydrophobicContact CB-CE2 4.01Å; D438-Y441 PolarHBondContact O-N 2.85Å
439	G	97.9	Very high	98.7	Very high	6 Å²	6	10.5 Å²	10.5	6%	0.062	5%	0.048	C	C	.	.	S	Bend	trans	-59.8	-27.1	176.1	0	0	0	0	0	114.6	Y441 R442	G439-Y441 PolarHBondContact O-N 3.4Å; G439-R442 PolarHBondContact O-N 3.34Å
440	Y	98.1	Very high	98.6	Very high	68 Å²	68	10.5 Å²	10.5	27%	0.267	5%	0.048	S	C	.	.	G	3₁₀ helix	trans	-58.9	-48.4	178.2	171.6	-111.4	0	0	0	111.5	E216 R219 D438 R442 T443 G446 V449	E216-Y440 WeakPolarHBondContact OE2-CE1 3.32Å; R219-Y440 VanDerWaalsContact NE-CD1 3.27Å; D438-Y440 PolarHBondContact O-N 3.25Å; D438-Y440 WeakPolarHBondContact OD1-CB 3.3Å; D438-Y440 PolarHBondContact OD1-N 3.02Å; Y440-R442 PolarHBondContact O-N 2.85Å; Y440-T443 WeakPolarHBondContact O-CB 3.48Å; Y440-T443 PolarHBondContact O-N 2.99Å; Y440-T443 PolarHBondContact O-OG1 3.28Å; Y440-G446 WeakPolarHBondContact O-CA 3.44Å; Y440-V449 HydrophobicContact CE1-CB 4.26Å; Y440-V449 HydrophobicContact CE1-CG1 4.06Å; Y440-V449 WeakPolarHBondContact OH-CG2 3.43Å
441	Y	98.6	Very high	98.6	Very high	1 Å²	1	10.5 Å²	10.5	0%	0.004	5%	0.048	C	C	.	.	G	3₁₀ helix	trans	-68.2	-8.1	-177.1	-59.4	-50.5	0	0	0	114	E216 R219 Q220 W274 L434 L435 D438 G439 G446 F447 V449 L450	E216-Y441 WeakPolarHBondContact OE1-CE1 3.23Å; E216-Y441 VanDerWaalsContact OE1-CZ 3.32Å; E216-Y441 PolarHBondContact OE1-OH 3.2Å; R219-Y441 PolarHBondContact NH2-OH 3.2Å; Q220-Y441 PolarHBondContact NE2-OH 2.73Å; Q220-Y441 VanDerWaalsContact NE2-OH 3.14Å; W274-Y441 AromaticContact CD1-CE2 3.92Å; L434-Y441 HydrophobicContact CB-CD2 3.74Å; L434-Y441 HydrophobicContact CB-CE2 3.74Å; L434-Y441 HydrophobicContact CD2-CD2 4.42Å; L434-Y441 HydrophobicContact CD2-CE2 3.64Å; L434-Y441 HydrophobicContact CG-CD2 4.36Å; L434-Y441 HydrophobicContact CG-CE2 3.83Å; L435-Y441 WeakPolarHBondContact CD2-O 3.48Å; D438-Y441 HydrophobicContact CB-CD2 3.72Å; D438-Y441 HydrophobicContact CB-CE2 4.01Å; D438-Y441 PolarHBondContact O-N 2.85Å; G439-Y441 PolarHBondContact O-N 3.4Å; Y441-G446 WeakPolarHBondContact CD1-O 3.4Å; Y441-F447 WeakPolarHBondContact O-CA 3.43Å; Y441-F447 WeakPolarHBondContact O-CB 3.42Å; Y441-F447 PolarHBondContact O-N 2.78Å; Y441-V449 HydrophobicContact CE1-CG1 4.43Å; Y441-L450 HydrophobicContact CD1-CB 3.86Å; Y441-L450 HydrophobicContact CD1-CD1 4.09Å; Y441-L450 HydrophobicContact CD2-CD1 4.18Å; Y441-L450 HydrophobicContact CE1-CB 4.44Å; Y441-L450 HydrophobicContact CE1-CD1 4.27Å; Y441-L450 HydrophobicContact CE2-CD1 4.34Å; Y441-L450 HydrophobicContact CG-CB 4.27Å; Y441-L450 HydrophobicContact CG-CD1 4.04Å
442	R	98.6	Very high	98.6	Very high	3 Å²	3	11.4 Å²	11.4	1%	0.011	5%	0.052	C	C	.	.	G	3₁₀ helix	trans	-90.9	-6.9	174.6	-61	-178.1	-88.2	147.4	-6.8	113.3	L435 G439 Y440 A499 F500 E501 Q564	L435-R442 HydrophobicContact CD2-CG 4.19Å; L435-R442 WeakPolarHBondContact O-CD 3.45Å; L435-R442 PolarHBondContact O-NE 3.38Å; G439-R442 PolarHBondContact O-N 3.34Å; Y440-R442 PolarHBondContact O-N 2.85Å; R442-A499 WeakPolarHBondContact CB-O 3.28Å; R442-F500 HydrophobicContact CB-CD1 3.83Å; R442-F500 HydrophobicContact CB-CE1 4.2Å; R442-F500 HydrophobicContact CB-CG 4.45Å; R442-F500 HydrophobicContact CG-CD1 3.79Å; R442-F500 HydrophobicContact CG-CE1 3.62Å; R442-F500 HydrophobicContact CG-CZ 4.27Å; R442-F500 WeakPolarHBondContact O-CA 3.26Å; R442-E501 PolarHBondContact O-N 2.92Å; R442-Q564 PolarHBondContact NH2-O 2.82Å
443	T	98.4	Very high	98.6	Very high	26 Å²	26	11.4 Å²	11.4	16%	0.16	5%	0.052	C	C	.	.	S	Bend	trans	-75.7	160	166.1	67.4	0	0	0	0	110.3	Y440 G446 F447 E501	Y440-T443 WeakPolarHBondContact O-CB 3.48Å; Y440-T443 PolarHBondContact O-N 2.99Å; Y440-T443 PolarHBondContact O-OG1 3.28Å; T443-G446 PolarHBondContact O-N 3.27Å; T443-G446 WeakPolarHBondContact OG1-CA 3.48Å; T443-G446 PolarHBondContact OG1-N 3.45Å; T443-F447 WeakPolarHBondContact O-CB 3.41Å; T443-F447 PolarHBondContact O-N 3.02Å; T443-E501 VanDerWaalsContact CA-OE2 3.31Å; T443-E501 WeakPolarHBondContact CA-OE2 3.47Å; T443-E501 VanDerWaalsContact CB-OE2 3.27Å; T443-E501 WeakPolarHBondContact CB-OE2 3.19Å
444	I	98.7	Very high	98.6	Very high	2 Å²	2	11.4 Å²	11.4	1%	0.01	5%	0.052	C	C	.	.	H	α-helix	trans	-56	-57	175.3	-70.4	168	0	0	0	109	G446 F447 E448 E501 F502 F506 I546 L550 F553	I444-G446 PolarHBondContact O-N 2.64Å; I444-F447 PolarHBondContact O-N 2.99Å; I444-E448 VanDerWaalsContact O-CG 3.29Å; I444-E448 WeakPolarHBondContact O-CG 3.42Å; I444-E448 PolarHBondContact O-N 2.83Å; I444-E501 HydrophobicContact CD1-CG 4.07Å; I444-E501 HydrophobicContact CG1-CB 4.27Å; I444-E501 HydrophobicContact CG1-CG 4Å; I444-E501 PolarHBondContact N-OE2 3.06Å; I444-F502 HydrophobicContact CG1-CB 3.91Å; I444-F506 HydrophobicContact CG2-CE2 4.07Å; I444-I546 HydrophobicContact CG2-CG2 4.46Å; I444-L550 HydrophobicContact CB-CD2 4.49Å; I444-L550 HydrophobicContact CD1-CD2 3.87Å; I444-L550 HydrophobicContact CG2-CD2 3.84Å; I444-F553 HydrophobicContact CD1-CB 4.41Å
445	R	98.6	Very high	98.7	Very high	79 Å²	79	11.4 Å²	11.4	30%	0.298	5%	0.052	S	C	.	.	H	α-helix	trans	-62.6	-40	-179.2	-62.2	-60.4	-173.5	150.8	7.8	113	E205 F447 E448 V449 N547	E205-R445 IonicContact OE1-NH2 2.73Å; E205-R445 PolarHBondContact OE1-NH2 2.94Å; E205-R445 IonicContact OE2-CZ 3.47Å; E205-R445 IonicContact OE2-NH1 3.01Å; E205-R445 PolarHBondContact OE2-NH1 3.01Å; E205-R445 IonicContact OE2-NH2 3.69Å; E205-R445 PolarHBondContact OE2-NH2 3.07Å; R445-F447 VanDerWaalsContact C-N 3.32Å; R445-F447 PolarHBondContact O-N 2.71Å; R445-E448 VanDerWaalsContact CD-OE2 3.27Å; R445-E448 WeakPolarHBondContact CD-OE2 3.43Å; R445-E448 WeakPolarHBondContact O-CB 3.5Å; R445-E448 PolarHBondContact O-N 3.4Å; R445-V449 WeakPolarHBondContact O-CG2 3.28Å; R445-V449 PolarHBondContact O-N 2.66Å; R445-N547 WeakPolarHBondContact CD-OD1 2.82Å; R445-N547 VanDerWaalsContact CZ-CB 3.49Å; R445-N547 PolarHBondContact NE-OD1 3.13Å; R445-N547 PolarHBondContact NH1-ND2 2.7Å; R445-N547 PolarHBondContact NH1-OD1 3.18Å
446	G	98.7	Very high	98.7	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-66.1	-36.2	177.8	0	0	0	0	0	112.2	Y440 Y441 T443 I444 V449 L450	Y440-G446 WeakPolarHBondContact O-CA 3.44Å; Y441-G446 WeakPolarHBondContact CD1-O 3.4Å; T443-G446 PolarHBondContact O-N 3.27Å; T443-G446 WeakPolarHBondContact OG1-CA 3.48Å; T443-G446 PolarHBondContact OG1-N 3.45Å; I444-G446 PolarHBondContact O-N 2.64Å; G446-V449 PolarHBondContact O-N 3.17Å; G446-L450 WeakPolarHBondContact O-CB 3.34Å; G446-L450 PolarHBondContact O-N 2.88Å
447	F	98.9	Very high	98.7	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-66.7	-39.7	173.9	-167.3	-97.1	0	0	0	112.1	L435 Y441 T443 I444 R445 V449 L450 L451 F485 I486 V489 F502 F506 L507 I510	L435-F447 HydrophobicContact CD1-CD2 4.42Å; L435-F447 HydrophobicContact CD1-CE2 3.94Å; L435-F447 HydrophobicContact CD2-CD2 3.87Å; L435-F447 HydrophobicContact CD2-CE2 4.22Å; Y441-F447 WeakPolarHBondContact O-CA 3.43Å; Y441-F447 WeakPolarHBondContact O-CB 3.42Å; Y441-F447 PolarHBondContact O-N 2.78Å; T443-F447 WeakPolarHBondContact O-CB 3.41Å; T443-F447 PolarHBondContact O-N 3.02Å; I444-F447 PolarHBondContact O-N 2.99Å; R445-F447 VanDerWaalsContact C-N 3.32Å; R445-F447 PolarHBondContact O-N 2.71Å; F447-V449 VanDerWaalsContact C-N 3.35Å; F447-L450 HydrophobicContact CD2-CD2 4.31Å; F447-L450 HydrophobicContact CE2-CD2 4.44Å; F447-L450 WeakPolarHBondContact O-CB 3.48Å; F447-L450 PolarHBondContact O-N 3.22Å; F447-L451 HydrophobicContact CD1-CD1 3.93Å; F447-L451 HydrophobicContact CD1-CG 4.19Å; F447-L451 HydrophobicContact CE1-CD1 3.61Å; F447-L451 HydrophobicContact CE1-CD2 4.39Å; F447-L451 HydrophobicContact CE1-CG 4Å; F447-L451 HydrophobicContact CZ-CD1 4.49Å; F447-L451 WeakPolarHBondContact O-CG 3.38Å; F447-L451 PolarHBondContact O-N 3.49Å; F447-F485 HydrophobicContact CE2-CE1 4.31Å; F447-F485 HydrophobicContact CE2-CZ 4.08Å; F447-F485 AromaticContact CZ-CE1 3.85Å; F447-F485 HydrophobicContact CZ-CE1 3.85Å; F447-F485 HydrophobicContact CZ-CZ 4.1Å; F447-I486 HydrophobicContact CE1-CD1 4.19Å; F447-I486 HydrophobicContact CZ-CD1 3.92Å; F447-V489 HydrophobicContact CE2-CB 4.5Å; F447-V489 HydrophobicContact CE2-CG1 3.84Å; F447-V489 HydrophobicContact CE2-CG2 3.91Å; F447-V489 HydrophobicContact CZ-CG1 4.12Å; F447-V489 HydrophobicContact CZ-CG2 4.1Å; F447-F502 HydrophobicContact CB-CD1 4.01Å; F447-F502 HydrophobicContact CB-CE1 3.61Å; F447-F502 HydrophobicContact CB-CZ 4.47Å; F447-F502 HydrophobicContact CD1-CE1 4.47Å; F447-F502 AromaticContact CD2-CE1 3.58Å; F447-F502 HydrophobicContact CD2-CE1 3.58Å; F447-F502 AromaticContact CD2-CZ 3.6Å; F447-F502 HydrophobicContact CD2-CZ 3.6Å; F447-F502 HydrophobicContact CE2-CE1 4.35Å; F447-F502 AromaticContact CE2-CZ 3.92Å; F447-F502 HydrophobicContact CE2-CZ 3.92Å; F447-F502 HydrophobicContact CG-CD1 4.26Å; F447-F502 AromaticContact CG-CE1 3.64Å; F447-F502 HydrophobicContact CG-CE1 3.64Å; F447-F502 HydrophobicContact CG-CZ 4.02Å; F447-F506 HydrophobicContact CB-CZ 4.49Å; F447-F506 AromaticContact CD1-CE1 3.41Å; F447-F506 HydrophobicContact CD1-CE1 3.41Å; F447-F506 VanDerWaalsContact CD1-CE1 3.41Å; F447-F506 AromaticContact CD1-CZ 3.71Å; F447-F506 HydrophobicContact CD1-CZ 3.71Å; F447-F506 AromaticContact CE1-CE1 3.81Å; F447-F506 HydrophobicContact CE1-CE1 3.81Å; F447-F506 HydrophobicContact CE1-CZ 4.42Å; F447-F506 HydrophobicContact CG-CE1 4.15Å; F447-F506 HydrophobicContact CG-CZ 4.47Å; F447-L507 HydrophobicContact CE1-CD2 4.23Å; F447-L507 HydrophobicContact CZ-CD2 4.14Å; F447-I510 HydrophobicContact CD1-CD1 4.23Å; F447-I510 HydrophobicContact CE1-CD1 3.86Å
448	E	98.9	Very high	98.7	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-59.4	-46.1	172.6	-62	175.4	156.2	0	0	111.1	V210 I444 R445 L450 L451 E452 F506 W543 N547	V210-E448 HydrophobicContact CG1-CB 4.32Å; V210-E448 HydrophobicContact CG2-CB 3.89Å; V210-E448 VanDerWaalsContact CG2-OE2 3.31Å; V210-E448 WeakPolarHBondContact CG2-OE2 3.43Å; I444-E448 VanDerWaalsContact O-CG 3.29Å; I444-E448 WeakPolarHBondContact O-CG 3.42Å; I444-E448 PolarHBondContact O-N 2.83Å; R445-E448 VanDerWaalsContact CD-OE2 3.27Å; R445-E448 WeakPolarHBondContact CD-OE2 3.43Å; R445-E448 WeakPolarHBondContact O-CB 3.5Å; R445-E448 PolarHBondContact O-N 3.4Å; E448-L450 VanDerWaalsContact C-N 3.34Å; E448-L450 PolarHBondContact O-N 3.32Å; E448-L451 PolarHBondContact O-N 3.49Å; E448-E452 WeakPolarHBondContact O-CG 3.28Å; E448-E452 PolarHBondContact O-N 2.66Å; E448-F506 HydrophobicContact CG-CZ 4.48Å; E448-W543 HydrophobicContact CB-CD2 4Å; E448-W543 HydrophobicContact CB-CE3 4.15Å; E448-W543 HydrophobicContact CB-CG 4.37Å; E448-W543 HydrophobicContact CG-CD2 3.76Å; E448-W543 HydrophobicContact CG-CE3 3.43Å; E448-W543 VanDerWaalsContact CG-CE3 3.43Å; E448-W543 HydrophobicContact CG-CG 4.32Å; E448-W543 HydrophobicContact CG-CH2 4.47Å; E448-W543 HydrophobicContact CG-CZ3 3.83Å; E448-N547 VanDerWaalsContact CD-ND2 3.26Å; E448-N547 PolarHBondContact OE1-ND2 3.03Å; E448-N547 PolarHBondContact OE1-OD1 3.26Å; E448-N547 PolarHBondContact OE2-ND2 3.28Å; E448-N547 PolarHBondContact OE2-OD1 2.94Å
449	V	98.9	Very high	98.7	Very high	3 Å²	3	10.1 Å²	10.1	2%	0.018	5%	0.046	C	C	.	.	H	α-helix	trans	-60.6	-41.6	173.6	165.2	0	0	0	0	111.9	V210 Y211 E216 Y440 Y441 R445 G446 F447 L451 E452 K453	V210-V449 HydrophobicContact CG2-CG2 4.28Å; V210-V449 WeakPolarHBondContact O-CG2 3.48Å; Y211-V449 HydrophobicContact CD2-CG1 3.88Å; Y211-V449 HydrophobicContact CE2-CG1 4.42Å; E216-V449 HydrophobicContact CB-CG1 4.5Å; E216-V449 HydrophobicContact CG-CG1 4.16Å; Y440-V449 HydrophobicContact CE1-CB 4.26Å; Y440-V449 HydrophobicContact CE1-CG1 4.06Å; Y440-V449 WeakPolarHBondContact OH-CG2 3.43Å; Y441-V449 HydrophobicContact CE1-CG1 4.43Å; R445-V449 WeakPolarHBondContact O-CG2 3.28Å; R445-V449 PolarHBondContact O-N 2.66Å; G446-V449 PolarHBondContact O-N 3.17Å; F447-V449 VanDerWaalsContact C-N 3.35Å; V449-L451 VanDerWaalsContact C-N 3.28Å; V449-L451 PolarHBondContact O-N 2.95Å; V449-E452 PolarHBondContact O-N 3.48Å; V449-K453 WeakPolarHBondContact O-CB 3.33Å; V449-K453 PolarHBondContact O-N 3.03Å
450	L	98.9	Very high	98.8	Very high	0 Å²	0	10 Å²	10	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-58.4	-42.4	176.4	-177.6	70	0	0	0	111.2	L434 L435 Y441 G446 F447 E448 E454 F485	L434-L450 HydrophobicContact CB-CD1 4.05Å; L434-L450 HydrophobicContact CD2-CD1 3.9Å; L435-L450 HydrophobicContact CD1-CD2 3.82Å; L435-L450 HydrophobicContact CD2-CD2 3.77Å; L435-L450 HydrophobicContact CG-CD2 3.55Å; Y441-L450 HydrophobicContact CD1-CB 3.86Å; Y441-L450 HydrophobicContact CD1-CD1 4.09Å; Y441-L450 HydrophobicContact CD2-CD1 4.18Å; Y441-L450 HydrophobicContact CE1-CB 4.44Å; Y441-L450 HydrophobicContact CE1-CD1 4.27Å; Y441-L450 HydrophobicContact CE2-CD1 4.34Å; Y441-L450 HydrophobicContact CG-CB 4.27Å; Y441-L450 HydrophobicContact CG-CD1 4.04Å; G446-L450 WeakPolarHBondContact O-CB 3.34Å; G446-L450 PolarHBondContact O-N 2.88Å; F447-L450 HydrophobicContact CD2-CD2 4.31Å; F447-L450 HydrophobicContact CE2-CD2 4.44Å; F447-L450 WeakPolarHBondContact O-CB 3.48Å; F447-L450 PolarHBondContact O-N 3.22Å; E448-L450 VanDerWaalsContact C-N 3.34Å; E448-L450 PolarHBondContact O-N 3.32Å; L450-E454 HydrophobicContact CD1-CB 4.46Å; L450-E454 HydrophobicContact CD1-CG 3.82Å; L450-E454 WeakPolarHBondContact O-CB 3.22Å; L450-E454 PolarHBondContact O-N 3.25Å; L450-F485 HydrophobicContact CD2-CZ 4.3Å
451	L	98.9	Very high	98.8	Very high	0 Å²	0	10 Å²	10	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-69.8	-47.9	178.2	-68.5	-174.2	0	0	0	112.5	F447 E448 V449 K453 W455 L456 F482 F485 I510 W543	F447-L451 HydrophobicContact CD1-CD1 3.93Å; F447-L451 HydrophobicContact CD1-CG 4.19Å; F447-L451 HydrophobicContact CE1-CD1 3.61Å; F447-L451 HydrophobicContact CE1-CD2 4.39Å; F447-L451 HydrophobicContact CE1-CG 4Å; F447-L451 HydrophobicContact CZ-CD1 4.49Å; F447-L451 WeakPolarHBondContact O-CG 3.38Å; F447-L451 PolarHBondContact O-N 3.49Å; E448-L451 PolarHBondContact O-N 3.49Å; V449-L451 VanDerWaalsContact C-N 3.28Å; V449-L451 PolarHBondContact O-N 2.95Å; L451-K453 PolarHBondContact O-N 3.32Å; L451-W455 HydrophobicContact CD2-CG 4.23Å; L451-W455 WeakPolarHBondContact O-CB 3.27Å; L451-W455 PolarHBondContact O-N 3.46Å; L451-L456 PolarHBondContact O-N 3.3Å; L451-F482 HydrophobicContact CD1-CZ 4.01Å; L451-F482 HydrophobicContact CD2-CE2 3.51Å; L451-F482 HydrophobicContact CD2-CZ 3.75Å; L451-F485 HydrophobicContact CD2-CD1 4.39Å; L451-F485 HydrophobicContact CD2-CE1 3.62Å; L451-F485 HydrophobicContact CD2-CZ 4.33Å; L451-I510 HydrophobicContact CD1-CD1 4.09Å; L451-W543 HydrophobicContact CB-CZ2 4.24Å; L451-W543 HydrophobicContact CD1-CH2 3.59Å; L451-W543 HydrophobicContact CD1-CZ2 4.09Å
452	E	98.9	Very high	98.8	Very high	20 Å²	20	10 Å²	10	9%	0.093	4%	0.043	C	C	.	.	I	π-helix	trans	-57.8	-38.2	175.1	-72.7	-67	164.6	0	0	111.9	V210 Y211 E448 V449 L456 S457 W543	V210-E452 HydrophobicContact CG1-CG 3.94Å; Y211-E452 VanDerWaalsContact CB-CB 3.48Å; Y211-E452 HydrophobicContact CD1-CB 3.69Å; Y211-E452 HydrophobicContact CG-CB 3.68Å; E448-E452 WeakPolarHBondContact O-CG 3.28Å; E448-E452 PolarHBondContact O-N 2.66Å; V449-E452 PolarHBondContact O-N 3.48Å; E452-L456 HydrophobicContact CG-CD1 4.19Å; E452-L456 WeakPolarHBondContact O-CB 3.24Å; E452-L456 WeakPolarHBondContact OE1-CD1 3.4Å; E452-L456 WeakPolarHBondContact OE2-CD1 3.38Å; E452-S457 VanDerWaalsContact O-CB 3.32Å; E452-S457 WeakPolarHBondContact O-CB 3.37Å; E452-S457 PolarHBondContact O-N 2.9Å; E452-W543 PolarHBondContact OE1-NE1 3.08Å
453	K	98.9	Very high	98.8	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	5%	0.051	C	C	.	.	I	π-helix	trans	-77.7	-75.3	177.3	-178.1	166.4	163.8	-74.1	0	112.4	Y211 E216 S273 V449 L451 W455 S457 F458	Y211-K453 HydrophobicContact CD2-CB 4.48Å; Y211-K453 HydrophobicContact CE1-CB 4.47Å; Y211-K453 HydrophobicContact CE2-CB 3.83Å; Y211-K453 HydrophobicContact CE2-CD 4.14Å; Y211-K453 HydrophobicContact CE2-CG 4.28Å; E216-K453 HydrophobicContact CG-CD 3.78Å; S273-K453 PolarHBondContact O-NZ 2.65Å; V449-K453 WeakPolarHBondContact O-CB 3.33Å; V449-K453 PolarHBondContact O-N 3.03Å; L451-K453 PolarHBondContact O-N 3.32Å; K453-W455 VanDerWaalsContact C-N 3.27Å; K453-W455 PolarHBondContact O-N 3.05Å; K453-S457 PolarHBondContact O-OG 3.43Å; K453-F458 HydrophobicContact CG-CE2 4.49Å; K453-F458 WeakPolarHBondContact O-CD2 3.44Å; K453-F458 PolarHBondContact O-N 3.43Å
454	E	98.9	Very high	98.8	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	5%	0.051	C	C	.	.	I	π-helix	trans	-72.7	-17.5	-164.3	-67.8	-64.4	122.7	0	0	114.3	S273 R285 T430 S431 L434 L450	S273-E454 WeakPolarHBondContact CB-OE1 3.4Å; S273-E454 PolarHBondContact OG-OE1 3.49Å; S273-E454 PolarHBondContact OG-OE2 2.9Å; R285-E454 IonicContact CZ-OE2 2.83Å; R285-E454 PolarHBondContact NH1-O 2.91Å; R285-E454 IonicContact NH1-OE2 3.46Å; R285-E454 PolarHBondContact NH1-OE2 2.95Å; R285-E454 PolarHBondContact NH2-O 3.46Å; T430-E454 VanDerWaalsContact CB-OE2 3.26Å; T430-E454 WeakPolarHBondContact CB-OE2 3.43Å; T430-E454 PolarHBondContact OG1-OE2 3.25Å; S431-E454 WeakPolarHBondContact OG-CB 3.25Å; L434-E454 HydrophobicContact CD2-CG 4.06Å; L450-E454 HydrophobicContact CD1-CB 4.46Å; L450-E454 HydrophobicContact CD1-CG 3.82Å; L450-E454 WeakPolarHBondContact O-CB 3.22Å; L450-E454 PolarHBondContact O-N 3.25Å
455	W	98.9	Very high	98.8	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	5%	0.052	C	C	.	.	I	π-helix	trans	-110.7	-54.9	-179.9	-66.2	80.3	0	0	0	112.6	A427 Q428 S431 L451 K453 G459 H460 F462 V481 F482 F485	A427-W455 HydrophobicContact CB-CD2 4.05Å; A427-W455 HydrophobicContact CB-CE3 4.11Å; A427-W455 HydrophobicContact CB-CH2 4.28Å; A427-W455 HydrophobicContact CB-CZ2 4.18Å; A427-W455 HydrophobicContact CB-CZ3 4.24Å; Q428-W455 HydrophobicContact CG-CH2 3.65Å; Q428-W455 HydrophobicContact CG-CZ2 4.09Å; S431-W455 PolarHBondContact OG-NE1 2.79Å; L451-W455 HydrophobicContact CD2-CG 4.23Å; L451-W455 WeakPolarHBondContact O-CB 3.27Å; L451-W455 PolarHBondContact O-N 3.46Å; K453-W455 VanDerWaalsContact C-N 3.27Å; K453-W455 PolarHBondContact O-N 3.05Å; W455-G459 PolarHBondContact O-N 3.14Å; W455-H460 HydrophobicContact CB-CB 4.43Å; W455-H460 HydrophobicContact CE3-CB 3.84Å; W455-H460 AromaticContact CE3-CD2 3.73Å; W455-H460 AromaticContact CE3-CG 3.55Å; W455-H460 AromaticContact CE3-ND1 3.97Å; W455-H460 AromaticContact CZ3-CD2 3.96Å; W455-H460 AromaticContact CZ3-CE1 3.91Å; W455-H460 AromaticContact CZ3-CG 3.87Å; W455-H460 AromaticContact CZ3-ND1 3.83Å; W455-H460 AromaticContact CZ3-NE2 4Å; W455-H460 VanDerWaalsContact O-CB 3.24Å; W455-H460 WeakPolarHBondContact O-CB 3.24Å; W455-H460 PolarHBondContact O-N 3.27Å; W455-F462 HydrophobicContact CB-CE2 3.92Å; W455-F462 HydrophobicContact CB-CZ 4.01Å; W455-F462 HydrophobicContact CE3-CZ 4.16Å; W455-V481 HydrophobicContact CH2-CG1 4.2Å; W455-V481 HydrophobicContact CZ3-CG1 4.12Å; W455-F482 AromaticContact CD2-CD2 3.62Å; W455-F482 HydrophobicContact CD2-CD2 3.62Å; W455-F482 AromaticContact CD2-CE2 3.85Å; W455-F482 HydrophobicContact CD2-CE2 3.85Å; W455-F482 AromaticContact CE2-CD2 3.92Å; W455-F482 HydrophobicContact CE3-CB 4.43Å; W455-F482 AromaticContact CE3-CD2 3.45Å; W455-F482 HydrophobicContact CE3-CD2 3.45Å; W455-F482 VanDerWaalsContact CE3-CD2 3.45Å; W455-F482 HydrophobicContact CE3-CE2 4.13Å; W455-F482 HydrophobicContact CE3-CG 4.36Å; W455-F482 HydrophobicContact CG-CD2 4.33Å; W455-F482 HydrophobicContact CG-CE2 4.12Å; W455-F482 AromaticContact CH2-CD2 3.92Å; W455-F482 HydrophobicContact CH2-CD2 3.92Å; W455-F482 HydrophobicContact CZ2-CD2 4.1Å; W455-F482 HydrophobicContact CZ3-CB 3.99Å; W455-F482 AromaticContact CZ3-CD2 3.6Å; W455-F482 HydrophobicContact CZ3-CD2 3.6Å; W455-F482 HydrophobicContact CZ3-CG 4.29Å; W455-F485 AromaticContact CE2-CD1 3.88Å; W455-F485 AromaticContact CE2-CG 3.89Å; W455-F485 HydrophobicContact CH2-CB 3.57Å; W455-F485 HydrophobicContact CH2-CG 4.04Å; W455-F485 HydrophobicContact CZ2-CB 3.32Å; W455-F485 AromaticContact CZ2-CD1 3.69Å; W455-F485 HydrophobicContact CZ2-CD1 3.69Å; W455-F485 AromaticContact CZ2-CD2 3.69Å; W455-F485 HydrophobicContact CZ2-CD2 3.69Å; W455-F485 HydrophobicContact CZ2-CE1 4.45Å; W455-F485 HydrophobicContact CZ2-CE2 4.44Å; W455-F485 AromaticContact CZ2-CG 3.25Å; W455-F485 HydrophobicContact CZ2-CG 3.25Å; W455-F485 AromaticContact NE1-CD1 3.94Å; W455-F485 AromaticContact NE1-CE1 3.86Å; W455-F485 AromaticContact NE1-CZ 3.98Å
456	L	98.9	Very high	98.8	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.005	4%	0.041	C	C	.	.	I	π-helix	trans	-78.3	-52.3	-170.6	-60.5	173.6	0	0	0	112.4	L451 E452 G459 F462 T521 F522 R530	L451-L456 PolarHBondContact O-N 3.3Å; E452-L456 HydrophobicContact CG-CD1 4.19Å; E452-L456 WeakPolarHBondContact O-CB 3.24Å; E452-L456 WeakPolarHBondContact OE1-CD1 3.4Å; E452-L456 WeakPolarHBondContact OE2-CD1 3.38Å; L456-G459 PolarHBondContact O-N 3.15Å; L456-F462 HydrophobicContact CD2-CD2 3.64Å; L456-F462 HydrophobicContact CD2-CE2 3.35Å; L456-F462 HydrophobicContact CD2-CZ 4.1Å; L456-F462 HydrophobicContact CG-CE2 4.24Å; L456-T521 HydrophobicContact CD1-CG2 3.78Å; L456-T521 VanDerWaalsContact CD2-O 3.3Å; L456-T521 WeakPolarHBondContact CD2-O 3.46Å; L456-F522 HydrophobicContact CD2-CD1 4.01Å; L456-F522 HydrophobicContact CD2-CE1 4.46Å; L456-R530 VanDerWaalsContact CD2-NH2 3.31Å
457	S	98.8	Very high	98.8	Very high	4 Å²	4	9.4 Å²	9.4	3%	0.028	4%	0.042	C	C	.	.	I	π-helix	trans	-71.9	-39.1	-178.6	85.6	0	0	0	0	111.6	Y242 P243 E452 K453 G459	Y242-S457 CarbonylContact C-O 3.5Å; P243-S457 WeakPolarHBondContact CD-O 3.37Å; E452-S457 VanDerWaalsContact O-CB 3.32Å; E452-S457 WeakPolarHBondContact O-CB 3.37Å; E452-S457 PolarHBondContact O-N 2.9Å; K453-S457 PolarHBondContact O-OG 3.43Å; S457-G459 PolarHBondContact O-N 3.4Å; S457-G459 VanDerWaalsContact O-N 3.16Å
458	F	98.9	Very high	98.8	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	6.6	174	-87.9	-76.2	0	0	0	115.1	T241 Y242 P243 R268 V271 R285 K453	T241-F458 CarbonylContact O-C 3.02Å; Y242-F458 AromaticContact CD1-CD1 3.91Å; Y242-F458 HydrophobicContact CD1-CD1 3.91Å; Y242-F458 HydrophobicContact CD1-CE1 4.23Å; Y242-F458 AromaticContact CE1-CD1 3.77Å; Y242-F458 HydrophobicContact CE1-CD1 3.77Å; Y242-F458 HydrophobicContact CE1-CE1 4Å; Y242-F458 HydrophobicContact CE2-CE1 4.38Å; P243-F458 HydrophobicContact CG-CD2 4.46Å; P243-F458 HydrophobicContact CG-CE1 4.29Å; P243-F458 HydrophobicContact CG-CE2 4.23Å; P243-F458 HydrophobicContact CG-CZ 4.14Å; R268-F458 PolarHBondContact NH1-O 3.1Å; R268-F458 PolarHBondContact NH2-O 3.49Å; V271-F458 HydrophobicContact CG2-CE1 3.43Å; V271-F458 VanDerWaalsContact CG2-CE1 3.43Å; V271-F458 HydrophobicContact CG2-CZ 3.64Å; R285-F458 HydrophobicContact CG-CD1 4.38Å; R285-F458 HydrophobicContact CG-CE1 4.03Å; R285-F458 HydrophobicContact CG-CZ 4.4Å; K453-F458 HydrophobicContact CG-CE2 4.49Å; K453-F458 WeakPolarHBondContact O-CD2 3.44Å; K453-F458 PolarHBondContact O-N 3.43Å
459	G	98.8	Very high	98.7	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	77	35.3	163	0	0	0	0	0	115.5	T241 W455 L456 S457 R461 N525	T241-G459 WeakPolarHBondContact O-CA 3.48Å; W455-G459 PolarHBondContact O-N 3.14Å; L456-G459 PolarHBondContact O-N 3.15Å; S457-G459 PolarHBondContact O-N 3.4Å; S457-G459 VanDerWaalsContact O-N 3.16Å; G459-R461 PolarHBondContact O-N 3.12Å; G459-N525 CarbonylContact C-O 3.53Å; G459-N525 WeakPolarHBondContact CA-O 3.38Å
460	H	98.9	Very high	98.7	Very high	2 Å²	2	11.7 Å²	11.7	1%	0.009	6%	0.055	C	C	.	.			trans	-58.4	128.4	160	-174.4	67.5	0	0	0	109.1	W423 D424 W455 F462	W423-H460 PolarHBondContact O-ND1 3.44Å; D424-H460 IonicContact OD1-CE1 2.73Å; D424-H460 PolarHBondContact OD1-CE1 3.18Å; D424-H460 IonicContact OD1-ND1 2.79Å; D424-H460 PolarHBondContact OD1-ND1 3.4Å; W455-H460 HydrophobicContact CB-CB 4.43Å; W455-H460 HydrophobicContact CE3-CB 3.84Å; W455-H460 AromaticContact CE3-CD2 3.73Å; W455-H460 AromaticContact CE3-CG 3.55Å; W455-H460 AromaticContact CE3-ND1 3.97Å; W455-H460 AromaticContact CZ3-CD2 3.96Å; W455-H460 AromaticContact CZ3-CE1 3.91Å; W455-H460 AromaticContact CZ3-CG 3.87Å; W455-H460 AromaticContact CZ3-ND1 3.83Å; W455-H460 AromaticContact CZ3-NE2 4Å; W455-H460 VanDerWaalsContact O-CB 3.24Å; W455-H460 WeakPolarHBondContact O-CB 3.24Å; W455-H460 PolarHBondContact O-N 3.27Å; H460-F462 HydrophobicContact CB-CD2 4.14Å; H460-F462 HydrophobicContact CB-CE2 3.88Å; H460-F462 AromaticContact CD2-CD1 3.96Å; H460-F462 AromaticContact CD2-CD2 3.67Å; H460-F462 AromaticContact CD2-CE1 3.94Å; H460-F462 AromaticContact CD2-CE2 3.63Å; H460-F462 AromaticContact CD2-CG 3.84Å; H460-F462 AromaticContact CD2-CZ 3.77Å; H460-F462 WeakPolarHBondContact O-CD2 3.3Å; H460-F462 PolarHBondContact O-N 3.23Å
461	R	98.8	Very high	98.6	Very high	69 Å²	69	17.5 Å²	17.5	26%	0.26	8%	0.08	S	C	.	.			trans	-82.3	62.2	-170.1	-57.1	-172.3	77.5	-171.4	10.4	111.8	W423 G459 Q463 Q464 R465 N525	W423-R461 HydrophobicContact CD2-CG 4.26Å; W423-R461 VanDerWaalsContact CZ2-CD 3.44Å; W423-R461 HydrophobicContact CZ2-CG 4.35Å; G459-R461 PolarHBondContact O-N 3.12Å; R461-Q463 PolarHBondContact O-N 3Å; R461-Q464 HydrophobicContact CB-CB 4.01Å; R461-Q464 VanDerWaalsContact NH1-CD 3.32Å; R461-Q464 PolarHBondContact O-N 3.49Å; R461-Q464 VanDerWaalsContact O-N 3.07Å; R461-R465 WeakPolarHBondContact O-CB 3.48Å; R461-R465 VanDerWaalsContact O-CG 3.28Å; R461-R465 WeakPolarHBondContact O-CG 3.44Å; R461-R465 PolarHBondContact O-N 3.41Å; R461-N525 VanDerWaalsContact C-OD1 3.29Å; R461-N525 WeakPolarHBondContact CA-OD1 3.48Å; R461-N525 HydrophobicContact CB-CB 4.07Å; R461-N525 WeakPolarHBondContact CB-OD1 3.25Å; R461-N525 HydrophobicContact CG-CB 4.16Å; R461-N525 PolarHBondContact O-OD1 3.38Å
462	F	98.9	Very high	98.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-51.5	-51.5	-174.5	-79.8	-85.4	0	0	0	112.9	W455 L456 H460 Q464 R465 I466 F482 L514 F522	W455-F462 HydrophobicContact CB-CE2 3.92Å; W455-F462 HydrophobicContact CB-CZ 4.01Å; W455-F462 HydrophobicContact CE3-CZ 4.16Å; L456-F462 HydrophobicContact CD2-CD2 3.64Å; L456-F462 HydrophobicContact CD2-CE2 3.35Å; L456-F462 HydrophobicContact CD2-CZ 4.1Å; L456-F462 HydrophobicContact CG-CE2 4.24Å; H460-F462 HydrophobicContact CB-CD2 4.14Å; H460-F462 HydrophobicContact CB-CE2 3.88Å; H460-F462 AromaticContact CD2-CD1 3.96Å; H460-F462 AromaticContact CD2-CD2 3.67Å; H460-F462 AromaticContact CD2-CE1 3.94Å; H460-F462 AromaticContact CD2-CE2 3.63Å; H460-F462 AromaticContact CD2-CG 3.84Å; H460-F462 AromaticContact CD2-CZ 3.77Å; H460-F462 WeakPolarHBondContact O-CD2 3.3Å; H460-F462 PolarHBondContact O-N 3.23Å; F462-Q464 VanDerWaalsContact C-N 3.26Å; F462-Q464 PolarHBondContact O-N 3.16Å; F462-R465 PolarHBondContact O-N 2.96Å; F462-I466 WeakPolarHBondContact O-CB 3.4Å; F462-I466 WeakPolarHBondContact O-CG1 3.47Å; F462-I466 PolarHBondContact O-N 2.78Å; F462-F482 HydrophobicContact CE1-CB 3.99Å; F462-F482 AromaticContact CE1-CD1 3.7Å; F462-F482 HydrophobicContact CE1-CD1 3.7Å; F462-F482 AromaticContact CE1-CD2 3.96Å; F462-F482 HydrophobicContact CE1-CD2 3.96Å; F462-F482 HydrophobicContact CE1-CE1 4.11Å; F462-F482 HydrophobicContact CE1-CE2 4.35Å; F462-F482 AromaticContact CE1-CG 3.6Å; F462-F482 HydrophobicContact CE1-CG 3.6Å; F462-F482 HydrophobicContact CE1-CZ 4.41Å; F462-F482 HydrophobicContact CZ-CD1 4.36Å; F462-F482 AromaticContact CZ-CD2 3.88Å; F462-F482 HydrophobicContact CZ-CD2 3.88Å; F462-F482 HydrophobicContact CZ-CE2 4.07Å; F462-F482 HydrophobicContact CZ-CG 4.02Å; F462-F482 HydrophobicContact CZ-CZ 4.38Å; F462-L514 HydrophobicContact CD1-CD1 3.57Å; F462-L514 HydrophobicContact CE1-CD1 3.76Å; F462-F522 WeakPolarHBondContact CB-O 3.09Å; F462-F522 HydrophobicContact CD1-CB 4.06Å; F462-F522 AromaticContact CD1-CD1 3.87Å; F462-F522 HydrophobicContact CD1-CD1 3.87Å; F462-F522 HydrophobicContact CD1-CG 4.32Å; F462-F522 AromaticContact CE1-CD1 3.47Å; F462-F522 HydrophobicContact CE1-CD1 3.47Å; F462-F522 VanDerWaalsContact CE1-CD1 3.47Å; F462-F522 HydrophobicContact CE1-CE1 4.05Å; F462-F522 HydrophobicContact CE1-CG 4.27Å; F462-F522 HydrophobicContact CE2-CD1 4.25Å; F462-F522 HydrophobicContact CG-CB 4.38Å; F462-F522 HydrophobicContact CG-CD1 4.41Å; F462-F522 AromaticContact CZ-CD1 3.69Å; F462-F522 HydrophobicContact CZ-CD1 3.69Å; F462-F522 HydrophobicContact CZ-CE1 4.03Å
463	Q	98.6	Very high	98.4	Very high	41 Å²	41	23.8 Å²	23.8	19%	0.192	11%	0.112	C	C	.	.	H	α-helix	trans	-55.2	-41.4	178.6	177.7	66.9	53.2	0	0	112.5	R461 G467 H468 C524 N525	R461-Q463 PolarHBondContact O-N 3Å; Q463-G467 VanDerWaalsContact O-CA 3.24Å; Q463-G467 WeakPolarHBondContact O-CA 3.26Å; Q463-G467 PolarHBondContact O-N 3.35Å; Q463-H468 PolarHBondContact NE2-O 3.1Å; Q463-H468 PolarHBondContact OE1-CD2 3.22Å; Q463-C524 VanDerWaalsContact CB-O 3.3Å; Q463-C524 WeakPolarHBondContact CB-O 3.46Å; Q463-C524 PolarHBondContact N-O 3.34Å; Q463-N525 PolarHBondContact N-OD1 3.49Å
464	Q	98.6	Very high	98.3	Very high	35 Å²	35	28 Å²	28	16%	0.164	14%	0.141	C	C	.	.	H	α-helix	trans	-74.4	-42.1	178.1	-160.8	-171.2	35.9	0	0	112.7	R461 F462 I466 D477 N525	R461-Q464 HydrophobicContact CB-CB 4.01Å; R461-Q464 VanDerWaalsContact NH1-CD 3.32Å; R461-Q464 PolarHBondContact O-N 3.49Å; R461-Q464 VanDerWaalsContact O-N 3.07Å; F462-Q464 VanDerWaalsContact C-N 3.26Å; F462-Q464 PolarHBondContact O-N 3.16Å; Q464-I466 VanDerWaalsContact C-N 3.31Å; Q464-I466 PolarHBondContact O-N 3.15Å; Q464-D477 HydrophobicContact CG-CB 3.64Å; Q464-D477 VanDerWaalsContact NE2-CG 3.32Å; Q464-D477 PolarHBondContact NE2-OD2 2.89Å; Q464-N525 PolarHBondContact N-OD1 2.77Å
465	R	98.8	Very high	98.2	Very high	9 Å²	9	29.8 Å²	29.8	3%	0.034	15%	0.151	C	C	.	.	H	α-helix	trans	-69.2	-30.2	-177.2	-69.5	-75.5	173.8	-84.2	-3.1	112.4	D424 R461 F462 D477 R478 S479	D424-R465 IonicContact OD1-CZ 3.03Å; D424-R465 IonicContact OD1-NE 3.87Å; D424-R465 PolarHBondContact OD1-NE 3.01Å; D424-R465 IonicContact OD1-NH2 2.77Å; D424-R465 PolarHBondContact OD1-NH2 2.85Å; D424-R465 IonicContact OD2-CZ 3.82Å; D424-R465 IonicContact OD2-NE 3.95Å; D424-R465 IonicContact OD2-NH2 2.65Å; D424-R465 PolarHBondContact OD2-NH2 3.46Å; R461-R465 WeakPolarHBondContact O-CB 3.48Å; R461-R465 VanDerWaalsContact O-CG 3.28Å; R461-R465 WeakPolarHBondContact O-CG 3.44Å; R461-R465 PolarHBondContact O-N 3.41Å; F462-R465 PolarHBondContact O-N 2.96Å; R465-D477 WeakPolarHBondContact CD-O 3.33Å; R465-D477 PolarHBondContact NH1-O 2.64Å; R465-R478 CarbonylContact O-C 3.48Å; R465-R478 VanDerWaalsContact O-CA 3.22Å; R465-R478 WeakPolarHBondContact O-CA 3.5Å; R465-S479 PolarHBondContact O-N 2.83Å
466	I	98.5	Very high	98.1	Very high	10 Å²	10	32 Å²	32	5%	0.051	17%	0.169	C	C	.	.	H	α-helix	trans	-102.5	-31.7	-177.7	-53.3	-58.1	0	0	0	112.7	K157 F462 Q464 H468 I483 L514 Y515	K157-I466 HydrophobicContact CD-CG2 4.34Å; K157-I466 WeakPolarHBondContact CE-O 3.34Å; K157-I466 PolarHBondContact NZ-O 3.05Å; F462-I466 WeakPolarHBondContact O-CB 3.4Å; F462-I466 WeakPolarHBondContact O-CG1 3.47Å; F462-I466 PolarHBondContact O-N 2.78Å; Q464-I466 VanDerWaalsContact C-N 3.31Å; Q464-I466 PolarHBondContact O-N 3.15Å; I466-H468 VanDerWaalsContact CB-CE1 3.46Å; I466-H468 WeakPolarHBondContact CB-CE1 3.32Å; I466-H468 WeakPolarHBondContact CG2-CE1 3.31Å; I466-I483 HydrophobicContact CD1-CD1 4.27Å; I466-L514 HydrophobicContact CD1-CD1 4.02Å; I466-L514 HydrophobicContact CD1-CD2 3.79Å; I466-L514 HydrophobicContact CD1-CG 3.96Å; I466-L514 HydrophobicContact CG1-CD1 3.91Å; I466-L514 HydrophobicContact CG1-CG 4.18Å; I466-Y515 HydrophobicContact CD1-CE1 3.97Å; I466-Y515 HydrophobicContact CG2-CD1 3.56Å; I466-Y515 HydrophobicContact CG2-CE1 3.84Å
467	G	98.4	Very high	98.1	Very high	3 Å²	3	34.7 Å²	34.7	3%	0.031	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	59.5	-174.3	0	0	0	0	0	112	K157 Q463 G469 D470	K157-G467 PolarHBondContact NZ-O 3.46Å; Q463-G467 VanDerWaalsContact O-CA 3.24Å; Q463-G467 WeakPolarHBondContact O-CA 3.26Å; Q463-G467 PolarHBondContact O-N 3.35Å; G467-G469 PolarHBondContact O-N 2.73Å; G467-D470 PolarHBondContact O-N 3.45Å
468	H	98.6	Very high	98.1	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.009	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	121.2	178.2	-55	-59.8	0	0	0	110.4	V188 I194 Q463 I466 D470 L514 C517 F522 L523	V188-H468 WeakPolarHBondContact CG2-O 3.45Å; I194-H468 HydrophobicContact CD1-CB 4.05Å; Q463-H468 PolarHBondContact NE2-O 3.1Å; Q463-H468 PolarHBondContact OE1-CD2 3.22Å; I466-H468 VanDerWaalsContact CB-CE1 3.46Å; I466-H468 WeakPolarHBondContact CB-CE1 3.32Å; I466-H468 WeakPolarHBondContact CG2-CE1 3.31Å; H468-D470 PolarHBondContact O-N 3.34Å; H468-D470 VanDerWaalsContact O-N 3.15Å; H468-L514 PolarHBondContact CE1-O 3.49Å; H468-C517 VanDerWaalsContact CB-SG 3.56Å; H468-C517 VanDerWaalsContact CG-SG 3.55Å; H468-C517 PolarHBondContact ND1-SG 3.15Å; H468-F522 PolarHBondContact NE2-O 3.41Å; H468-F522 VanDerWaalsContact NE2-O 3.16Å; H468-L523 HydrophobicContact CB-CD2 4.42Å
469	G	97.6	Very high	98.1	Very high	3 Å²	3	35.8 Å²	35.8	3%	0.031	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	16.3	177.8	0	0	0	0	0	116.1	F186 V188 S189 G467	F186-G469 CarbonylContact C-O 3.42Å; F186-G469 WeakPolarHBondContact CA-O 3.36Å; V188-G469 WeakPolarHBondContact CB-O 3.48Å; V188-G469 PolarHBondContact N-O 3.05Å; V188-G469 VanDerWaalsContact N-O 3.09Å; S189-G469 PolarHBondContact N-O 3.37Å; G467-G469 PolarHBondContact O-N 2.73Å
470	D	98	Very high	98.1	Very high	47 Å²	47	36.1 Å²	36.1	25%	0.251	19%	0.19	S	C	.	.			trans	-104.2	126.8	177.2	-175.7	-9.5	0	0	0	110.9	S189 G467 H468 N472 R478	S189-D470 WeakPolarHBondContact OG-CA 3.45Å; S189-D470 PolarHBondContact OG-OD1 3.34Å; G467-D470 PolarHBondContact O-N 3.45Å; H468-D470 PolarHBondContact O-N 3.34Å; H468-D470 VanDerWaalsContact O-N 3.15Å; D470-N472 VanDerWaalsContact C-N 3.29Å; D470-N472 PolarHBondContact O-N 3.2Å; D470-N472 WeakPolarHBondContact OD1-CB 3.41Å; D470-N472 PolarHBondContact OD1-N 2.91Å; D470-R478 PolarHBondContact O-NH2 3.09Å
471	K	96.9	Very high	98.1	Very high	121 Å²	121	36.1 Å²	36.1	53%	0.526	19%	0.191	S	C	.	.			trans	-70.9	-16.8	178.7	74.7	-174.1	178.1	-177.2	0	114.3	F186 S189 H473	F186-K471 HydrophobicContact CB-CB 4Å; F186-K471 HydrophobicContact CD1-CB 4.09Å; F186-K471 HydrophobicContact CD2-CB 3.9Å; F186-K471 HydrophobicContact CE2-CB 4.48Å; F186-K471 HydrophobicContact CG-CB 3.7Å; S189-K471 WeakPolarHBondContact OG-CG 3.42Å; S189-K471 PolarHBondContact OG-N 2.79Å; K471-H473 VanDerWaalsContact C-N 3.25Å; K471-H473 PolarHBondContact O-N 3.24Å
472	N	97.6	Very high	98.1	Very high	69 Å²	69	33 Å²	33	37%	0.369	18%	0.179	S	C	.	.			trans	-73.3	75.2	-179	-176.1	15.3	0	0	0	111.9	D470 S474 D475 R478	D470-N472 VanDerWaalsContact C-N 3.29Å; D470-N472 PolarHBondContact O-N 3.2Å; D470-N472 WeakPolarHBondContact OD1-CB 3.41Å; D470-N472 PolarHBondContact OD1-N 2.91Å; N472-S474 PolarHBondContact O-N 3.33Å; N472-S474 PolarHBondContact OD1-OG 3.3Å; N472-D475 WeakPolarHBondContact O-CB 3.29Å; N472-D475 PolarHBondContact O-N 2.93Å; N472-D475 PolarHBondContact OD1-N 3.22Å; N472-R478 PolarHBondContact O-NE 2.98Å; N472-R478 PolarHBondContact O-NH2 3.18Å
473	H	95.5	Very high	98.1	Very high	84 Å²	84	33 Å²	33	39%	0.389	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-17.8	-179.1	72.1	78	0	0	0	114	S136 R137 K471 D475	S136-H473 WeakPolarHBondContact O-CB 3.43Å; R137-H473 HydrophobicContact CB-CB 4.08Å; K471-H473 VanDerWaalsContact C-N 3.25Å; K471-H473 PolarHBondContact O-N 3.24Å; H473-D475 VanDerWaalsContact C-N 3.35Å
474	S	96.6	Very high	98.1	Very high	87 Å²	87	31.1 Å²	31.1	61%	0.608	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.9	0.7	178.8	45.1	0	0	0	0	113.9	N472 A476	N472-S474 PolarHBondContact O-N 3.33Å; N472-S474 PolarHBondContact OD1-OG 3.3Å; S474-A476 PolarHBondContact O-N 3.35Å; S474-A476 VanDerWaalsContact O-N 3.15Å
475	D	97.8	Very high	98.1	Very high	38 Å²	38	29.5 Å²	29.5	20%	0.203	16%	0.162	C	C	.	.			trans	-53.7	120.8	178.5	-174.1	-9.5	0	0	0	111.4	N472 H473 D477 R478	N472-D475 WeakPolarHBondContact O-CB 3.29Å; N472-D475 PolarHBondContact O-N 2.93Å; N472-D475 PolarHBondContact OD1-N 3.22Å; H473-D475 VanDerWaalsContact C-N 3.35Å; D475-D477 PolarHBondContact O-N 3.45Å; D475-D477 WeakPolarHBondContact OD1-CB 3.25Å; D475-D477 PolarHBondContact OD1-N 3.21Å; D475-R478 HydrophobicContact CB-CG 4.13Å; D475-R478 PolarHBondContact O-N 3.33Å
476	A	97.5	Very high	98.1	Very high	47 Å²	47	29 Å²	29	39%	0.388	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-10.1	-178	0	0	0	0	0	113.2	H359 R362 S474	H359-A476 PolarHBondContact CE1-O 3.43Å; H359-A476 PolarHBondContact ND1-O 3.41Å; R362-A476 PolarHBondContact NH1-O 2.83Å; S474-A476 PolarHBondContact O-N 3.35Å; S474-A476 VanDerWaalsContact O-N 3.15Å
477	D	97.9	Very high	98.1	Very high	58 Å²	58	28.6 Å²	28.6	31%	0.31	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-9.5	175	-73.8	-40.8	0	0	0	114	Q464 R465 D475	Q464-D477 HydrophobicContact CG-CB 3.64Å; Q464-D477 VanDerWaalsContact NE2-CG 3.32Å; Q464-D477 PolarHBondContact NE2-OD2 2.89Å; R465-D477 WeakPolarHBondContact CD-O 3.33Å; R465-D477 PolarHBondContact NH1-O 2.64Å; D475-D477 PolarHBondContact O-N 3.45Å; D475-D477 WeakPolarHBondContact OD1-CB 3.25Å; D475-D477 PolarHBondContact OD1-N 3.21Å
478	R	98.6	Very high	98.2	Very high	19 Å²	19	28.4 Å²	28.4	7%	0.072	16%	0.157	C	C	.	.			trans	-72	130.5	174.2	-66.2	-177.8	-170.3	-155.5	1.2	111.1	R362 R465 D470 N472 D475	R362-R478 WeakPolarHBondContact CD-O 3.25Å; R362-R478 PolarHBondContact NH1-O 2.88Å; R465-R478 CarbonylContact O-C 3.48Å; R465-R478 VanDerWaalsContact O-CA 3.22Å; R465-R478 WeakPolarHBondContact O-CA 3.5Å; D470-R478 PolarHBondContact O-NH2 3.09Å; N472-R478 PolarHBondContact O-NE 2.98Å; N472-R478 PolarHBondContact O-NH2 3.18Å; D475-R478 HydrophobicContact CB-CG 4.13Å; D475-R478 PolarHBondContact O-N 3.33Å
479	S	98.8	Very high	98.2	Very high	7 Å²	7	28.3 Å²	28.3	5%	0.049	16%	0.156	C	C	.	.			trans	-164.3	144.8	-176.7	-172.1	0	0	0	0	112.6	I358 R465 V481	I358-S479 WeakPolarHBondContact CA-OG 3.47Å; I358-S479 WeakPolarHBondContact CB-OG 3.47Å; I358-S479 WeakPolarHBondContact O-CB 3.17Å; I358-S479 PolarHBondContact O-OG 3.46Å; R465-S479 PolarHBondContact O-N 2.83Å; S479-V481 PolarHBondContact O-N 2.73Å
480	P	98.8	Very high	98.3	Very high	7 Å²	7	28.8 Å²	28.8	5%	0.045	16%	0.157	C	C	.	.			trans	-83.8	40.1	-172.2	36.8	-39.4	0	0	0	114.2	M361 L365 W390 F482 I483 Q484	M361-P480 HydrophobicContact CB-CG 4.42Å; L365-P480 HydrophobicContact CB-CG 3.88Å; L365-P480 HydrophobicContact CD2-CB 3.43Å; L365-P480 VanDerWaalsContact CD2-CB 3.43Å; L365-P480 HydrophobicContact CD2-CG 3.71Å; L365-P480 HydrophobicContact CG-CG 4.42Å; W390-P480 HydrophobicContact CH2-CB 4.3Å; W390-P480 HydrophobicContact CH2-CG 4.09Å; W390-P480 HydrophobicContact CZ3-CG 4.07Å; P480-F482 PolarHBondContact O-N 3.42Å; P480-I483 HydrophobicContact CB-CB 4.07Å; P480-I483 HydrophobicContact CB-CD1 3.81Å; P480-I483 HydrophobicContact CB-CG1 4.44Å; P480-I483 PolarHBondContact O-N 2.74Å; P480-I483 VanDerWaalsContact O-N 3.15Å; P480-Q484 WeakPolarHBondContact O-CG 3.38Å; P480-Q484 PolarHBondContact O-N 2.97Å
481	V	98.9	Very high	98.3	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.018	15%	0.146	C	C	.	.	H	α-helix	trans	-59.6	-47.1	-174	179.4	0	0	0	0	111.8	I358 D424 Q428 W455 S479 I483 Q484 F485	I358-V481 HydrophobicContact CG2-CG2 3.95Å; D424-V481 HydrophobicContact CB-CG1 3.94Å; D424-V481 HydrophobicContact CB-CG2 4.3Å; Q428-V481 HydrophobicContact CG-CG1 4.01Å; Q428-V481 PolarHBondContact NE2-O 2.6Å; W455-V481 HydrophobicContact CH2-CG1 4.2Å; W455-V481 HydrophobicContact CZ3-CG1 4.12Å; S479-V481 PolarHBondContact O-N 2.73Å; V481-I483 VanDerWaalsContact C-N 3.34Å; V481-Q484 PolarHBondContact O-N 2.81Å; V481-F485 PolarHBondContact O-N 2.95Å
482	F	98.9	Very high	98.4	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.009	12%	0.121	C	C	.	.	H	α-helix	trans	-69	-33.3	177.5	-171.1	-117.7	0	0	0	112.5	L451 W455 F462 P480 F485 I486 I510 L511 L514 F522	L451-F482 HydrophobicContact CD1-CZ 4.01Å; L451-F482 HydrophobicContact CD2-CE2 3.51Å; L451-F482 HydrophobicContact CD2-CZ 3.75Å; W455-F482 AromaticContact CD2-CD2 3.62Å; W455-F482 HydrophobicContact CD2-CD2 3.62Å; W455-F482 AromaticContact CD2-CE2 3.85Å; W455-F482 HydrophobicContact CD2-CE2 3.85Å; W455-F482 AromaticContact CE2-CD2 3.92Å; W455-F482 HydrophobicContact CE3-CB 4.43Å; W455-F482 AromaticContact CE3-CD2 3.45Å; W455-F482 HydrophobicContact CE3-CD2 3.45Å; W455-F482 VanDerWaalsContact CE3-CD2 3.45Å; W455-F482 HydrophobicContact CE3-CE2 4.13Å; W455-F482 HydrophobicContact CE3-CG 4.36Å; W455-F482 HydrophobicContact CG-CD2 4.33Å; W455-F482 HydrophobicContact CG-CE2 4.12Å; W455-F482 AromaticContact CH2-CD2 3.92Å; W455-F482 HydrophobicContact CH2-CD2 3.92Å; W455-F482 HydrophobicContact CZ2-CD2 4.1Å; W455-F482 HydrophobicContact CZ3-CB 3.99Å; W455-F482 AromaticContact CZ3-CD2 3.6Å; W455-F482 HydrophobicContact CZ3-CD2 3.6Å; W455-F482 HydrophobicContact CZ3-CG 4.29Å; F462-F482 HydrophobicContact CE1-CB 3.99Å; F462-F482 AromaticContact CE1-CD1 3.7Å; F462-F482 HydrophobicContact CE1-CD1 3.7Å; F462-F482 AromaticContact CE1-CD2 3.96Å; F462-F482 HydrophobicContact CE1-CD2 3.96Å; F462-F482 HydrophobicContact CE1-CE1 4.11Å; F462-F482 HydrophobicContact CE1-CE2 4.35Å; F462-F482 AromaticContact CE1-CG 3.6Å; F462-F482 HydrophobicContact CE1-CG 3.6Å; F462-F482 HydrophobicContact CE1-CZ 4.41Å; F462-F482 HydrophobicContact CZ-CD1 4.36Å; F462-F482 AromaticContact CZ-CD2 3.88Å; F462-F482 HydrophobicContact CZ-CD2 3.88Å; F462-F482 HydrophobicContact CZ-CE2 4.07Å; F462-F482 HydrophobicContact CZ-CG 4.02Å; F462-F482 HydrophobicContact CZ-CZ 4.38Å; P480-F482 PolarHBondContact O-N 3.42Å; F482-F485 HydrophobicContact CD2-CD1 4.04Å; F482-F485 AromaticContact CE2-CD1 3.78Å; F482-F485 HydrophobicContact CE2-CD1 3.78Å; F482-F485 HydrophobicContact CE2-CE1 4.22Å; F482-F485 WeakPolarHBondContact O-CB 3.41Å; F482-F485 PolarHBondContact O-N 3.41Å; F482-I486 HydrophobicContact CD1-CG1 4.34Å; F482-I486 HydrophobicContact CE1-CD1 4.28Å; F482-I486 HydrophobicContact CE1-CG1 4.02Å; F482-I486 HydrophobicContact CE2-CD1 4.29Å; F482-I486 HydrophobicContact CE2-CG1 4.44Å; F482-I486 HydrophobicContact CZ-CD1 3.89Å; F482-I486 HydrophobicContact CZ-CG1 4.08Å; F482-I486 WeakPolarHBondContact O-CG1 3.46Å; F482-I486 PolarHBondContact O-N 3.3Å; F482-I510 HydrophobicContact CE1-CG2 3.75Å; F482-I510 HydrophobicContact CZ-CG2 4.07Å; F482-L511 HydrophobicContact CD1-CD2 4.43Å; F482-L514 HydrophobicContact CD1-CD1 3.92Å; F482-L514 HydrophobicContact CD1-CD2 3.95Å; F482-L514 HydrophobicContact CD1-CG 4.45Å; F482-L514 HydrophobicContact CE1-CD1 4.46Å; F482-F522 AromaticContact CE1-CE1 3.97Å; F482-F522 HydrophobicContact CE1-CE1 3.97Å; F482-F522 HydrophobicContact CE1-CZ 4.1Å; F482-F522 AromaticContact CZ-CE1 3.93Å; F482-F522 HydrophobicContact CZ-CE1 3.93Å; F482-F522 HydrophobicContact CZ-CZ 4.19Å
483	I	98.9	Very high	98.4	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.01	11%	0.11	C	C	.	.	H	α-helix	trans	-65.2	-42.2	175.9	-61.2	96.4	0	0	0	110.6	I466 P480 V481 F485 I486 D487 L511 L514 Y515 Y581 Y582	I466-I483 HydrophobicContact CD1-CD1 4.27Å; P480-I483 HydrophobicContact CB-CB 4.07Å; P480-I483 HydrophobicContact CB-CD1 3.81Å; P480-I483 HydrophobicContact CB-CG1 4.44Å; P480-I483 PolarHBondContact O-N 2.74Å; P480-I483 VanDerWaalsContact O-N 3.15Å; V481-I483 VanDerWaalsContact C-N 3.34Å; I483-F485 VanDerWaalsContact C-N 3.28Å; I483-F485 PolarHBondContact O-N 3.38Å; I483-I486 PolarHBondContact O-N 2.77Å; I483-D487 WeakPolarHBondContact O-CB 3.49Å; I483-D487 PolarHBondContact O-N 3.32Å; I483-L511 HydrophobicContact CB-CD2 4.49Å; I483-L511 HydrophobicContact CG1-CD2 4Å; I483-L511 HydrophobicContact CG2-CD1 4.46Å; I483-L514 HydrophobicContact CD1-CD2 3.79Å; I483-L514 HydrophobicContact CG1-CD2 4.01Å; I483-Y515 WeakPolarHBondContact CD1-OH 3.27Å; I483-Y515 WeakPolarHBondContact CG1-OH 3.45Å; I483-Y581 HydrophobicContact CG2-CE1 3.98Å; I483-Y582 HydrophobicContact CG2-CE1 4.44Å
484	Q	98.9	Very high	98.6	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-60.8	-37.5	173.6	-72	179.9	-46.4	0	0	112.4	M361 W390 I394 I397 P480 V481 C488	M361-Q484 PolarHBondContact SD-NE2 3.38Å; W390-Q484 HydrophobicContact CH2-CG 3.34Å; W390-Q484 HydrophobicContact CZ2-CG 3.77Å; W390-Q484 HydrophobicContact CZ3-CG 3.98Å; I394-Q484 HydrophobicContact CD1-CB 4.09Å; I394-Q484 HydrophobicContact CD1-CG 4.22Å; I397-Q484 HydrophobicContact CD1-CB 4.02Å; I397-Q484 HydrophobicContact CD1-CG 4.49Å; P480-Q484 WeakPolarHBondContact O-CG 3.38Å; P480-Q484 PolarHBondContact O-N 2.97Å; V481-Q484 PolarHBondContact O-N 2.81Å; Q484-C488 PolarHBondContact O-N 2.94Å; Q484-C488 PolarHBondContact O-SG 3.4Å
485	F	98.9	Very high	98.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-62.9	-50	174.8	165.3	-104.7	0	0	0	111.4	Q428 S431 L432 L435 F447 L450 L451 W455 V481 F482 I483 D487 C488 V489	Q428-F485 HydrophobicContact CG-CB 4.32Å; S431-F485 VanDerWaalsContact CB-CE2 3.41Å; L432-F485 HydrophobicContact CD1-CD2 4.39Å; L432-F485 HydrophobicContact CD2-CD2 4.01Å; L432-F485 HydrophobicContact CD2-CE2 3.92Å; L432-F485 HydrophobicContact CG-CD2 3.82Å; L432-F485 HydrophobicContact CG-CE2 3.9Å; L435-F485 HydrophobicContact CD1-CE2 4.15Å; L435-F485 HydrophobicContact CD1-CZ 4.08Å; F447-F485 HydrophobicContact CE2-CE1 4.31Å; F447-F485 HydrophobicContact CE2-CZ 4.08Å; F447-F485 AromaticContact CZ-CE1 3.85Å; F447-F485 HydrophobicContact CZ-CE1 3.85Å; F447-F485 HydrophobicContact CZ-CZ 4.1Å; L450-F485 HydrophobicContact CD2-CZ 4.3Å; L451-F485 HydrophobicContact CD2-CD1 4.39Å; L451-F485 HydrophobicContact CD2-CE1 3.62Å; L451-F485 HydrophobicContact CD2-CZ 4.33Å; W455-F485 AromaticContact CE2-CD1 3.88Å; W455-F485 AromaticContact CE2-CG 3.89Å; W455-F485 HydrophobicContact CH2-CB 3.57Å; W455-F485 HydrophobicContact CH2-CG 4.04Å; W455-F485 HydrophobicContact CZ2-CB 3.32Å; W455-F485 AromaticContact CZ2-CD1 3.69Å; W455-F485 HydrophobicContact CZ2-CD1 3.69Å; W455-F485 AromaticContact CZ2-CD2 3.69Å; W455-F485 HydrophobicContact CZ2-CD2 3.69Å; W455-F485 HydrophobicContact CZ2-CE1 4.45Å; W455-F485 HydrophobicContact CZ2-CE2 4.44Å; W455-F485 AromaticContact CZ2-CG 3.25Å; W455-F485 HydrophobicContact CZ2-CG 3.25Å; W455-F485 AromaticContact NE1-CD1 3.94Å; W455-F485 AromaticContact NE1-CE1 3.86Å; W455-F485 AromaticContact NE1-CZ 3.98Å; V481-F485 PolarHBondContact O-N 2.95Å; F482-F485 HydrophobicContact CD2-CD1 4.04Å; F482-F485 AromaticContact CE2-CD1 3.78Å; F482-F485 HydrophobicContact CE2-CD1 3.78Å; F482-F485 HydrophobicContact CE2-CE1 4.22Å; F482-F485 WeakPolarHBondContact O-CB 3.41Å; F482-F485 PolarHBondContact O-N 3.41Å; I483-F485 VanDerWaalsContact C-N 3.28Å; I483-F485 PolarHBondContact O-N 3.38Å; F485-D487 VanDerWaalsContact C-N 3.3Å; F485-D487 PolarHBondContact O-N 2.88Å; F485-C488 WeakPolarHBondContact O-CB 3.46Å; F485-C488 PolarHBondContact O-N 3.21Å; F485-C488 VanDerWaalsContact O-N 3.12Å; F485-V489 HydrophobicContact CD1-CG2 4.47Å; F485-V489 HydrophobicContact CD2-CG2 4.25Å; F485-V489 HydrophobicContact CE1-CG2 3.97Å; F485-V489 HydrophobicContact CE2-CG2 3.75Å; F485-V489 HydrophobicContact CZ-CG2 3.6Å; F485-V489 WeakPolarHBondContact O-CG2 2.97Å; F485-V489 PolarHBondContact O-N 3.27Å
486	I	98.9	Very high	98.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-64.5	-35.4	179.5	-59.3	-63.4	0	0	0	111.5	F447 F482 I483 V489 W490 L507 I510 L511 W578	F447-I486 HydrophobicContact CE1-CD1 4.19Å; F447-I486 HydrophobicContact CZ-CD1 3.92Å; F482-I486 HydrophobicContact CD1-CG1 4.34Å; F482-I486 HydrophobicContact CE1-CD1 4.28Å; F482-I486 HydrophobicContact CE1-CG1 4.02Å; F482-I486 HydrophobicContact CE2-CD1 4.29Å; F482-I486 HydrophobicContact CE2-CG1 4.44Å; F482-I486 HydrophobicContact CZ-CD1 3.89Å; F482-I486 HydrophobicContact CZ-CG1 4.08Å; F482-I486 WeakPolarHBondContact O-CG1 3.46Å; F482-I486 PolarHBondContact O-N 3.3Å; I483-I486 PolarHBondContact O-N 2.77Å; I486-V489 PolarHBondContact O-N 2.95Å; I486-W490 PolarHBondContact O-N 3.31Å; I486-L507 HydrophobicContact CG2-CB 3.81Å; I486-L507 HydrophobicContact CG2-CD2 4.17Å; I486-L507 HydrophobicContact CG2-CG 4.42Å; I486-I510 HydrophobicContact CD1-CG2 4.29Å; I486-L511 HydrophobicContact CB-CD1 4.16Å; I486-L511 HydrophobicContact CB-CD2 3.97Å; I486-L511 HydrophobicContact CB-CG 4.21Å; I486-L511 HydrophobicContact CG1-CD2 3.81Å; I486-L511 HydrophobicContact CG1-CG 4.37Å; I486-L511 HydrophobicContact CG2-CD1 3.85Å; I486-L511 HydrophobicContact CG2-CD2 4.26Å; I486-L511 HydrophobicContact CG2-CG 3.94Å; I486-W578 HydrophobicContact CG2-CH2 3.75Å; I486-W578 HydrophobicContact CG2-CZ3 3.8Å
487	D	98.9	Very high	98.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-59.2	-50.1	170	-174.2	-26.9	0	0	0	110.5	W390 I394 I483 F485 V489 W490 Q491 W578 Y582	W390-D487 PolarHBondContact NE1-OD2 3Å; I394-D487 HydrophobicContact CD1-CB 3.82Å; I483-D487 WeakPolarHBondContact O-CB 3.49Å; I483-D487 PolarHBondContact O-N 3.32Å; F485-D487 VanDerWaalsContact C-N 3.3Å; F485-D487 PolarHBondContact O-N 2.88Å; D487-V489 VanDerWaalsContact C-N 3.28Å; D487-V489 PolarHBondContact O-N 2.88Å; D487-W490 CarbonylContact O-C 3.53Å; D487-W490 WeakPolarHBondContact O-CA 3.13Å; D487-W490 WeakPolarHBondContact O-CB 3.05Å; D487-W490 PolarHBondContact O-N 2.85Å; D487-Q491 WeakPolarHBondContact O-CG 3.37Å; D487-Q491 PolarHBondContact O-N 2.66Å; D487-Q491 PolarHBondContact OD1-NE2 3.21Å; D487-W578 HydrophobicContact CB-CE3 4.25Å; D487-Y582 WeakPolarHBondContact OD2-CE2 3.43Å; D487-Y582 PolarHBondContact OD2-OH 3.48Å; D487-Y582 VanDerWaalsContact OD2-OH 3.07Å
488	C	98.9	Very high	98.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-56.2	-40.7	175.1	-66.7	0	0	0	0	112.5	L398 L432 Q484 F485 Q491 L492	L398-C488 HydrophobicContact CD1-CB 4.48Å; L398-C488 HydrophobicContact CD2-CB 3.76Å; L398-C488 HydrophobicContact CG-CB 3.94Å; L432-C488 HydrophobicContact CD1-CB 3.66Å; L432-C488 HydrophobicContact CD2-CB 3.63Å; L432-C488 HydrophobicContact CG-CB 4.29Å; Q484-C488 PolarHBondContact O-N 2.94Å; Q484-C488 PolarHBondContact O-SG 3.4Å; F485-C488 WeakPolarHBondContact O-CB 3.46Å; F485-C488 PolarHBondContact O-N 3.21Å; F485-C488 VanDerWaalsContact O-N 3.12Å; C488-Q491 WeakPolarHBondContact O-CB 2.97Å; C488-Q491 PolarHBondContact O-N 2.72Å; C488-L492 WeakPolarHBondContact O-CG 2.84Å; C488-L492 PolarHBondContact O-N 2.9Å; C488-L492 VanDerWaalsContact O-N 3.15Å
489	V	98.9	Very high	98.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-62.8	-43.9	174.8	177.4	0	0	0	0	110.7	L432 L435 F447 F485 I486 D487 Q491 L492 T493 F502 L507	L432-V489 HydrophobicContact CD2-CG2 4.06Å; L435-V489 HydrophobicContact CD1-CG2 3.67Å; F447-V489 HydrophobicContact CE2-CB 4.5Å; F447-V489 HydrophobicContact CE2-CG1 3.84Å; F447-V489 HydrophobicContact CE2-CG2 3.91Å; F447-V489 HydrophobicContact CZ-CG1 4.12Å; F447-V489 HydrophobicContact CZ-CG2 4.1Å; F485-V489 HydrophobicContact CD1-CG2 4.47Å; F485-V489 HydrophobicContact CD2-CG2 4.25Å; F485-V489 HydrophobicContact CE1-CG2 3.97Å; F485-V489 HydrophobicContact CE2-CG2 3.75Å; F485-V489 HydrophobicContact CZ-CG2 3.6Å; F485-V489 WeakPolarHBondContact O-CG2 2.97Å; F485-V489 PolarHBondContact O-N 3.27Å; I486-V489 PolarHBondContact O-N 2.95Å; D487-V489 VanDerWaalsContact C-N 3.28Å; D487-V489 PolarHBondContact O-N 2.88Å; V489-Q491 VanDerWaalsContact C-N 3.33Å; V489-Q491 PolarHBondContact O-N 3.03Å; V489-L492 WeakPolarHBondContact O-CB 3.46Å; V489-L492 PolarHBondContact O-N 2.66Å; V489-L492 VanDerWaalsContact O-N 3.08Å; V489-T493 HydrophobicContact CG1-CG2 4.48Å; V489-T493 WeakPolarHBondContact O-CG2 3.39Å; V489-T493 PolarHBondContact O-N 3.16Å; V489-F502 HydrophobicContact CG1-CE2 3.81Å; V489-F502 HydrophobicContact CG1-CZ 3.87Å; V489-L507 HydrophobicContact CG1-CD1 4.13Å; V489-L507 HydrophobicContact CG1-CD2 3.97Å
490	W	98.9	Very high	98.4	Very high	13 Å²	13	18.6 Å²	18.6	5%	0.049	10%	0.096	C	C	.	.	H	α-helix	trans	-59.6	-41.7	174.3	177.5	88	0	0	0	111.9	I486 D487 L492 T493 R494 E504 L507 E576 W578	I486-W490 PolarHBondContact O-N 3.31Å; D487-W490 CarbonylContact O-C 3.53Å; D487-W490 WeakPolarHBondContact O-CA 3.13Å; D487-W490 WeakPolarHBondContact O-CB 3.05Å; D487-W490 PolarHBondContact O-N 2.85Å; W490-L492 PolarHBondContact O-N 2.99Å; W490-T493 PolarHBondContact O-N 3.35Å; W490-T493 VanDerWaalsContact O-N 3.09Å; W490-T493 PolarHBondContact O-OG1 2.78Å; W490-R494 HydrophobicContact CD2-CG 3.92Å; W490-R494 HydrophobicContact CE3-CG 4.14Å; W490-R494 HydrophobicContact CH2-CG 3.97Å; W490-R494 HydrophobicContact CZ2-CG 3.76Å; W490-R494 HydrophobicContact CZ3-CG 4.15Å; W490-R494 VanDerWaalsContact O-CG 3.29Å; W490-R494 WeakPolarHBondContact O-CG 3.37Å; W490-R494 PolarHBondContact O-N 2.8Å; W490-E504 PolarHBondContact NE1-OE1 3.33Å; W490-L507 HydrophobicContact CB-CD1 3.98Å; W490-E576 HydrophobicContact CH2-CB 3.73Å; W490-E576 HydrophobicContact CZ3-CB 3.92Å; W490-E576 WeakPolarHBondContact CZ3-O 3.38Å; W490-W578 HydrophobicContact CB-CD2 4.07Å; W490-W578 HydrophobicContact CB-CE3 4.05Å; W490-W578 HydrophobicContact CB-CH2 4.26Å; W490-W578 HydrophobicContact CB-CZ2 4.26Å; W490-W578 HydrophobicContact CB-CZ3 4.16Å; W490-W578 AromaticContact CD1-CD1 3.83Å; W490-W578 AromaticContact CD1-CD2 3.95Å; W490-W578 AromaticContact CD1-CE2 3.42Å; W490-W578 VanDerWaalsContact CD1-CE2 3.42Å; W490-W578 AromaticContact CD1-CZ2 3.76Å; W490-W578 AromaticContact CD1-NE1 3.38Å; W490-W578 HydrophobicContact CD2-CB 3.94Å; W490-W578 AromaticContact CD2-CD1 3.63Å; W490-W578 AromaticContact CD2-CD2 3.84Å; W490-W578 HydrophobicContact CD2-CD2 3.84Å; W490-W578 AromaticContact CD2-CG 3.55Å; W490-W578 HydrophobicContact CD2-CG 3.55Å; W490-W578 AromaticContact CD2-NE1 3.98Å; W490-W578 AromaticContact CE2-CD1 3.2Å; W490-W578 AromaticContact CE2-CG 3.64Å; W490-W578 AromaticContact CE2-NE1 3.58Å; W490-W578 HydrophobicContact CE3-CB 3.67Å; W490-W578 HydrophobicContact CE3-CD2 4.35Å; W490-W578 AromaticContact CE3-CG 3.84Å; W490-W578 HydrophobicContact CE3-CG 3.84Å; W490-W578 AromaticContact CG-CD2 3.7Å; W490-W578 HydrophobicContact CG-CD2 3.7Å; W490-W578 AromaticContact CG-CE2 3.65Å; W490-W578 HydrophobicContact CG-CE3 4.19Å; W490-W578 AromaticContact CG-CG 3.95Å; W490-W578 HydrophobicContact CG-CG 3.95Å; W490-W578 HydrophobicContact CG-CZ2 4.09Å; W490-W578 AromaticContact CG-NE1 3.87Å; W490-W578 HydrophobicContact CH2-CB 4Å; W490-W578 HydrophobicContact CH2-CG 4.3Å; W490-W578 HydrophobicContact CZ2-CB 4.22Å; W490-W578 AromaticContact CZ2-CD1 3.51Å; W490-W578 HydrophobicContact CZ2-CG 4.02Å; W490-W578 HydrophobicContact CZ3-CB 3.71Å; W490-W578 HydrophobicContact CZ3-CG 4.21Å; W490-W578 AromaticContact NE1-CD1 3.32Å; W490-W578 VanDerWaalsContact NE1-CD1 3.32Å; W490-W578 AromaticContact NE1-CE2 3.71Å; W490-W578 AromaticContact NE1-CG 4Å; W490-W578 AromaticContact NE1-NE1 3.15Å; W490-W578 VanDerWaalsContact NE1-NE1 3.15Å
491	Q	98.9	Very high	98.4	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	11%	0.106	C	C	.	.	H	α-helix	trans	-57.4	-39.1	173.5	-55.8	-64.7	-26	0	0	111.8	I394 L398 D487 C488 V489 R494 Q495 L575 E576	I394-Q491 HydrophobicContact CG2-CG 3.88Å; L398-Q491 HydrophobicContact CD1-CB 3.91Å; L398-Q491 HydrophobicContact CD1-CG 4.07Å; D487-Q491 WeakPolarHBondContact O-CG 3.37Å; D487-Q491 PolarHBondContact O-N 2.66Å; D487-Q491 PolarHBondContact OD1-NE2 3.21Å; C488-Q491 WeakPolarHBondContact O-CB 2.97Å; C488-Q491 PolarHBondContact O-N 2.72Å; V489-Q491 VanDerWaalsContact C-N 3.33Å; V489-Q491 PolarHBondContact O-N 3.03Å; Q491-R494 PolarHBondContact O-N 2.92Å; Q491-Q495 PolarHBondContact O-N 3.47Å; Q491-L575 HydrophobicContact CB-CD2 4.09Å; Q491-L575 HydrophobicContact CG-CD2 3.97Å; Q491-E576 PolarHBondContact NE2-O 3.19Å; Q491-E576 VanDerWaalsContact OE1-N 3.07Å
492	L	98.8	Very high	98.4	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	11%	0.106	C	C	.	.	H	α-helix	trans	-67.3	-40.8	175.7	-61	178	0	0	0	112	L398 L432 M436 C488 V489 W490 R494 Q495 F496 F500 P568	L398-L492 HydrophobicContact CD2-CD2 4.13Å; L398-L492 HydrophobicContact CD2-CG 4.28Å; L432-L492 HydrophobicContact CD2-CD1 4.25Å; M436-L492 HydrophobicContact CE-CD1 4.42Å; M436-L492 HydrophobicContact CE-CD2 4.24Å; C488-L492 WeakPolarHBondContact O-CG 2.84Å; C488-L492 PolarHBondContact O-N 2.9Å; C488-L492 VanDerWaalsContact O-N 3.15Å; V489-L492 WeakPolarHBondContact O-CB 3.46Å; V489-L492 PolarHBondContact O-N 2.66Å; V489-L492 VanDerWaalsContact O-N 3.08Å; W490-L492 PolarHBondContact O-N 2.99Å; L492-R494 VanDerWaalsContact C-N 3.26Å; L492-R494 PolarHBondContact O-N 3.34Å; L492-Q495 PolarHBondContact O-N 3.27Å; L492-F496 WeakPolarHBondContact O-CB 3.32Å; L492-F496 WeakPolarHBondContact O-CD2 3.48Å; L492-F496 PolarHBondContact O-N 3.22Å; L492-F500 HydrophobicContact CB-CE2 3.84Å; L492-F500 HydrophobicContact CB-CZ 3.62Å; L492-F500 HydrophobicContact CD1-CZ 4.23Å; L492-P568 HydrophobicContact CD2-CB 3.67Å; L492-P568 HydrophobicContact CD2-CG 3.65Å
493	T	98.4	Very high	98.4	Very high	23 Å²	23	21.1 Å²	21.1	14%	0.141	11%	0.107	C	C	.	.	H	α-helix	trans	-66.5	-30.2	177.6	72.2	0	0	0	0	112.1	V489 W490 F496 P497 F500 F502 L507	V489-T493 HydrophobicContact CG1-CG2 4.48Å; V489-T493 WeakPolarHBondContact O-CG2 3.39Å; V489-T493 PolarHBondContact O-N 3.16Å; W490-T493 PolarHBondContact O-N 3.35Å; W490-T493 VanDerWaalsContact O-N 3.09Å; W490-T493 PolarHBondContact O-OG1 2.78Å; T493-F496 CarbonylContact O-C 3.55Å; T493-P497 WeakPolarHBondContact O-CA 2.85Å; T493-F500 HydrophobicContact CG2-CB 4.18Å; T493-F500 HydrophobicContact CG2-CD1 4.32Å; T493-F500 HydrophobicContact CG2-CD2 3.76Å; T493-F500 HydrophobicContact CG2-CE2 4.2Å; T493-F500 HydrophobicContact CG2-CG 3.83Å; T493-F502 HydrophobicContact CG2-CE2 3.97Å; T493-L507 HydrophobicContact CG2-CD1 4.39Å
494	R	98.3	Very high	98.3	Very high	124 Å²	124	23.7 Å²	23.7	47%	0.468	12%	0.119	S	C	.	.	H	α-helix	trans	-65.9	-44.9	172.8	-67	-64.7	-61.4	146.4	4.4	112.3	W490 Q491 L492 E576	W490-R494 HydrophobicContact CD2-CG 3.92Å; W490-R494 HydrophobicContact CE3-CG 4.14Å; W490-R494 HydrophobicContact CH2-CG 3.97Å; W490-R494 HydrophobicContact CZ2-CG 3.76Å; W490-R494 HydrophobicContact CZ3-CG 4.15Å; W490-R494 VanDerWaalsContact O-CG 3.29Å; W490-R494 WeakPolarHBondContact O-CG 3.37Å; W490-R494 PolarHBondContact O-N 2.8Å; Q491-R494 PolarHBondContact O-N 2.92Å; L492-R494 VanDerWaalsContact C-N 3.26Å; L492-R494 PolarHBondContact O-N 3.34Å; R494-E576 IonicContact CZ-OE1 3.96Å; R494-E576 IonicContact NE-OE1 3.51Å; R494-E576 PolarHBondContact NE-OE1 3.22Å; R494-E576 IonicContact NE-OE2 2.85Å; R494-E576 IonicContact NH2-OE1 3.3Å; R494-E576 PolarHBondContact NH2-OE1 3.29Å; R494-E576 IonicContact NH2-OE2 3.81Å; R494-E576 PolarHBondContact NH2-OE2 2.68Å
495	Q	98.1	Very high	98.3	Very high	49 Å²	49	25.6 Å²	25.6	23%	0.229	13%	0.127	C	C	.	.	H	α-helix	trans	-77.6	-27.9	-179.9	-64.4	-172.4	28.8	0	0	113	Q491 L492 P497 V569	Q491-Q495 PolarHBondContact O-N 3.47Å; L492-Q495 PolarHBondContact O-N 3.27Å; Q495-P497 WeakPolarHBondContact O-CD 3.45Å; Q495-V569 PolarHBondContact NE2-O 3.24Å
496	F	97.6	Very high	98.3	Very high	44 Å²	44	25.6 Å²	25.6	19%	0.193	13%	0.127	C	C	.	.			trans	-126.7	70.3	-177.9	-55.2	-76.8	0	0	0	111.8	L492 T493 A498 A499 F500 L566 P568	L492-F496 WeakPolarHBondContact O-CB 3.32Å; L492-F496 WeakPolarHBondContact O-CD2 3.48Å; L492-F496 PolarHBondContact O-N 3.22Å; T493-F496 CarbonylContact O-C 3.55Å; F496-A498 PolarHBondContact O-N 3.14Å; F496-A499 HydrophobicContact CB-CB 3.63Å; F496-A499 PolarHBondContact O-N 2.93Å; F496-F500 HydrophobicContact CB-CE2 4.36Å; F496-L566 HydrophobicContact CB-CD1 4.38Å; F496-L566 HydrophobicContact CB-CD2 4.47Å; F496-L566 HydrophobicContact CD1-CD2 3.93Å; F496-L566 HydrophobicContact CD2-CB 4.27Å; F496-L566 HydrophobicContact CD2-CD1 4Å; F496-L566 HydrophobicContact CD2-CD2 4.37Å; F496-L566 HydrophobicContact CD2-CG 4.46Å; F496-L566 HydrophobicContact CE1-CD2 4.23Å; F496-L566 HydrophobicContact CE2-CB 3.99Å; F496-L566 HydrophobicContact CG-CD1 4.19Å; F496-L566 HydrophobicContact CG-CD2 4.01Å; F496-L566 HydrophobicContact CZ-CB 4.2Å; F496-P568 HydrophobicContact CE2-CB 3.96Å
497	P	96.8	Very high	98.3	Very high	84 Å²	84	25.6 Å²	25.6	55%	0.545	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-15.7	-169.5	24.9	-35.8	0	0	0	115.2	T493 Q495 N555	T493-P497 WeakPolarHBondContact O-CA 2.85Å; Q495-P497 WeakPolarHBondContact O-CD 3.45Å; P497-N555 PolarHBondContact O-ND2 3.11Å
498	A	96.6	Very high	98.2	Very high	31 Å²	31	26.1 Å²	26.1	26%	0.256	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-4.2	178.1	0	0	0	0	0	113.8	F496 M557 Y558 V559	F496-A498 PolarHBondContact O-N 3.14Å; A498-M557 WeakPolarHBondContact CA-O 3.22Å; A498-M557 VanDerWaalsContact CB-O 3.25Å; A498-M557 WeakPolarHBondContact CB-O 3.43Å; A498-Y558 WeakPolarHBondContact O-CA 3.45Å; A498-V559 HydrophobicContact CB-CG2 4.4Å; A498-V559 PolarHBondContact O-N 3.22Å
499	A	97.7	Very high	98.2	Very high	4 Å²	4	26.4 Å²	26.4	3%	0.033	13%	0.132	C	C	.	.	S	Bend	trans	-87.2	-16	-170.2	0	0	0	0	0	114.4	R442 F496 L566	R442-A499 WeakPolarHBondContact CB-O 3.28Å; F496-A499 HydrophobicContact CB-CB 3.63Å; F496-A499 PolarHBondContact O-N 2.93Å; A499-L566 HydrophobicContact CB-CD1 3.99Å; A499-L566 HydrophobicContact CB-CD2 4.04Å
500	F	98.1	Very high	98.2	Very high	1 Å²	1	26.4 Å²	26.4	0%	0.004	13%	0.132	C	C	.	.			trans	-117	132.6	-176	-62.2	-93.1	0	0	0	110.7	L435 R442 L492 T493 F496 F502 N555 Y558 L566	L435-F500 HydrophobicContact CD2-CE1 4.27Å; R442-F500 HydrophobicContact CB-CD1 3.83Å; R442-F500 HydrophobicContact CB-CE1 4.2Å; R442-F500 HydrophobicContact CB-CG 4.45Å; R442-F500 HydrophobicContact CG-CD1 3.79Å; R442-F500 HydrophobicContact CG-CE1 3.62Å; R442-F500 HydrophobicContact CG-CZ 4.27Å; R442-F500 WeakPolarHBondContact O-CA 3.26Å; L492-F500 HydrophobicContact CB-CE2 3.84Å; L492-F500 HydrophobicContact CB-CZ 3.62Å; L492-F500 HydrophobicContact CD1-CZ 4.23Å; T493-F500 HydrophobicContact CG2-CB 4.18Å; T493-F500 HydrophobicContact CG2-CD1 4.32Å; T493-F500 HydrophobicContact CG2-CD2 3.76Å; T493-F500 HydrophobicContact CG2-CE2 4.2Å; T493-F500 HydrophobicContact CG2-CG 3.83Å; F496-F500 HydrophobicContact CB-CE2 4.36Å; F500-F502 VanDerWaalsContact C-N 3.34Å; F500-F502 HydrophobicContact CB-CD2 4.42Å; F500-F502 HydrophobicContact CB-CE1 4.39Å; F500-F502 HydrophobicContact CB-CE2 4.16Å; F500-F502 HydrophobicContact CB-CZ 4.18Å; F500-F502 AromaticContact CD1-CE1 3.83Å; F500-F502 HydrophobicContact CD1-CE1 3.83Å; F500-F502 AromaticContact CD1-CE2 3.9Å; F500-F502 HydrophobicContact CD1-CE2 3.9Å; F500-F502 AromaticContact CD1-CZ 3.31Å; F500-F502 HydrophobicContact CD1-CZ 3.31Å; F500-F502 HydrophobicContact CE1-CZ 4.02Å; F500-F502 HydrophobicContact CG-CE2 4.29Å; F500-F502 HydrophobicContact CG-CZ 4.1Å; F500-N555 WeakPolarHBondContact O-CB 3.49Å; F500-N555 PolarHBondContact O-ND2 3.14Å; F500-Y558 WeakPolarHBondContact O-CD2 3.47Å; F500-L566 HydrophobicContact CE2-CD1 3.83Å; F500-L566 HydrophobicContact CZ-CD1 3.83Å
501	E	98.4	Very high	98.2	Very high	55 Å²	55	25.8 Å²	25.8	26%	0.257	13%	0.129	S	C	.	.	S	Bend	trans	-72.7	-31.2	178.1	-172.7	179.7	-146.1	0	0	111.6	R442 T443 I444 T554 N555 Y558	R442-E501 PolarHBondContact O-N 2.92Å; T443-E501 VanDerWaalsContact CA-OE2 3.31Å; T443-E501 WeakPolarHBondContact CA-OE2 3.47Å; T443-E501 VanDerWaalsContact CB-OE2 3.27Å; T443-E501 WeakPolarHBondContact CB-OE2 3.19Å; I444-E501 HydrophobicContact CD1-CG 4.07Å; I444-E501 HydrophobicContact CG1-CB 4.27Å; I444-E501 HydrophobicContact CG1-CG 4Å; I444-E501 PolarHBondContact N-OE2 3.06Å; E501-T554 CarbonylContact O-C 3.53Å; E501-T554 WeakPolarHBondContact O-CA 3.27Å; E501-N555 WeakPolarHBondContact O-CB 3.46Å; E501-N555 PolarHBondContact O-N 3.2Å; E501-Y558 VanDerWaalsContact CA-CG 3.45Å; E501-Y558 HydrophobicContact CB-CD1 3.74Å; E501-Y558 HydrophobicContact CB-CD2 4.05Å; E501-Y558 HydrophobicContact CB-CE1 3.83Å; E501-Y558 HydrophobicContact CB-CE2 4.13Å; E501-Y558 HydrophobicContact CB-CG 3.86Å; E501-Y558 HydrophobicContact CG-CD1 3.76Å; E501-Y558 HydrophobicContact CG-CE1 4.01Å; E501-Y558 HydrophobicContact CG-CG 4.24Å; E501-Y558 VanDerWaalsContact N-CD2 3.28Å
502	F	98.6	Very high	98.2	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.009	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-84	150.6	176.3	52.9	-96.8	0	0	0	112.2	I444 F447 V489 T493 F500 F506 L507 F553	I444-F502 HydrophobicContact CG1-CB 3.91Å; F447-F502 HydrophobicContact CB-CD1 4.01Å; F447-F502 HydrophobicContact CB-CE1 3.61Å; F447-F502 HydrophobicContact CB-CZ 4.47Å; F447-F502 HydrophobicContact CD1-CE1 4.47Å; F447-F502 AromaticContact CD2-CE1 3.58Å; F447-F502 HydrophobicContact CD2-CE1 3.58Å; F447-F502 AromaticContact CD2-CZ 3.6Å; F447-F502 HydrophobicContact CD2-CZ 3.6Å; F447-F502 HydrophobicContact CE2-CE1 4.35Å; F447-F502 AromaticContact CE2-CZ 3.92Å; F447-F502 HydrophobicContact CE2-CZ 3.92Å; F447-F502 HydrophobicContact CG-CD1 4.26Å; F447-F502 AromaticContact CG-CE1 3.64Å; F447-F502 HydrophobicContact CG-CE1 3.64Å; F447-F502 HydrophobicContact CG-CZ 4.02Å; V489-F502 HydrophobicContact CG1-CE2 3.81Å; V489-F502 HydrophobicContact CG1-CZ 3.87Å; T493-F502 HydrophobicContact CG2-CE2 3.97Å; F500-F502 VanDerWaalsContact C-N 3.34Å; F500-F502 HydrophobicContact CB-CD2 4.42Å; F500-F502 HydrophobicContact CB-CE1 4.39Å; F500-F502 HydrophobicContact CB-CE2 4.16Å; F500-F502 HydrophobicContact CB-CZ 4.18Å; F500-F502 AromaticContact CD1-CE1 3.83Å; F500-F502 HydrophobicContact CD1-CE1 3.83Å; F500-F502 AromaticContact CD1-CE2 3.9Å; F500-F502 HydrophobicContact CD1-CE2 3.9Å; F500-F502 AromaticContact CD1-CZ 3.31Å; F500-F502 HydrophobicContact CD1-CZ 3.31Å; F500-F502 HydrophobicContact CE1-CZ 4.02Å; F500-F502 HydrophobicContact CG-CE2 4.29Å; F500-F502 HydrophobicContact CG-CZ 4.1Å; F502-F506 HydrophobicContact CB-CB 3.92Å; F502-F506 HydrophobicContact CB-CD1 3.4Å; F502-F506 VanDerWaalsContact CB-CD1 3.4Å; F502-F506 HydrophobicContact CB-CD2 4.31Å; F502-F506 HydrophobicContact CB-CE1 3.86Å; F502-F506 HydrophobicContact CB-CG 3.64Å; F502-F506 HydrophobicContact CB-CZ 4.48Å; F502-F506 HydrophobicContact CD1-CD1 4.31Å; F502-F506 HydrophobicContact CD1-CE1 4.01Å; F502-F506 AromaticContact CD2-CD1 3.74Å; F502-F506 HydrophobicContact CD2-CD1 3.74Å; F502-F506 HydrophobicContact CD2-CE1 4.11Å; F502-F506 AromaticContact CG-CD1 3.56Å; F502-F506 HydrophobicContact CG-CD1 3.56Å; F502-F506 AromaticContact CG-CE1 3.73Å; F502-F506 HydrophobicContact CG-CE1 3.73Å; F502-F506 HydrophobicContact CG-CG 4.31Å; F502-L507 HydrophobicContact CD2-CD2 3.96Å; F502-L507 HydrophobicContact CD2-CG 4.18Å; F502-L507 HydrophobicContact CE2-CD1 4.32Å; F502-L507 HydrophobicContact CE2-CD2 3.72Å; F502-L507 HydrophobicContact CE2-CG 4.2Å; F502-F553 CarbonylContact C-O 3.54Å; F502-F553 VanDerWaalsContact CA-O 3.25Å; F502-F553 WeakPolarHBondContact CA-O 3.48Å
503	N	98.2	Very high	98.2	Very high	8 Å²	8	28.4 Å²	28.4	4%	0.043	14%	0.143	C	C	.	.			trans	-98.3	-178.8	175.9	67	29.5	0	0	0	112.3	Y505 F506 E552 F553 T554 N555	N503-Y505 VanDerWaalsContact C-N 3.31Å; N503-Y505 PolarHBondContact O-N 3.5Å; N503-Y505 WeakPolarHBondContact OD1-CA 3.32Å; N503-Y505 WeakPolarHBondContact OD1-CB 3.38Å; N503-Y505 PolarHBondContact OD1-N 2.89Å; N503-F506 WeakPolarHBondContact O-CB 3.28Å; N503-F506 PolarHBondContact O-N 3.14Å; N503-F506 PolarHBondContact OD1-N 2.85Å; N503-F506 VanDerWaalsContact OD1-N 3.1Å; N503-E552 PolarHBondContact ND2-O 3.28Å; N503-F553 VanDerWaalsContact CG-O 3.22Å; N503-F553 PolarHBondContact N-O 2.97Å; N503-F553 VanDerWaalsContact ND2-C 3.29Å; N503-F553 PolarHBondContact ND2-O 3.33Å; N503-F553 PolarHBondContact OD1-O 2.87Å; N503-T554 PolarHBondContact ND2-O 3.04Å; N503-N555 HydrophobicContact CB-CB 4.34Å
504	E	97.9	Very high	98.2	Very high	56 Å²	56	27.4 Å²	27.4	26%	0.262	14%	0.136	S	C	.	.	H	α-helix	trans	-62.7	-35.8	178.2	178.6	177.1	-147.2	0	0	112.9	W490 F506 L507 V508 W578	W490-E504 PolarHBondContact NE1-OE1 3.33Å; E504-F506 VanDerWaalsContact C-N 3.29Å; E504-F506 PolarHBondContact O-N 2.94Å; E504-L507 PolarHBondContact O-N 3.46Å; E504-L507 VanDerWaalsContact O-N 3.08Å; E504-V508 HydrophobicContact CG-CG2 4.27Å; E504-V508 WeakPolarHBondContact O-CG2 3.46Å; E504-V508 PolarHBondContact O-N 3.43Å; E504-W578 HydrophobicContact CG-CZ2 4.16Å; E504-W578 PolarHBondContact OE1-NE1 2.98Å
505	Y	98	Very high	98.3	Very high	42 Å²	42	22 Å²	22	17%	0.165	12%	0.116	C	C	.	.	H	α-helix	trans	-61.9	-38.5	-179.2	-178	-115.3	0	0	0	111.4	N503 L507 V508 T509 E552 F553 H596	N503-Y505 VanDerWaalsContact C-N 3.31Å; N503-Y505 PolarHBondContact O-N 3.5Å; N503-Y505 WeakPolarHBondContact OD1-CA 3.32Å; N503-Y505 WeakPolarHBondContact OD1-CB 3.38Å; N503-Y505 PolarHBondContact OD1-N 2.89Å; Y505-L507 PolarHBondContact O-N 2.85Å; Y505-V508 PolarHBondContact O-N 3.02Å; Y505-T509 WeakPolarHBondContact O-CB 3.12Å; Y505-T509 PolarHBondContact O-N 3.29Å; Y505-T509 PolarHBondContact O-OG1 3.11Å; Y505-E552 HydrophobicContact CD1-CB 4.41Å; Y505-E552 HydrophobicContact CE1-CB 4.27Å; Y505-F553 AromaticContact CD1-CD1 3.78Å; Y505-F553 HydrophobicContact CD1-CD1 3.78Å; Y505-F553 AromaticContact CD1-CE1 3.55Å; Y505-F553 HydrophobicContact CD1-CE1 3.55Å; Y505-F553 HydrophobicContact CE1-CD1 4.24Å; Y505-F553 AromaticContact CE1-CE1 3.57Å; Y505-F553 HydrophobicContact CE1-CE1 3.57Å; Y505-F553 HydrophobicContact CE1-CZ 4.2Å; Y505-H596 HydrophobicContact CD1-CB 4.18Å; Y505-H596 AromaticContact CD1-CG 3.95Å; Y505-H596 AromaticContact CD2-ND1 3.76Å; Y505-H596 AromaticContact CE2-CE1 4Å; Y505-H596 HydrophobicContact CG-CB 3.97Å; Y505-H596 AromaticContact CG-CG 3.78Å; Y505-H596 AromaticContact CG-ND1 3.89Å
506	F	98.8	Very high	98.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-55.8	-47.1	171	172.3	-96.2	0	0	0	112.9	I444 F447 E448 F502 N503 E504 T509 I510 I546 F553	I444-F506 HydrophobicContact CG2-CE2 4.07Å; F447-F506 HydrophobicContact CB-CZ 4.49Å; F447-F506 AromaticContact CD1-CE1 3.41Å; F447-F506 HydrophobicContact CD1-CE1 3.41Å; F447-F506 VanDerWaalsContact CD1-CE1 3.41Å; F447-F506 AromaticContact CD1-CZ 3.71Å; F447-F506 HydrophobicContact CD1-CZ 3.71Å; F447-F506 AromaticContact CE1-CE1 3.81Å; F447-F506 HydrophobicContact CE1-CE1 3.81Å; F447-F506 HydrophobicContact CE1-CZ 4.42Å; F447-F506 HydrophobicContact CG-CE1 4.15Å; F447-F506 HydrophobicContact CG-CZ 4.47Å; E448-F506 HydrophobicContact CG-CZ 4.48Å; F502-F506 HydrophobicContact CB-CB 3.92Å; F502-F506 HydrophobicContact CB-CD1 3.4Å; F502-F506 VanDerWaalsContact CB-CD1 3.4Å; F502-F506 HydrophobicContact CB-CD2 4.31Å; F502-F506 HydrophobicContact CB-CE1 3.86Å; F502-F506 HydrophobicContact CB-CG 3.64Å; F502-F506 HydrophobicContact CB-CZ 4.48Å; F502-F506 HydrophobicContact CD1-CD1 4.31Å; F502-F506 HydrophobicContact CD1-CE1 4.01Å; F502-F506 AromaticContact CD2-CD1 3.74Å; F502-F506 HydrophobicContact CD2-CD1 3.74Å; F502-F506 HydrophobicContact CD2-CE1 4.11Å; F502-F506 AromaticContact CG-CD1 3.56Å; F502-F506 HydrophobicContact CG-CD1 3.56Å; F502-F506 AromaticContact CG-CE1 3.73Å; F502-F506 HydrophobicContact CG-CE1 3.73Å; F502-F506 HydrophobicContact CG-CG 4.31Å; N503-F506 WeakPolarHBondContact O-CB 3.28Å; N503-F506 PolarHBondContact O-N 3.14Å; N503-F506 PolarHBondContact OD1-N 2.85Å; N503-F506 VanDerWaalsContact OD1-N 3.1Å; E504-F506 VanDerWaalsContact C-N 3.29Å; E504-F506 PolarHBondContact O-N 2.94Å; F506-T509 PolarHBondContact O-N 2.79Å; F506-I510 HydrophobicContact CD1-CD1 3.92Å; F506-I510 HydrophobicContact CE1-CD1 3.43Å; F506-I510 VanDerWaalsContact CE1-CD1 3.43Å; F506-I510 HydrophobicContact CE2-CD1 4.15Å; F506-I510 HydrophobicContact CG-CD1 4.48Å; F506-I510 HydrophobicContact CZ-CD1 3.57Å; F506-I510 WeakPolarHBondContact O-CG1 3.45Å; F506-I510 PolarHBondContact O-N 3.4Å; F506-I546 HydrophobicContact CD2-CD1 4.17Å; F506-I546 HydrophobicContact CD2-CG2 3.91Å; F506-I546 HydrophobicContact CE2-CD1 4.03Å; F506-I546 HydrophobicContact CE2-CG2 3.83Å; F506-F553 HydrophobicContact CB-CB 4.02Å; F506-F553 HydrophobicContact CB-CD1 3.85Å; F506-F553 HydrophobicContact CB-CG 4.31Å; F506-F553 HydrophobicContact CD2-CB 4.09Å; F506-F553 HydrophobicContact CD2-CD1 4.31Å; F506-F553 HydrophobicContact CD2-CG 4.24Å; F506-F553 HydrophobicContact CG-CB 4.5Å
507	L	98.8	Very high	98.3	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-65.3	-41.6	179.3	-60.7	180	0	0	0	111.8	F447 I486 V489 W490 T493 F502 E504 Y505 I510 L511 W578	F447-L507 HydrophobicContact CE1-CD2 4.23Å; F447-L507 HydrophobicContact CZ-CD2 4.14Å; I486-L507 HydrophobicContact CG2-CB 3.81Å; I486-L507 HydrophobicContact CG2-CD2 4.17Å; I486-L507 HydrophobicContact CG2-CG 4.42Å; V489-L507 HydrophobicContact CG1-CD1 4.13Å; V489-L507 HydrophobicContact CG1-CD2 3.97Å; W490-L507 HydrophobicContact CB-CD1 3.98Å; T493-L507 HydrophobicContact CG2-CD1 4.39Å; F502-L507 HydrophobicContact CD2-CD2 3.96Å; F502-L507 HydrophobicContact CD2-CG 4.18Å; F502-L507 HydrophobicContact CE2-CD1 4.32Å; F502-L507 HydrophobicContact CE2-CD2 3.72Å; F502-L507 HydrophobicContact CE2-CG 4.2Å; E504-L507 PolarHBondContact O-N 3.46Å; E504-L507 VanDerWaalsContact O-N 3.08Å; Y505-L507 PolarHBondContact O-N 2.85Å; L507-I510 PolarHBondContact O-N 3.02Å; L507-L511 PolarHBondContact O-N 3.07Å; L507-W578 HydrophobicContact CB-CH2 3.81Å; L507-W578 HydrophobicContact CB-CZ2 4.15Å
508	V	98.5	Very high	98.4	Very high	11 Å²	11	14.4 Å²	14.4	7%	0.067	8%	0.076	C	C	.	.	H	α-helix	trans	-64.3	-43.8	175.6	175.4	0	0	0	0	111.1	E504 Y505 I510 L511 D512 W578	E504-V508 HydrophobicContact CG-CG2 4.27Å; E504-V508 WeakPolarHBondContact O-CG2 3.46Å; E504-V508 PolarHBondContact O-N 3.43Å; Y505-V508 PolarHBondContact O-N 3.02Å; V508-I510 VanDerWaalsContact C-N 3.31Å; V508-I510 PolarHBondContact O-N 3.34Å; V508-L511 PolarHBondContact O-N 3.49Å; V508-L511 VanDerWaalsContact O-N 3.09Å; V508-D512 PolarHBondContact O-N 3.2Å; V508-W578 HydrophobicContact CG2-CH2 4.35Å; V508-W578 HydrophobicContact CG2-CZ2 3.65Å
509	T	98.8	Very high	98.5	Very high	5 Å²	5	13.2 Å²	13.2	3%	0.031	6%	0.064	C	C	.	.	H	α-helix	trans	-59.6	-40	176.4	-64.9	0	0	0	0	112	Y505 F506 L511 D512 H513 Y545 I546 F553	Y505-T509 WeakPolarHBondContact O-CB 3.12Å; Y505-T509 PolarHBondContact O-N 3.29Å; Y505-T509 PolarHBondContact O-OG1 3.11Å; F506-T509 PolarHBondContact O-N 2.79Å; T509-L511 VanDerWaalsContact C-N 3.35Å; T509-L511 PolarHBondContact O-N 3.01Å; T509-D512 PolarHBondContact O-N 3.23Å; T509-H513 WeakPolarHBondContact O-CB 3.42Å; T509-H513 PolarHBondContact O-CD2 3.08Å; T509-H513 VanDerWaalsContact O-CD2 3.3Å; T509-H513 PolarHBondContact O-N 2.67Å; T509-Y545 HydrophobicContact CG2-CE1 3.99Å; T509-I546 HydrophobicContact CG2-CD1 4.45Å; T509-I546 HydrophobicContact CG2-CG1 4.44Å; T509-F553 HydrophobicContact CG2-CE1 4.1Å; T509-F553 HydrophobicContact CG2-CZ 4.33Å
510	I	98.9	Very high	98.6	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-60.2	-44.9	173.2	-73.6	170.9	0	0	0	111	F447 L451 F482 I486 F506 L507 V508 H513 L514 F522 W543 I546	F447-I510 HydrophobicContact CD1-CD1 4.23Å; F447-I510 HydrophobicContact CE1-CD1 3.86Å; L451-I510 HydrophobicContact CD1-CD1 4.09Å; F482-I510 HydrophobicContact CE1-CG2 3.75Å; F482-I510 HydrophobicContact CZ-CG2 4.07Å; I486-I510 HydrophobicContact CD1-CG2 4.29Å; F506-I510 HydrophobicContact CD1-CD1 3.92Å; F506-I510 HydrophobicContact CE1-CD1 3.43Å; F506-I510 VanDerWaalsContact CE1-CD1 3.43Å; F506-I510 HydrophobicContact CE2-CD1 4.15Å; F506-I510 HydrophobicContact CG-CD1 4.48Å; F506-I510 HydrophobicContact CZ-CD1 3.57Å; F506-I510 WeakPolarHBondContact O-CG1 3.45Å; F506-I510 PolarHBondContact O-N 3.4Å; L507-I510 PolarHBondContact O-N 3.02Å; V508-I510 VanDerWaalsContact C-N 3.31Å; V508-I510 PolarHBondContact O-N 3.34Å; I510-H513 PolarHBondContact O-N 2.82Å; I510-L514 WeakPolarHBondContact O-CB 3.4Å; I510-L514 PolarHBondContact O-N 3.27Å; I510-F522 HydrophobicContact CG2-CE2 4.21Å; I510-F522 HydrophobicContact CG2-CZ 3.95Å; I510-W543 HydrophobicContact CD1-CH2 4.19Å; I510-W543 HydrophobicContact CD1-CZ3 4.05Å; I510-W543 HydrophobicContact CG1-CH2 4.3Å; I510-W543 HydrophobicContact CG1-CZ3 4.08Å; I510-I546 HydrophobicContact CG1-CD1 4.38Å
511	L	98.8	Very high	98.6	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-71.2	-32.6	179.7	-66.8	-177.2	0	0	0	113.3	F482 I483 I486 L507 V508 T509 L514 Y515 W578 Y581	F482-L511 HydrophobicContact CD1-CD2 4.43Å; I483-L511 HydrophobicContact CB-CD2 4.49Å; I483-L511 HydrophobicContact CG1-CD2 4Å; I483-L511 HydrophobicContact CG2-CD1 4.46Å; I486-L511 HydrophobicContact CB-CD1 4.16Å; I486-L511 HydrophobicContact CB-CD2 3.97Å; I486-L511 HydrophobicContact CB-CG 4.21Å; I486-L511 HydrophobicContact CG1-CD2 3.81Å; I486-L511 HydrophobicContact CG1-CG 4.37Å; I486-L511 HydrophobicContact CG2-CD1 3.85Å; I486-L511 HydrophobicContact CG2-CD2 4.26Å; I486-L511 HydrophobicContact CG2-CG 3.94Å; L507-L511 PolarHBondContact O-N 3.07Å; V508-L511 PolarHBondContact O-N 3.49Å; V508-L511 VanDerWaalsContact O-N 3.09Å; T509-L511 VanDerWaalsContact C-N 3.35Å; T509-L511 PolarHBondContact O-N 3.01Å; L511-L514 HydrophobicContact CD2-CD2 4.16Å; L511-L514 WeakPolarHBondContact O-CB 3.49Å; L511-Y515 WeakPolarHBondContact O-CD2 3.39Å; L511-W578 HydrophobicContact CD1-CH2 3.94Å; L511-W578 HydrophobicContact CD1-CZ3 3.74Å; L511-Y581 HydrophobicContact CB-CD2 4.36Å; L511-Y581 HydrophobicContact CB-CE2 3.56Å; L511-Y581 HydrophobicContact CD1-CD1 4.13Å; L511-Y581 HydrophobicContact CD1-CD2 3.81Å; L511-Y581 HydrophobicContact CD1-CE1 3.86Å; L511-Y581 HydrophobicContact CD1-CE2 3.53Å; L511-Y581 HydrophobicContact CD1-CG 4.11Å; L511-Y581 HydrophobicContact CG-CE2 4.19Å
512	D	98.7	Very high	98.6	Very high	41 Å²	41	10.6 Å²	10.6	22%	0.219	5%	0.052	C	C	.	.	H	α-helix	trans	-65.5	-44.4	172.1	-74.4	-25.1	0	0	0	110.6	V508 T509 Y515 S516 R584	V508-D512 PolarHBondContact O-N 3.2Å; T509-D512 PolarHBondContact O-N 3.23Å; D512-Y515 PolarHBondContact O-N 3.42Å; D512-S516 WeakPolarHBondContact O-CB 3.4Å; D512-S516 PolarHBondContact O-N 3.04Å; D512-R584 VanDerWaalsContact CG-NH1 3.28Å; D512-R584 IonicContact OD1-CZ 2.72Å; D512-R584 IonicContact OD1-NH1 3.68Å; D512-R584 PolarHBondContact OD1-NH1 2.89Å; D512-R584 IonicContact OD1-NH2 3.2Å; D512-R584 PolarHBondContact OD1-NH2 2.97Å; D512-R584 IonicContact OD2-CZ 3.58Å; D512-R584 IonicContact OD2-NH1 2.79Å; D512-R584 PolarHBondContact OD2-NH1 3.34Å
513	H	98.8	Very high	98.6	Very high	17 Å²	17	10.7 Å²	10.7	8%	0.079	5%	0.052	C	C	.	.	H	α-helix	trans	-78.8	-18.3	-179.9	-70.5	-51.3	0	0	0	115	T509 I510 Y515 S516 F519 V542	T509-H513 WeakPolarHBondContact O-CB 3.42Å; T509-H513 PolarHBondContact O-CD2 3.08Å; T509-H513 VanDerWaalsContact O-CD2 3.3Å; T509-H513 PolarHBondContact O-N 2.67Å; I510-H513 PolarHBondContact O-N 2.82Å; H513-Y515 PolarHBondContact O-N 2.85Å; H513-S516 WeakPolarHBondContact CA-OG 3.3Å; H513-S516 PolarHBondContact ND1-OG 3.28Å; H513-S516 PolarHBondContact O-OG 3.43Å; H513-F519 HydrophobicContact CB-CD2 4.04Å; H513-F519 HydrophobicContact CB-CE2 4.47Å; H513-F519 AromaticContact CD2-CE2 3.76Å; H513-F519 AromaticContact CE1-CE2 3.64Å; H513-F519 AromaticContact CG-CD2 3.72Å; H513-F519 AromaticContact CG-CE2 3.69Å; H513-F519 AromaticContact ND1-CD2 3.76Å; H513-F519 AromaticContact ND1-CE2 3.6Å; H513-F519 AromaticContact NE2-CE2 3.73Å; H513-V542 HydrophobicContact CB-CG2 3.91Å
514	L	98.8	Very high	98.7	Very high	1 Å²	1	11 Å²	11	1%	0.005	6%	0.055	C	C	.	.	H	α-helix	trans	-53.5	-44	163	176.4	69.1	0	0	0	110.3	F462 I466 H468 F482 I483 I510 L511 F522	F462-L514 HydrophobicContact CD1-CD1 3.57Å; F462-L514 HydrophobicContact CE1-CD1 3.76Å; I466-L514 HydrophobicContact CD1-CD1 4.02Å; I466-L514 HydrophobicContact CD1-CD2 3.79Å; I466-L514 HydrophobicContact CD1-CG 3.96Å; I466-L514 HydrophobicContact CG1-CD1 3.91Å; I466-L514 HydrophobicContact CG1-CG 4.18Å; H468-L514 PolarHBondContact CE1-O 3.49Å; F482-L514 HydrophobicContact CD1-CD1 3.92Å; F482-L514 HydrophobicContact CD1-CD2 3.95Å; F482-L514 HydrophobicContact CD1-CG 4.45Å; F482-L514 HydrophobicContact CE1-CD1 4.46Å; I483-L514 HydrophobicContact CD1-CD2 3.79Å; I483-L514 HydrophobicContact CG1-CD2 4.01Å; I510-L514 WeakPolarHBondContact O-CB 3.4Å; I510-L514 PolarHBondContact O-N 3.27Å; L511-L514 HydrophobicContact CD2-CD2 4.16Å; L511-L514 WeakPolarHBondContact O-CB 3.49Å; L514-F522 HydrophobicContact CB-CD2 4.44Å; L514-F522 HydrophobicContact CD1-CB 4.05Å; L514-F522 HydrophobicContact CD1-CD1 4.44Å; L514-F522 HydrophobicContact CD1-CD2 4.44Å; L514-F522 HydrophobicContact CD1-CG 4.07Å
515	Y	98.6	Very high	98.7	Very high	12 Å²	12	9.4 Å²	9.4	5%	0.047	5%	0.048	C	C	.	.	H	α-helix	trans	-91.3	-34.4	-177.9	-60.4	-49.2	0	0	0	114.1	G133 K157 I466 I483 L511 D512 H513 C517 Y581	G133-Y515 CarbonylContact C-O 3.48Å; G133-Y515 WeakPolarHBondContact CA-O 3.16Å; K157-Y515 HydrophobicContact CB-CD1 3.89Å; K157-Y515 HydrophobicContact CB-CD2 4.19Å; K157-Y515 HydrophobicContact CB-CE1 3.8Å; K157-Y515 HydrophobicContact CB-CE2 4.08Å; K157-Y515 HydrophobicContact CB-CG 4.1Å; K157-Y515 HydrophobicContact CD-CD1 3.62Å; K157-Y515 HydrophobicContact CD-CE1 3.98Å; K157-Y515 HydrophobicContact CD-CG 4.27Å; K157-Y515 HydrophobicContact CG-CD1 4.37Å; K157-Y515 HydrophobicContact CG-CE1 4.41Å; I466-Y515 HydrophobicContact CD1-CE1 3.97Å; I466-Y515 HydrophobicContact CG2-CD1 3.56Å; I466-Y515 HydrophobicContact CG2-CE1 3.84Å; I483-Y515 WeakPolarHBondContact CD1-OH 3.27Å; I483-Y515 WeakPolarHBondContact CG1-OH 3.45Å; L511-Y515 WeakPolarHBondContact O-CD2 3.39Å; D512-Y515 PolarHBondContact O-N 3.42Å; H513-Y515 PolarHBondContact O-N 2.85Å; Y515-C517 PolarHBondContact O-N 2.98Å; Y515-C517 VanDerWaalsContact O-N 3.1Å; Y515-C517 PolarHBondContact O-SG 3.07Å; Y515-Y581 WeakPolarHBondContact CE2-OH 3.31Å
516	S	98.4	Very high	98.7	Very high	4 Å²	4	7.5 Å²	7.5	3%	0.028	4%	0.041	C	C	.	.	H	α-helix	trans	-56.8	-32.6	-168.8	71.1	0	0	0	0	114.2	D512 H513 L518	D512-S516 WeakPolarHBondContact O-CB 3.4Å; D512-S516 PolarHBondContact O-N 3.04Å; H513-S516 WeakPolarHBondContact CA-OG 3.3Å; H513-S516 PolarHBondContact ND1-OG 3.28Å; H513-S516 PolarHBondContact O-OG 3.43Å; S516-L518 PolarHBondContact O-N 3.07Å; S516-L518 WeakPolarHBondContact OG-CB 3.41Å; S516-L518 PolarHBondContact OG-N 3.47Å; S516-L518 VanDerWaalsContact OG-N 3.09Å
517	C	98.5	Very high	98.7	Very high	9 Å²	9	8.8 Å²	8.8	6%	0.061	5%	0.047	C	C	.	.			trans	52.2	31.8	-167	-54.6	0	0	0	0	113.8	I194 A196 H468 Y515	I194-C517 HydrophobicContact CG2-CB 3.41Å; I194-C517 VanDerWaalsContact CG2-CB 3.41Å; A196-C517 WeakPolarHBondContact CB-O 3.36Å; A196-C517 PolarHBondContact N-O 3.28Å; H468-C517 VanDerWaalsContact CB-SG 3.56Å; H468-C517 VanDerWaalsContact CG-SG 3.55Å; H468-C517 PolarHBondContact ND1-SG 3.15Å; Y515-C517 PolarHBondContact O-N 2.98Å; Y515-C517 VanDerWaalsContact O-N 3.1Å; Y515-C517 PolarHBondContact O-SG 3.07Å
518	L	98.7	Very high	98.7	Very high	4 Å²	4	12.2 Å²	12.2	2%	0.021	6%	0.063	C	C	.	.	S	Bend	trans	-73.8	-35.6	169.1	-176.7	59.6	0	0	0	111.5	L82 Y113 F195 A196 Y199 S516	L82-L518 HydrophobicContact CD1-CD1 3.68Å; L82-L518 HydrophobicContact CD1-CD2 4.39Å; Y113-L518 HydrophobicContact CD2-CD1 4.36Å; Y113-L518 HydrophobicContact CE2-CB 3.77Å; Y113-L518 HydrophobicContact CE2-CD1 3.93Å; Y113-L518 HydrophobicContact CE2-CG 4.36Å; F195-L518 HydrophobicContact CD1-CD1 3.7Å; F195-L518 HydrophobicContact CE1-CD1 3.54Å; A196-L518 WeakPolarHBondContact CA-O 3.43Å; Y199-L518 HydrophobicContact CD1-CD1 3.84Å; Y199-L518 HydrophobicContact CD1-CG 4.12Å; Y199-L518 HydrophobicContact CD2-CD1 3.66Å; Y199-L518 HydrophobicContact CE1-CD1 3.97Å; Y199-L518 HydrophobicContact CE1-CD2 4.45Å; Y199-L518 HydrophobicContact CE1-CG 4Å; Y199-L518 HydrophobicContact CE2-CD1 3.81Å; Y199-L518 HydrophobicContact CG-CD1 3.67Å; Y199-L518 HydrophobicContact CG-CG 4.44Å; S516-L518 PolarHBondContact O-N 3.07Å; S516-L518 WeakPolarHBondContact OG-CB 3.41Å; S516-L518 PolarHBondContact OG-N 3.47Å; S516-L518 VanDerWaalsContact OG-N 3.09Å
519	F	98.9	Very high	98.7	Very high	5 Å²	5	15 Å²	15	2%	0.022	8%	0.075	C	C	.	.	S	Bend	trans	-112.8	155.5	-178.9	-58	-74.4	0	0	0	110.9	Y199 F203 H513 T521 V540 S541 V542 Y545	Y199-F519 HydrophobicContact CE1-CD1 4.39Å; Y199-F519 AromaticContact CE1-CE1 3.86Å; Y199-F519 HydrophobicContact CE1-CE1 3.86Å; Y199-F519 HydrophobicContact CE1-CZ 4.44Å; F203-F519 HydrophobicContact CE2-CE1 4.24Å; H513-F519 HydrophobicContact CB-CD2 4.04Å; H513-F519 HydrophobicContact CB-CE2 4.47Å; H513-F519 AromaticContact CD2-CE2 3.76Å; H513-F519 AromaticContact CE1-CE2 3.64Å; H513-F519 AromaticContact CG-CD2 3.72Å; H513-F519 AromaticContact CG-CE2 3.69Å; H513-F519 AromaticContact ND1-CD2 3.76Å; H513-F519 AromaticContact ND1-CE2 3.6Å; H513-F519 AromaticContact NE2-CE2 3.73Å; F519-T521 VanDerWaalsContact C-N 3.35Å; F519-V540 CarbonylContact C-O 3.43Å; F519-V540 VanDerWaalsContact CA-O 3.31Å; F519-V540 WeakPolarHBondContact CA-O 3.29Å; F519-V540 WeakPolarHBondContact CB-O 3.22Å; F519-V540 HydrophobicContact CD1-CB 3.96Å; F519-V540 HydrophobicContact CD1-CG1 3.88Å; F519-V540 HydrophobicContact CE1-CB 4.36Å; F519-V540 HydrophobicContact CE1-CG1 3.92Å; F519-S541 WeakPolarHBondContact CD1-O 3.22Å; F519-V542 HydrophobicContact CB-CB 4.04Å; F519-V542 HydrophobicContact CD1-CB 4.49Å; F519-V542 HydrophobicContact CD2-CB 3.72Å; F519-V542 HydrophobicContact CD2-CG2 3.7Å; F519-V542 HydrophobicContact CE2-CB 4.28Å; F519-V542 HydrophobicContact CE2-CG2 3.89Å; F519-V542 HydrophobicContact CG-CB 3.83Å; F519-V542 HydrophobicContact CG-CG2 4.32Å; F519-Y545 HydrophobicContact CE2-CD1 4.3Å; F519-Y545 HydrophobicContact CE2-CG 4.48Å; F519-Y545 VanDerWaalsContact CZ-CB 3.44Å; F519-Y545 HydrophobicContact CZ-CD1 4.08Å; F519-Y545 AromaticContact CZ-CG 3.81Å; F519-Y545 HydrophobicContact CZ-CG 3.81Å
520	G	98.8	Very high	98.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.077	C	C	.	.	S	Bend	trans	-80.9	-11.3	178	0	0	0	0	0	115	F522 L523 T539 V540	G520-F522 VanDerWaalsContact C-N 3.32Å; G520-F522 PolarHBondContact O-N 3.47Å; G520-L523 WeakPolarHBondContact O-CB 3.43Å; G520-L523 PolarHBondContact O-N 2.72Å; G520-L523 VanDerWaalsContact O-N 3.08Å; G520-T539 WeakPolarHBondContact CA-OG1 3.38Å; G520-V540 PolarHBondContact N-O 3.01Å
521	T	98.9	Very high	98.7	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-47.3	-170.4	-57.1	0	0	0	0	112.8	L456 F519 R530 S541 V542 W543	L456-T521 HydrophobicContact CD1-CG2 3.78Å; L456-T521 VanDerWaalsContact CD2-O 3.3Å; L456-T521 WeakPolarHBondContact CD2-O 3.46Å; F519-T521 VanDerWaalsContact C-N 3.35Å; T521-R530 PolarHBondContact O-NH1 3.17Å; T521-S541 WeakPolarHBondContact OG1-CA 3.3Å; T521-S541 PolarHBondContact OG1-OG 3.07Å; T521-V542 HydrophobicContact CG2-CG1 3.85Å; T521-V542 PolarHBondContact OG1-N 3.09Å; T521-W543 HydrophobicContact CG2-CZ2 3.8Å
522	F	98.8	Very high	98.7	Very high	6 Å²	6	28.3 Å²	28.3	3%	0.026	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	14.5	-176.5	-58.4	-63.5	0	0	0	114.3	L456 F462 H468 F482 I510 L514 G520 V542 W543	L456-F522 HydrophobicContact CD2-CD1 4.01Å; L456-F522 HydrophobicContact CD2-CE1 4.46Å; F462-F522 WeakPolarHBondContact CB-O 3.09Å; F462-F522 HydrophobicContact CD1-CB 4.06Å; F462-F522 AromaticContact CD1-CD1 3.87Å; F462-F522 HydrophobicContact CD1-CD1 3.87Å; F462-F522 HydrophobicContact CD1-CG 4.32Å; F462-F522 AromaticContact CE1-CD1 3.47Å; F462-F522 HydrophobicContact CE1-CD1 3.47Å; F462-F522 VanDerWaalsContact CE1-CD1 3.47Å; F462-F522 HydrophobicContact CE1-CE1 4.05Å; F462-F522 HydrophobicContact CE1-CG 4.27Å; F462-F522 HydrophobicContact CE2-CD1 4.25Å; F462-F522 HydrophobicContact CG-CB 4.38Å; F462-F522 HydrophobicContact CG-CD1 4.41Å; F462-F522 AromaticContact CZ-CD1 3.69Å; F462-F522 HydrophobicContact CZ-CD1 3.69Å; F462-F522 HydrophobicContact CZ-CE1 4.03Å; H468-F522 PolarHBondContact NE2-O 3.41Å; H468-F522 VanDerWaalsContact NE2-O 3.16Å; F482-F522 AromaticContact CE1-CE1 3.97Å; F482-F522 HydrophobicContact CE1-CE1 3.97Å; F482-F522 HydrophobicContact CE1-CZ 4.1Å; F482-F522 AromaticContact CZ-CE1 3.93Å; F482-F522 HydrophobicContact CZ-CE1 3.93Å; F482-F522 HydrophobicContact CZ-CZ 4.19Å; I510-F522 HydrophobicContact CG2-CE2 4.21Å; I510-F522 HydrophobicContact CG2-CZ 3.95Å; L514-F522 HydrophobicContact CB-CD2 4.44Å; L514-F522 HydrophobicContact CD1-CB 4.05Å; L514-F522 HydrophobicContact CD1-CD1 4.44Å; L514-F522 HydrophobicContact CD1-CD2 4.44Å; L514-F522 HydrophobicContact CD1-CG 4.07Å; G520-F522 VanDerWaalsContact C-N 3.32Å; G520-F522 PolarHBondContact O-N 3.47Å; F522-V542 HydrophobicContact CE2-CG1 4.32Å; F522-W543 HydrophobicContact CZ-CH2 4.12Å; F522-W543 HydrophobicContact CZ-CZ2 4.28Å
523	L	98.8	Very high	98.7	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.021	14%	0.144	C	C	.	.			trans	-77.8	173.5	174.5	-59.4	-175.6	0	0	0	112	I194 A196 F197 H468 G520 R530 I535	I194-L523 HydrophobicContact CD1-CD2 4.09Å; I194-L523 HydrophobicContact CG2-CD1 4.41Å; I194-L523 HydrophobicContact CG2-CD2 4.4Å; A196-L523 HydrophobicContact CB-CD1 4.01Å; F197-L523 HydrophobicContact CE2-CD1 4.03Å; F197-L523 HydrophobicContact CZ-CD1 4.34Å; H468-L523 HydrophobicContact CB-CD2 4.42Å; G520-L523 WeakPolarHBondContact O-CB 3.43Å; G520-L523 PolarHBondContact O-N 2.72Å; G520-L523 VanDerWaalsContact O-N 3.08Å; L523-R530 PolarHBondContact O-NH1 3.03Å; L523-I535 HydrophobicContact CB-CD1 4.48Å; L523-I535 HydrophobicContact CD1-CD1 4.41Å
524	C	98.8	Very high	98.6	Very high	15 Å²	15	33.7 Å²	33.7	10%	0.101	16%	0.16	C	C	.	.	S	Bend	trans	59	-174.9	177.1	-55.4	0	0	0	0	114.7	Q463 Q529 R530	Q463-C524 VanDerWaalsContact CB-O 3.3Å; Q463-C524 WeakPolarHBondContact CB-O 3.46Å; Q463-C524 PolarHBondContact N-O 3.34Å; C524-Q529 HydrophobicContact CB-CB 3.92Å; C524-R530 HydrophobicContact CB-CG 3.92Å
525	N	98.8	Very high	98.6	Very high	21 Å²	21	33.7 Å²	33.7	11%	0.112	16%	0.16	C	C	.	.	S	Bend	trans	-124.8	-9.5	-177.9	-57.7	-71.8	0	0	0	115.5	G459 R461 Q463 Q464 Q529	G459-N525 CarbonylContact C-O 3.53Å; G459-N525 WeakPolarHBondContact CA-O 3.38Å; R461-N525 VanDerWaalsContact C-OD1 3.29Å; R461-N525 WeakPolarHBondContact CA-OD1 3.48Å; R461-N525 HydrophobicContact CB-CB 4.07Å; R461-N525 WeakPolarHBondContact CB-OD1 3.25Å; R461-N525 HydrophobicContact CG-CB 4.16Å; R461-N525 PolarHBondContact O-OD1 3.38Å; Q463-N525 PolarHBondContact N-OD1 3.49Å; Q464-N525 PolarHBondContact N-OD1 2.77Å; N525-Q529 VanDerWaalsContact CB-OE1 3.32Å; N525-Q529 PolarHBondContact ND2-OE1 2.92Å
526	S	98.9	Very high	98.6	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.014	18%	0.175	C	C	.	.	S	Bend	trans	-155.3	164	178.4	67.1	0	0	0	0	111.3	D240 Q528 Q529 R530	D240-S526 PolarHBondContact O-OG 3.1Å; S526-Q528 VanDerWaalsContact C-N 3.32Å; S526-Q528 PolarHBondContact O-N 3.21Å; S526-Q529 PolarHBondContact O-N 2.46Å; S526-Q529 PolarHBondContact OG-N 3.01Å; S526-R530 WeakPolarHBondContact O-CG 3.43Å; S526-R530 PolarHBondContact O-N 2.82Å; S526-R530 VanDerWaalsContact O-N 3.11Å
527	E	98.7	Very high	98.5	Very high	28 Å²	28	43.3 Å²	43.3	13%	0.131	21%	0.207	C	C	.	.	H	α-helix	trans	-55.1	-46.7	172.7	-173	175.2	-92.9	0	0	111.5	F236 P243 S244 Q529 R530 L531	F236-E527 HydrophobicContact CE1-CB 4.11Å; F236-E527 HydrophobicContact CE1-CG 4.23Å; F236-E527 WeakPolarHBondContact CE1-OE2 3.45Å; F236-E527 HydrophobicContact CZ-CB 4.39Å; F236-E527 HydrophobicContact CZ-CG 4.08Å; F236-E527 WeakPolarHBondContact CZ-OE2 3.42Å; P243-E527 WeakPolarHBondContact CA-OE2 3.36Å; S244-E527 WeakPolarHBondContact CB-OE2 3.27Å; S244-E527 PolarHBondContact N-OE2 3.09Å; S244-E527 PolarHBondContact OG-OE2 3.07Å; E527-Q529 VanDerWaalsContact C-N 3.3Å; E527-Q529 PolarHBondContact O-N 3.21Å; E527-R530 WeakPolarHBondContact O-CB 3.32Å; E527-R530 PolarHBondContact O-N 3.01Å; E527-L531 HydrophobicContact CG-CD1 4.29Å; E527-L531 HydrophobicContact CG-CG 4.48Å; E527-L531 WeakPolarHBondContact O-CG 3.32Å; E527-L531 PolarHBondContact O-N 2.8Å
528	Q	98.7	Very high	98.5	Very high	71 Å²	71	47.7 Å²	47.7	33%	0.332	22%	0.223	S	C	.	.	H	α-helix	trans	-54.5	-44.8	177.6	-170.8	-166.7	52.8	0	0	112.2	F236 S526 L531 K532	F236-Q528 HydrophobicContact CB-CB 4.35Å; F236-Q528 HydrophobicContact CB-CG 4.09Å; F236-Q528 HydrophobicContact CD1-CB 3.81Å; F236-Q528 HydrophobicContact CD1-CG 4.38Å; F236-Q528 HydrophobicContact CD2-CB 3.92Å; F236-Q528 HydrophobicContact CD2-CG 3.68Å; F236-Q528 HydrophobicContact CE1-CB 4.04Å; F236-Q528 HydrophobicContact CE2-CB 4.15Å; F236-Q528 HydrophobicContact CE2-CG 4.2Å; F236-Q528 HydrophobicContact CG-CB 3.75Å; F236-Q528 HydrophobicContact CG-CG 3.79Å; F236-Q528 HydrophobicContact CZ-CB 4.2Å; S526-Q528 VanDerWaalsContact C-N 3.32Å; S526-Q528 PolarHBondContact O-N 3.21Å; Q528-L531 PolarHBondContact O-N 2.78Å; Q528-K532 WeakPolarHBondContact O-CB 3.49Å; Q528-K532 PolarHBondContact O-N 2.93Å
529	Q	98.8	Very high	98.5	Very high	71 Å²	71	48 Å²	48	33%	0.332	23%	0.225	S	C	.	.	H	α-helix	trans	-64.6	-42.5	177.5	-70.9	178.6	9.6	0	0	111.7	C524 N525 S526 E527 L531 K532 E533	C524-Q529 HydrophobicContact CB-CB 3.92Å; N525-Q529 VanDerWaalsContact CB-OE1 3.32Å; N525-Q529 PolarHBondContact ND2-OE1 2.92Å; S526-Q529 PolarHBondContact O-N 2.46Å; S526-Q529 PolarHBondContact OG-N 3.01Å; E527-Q529 VanDerWaalsContact C-N 3.3Å; E527-Q529 PolarHBondContact O-N 3.21Å; Q529-L531 VanDerWaalsContact C-N 3.29Å; Q529-L531 PolarHBondContact O-N 2.87Å; Q529-K532 PolarHBondContact O-N 2.91Å; Q529-E533 WeakPolarHBondContact O-CB 3.36Å; Q529-E533 WeakPolarHBondContact O-CG 3.48Å; Q529-E533 PolarHBondContact O-N 3.44Å
530	R	98.8	Very high	98.5	Very high	17 Å²	17	48.8 Å²	48.8	6%	0.064	23%	0.23	C	C	.	.	H	α-helix	trans	-62.5	-37.5	177.9	-64.7	173.7	-146.3	-77.1	-12.8	112	L456 T521 L523 C524 S526 E527 E534 I535	L456-R530 VanDerWaalsContact CD2-NH2 3.31Å; T521-R530 PolarHBondContact O-NH1 3.17Å; L523-R530 PolarHBondContact O-NH1 3.03Å; C524-R530 HydrophobicContact CB-CG 3.92Å; S526-R530 WeakPolarHBondContact O-CG 3.43Å; S526-R530 PolarHBondContact O-N 2.82Å; S526-R530 VanDerWaalsContact O-N 3.11Å; E527-R530 WeakPolarHBondContact O-CB 3.32Å; E527-R530 PolarHBondContact O-N 3.01Å; R530-E534 PolarHBondContact O-N 3.1Å; R530-E534 VanDerWaalsContact O-N 3.17Å; R530-I535 HydrophobicContact CB-CB 4.22Å; R530-I535 HydrophobicContact CB-CG1 4.08Å; R530-I535 HydrophobicContact CG-CG1 4.33Å; R530-I535 PolarHBondContact O-N 3.28Å
531	L	98.1	Very high	98.5	Very high	95 Å²	95	48.8 Å²	48.8	50%	0.497	23%	0.23	S	C	.	.	H	α-helix	trans	-67.3	-46.1	175.4	-69	175.6	0	0	0	111.4	F236 E527 Q528 Q529 E533 E534	F236-L531 HydrophobicContact CE2-CD1 3.58Å; F236-L531 HydrophobicContact CZ-CD1 3.52Å; E527-L531 HydrophobicContact CG-CD1 4.29Å; E527-L531 HydrophobicContact CG-CG 4.48Å; E527-L531 WeakPolarHBondContact O-CG 3.32Å; E527-L531 PolarHBondContact O-N 2.8Å; Q528-L531 PolarHBondContact O-N 2.78Å; Q529-L531 VanDerWaalsContact C-N 3.29Å; Q529-L531 PolarHBondContact O-N 2.87Å; L531-E533 VanDerWaalsContact C-N 3.34Å; L531-E533 PolarHBondContact O-N 2.79Å; L531-E534 PolarHBondContact O-N 3.46Å
532	K	98.4	Very high	98.5	Very high	172 Å²	172	48.9 Å²	48.9	75%	0.748	23%	0.23	S	C	*	.	H	α-helix	trans	-61.1	-41.3	178.4	-176.2	-179.5	176.9	-177.3	0	112.6	Q528 Q529 E534	Q528-K532 WeakPolarHBondContact O-CB 3.49Å; Q528-K532 PolarHBondContact O-N 2.93Å; Q529-K532 PolarHBondContact O-N 2.91Å; K532-E534 PolarHBondContact O-N 3.2Å
533	E	98.1	Very high	98.5	Very high	84 Å²	84	48.6 Å²	48.6	39%	0.393	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-0.8	177.7	-63.8	-57.6	149.1	0	0	113.1	Q529 L531 I535 R538	Q529-E533 WeakPolarHBondContact O-CB 3.36Å; Q529-E533 WeakPolarHBondContact O-CG 3.48Å; Q529-E533 PolarHBondContact O-N 3.44Å; L531-E533 VanDerWaalsContact C-N 3.34Å; L531-E533 PolarHBondContact O-N 2.79Å; E533-I535 HydrophobicContact CB-CD1 3.99Å; E533-I535 HydrophobicContact CB-CG1 4.02Å; E533-I535 PolarHBondContact O-N 3.16Å; E533-R538 WeakPolarHBondContact O-CD 3.36Å; E533-R538 PolarHBondContact O-NH1 3.35Å
534	E	98.3	Very high	98.5	Very high	87 Å²	87	48.7 Å²	48.7	41%	0.407	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	51	39.3	-176.2	-56.5	-162.9	121.5	0	0	113.6	R530 L531 K532 P536 K537 R538	R530-E534 PolarHBondContact O-N 3.1Å; R530-E534 VanDerWaalsContact O-N 3.17Å; L531-E534 PolarHBondContact O-N 3.46Å; K532-E534 PolarHBondContact O-N 3.2Å; E534-P536 VanDerWaalsContact C-N 3.34Å; E534-K537 HydrophobicContact CB-CB 4.38Å; E534-K537 HydrophobicContact CB-CD 4.4Å; E534-K537 PolarHBondContact O-N 3.39Å; E534-K537 IonicContact OE1-NZ 3Å; E534-K537 PolarHBondContact OE1-NZ 3.03Å; E534-R538 HydrophobicContact CB-CG 4.2Å; E534-R538 PolarHBondContact O-N 3Å
535	I	98.4	Very high	98.5	Very high	1 Å²	1	48 Å²	48	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-49.1	-47.9	-175.5	-64.8	-63.5	0	0	0	112.2	F197 W208 L523 R530 E533 K537 R538 T539	F197-I535 HydrophobicContact CE1-CD1 3.87Å; F197-I535 HydrophobicContact CZ-CD1 3.61Å; W208-I535 HydrophobicContact CH2-CG2 3.43Å; W208-I535 VanDerWaalsContact CH2-CG2 3.43Å; W208-I535 HydrophobicContact CZ2-CG2 3.67Å; W208-I535 HydrophobicContact CZ3-CG2 4.29Å; L523-I535 HydrophobicContact CB-CD1 4.48Å; L523-I535 HydrophobicContact CD1-CD1 4.41Å; R530-I535 HydrophobicContact CB-CB 4.22Å; R530-I535 HydrophobicContact CB-CG1 4.08Å; R530-I535 HydrophobicContact CG-CG1 4.33Å; R530-I535 PolarHBondContact O-N 3.28Å; E533-I535 HydrophobicContact CB-CD1 3.99Å; E533-I535 HydrophobicContact CB-CG1 4.02Å; E533-I535 PolarHBondContact O-N 3.16Å; I535-K537 PolarHBondContact O-N 3.35Å; I535-R538 PolarHBondContact O-N 3.48Å; I535-T539 HydrophobicContact CD1-CG2 4.48Å; I535-T539 WeakPolarHBondContact CG2-OG1 3.29Å; I535-T539 PolarHBondContact O-N 3.23Å; I535-T539 PolarHBondContact O-OG1 3.39Å
536	P	97.8	Very high	98.5	Very high	57 Å²	57	47 Å²	47	37%	0.37	22%	0.22	S	C	.	.	H	α-helix	trans	-63.6	-23.1	-179.7	-25.5	37.4	0	0	0	115.6	W208 E534	W208-P536 HydrophobicContact CB-CB 4.07Å; W208-P536 VanDerWaalsContact CD1-O 3.26Å; W208-P536 HydrophobicContact CD2-CB 3.91Å; W208-P536 HydrophobicContact CD2-CG 4.24Å; W208-P536 HydrophobicContact CE3-CB 4.38Å; W208-P536 HydrophobicContact CE3-CG 4.22Å; W208-P536 HydrophobicContact CG-CB 3.76Å; E534-P536 VanDerWaalsContact C-N 3.34Å
537	K	97.6	Very high	98.5	Very high	161 Å²	161	47.2 Å²	47.2	70%	0.7	22%	0.221	S	C	*	.	H	α-helix	trans	-92.3	-29.9	179.4	-61.9	-179.1	-170.7	166	0	112.3	E534 I535	E534-K537 HydrophobicContact CB-CB 4.38Å; E534-K537 HydrophobicContact CB-CD 4.4Å; E534-K537 PolarHBondContact O-N 3.39Å; E534-K537 IonicContact OE1-NZ 3Å; E534-K537 PolarHBondContact OE1-NZ 3.03Å; I535-K537 PolarHBondContact O-N 3.35Å
538	R	98.3	Very high	98.4	Very high	101 Å²	101	47.9 Å²	47.9	38%	0.381	23%	0.229	S	C	.	.	H	α-helix	trans	-103.3	-7.6	-170	-65.9	-178.7	61.3	-153	-1.3	114.3	F197 E533 E534 I535	F197-R538 HydrophobicContact CD1-CB 3.99Å; F197-R538 HydrophobicContact CE1-CB 4.27Å; E533-R538 WeakPolarHBondContact O-CD 3.36Å; E533-R538 PolarHBondContact O-NH1 3.35Å; E534-R538 HydrophobicContact CB-CG 4.2Å; E534-R538 PolarHBondContact O-N 3Å; I535-R538 PolarHBondContact O-N 3.48Å
539	T	98.8	Very high	98.2	Very high	11 Å²	11	45.6 Å²	45.6	7%	0.067	22%	0.218	C	C	.	.	S	Bend	trans	-141.4	161.1	-176.6	68.9	0	0	0	0	111	A196 F197 W208 G520 I535	A196-T539 HydrophobicContact CB-CG2 4.15Å; A196-T539 WeakPolarHBondContact O-CB 3.27Å; A196-T539 WeakPolarHBondContact O-CG2 3.31Å; F197-T539 HydrophobicContact CD1-CG2 3.62Å; F197-T539 HydrophobicContact CE1-CG2 3.74Å; F197-T539 HydrophobicContact CG-CG2 4.11Å; F197-T539 HydrophobicContact CZ-CG2 4.31Å; W208-T539 WeakPolarHBondContact CZ2-OG1 3.49Å; W208-T539 PolarHBondContact NE1-O 3.01Å; G520-T539 WeakPolarHBondContact CA-OG1 3.38Å; I535-T539 HydrophobicContact CD1-CG2 4.48Å; I535-T539 WeakPolarHBondContact CG2-OG1 3.29Å; I535-T539 PolarHBondContact O-N 3.23Å; I535-T539 PolarHBondContact O-OG1 3.39Å
540	V	98.8	Very high	98.1	Very high	21 Å²	21	45.2 Å²	45.2	13%	0.127	22%	0.218	C	C	.	.			trans	-88.1	143.4	173.5	-174.5	0	0	0	0	109.9	Y199 Q201 F203 F519 G520	Y199-V540 HydrophobicContact CD1-CB 4.12Å; Y199-V540 HydrophobicContact CD1-CG2 3.93Å; Y199-V540 HydrophobicContact CE1-CB 4.35Å; Y199-V540 HydrophobicContact CE1-CG2 4.31Å; Q201-V540 WeakPolarHBondContact O-CG2 3.2Å; F203-V540 HydrophobicContact CD2-CG1 3.73Å; F203-V540 HydrophobicContact CE2-CG1 3.83Å; F519-V540 CarbonylContact C-O 3.43Å; F519-V540 VanDerWaalsContact CA-O 3.31Å; F519-V540 WeakPolarHBondContact CA-O 3.29Å; F519-V540 WeakPolarHBondContact CB-O 3.22Å; F519-V540 HydrophobicContact CD1-CB 3.96Å; F519-V540 HydrophobicContact CD1-CG1 3.88Å; F519-V540 HydrophobicContact CE1-CB 4.36Å; F519-V540 HydrophobicContact CE1-CG1 3.92Å; G520-V540 PolarHBondContact N-O 3.01Å
541	S	98.8	Very high	97.9	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.238	C	C	.	.			trans	-82.1	142.2	171.6	175.5	0	0	0	0	110.8	F519 T521 W543 S544	F519-S541 WeakPolarHBondContact CD1-O 3.22Å; T521-S541 WeakPolarHBondContact OG1-CA 3.3Å; T521-S541 PolarHBondContact OG1-OG 3.07Å; S541-W543 PolarHBondContact O-N 3.26Å; S541-W543 PolarHBondContact OG-N 3.39Å; S541-S544 VanDerWaalsContact O-CB 3.26Å; S541-S544 WeakPolarHBondContact O-CB 3.49Å; S541-S544 PolarHBondContact O-N 3.26Å
542	V	98.8	Very high	97.7	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-59.8	-28.3	172.6	70.6	0	0	0	0	111.6	H513 F519 T521 F522 S544 Y545 I546	H513-V542 HydrophobicContact CB-CG2 3.91Å; F519-V542 HydrophobicContact CB-CB 4.04Å; F519-V542 HydrophobicContact CD1-CB 4.49Å; F519-V542 HydrophobicContact CD2-CB 3.72Å; F519-V542 HydrophobicContact CD2-CG2 3.7Å; F519-V542 HydrophobicContact CE2-CB 4.28Å; F519-V542 HydrophobicContact CE2-CG2 3.89Å; F519-V542 HydrophobicContact CG-CB 3.83Å; F519-V542 HydrophobicContact CG-CG2 4.32Å; T521-V542 HydrophobicContact CG2-CG1 3.85Å; T521-V542 PolarHBondContact OG1-N 3.09Å; F522-V542 HydrophobicContact CE2-CG1 4.32Å; V542-S544 VanDerWaalsContact C-N 3.28Å; V542-S544 PolarHBondContact O-N 3.11Å; V542-Y545 WeakPolarHBondContact O-CB 3.5Å; V542-Y545 PolarHBondContact O-N 3.4Å; V542-Y545 VanDerWaalsContact O-N 3.16Å; V542-I546 HydrophobicContact CG2-CD1 3.99Å; V542-I546 HydrophobicContact CG2-CG1 4.43Å; V542-I546 PolarHBondContact O-N 3.34Å
543	W	98.8	Very high	97.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-68.7	-27.1	176.9	-38.7	130.8	0	0	0	112.1	V210 E448 L451 E452 I510 T521 F522 S541 Y545 I546 N547	V210-W543 HydrophobicContact CG1-CG 4.18Å; E448-W543 HydrophobicContact CB-CD2 4Å; E448-W543 HydrophobicContact CB-CE3 4.15Å; E448-W543 HydrophobicContact CB-CG 4.37Å; E448-W543 HydrophobicContact CG-CD2 3.76Å; E448-W543 HydrophobicContact CG-CE3 3.43Å; E448-W543 VanDerWaalsContact CG-CE3 3.43Å; E448-W543 HydrophobicContact CG-CG 4.32Å; E448-W543 HydrophobicContact CG-CH2 4.47Å; E448-W543 HydrophobicContact CG-CZ3 3.83Å; L451-W543 HydrophobicContact CB-CZ2 4.24Å; L451-W543 HydrophobicContact CD1-CH2 3.59Å; L451-W543 HydrophobicContact CD1-CZ2 4.09Å; E452-W543 PolarHBondContact OE1-NE1 3.08Å; I510-W543 HydrophobicContact CD1-CH2 4.19Å; I510-W543 HydrophobicContact CD1-CZ3 4.05Å; I510-W543 HydrophobicContact CG1-CH2 4.3Å; I510-W543 HydrophobicContact CG1-CZ3 4.08Å; T521-W543 HydrophobicContact CG2-CZ2 3.8Å; F522-W543 HydrophobicContact CZ-CH2 4.12Å; F522-W543 HydrophobicContact CZ-CZ2 4.28Å; S541-W543 PolarHBondContact O-N 3.26Å; S541-W543 PolarHBondContact OG-N 3.39Å; W543-Y545 VanDerWaalsContact C-N 3.29Å; W543-Y545 PolarHBondContact O-N 3.25Å; W543-I546 HydrophobicContact CE3-CD1 3.88Å; W543-I546 HydrophobicContact CZ3-CD1 3.87Å; W543-N547 WeakPolarHBondContact O-CB 3.46Å; W543-N547 VanDerWaalsContact O-CG 3.31Å; W543-N547 PolarHBondContact O-N 3.39Å; W543-N547 PolarHBondContact O-ND2 3.01Å
544	S	98.7	Very high	97.7	Very high	6 Å²	6	35.4 Å²	35.4	4%	0.042	18%	0.175	C	C	.	.	H	α-helix	trans	-60.8	-43.1	171.6	-81.9	0	0	0	0	111.1	E205 G207 S541 V542 S548	E205-S544 VanDerWaalsContact O-CB 3.25Å; E205-S544 WeakPolarHBondContact O-CB 2.96Å; E205-S544 PolarHBondContact O-OG 2.94Å; G207-S544 PolarHBondContact N-OG 3.27Å; S541-S544 VanDerWaalsContact O-CB 3.26Å; S541-S544 WeakPolarHBondContact O-CB 3.49Å; S541-S544 PolarHBondContact O-N 3.26Å; V542-S544 VanDerWaalsContact C-N 3.28Å; V542-S544 PolarHBondContact O-N 3.11Å; S544-S548 WeakPolarHBondContact O-CB 3.24Å; S544-S548 PolarHBondContact O-N 2.93Å; S544-S548 PolarHBondContact O-OG 3.17Å
545	Y	98.4	Very high	97.6	Very high	1 Å²	1	32 Å²	32	0%	0.004	16%	0.16	C	C	.	.	H	α-helix	trans	-68.8	-53.8	178.3	164.7	-111.4	0	0	0	111.3	P57 L59 F203 T509 F519 V542 W543 N547 S548 Q549 F553	P57-Y545 WeakPolarHBondContact CB-OH 3.37Å; L59-Y545 HydrophobicContact CD2-CD2 3.72Å; L59-Y545 HydrophobicContact CD2-CE2 3.5Å; L59-Y545 VanDerWaalsContact CD2-CE2 3.5Å; L59-Y545 HydrophobicContact CG-CE2 4.43Å; F203-Y545 AromaticContact CE1-CD2 3.78Å; F203-Y545 HydrophobicContact CE1-CD2 3.78Å; F203-Y545 HydrophobicContact CE1-CG 4.38Å; F203-Y545 AromaticContact CZ-CD2 3.89Å; F203-Y545 HydrophobicContact CZ-CD2 3.89Å; F203-Y545 HydrophobicContact CZ-CG 4.28Å; T509-Y545 HydrophobicContact CG2-CE1 3.99Å; F519-Y545 HydrophobicContact CE2-CD1 4.3Å; F519-Y545 HydrophobicContact CE2-CG 4.48Å; F519-Y545 VanDerWaalsContact CZ-CB 3.44Å; F519-Y545 HydrophobicContact CZ-CD1 4.08Å; F519-Y545 AromaticContact CZ-CG 3.81Å; F519-Y545 HydrophobicContact CZ-CG 3.81Å; V542-Y545 WeakPolarHBondContact O-CB 3.5Å; V542-Y545 PolarHBondContact O-N 3.4Å; V542-Y545 VanDerWaalsContact O-N 3.16Å; W543-Y545 VanDerWaalsContact C-N 3.29Å; W543-Y545 PolarHBondContact O-N 3.25Å; Y545-N547 PolarHBondContact O-N 3.49Å; Y545-S548 PolarHBondContact O-N 3.42Å; Y545-Q549 PolarHBondContact OH-NE2 3.38Å; Y545-F553 HydrophobicContact CE1-CZ 4.13Å
546	I	98.4	Very high	97.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-58.3	-50.2	-176.5	-72.9	172	0	0	0	111.5	I444 F506 T509 I510 V542 W543 S548 Q549 L550 F553	I444-I546 HydrophobicContact CG2-CG2 4.46Å; F506-I546 HydrophobicContact CD2-CD1 4.17Å; F506-I546 HydrophobicContact CD2-CG2 3.91Å; F506-I546 HydrophobicContact CE2-CD1 4.03Å; F506-I546 HydrophobicContact CE2-CG2 3.83Å; T509-I546 HydrophobicContact CG2-CD1 4.45Å; T509-I546 HydrophobicContact CG2-CG1 4.44Å; I510-I546 HydrophobicContact CG1-CD1 4.38Å; V542-I546 HydrophobicContact CG2-CD1 3.99Å; V542-I546 HydrophobicContact CG2-CG1 4.43Å; V542-I546 PolarHBondContact O-N 3.34Å; W543-I546 HydrophobicContact CE3-CD1 3.88Å; W543-I546 HydrophobicContact CZ3-CD1 3.87Å; I546-S548 PolarHBondContact O-N 3.07Å; I546-Q549 CarbonylContact O-C 3.54Å; I546-Q549 PolarHBondContact O-N 2.97Å; I546-Q549 VanDerWaalsContact O-N 3.08Å; I546-L550 PolarHBondContact O-N 2.77Å; I546-F553 HydrophobicContact CB-CD2 4.25Å; I546-F553 HydrophobicContact CB-CE2 4.04Å; I546-F553 HydrophobicContact CG1-CE2 4.04Å; I546-F553 HydrophobicContact CG1-CZ 4.09Å; I546-F553 HydrophobicContact CG2-CD2 3.65Å; I546-F553 HydrophobicContact CG2-CE2 3.97Å; I546-F553 HydrophobicContact CG2-CG 4.11Å; I546-F553 WeakPolarHBondContact O-CD2 3.4Å; I546-F553 WeakPolarHBondContact O-CE2 3.35Å
547	N	98.4	Very high	97.4	Very high	6 Å²	6	35.4 Å²	35.4	3%	0.032	17%	0.173	C	C	.	.	H	α-helix	trans	-73.3	-14.3	-174.5	-67.8	-54.7	0	0	0	114	E205 R445 E448 W543 Y545 Q549 L550	E205-N547 VanDerWaalsContact OE2-CB 3.25Å; E205-N547 WeakPolarHBondContact OE2-CB 3.25Å; R445-N547 WeakPolarHBondContact CD-OD1 2.82Å; R445-N547 VanDerWaalsContact CZ-CB 3.49Å; R445-N547 PolarHBondContact NE-OD1 3.13Å; R445-N547 PolarHBondContact NH1-ND2 2.7Å; R445-N547 PolarHBondContact NH1-OD1 3.18Å; E448-N547 VanDerWaalsContact CD-ND2 3.26Å; E448-N547 PolarHBondContact OE1-ND2 3.03Å; E448-N547 PolarHBondContact OE1-OD1 3.26Å; E448-N547 PolarHBondContact OE2-ND2 3.28Å; E448-N547 PolarHBondContact OE2-OD1 2.94Å; W543-N547 WeakPolarHBondContact O-CB 3.46Å; W543-N547 VanDerWaalsContact O-CG 3.31Å; W543-N547 PolarHBondContact O-N 3.39Å; W543-N547 PolarHBondContact O-ND2 3.01Å; Y545-N547 PolarHBondContact O-N 3.49Å; N547-Q549 PolarHBondContact O-N 3.44Å; N547-L550 HydrophobicContact CB-CD2 4.5Å; N547-L550 WeakPolarHBondContact OD1-CD2 3.48Å
548	S	97.3	Very high	97.3	Very high	42 Å²	42	29.2 Å²	29.2	29%	0.294	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-8.6	172.4	-61.3	0	0	0	0	113.1	P204 S544 Y545 I546	P204-S548 WeakPolarHBondContact CD-OG 3.32Å; S544-S548 WeakPolarHBondContact O-CB 3.24Å; S544-S548 PolarHBondContact O-N 2.93Å; S544-S548 PolarHBondContact O-OG 3.17Å; Y545-S548 PolarHBondContact O-N 3.42Å; I546-S548 PolarHBondContact O-N 3.07Å
549	Q	95.1	Very high	97	Very high	24 Å²	24	27.1 Å²	27.1	11%	0.112	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-146.1	46	-179.1	67.4	-165.9	41.6	0	0	112.4	Y545 I546 N547 E551 E552 F553	Y545-Q549 PolarHBondContact OH-NE2 3.38Å; I546-Q549 CarbonylContact O-C 3.54Å; I546-Q549 PolarHBondContact O-N 2.97Å; I546-Q549 VanDerWaalsContact O-N 3.08Å; N547-Q549 PolarHBondContact O-N 3.44Å; Q549-E551 PolarHBondContact O-N 3.1Å; Q549-E552 HydrophobicContact CG-CG 4.46Å; Q549-E552 PolarHBondContact NE2-OE2 3.33Å; Q549-E552 PolarHBondContact O-N 3.37Å; Q549-F553 HydrophobicContact CG-CD2 4.27Å; Q549-F553 HydrophobicContact CG-CE2 3.48Å; Q549-F553 VanDerWaalsContact CG-CE2 3.48Å; Q549-F553 HydrophobicContact CG-CZ 4.27Å; Q549-F553 WeakPolarHBondContact O-CD2 3.38Å
550	L	95.7	Very high	96.6	Very high	62 Å²	62	31.4 Å²	31.4	33%	0.325	17%	0.166	S	C	.	.	H	α-helix	trans	-48.3	-30.9	-177.2	-71.7	172.9	0	0	0	114.9	I444 I546 N547 E552 F553 T554	I444-L550 HydrophobicContact CB-CD2 4.49Å; I444-L550 HydrophobicContact CD1-CD2 3.87Å; I444-L550 HydrophobicContact CG2-CD2 3.84Å; I546-L550 PolarHBondContact O-N 2.77Å; N547-L550 HydrophobicContact CB-CD2 4.5Å; N547-L550 WeakPolarHBondContact OD1-CD2 3.48Å; L550-E552 PolarHBondContact O-N 3.02Å; L550-F553 PolarHBondContact O-N 2.65Å; L550-T554 WeakPolarHBondContact O-CB 3.46Å; L550-T554 PolarHBondContact O-N 2.74Å; L550-T554 PolarHBondContact O-OG1 3.31Å
551	E	94.3	Very high	95.7	Very high	103 Å²	103	36.1 Å²	36.1	48%	0.481	18%	0.182	S	C	.	.	H	α-helix	trans	-57.8	-27.4	178	58.9	-177.6	-160.3	0	0	114.2	Q549 K600	Q549-E551 PolarHBondContact O-N 3.1Å; E551-K600 HydrophobicContact CG-CD 4.46Å; E551-K600 WeakPolarHBondContact OE1-CE 3.35Å; E551-K600 IonicContact OE1-NZ 3.05Å; E551-K600 PolarHBondContact OE1-NZ 2.9Å
552	E	95.2	Very high	94.3	Very high	33 Å²	33	39.8 Å²	39.8	15%	0.154	21%	0.208	C	C	.	.	H	α-helix	trans	-77	-27.9	175.8	-62.5	-170.2	176.3	0	0	112.8	N503 Y505 Q549 L550	N503-E552 PolarHBondContact ND2-O 3.28Å; Y505-E552 HydrophobicContact CD1-CB 4.41Å; Y505-E552 HydrophobicContact CE1-CB 4.27Å; Q549-E552 HydrophobicContact CG-CG 4.46Å; Q549-E552 PolarHBondContact NE2-OE2 3.33Å; Q549-E552 PolarHBondContact O-N 3.37Å; L550-E552 PolarHBondContact O-N 3.02Å
553	F	97.5	Very high	93.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-102.6	-12.4	-170.7	-58	-60.4	0	0	0	112.7	I444 F502 N503 Y505 F506 T509 Y545 I546 Q549 L550	I444-F553 HydrophobicContact CD1-CB 4.41Å; F502-F553 CarbonylContact C-O 3.54Å; F502-F553 VanDerWaalsContact CA-O 3.25Å; F502-F553 WeakPolarHBondContact CA-O 3.48Å; N503-F553 VanDerWaalsContact CG-O 3.22Å; N503-F553 PolarHBondContact N-O 2.97Å; N503-F553 VanDerWaalsContact ND2-C 3.29Å; N503-F553 PolarHBondContact ND2-O 3.33Å; N503-F553 PolarHBondContact OD1-O 2.87Å; Y505-F553 AromaticContact CD1-CD1 3.78Å; Y505-F553 HydrophobicContact CD1-CD1 3.78Å; Y505-F553 AromaticContact CD1-CE1 3.55Å; Y505-F553 HydrophobicContact CD1-CE1 3.55Å; Y505-F553 HydrophobicContact CE1-CD1 4.24Å; Y505-F553 AromaticContact CE1-CE1 3.57Å; Y505-F553 HydrophobicContact CE1-CE1 3.57Å; Y505-F553 HydrophobicContact CE1-CZ 4.2Å; F506-F553 HydrophobicContact CB-CB 4.02Å; F506-F553 HydrophobicContact CB-CD1 3.85Å; F506-F553 HydrophobicContact CB-CG 4.31Å; F506-F553 HydrophobicContact CD2-CB 4.09Å; F506-F553 HydrophobicContact CD2-CD1 4.31Å; F506-F553 HydrophobicContact CD2-CG 4.24Å; F506-F553 HydrophobicContact CG-CB 4.5Å; T509-F553 HydrophobicContact CG2-CE1 4.1Å; T509-F553 HydrophobicContact CG2-CZ 4.33Å; Y545-F553 HydrophobicContact CE1-CZ 4.13Å; I546-F553 HydrophobicContact CB-CD2 4.25Å; I546-F553 HydrophobicContact CB-CE2 4.04Å; I546-F553 HydrophobicContact CG1-CE2 4.04Å; I546-F553 HydrophobicContact CG1-CZ 4.09Å; I546-F553 HydrophobicContact CG2-CD2 3.65Å; I546-F553 HydrophobicContact CG2-CE2 3.97Å; I546-F553 HydrophobicContact CG2-CG 4.11Å; I546-F553 WeakPolarHBondContact O-CD2 3.4Å; I546-F553 WeakPolarHBondContact O-CE2 3.35Å; Q549-F553 HydrophobicContact CG-CD2 4.27Å; Q549-F553 HydrophobicContact CG-CE2 3.48Å; Q549-F553 VanDerWaalsContact CG-CE2 3.48Å; Q549-F553 HydrophobicContact CG-CZ 4.27Å; Q549-F553 WeakPolarHBondContact O-CD2 3.38Å; L550-F553 PolarHBondContact O-N 2.65Å
554	T	98.1	Very high	92.9	Very high	26 Å²	26	50.4 Å²	50.4	16%	0.16	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-78.7	136.8	-177.1	-59	0	0	0	0	111.2	E501 N503 L550 L603	E501-T554 CarbonylContact O-C 3.53Å; E501-T554 WeakPolarHBondContact O-CA 3.27Å; N503-T554 PolarHBondContact ND2-O 3.04Å; L550-T554 WeakPolarHBondContact O-CB 3.46Å; L550-T554 PolarHBondContact O-N 2.74Å; L550-T554 PolarHBondContact O-OG1 3.31Å; T554-L603 HydrophobicContact CG2-CD1 3.94Å; T554-L603 HydrophobicContact CG2-CD2 3.94Å
555	N	97.1	Very high	92.8	Very high	17 Å²	17	51.3 Å²	51.3	9%	0.091	27%	0.267	C	S	.	.			trans	-85.1	115.8	170.2	174.5	12.6	0	0	0	109.6	P497 F500 E501 N503 M557 Y558	P497-N555 PolarHBondContact O-ND2 3.11Å; F500-N555 WeakPolarHBondContact O-CB 3.49Å; F500-N555 PolarHBondContact O-ND2 3.14Å; E501-N555 WeakPolarHBondContact O-CB 3.46Å; E501-N555 PolarHBondContact O-N 3.2Å; N503-N555 HydrophobicContact CB-CB 4.34Å; N555-M557 PolarHBondContact O-N 3.07Å; N555-M557 VanDerWaalsContact O-N 3.16Å; N555-M557 WeakPolarHBondContact OD1-CB 3.42Å; N555-M557 PolarHBondContact OD1-N 2.82Å; N555-Y558 WeakPolarHBondContact O-CB 3.2Å; N555-Y558 PolarHBondContact O-N 2.8Å; N555-Y558 VanDerWaalsContact O-N 3.11Å
556	P	96.1	Very high	92.8	Very high	10 Å²	10	51.3 Å²	51.3	7%	0.065	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-21.9	-179.1	26.5	-34.8	0	0	0	113.3	Y558 H599 L602 L603 R606	P556-Y558 VanDerWaalsContact C-N 3.33Å; P556-H599 HydrophobicContact CG-CB 4.07Å; P556-L602 HydrophobicContact CB-CB 3.88Å; P556-L602 HydrophobicContact CG-CB 4.06Å; P556-L602 HydrophobicContact CG-CD1 4.01Å; P556-L603 HydrophobicContact CB-CD2 4.02Å; P556-L603 HydrophobicContact CB-CG 4.11Å; P556-R606 PolarHBondContact O-NH1 2.91Å
557	M	94.6	Very high	92.8	Very high	119 Å²	119	55.6 Å²	55.6	59%	0.586	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-3.9	-179.9	-56.8	-55.5	-65.3	0	0	113.2	A498 N555 V559	A498-M557 WeakPolarHBondContact CA-O 3.22Å; A498-M557 VanDerWaalsContact CB-O 3.25Å; A498-M557 WeakPolarHBondContact CB-O 3.43Å; N555-M557 PolarHBondContact O-N 3.07Å; N555-M557 VanDerWaalsContact O-N 3.16Å; N555-M557 WeakPolarHBondContact OD1-CB 3.42Å; N555-M557 PolarHBondContact OD1-N 2.82Å; M557-V559 PolarHBondContact O-N 3.26Å
558	Y	95.9	Very high	92.8	Very high	30 Å²	30	55.5 Å²	55.5	12%	0.118	29%	0.286	C	S	.	.			trans	-59.3	131.9	-178.4	175.5	-119.7	0	0	0	111.9	A498 F500 E501 N555 P556 N560	A498-Y558 WeakPolarHBondContact O-CA 3.45Å; F500-Y558 WeakPolarHBondContact O-CD2 3.47Å; E501-Y558 VanDerWaalsContact CA-CG 3.45Å; E501-Y558 HydrophobicContact CB-CD1 3.74Å; E501-Y558 HydrophobicContact CB-CD2 4.05Å; E501-Y558 HydrophobicContact CB-CE1 3.83Å; E501-Y558 HydrophobicContact CB-CE2 4.13Å; E501-Y558 HydrophobicContact CB-CG 3.86Å; E501-Y558 HydrophobicContact CG-CD1 3.76Å; E501-Y558 HydrophobicContact CG-CE1 4.01Å; E501-Y558 HydrophobicContact CG-CG 4.24Å; E501-Y558 VanDerWaalsContact N-CD2 3.28Å; N555-Y558 WeakPolarHBondContact O-CB 3.2Å; N555-Y558 PolarHBondContact O-N 2.8Å; N555-Y558 VanDerWaalsContact O-N 3.11Å; P556-Y558 VanDerWaalsContact C-N 3.33Å; Y558-N560 HydrophobicContact CE1-CB 4.21Å
559	V	92.8	Very high	92.8	Very high	58 Å²	58	56.9 Å²	56.9	35%	0.352	29%	0.293	S	S	.	.			trans	-126.1	127.1	171.4	-176.4	0	0	0	0	108.3	A498 M557 Y561	A498-V559 HydrophobicContact CB-CG2 4.4Å; A498-V559 PolarHBondContact O-N 3.22Å; M557-V559 PolarHBondContact O-N 3.26Å; V559-Y561 HydrophobicContact CB-CD2 4.07Å; V559-Y561 HydrophobicContact CB-CE2 3.55Å; V559-Y561 HydrophobicContact CG1-CD1 4.32Å; V559-Y561 HydrophobicContact CG1-CD2 3.99Å; V559-Y561 HydrophobicContact CG1-CE1 3.85Å; V559-Y561 HydrophobicContact CG1-CE2 3.5Å; V559-Y561 HydrophobicContact CG1-CG 4.38Å; V559-Y561 VanDerWaalsContact CG1-CZ 3.42Å; V559-Y561 HydrophobicContact CG2-CE2 4.43Å; V559-Y561 PolarHBondContact O-N 2.87Å; V559-Y561 VanDerWaalsContact O-N 3.08Å
560	N	88.9	Confident	92.9	Very high	100 Å²	100	57.5 Å²	57.5	54%	0.535	30%	0.296	S	S	.	.			trans	-77.2	96.9	177.9	-174	5.7	0	0	0	110.5	Y558	Y558-N560 HydrophobicContact CE1-CB 4.21Å
561	Y	80.8	Confident	92.9	Very high	121 Å²	121	55.5 Å²	55.5	48%	0.475	29%	0.287	S	S	.	.			trans	-101.7	88.1	168.9	-62.2	-69.7	0	0	0	109.8	V559 N563 Q564	V559-Y561 HydrophobicContact CB-CD2 4.07Å; V559-Y561 HydrophobicContact CB-CE2 3.55Å; V559-Y561 HydrophobicContact CG1-CD1 4.32Å; V559-Y561 HydrophobicContact CG1-CD2 3.99Å; V559-Y561 HydrophobicContact CG1-CE1 3.85Å; V559-Y561 HydrophobicContact CG1-CE2 3.5Å; V559-Y561 HydrophobicContact CG1-CG 4.38Å; V559-Y561 VanDerWaalsContact CG1-CZ 3.42Å; V559-Y561 HydrophobicContact CG2-CE2 4.43Å; V559-Y561 PolarHBondContact O-N 2.87Å; V559-Y561 VanDerWaalsContact O-N 3.08Å; Y561-N563 PolarHBondContact O-N 2.69Å; Y561-N563 VanDerWaalsContact O-N 3.09Å; Y561-Q564 PolarHBondContact O-N 3.22Å
562	S	69.8	Low	93	Very high	76 Å²	76	54.5 Å²	54.5	53%	0.531	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-35	-169.8	-41	0	0	0	0	114.7
563	N	76.6	Confident	93	Very high	143 Å²	143	63.1 Å²	63.1	77%	0.765	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.5	12.2	-171.4	-60.8	-7.4	0	0	0	113.7	Y561 V565	Y561-N563 PolarHBondContact O-N 2.69Å; Y561-N563 VanDerWaalsContact O-N 3.09Å; N563-V565 PolarHBondContact O-N 3.15Å
564	Q	91.8	Very high	93	Very high	81 Å²	81	67.4 Å²	67.4	38%	0.379	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-82.5	119.1	-178.2	-178.1	-176.9	20.6	0	0	110.9	R442 Y561 L566	R442-Q564 PolarHBondContact NH2-O 2.82Å; Y561-Q564 PolarHBondContact O-N 3.22Å; Q564-L566 HydrophobicContact CG-CD2 4.36Å
565	V	97.3	Very high	93	Very high	26 Å²	26	66.6 Å²	66.6	16%	0.158	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-82	136.5	169	-178.9	0	0	0	0	110.4	E409 M436 L437 N563 F567	E409-V565 HydrophobicContact CB-CG1 4.42Å; E409-V565 HydrophobicContact CG-CB 4.29Å; E409-V565 HydrophobicContact CG-CG1 4.18Å; E409-V565 HydrophobicContact CG-CG2 3.88Å; E409-V565 WeakPolarHBondContact OE2-CG2 3.3Å; M436-V565 CarbonylContact O-C 3.56Å; M436-V565 VanDerWaalsContact O-CA 3.28Å; M436-V565 WeakPolarHBondContact O-CA 3.44Å; M436-V565 WeakPolarHBondContact O-CG1 3.31Å; L437-V565 HydrophobicContact CD2-CG1 4.24Å; N563-V565 PolarHBondContact O-N 3.15Å; V565-F567 HydrophobicContact CB-CE2 3.94Å; V565-F567 HydrophobicContact CB-CZ 4.45Å; V565-F567 HydrophobicContact CG1-CD2 4.15Å; V565-F567 HydrophobicContact CG1-CE1 4.36Å; V565-F567 HydrophobicContact CG1-CE2 3.56Å; V565-F567 HydrophobicContact CG1-CZ 3.68Å
566	L	98	Very high	93	Very high	1 Å²	1	69.9 Å²	69.9	1%	0.005	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-94.9	120	178.5	-55.8	-174.8	0	0	0	111.2	M436 F496 A499 F500 Q564 P568	M436-L566 WeakPolarHBondContact CB-O 3.43Å; M436-L566 WeakPolarHBondContact CG-O 3.12Å; M436-L566 PolarHBondContact O-N 2.9Å; F496-L566 HydrophobicContact CB-CD1 4.38Å; F496-L566 HydrophobicContact CB-CD2 4.47Å; F496-L566 HydrophobicContact CD1-CD2 3.93Å; F496-L566 HydrophobicContact CD2-CB 4.27Å; F496-L566 HydrophobicContact CD2-CD1 4Å; F496-L566 HydrophobicContact CD2-CD2 4.37Å; F496-L566 HydrophobicContact CD2-CG 4.46Å; F496-L566 HydrophobicContact CE1-CD2 4.23Å; F496-L566 HydrophobicContact CE2-CB 3.99Å; F496-L566 HydrophobicContact CG-CD1 4.19Å; F496-L566 HydrophobicContact CG-CD2 4.01Å; F496-L566 HydrophobicContact CZ-CB 4.2Å; A499-L566 HydrophobicContact CB-CD1 3.99Å; A499-L566 HydrophobicContact CB-CD2 4.04Å; F500-L566 HydrophobicContact CE2-CD1 3.83Å; F500-L566 HydrophobicContact CZ-CD1 3.83Å; Q564-L566 HydrophobicContact CG-CD2 4.36Å; L566-P568 VanDerWaalsContact O-CD 3.28Å; L566-P568 WeakPolarHBondContact O-CD 3.48Å
567	F	98	Very high	93.1	Very high	89 Å²	89	70.1 Å²	70.1	39%	0.39	35%	0.346	S	S	.	.			trans	-111.7	86.5	173.6	-68.4	-79.2	0	0	0	110.1	L402 D406 E409 V565	L402-F567 HydrophobicContact CD1-CB 4.41Å; L402-F567 HydrophobicContact CD1-CD1 3.63Å; L402-F567 HydrophobicContact CD1-CE1 4.43Å; L402-F567 HydrophobicContact CD1-CG 4.48Å; D406-F567 HydrophobicContact CB-CE1 4.09Å; E409-F567 HydrophobicContact CB-CZ 4.22Å; E409-F567 HydrophobicContact CG-CZ 4.02Å; V565-F567 HydrophobicContact CB-CE2 3.94Å; V565-F567 HydrophobicContact CB-CZ 4.45Å; V565-F567 HydrophobicContact CG1-CD2 4.15Å; V565-F567 HydrophobicContact CG1-CE1 4.36Å; V565-F567 HydrophobicContact CG1-CE2 3.56Å; V565-F567 HydrophobicContact CG1-CZ 3.68Å
568	P	97.8	Very high	93.3	Very high	5 Å²	5	64.5 Å²	64.5	3%	0.032	32%	0.318	C	S	.	.			trans	-64.7	153.5	179.4	28.3	-39.2	0	0	0	112.9	L402 M436 L492 F496 L566 I570	L402-P568 HydrophobicContact CD1-CG 4.45Å; M436-P568 HydrophobicContact CE-CG 3.91Å; M436-P568 HydrophobicContact SD-CG 4.4Å; L492-P568 HydrophobicContact CD2-CB 3.67Å; L492-P568 HydrophobicContact CD2-CG 3.65Å; F496-P568 HydrophobicContact CE2-CB 3.96Å; L566-P568 VanDerWaalsContact O-CD 3.28Å; L566-P568 WeakPolarHBondContact O-CD 3.48Å; P568-I570 HydrophobicContact CB-CD1 3.75Å; P568-I570 HydrophobicContact CG-CD1 3.67Å; P568-I570 HydrophobicContact CG-CG1 4.33Å; P568-I570 PolarHBondContact O-N 2.86Å
569	V	97.9	Very high	93.3	Very high	71 Å²	71	65.6 Å²	65.6	43%	0.43	33%	0.33	S	S	.	.			trans	-82.3	112.6	168.9	-178.3	0	0	0	0	109.2	Q495 S571 H574	Q495-V569 PolarHBondContact NE2-O 3.24Å; V569-S571 PolarHBondContact O-N 2.79Å; V569-H574 HydrophobicContact CB-CB 4.44Å; V569-H574 HydrophobicContact CG1-CB 4.29Å
570	I	97.3	Very high	93.4	Very high	36 Å²	36	64.5 Å²	64.5	19%	0.185	33%	0.33	C	S	.	.			trans	-99	86.9	-177.8	-51.1	-50.9	0	0	0	110.4	K395 L398 A399 L402 P568	K395-I570 HydrophobicContact CB-CG2 4.41Å; K395-I570 HydrophobicContact CG-CG2 3.68Å; K395-I570 WeakPolarHBondContact O-CG2 3.33Å; L398-I570 HydrophobicContact CB-CD1 3.54Å; L398-I570 HydrophobicContact CB-CG1 4.26Å; L398-I570 HydrophobicContact CB-CG2 4.36Å; L398-I570 HydrophobicContact CD1-CD1 4.1Å; L398-I570 HydrophobicContact CG-CD1 4.32Å; A399-I570 HydrophobicContact CB-CG2 3.87Å; L402-I570 HydrophobicContact CD2-CG1 3.79Å; P568-I570 HydrophobicContact CB-CD1 3.75Å; P568-I570 HydrophobicContact CG-CD1 3.67Å; P568-I570 HydrophobicContact CG-CG1 4.33Å; P568-I570 PolarHBondContact O-N 2.86Å
571	S	96.1	Very high	93.8	Very high	20 Å²	20	59.9 Å²	59.9	14%	0.14	31%	0.306	C	S	.	.	S	Bend	trans	-147.1	143.2	178.3	176.4	0	0	0	0	109.5	V569 R573 H574 L575	V569-S571 PolarHBondContact O-N 2.79Å; S571-R573 PolarHBondContact O-N 3Å; S571-R573 PolarHBondContact OG-N 3.24Å; S571-H574 PolarHBondContact O-N 3.17Å; S571-L575 WeakPolarHBondContact O-CG 3.45Å; S571-L575 PolarHBondContact O-N 2.97Å; S571-L575 VanDerWaalsContact O-N 3.08Å
572	L	95.3	Very high	94.6	Very high	82 Å²	82	54.2 Å²	54.2	43%	0.429	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-19.4	173.8	-65.3	177.4	0	0	0	113.3	L391 K395 H574	L391-L572 HydrophobicContact CB-CD2 4Å; K395-L572 HydrophobicContact CB-CD2 4.48Å; K395-L572 HydrophobicContact CD-CD2 4.09Å; K395-L572 HydrophobicContact CD-CG 4.11Å; L572-H574 VanDerWaalsContact C-N 3.31Å
573	R	96.3	Very high	95.8	Very high	214 Å²	214	51 Å²	51	81%	0.808	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-17	173.8	-63.7	-173.7	-63.7	-85	1	114.3	S571	S571-R573 PolarHBondContact O-N 3Å; S571-R573 PolarHBondContact OG-N 3.24Å
574	H	96.4	Very high	96.6	Very high	90 Å²	90	45 Å²	45	42%	0.417	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116	-12.9	-176.2	-63.1	78.6	0	0	0	112.6	V569 S571 L572	V569-H574 HydrophobicContact CB-CB 4.44Å; V569-H574 HydrophobicContact CG1-CB 4.29Å; S571-H574 PolarHBondContact O-N 3.17Å; L572-H574 VanDerWaalsContact C-N 3.31Å
575	L	98.1	Very high	96.6	Very high	10 Å²	10	43.1 Å²	43.1	5%	0.052	22%	0.216	C	C	.	.			trans	-88.2	133.5	173	-60.3	179.4	0	0	0	109.1	I394 K395 L398 Q491 S571	I394-L575 HydrophobicContact CG2-CD1 4.38Å; K395-L575 HydrophobicContact CB-CD1 3.57Å; K395-L575 HydrophobicContact CG-CD1 4.32Å; L398-L575 HydrophobicContact CD1-CD2 3.74Å; Q491-L575 HydrophobicContact CB-CD2 4.09Å; Q491-L575 HydrophobicContact CG-CD2 3.97Å; S571-L575 WeakPolarHBondContact O-CG 3.45Å; S571-L575 PolarHBondContact O-N 2.97Å; S571-L575 VanDerWaalsContact O-N 3.08Å
576	E	98.3	Very high	96.2	Very high	86 Å²	86	43.1 Å²	43.1	40%	0.402	22%	0.216	S	C	.	.			trans	-108.6	148.7	-179	-63.5	178.2	-133	0	0	109.4	W490 Q491 R494 W578	W490-E576 HydrophobicContact CH2-CB 3.73Å; W490-E576 HydrophobicContact CZ3-CB 3.92Å; W490-E576 WeakPolarHBondContact CZ3-O 3.38Å; Q491-E576 PolarHBondContact NE2-O 3.19Å; Q491-E576 VanDerWaalsContact OE1-N 3.07Å; R494-E576 IonicContact CZ-OE1 3.96Å; R494-E576 IonicContact NE-OE1 3.51Å; R494-E576 PolarHBondContact NE-OE1 3.22Å; R494-E576 IonicContact NE-OE2 2.85Å; R494-E576 IonicContact NH2-OE1 3.3Å; R494-E576 PolarHBondContact NH2-OE1 3.29Å; R494-E576 IonicContact NH2-OE2 3.81Å; R494-E576 PolarHBondContact NH2-OE2 2.68Å; E576-W578 PolarHBondContact O-N 2.89Å
577	L	98.3	Very high	95.7	Very high	15 Å²	15	45 Å²	45	8%	0.079	23%	0.227	C	C	.	.			trans	-70.9	127.4	163.7	179	70	0	0	0	108.3	L368 V372 W381 L385 S579 Y582 I583	L368-L577 HydrophobicContact CD1-CD1 3.85Å; L368-L577 HydrophobicContact CD1-CD2 4.34Å; L368-L577 HydrophobicContact CD2-CD1 3.99Å; V372-L577 HydrophobicContact CG1-CD2 4.26Å; W381-L577 HydrophobicContact CH2-CD2 3.3Å; W381-L577 HydrophobicContact CZ2-CD2 3.5Å; L385-L577 HydrophobicContact CD1-CD1 4.23Å; L385-L577 HydrophobicContact CD1-CD2 4.27Å; L385-L577 HydrophobicContact CD2-CB 4.34Å; L577-S579 VanDerWaalsContact C-N 3.28Å; L577-S579 PolarHBondContact O-N 2.77Å; L577-S579 PolarHBondContact O-OG 3.26Å; L577-Y582 HydrophobicContact CD1-CD2 3.68Å; L577-Y582 HydrophobicContact CD1-CE2 4.25Å; L577-Y582 HydrophobicContact CD1-CG 4.4Å; L577-Y582 HydrophobicContact CG-CD2 4.32Å; L577-I583 HydrophobicContact CD2-CD1 3.95Å
578	W	97.9	Very high	95	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.248	C	C	.	.			trans	-70.5	79.4	179.9	-173.6	10	0	0	0	112.6	I486 D487 W490 E504 L507 V508 L511 E576 G580 Y581 Y582	I486-W578 HydrophobicContact CG2-CH2 3.75Å; I486-W578 HydrophobicContact CG2-CZ3 3.8Å; D487-W578 HydrophobicContact CB-CE3 4.25Å; W490-W578 HydrophobicContact CB-CD2 4.07Å; W490-W578 HydrophobicContact CB-CE3 4.05Å; W490-W578 HydrophobicContact CB-CH2 4.26Å; W490-W578 HydrophobicContact CB-CZ2 4.26Å; W490-W578 HydrophobicContact CB-CZ3 4.16Å; W490-W578 AromaticContact CD1-CD1 3.83Å; W490-W578 AromaticContact CD1-CD2 3.95Å; W490-W578 AromaticContact CD1-CE2 3.42Å; W490-W578 VanDerWaalsContact CD1-CE2 3.42Å; W490-W578 AromaticContact CD1-CZ2 3.76Å; W490-W578 AromaticContact CD1-NE1 3.38Å; W490-W578 HydrophobicContact CD2-CB 3.94Å; W490-W578 AromaticContact CD2-CD1 3.63Å; W490-W578 AromaticContact CD2-CD2 3.84Å; W490-W578 HydrophobicContact CD2-CD2 3.84Å; W490-W578 AromaticContact CD2-CG 3.55Å; W490-W578 HydrophobicContact CD2-CG 3.55Å; W490-W578 AromaticContact CD2-NE1 3.98Å; W490-W578 AromaticContact CE2-CD1 3.2Å; W490-W578 AromaticContact CE2-CG 3.64Å; W490-W578 AromaticContact CE2-NE1 3.58Å; W490-W578 HydrophobicContact CE3-CB 3.67Å; W490-W578 HydrophobicContact CE3-CD2 4.35Å; W490-W578 AromaticContact CE3-CG 3.84Å; W490-W578 HydrophobicContact CE3-CG 3.84Å; W490-W578 AromaticContact CG-CD2 3.7Å; W490-W578 HydrophobicContact CG-CD2 3.7Å; W490-W578 AromaticContact CG-CE2 3.65Å; W490-W578 HydrophobicContact CG-CE3 4.19Å; W490-W578 AromaticContact CG-CG 3.95Å; W490-W578 HydrophobicContact CG-CG 3.95Å; W490-W578 HydrophobicContact CG-CZ2 4.09Å; W490-W578 AromaticContact CG-NE1 3.87Å; W490-W578 HydrophobicContact CH2-CB 4Å; W490-W578 HydrophobicContact CH2-CG 4.3Å; W490-W578 HydrophobicContact CZ2-CB 4.22Å; W490-W578 AromaticContact CZ2-CD1 3.51Å; W490-W578 HydrophobicContact CZ2-CG 4.02Å; W490-W578 HydrophobicContact CZ3-CB 3.71Å; W490-W578 HydrophobicContact CZ3-CG 4.21Å; W490-W578 AromaticContact NE1-CD1 3.32Å; W490-W578 VanDerWaalsContact NE1-CD1 3.32Å; W490-W578 AromaticContact NE1-CE2 3.71Å; W490-W578 AromaticContact NE1-CG 4Å; W490-W578 AromaticContact NE1-NE1 3.15Å; W490-W578 VanDerWaalsContact NE1-NE1 3.15Å; E504-W578 HydrophobicContact CG-CZ2 4.16Å; E504-W578 PolarHBondContact OE1-NE1 2.98Å; L507-W578 HydrophobicContact CB-CH2 3.81Å; L507-W578 HydrophobicContact CB-CZ2 4.15Å; V508-W578 HydrophobicContact CG2-CH2 4.35Å; V508-W578 HydrophobicContact CG2-CZ2 3.65Å; L511-W578 HydrophobicContact CD1-CH2 3.94Å; L511-W578 HydrophobicContact CD1-CZ3 3.74Å; E576-W578 PolarHBondContact O-N 2.89Å; W578-G580 PolarHBondContact O-N 3.32Å; W578-Y581 HydrophobicContact CD2-CG 4.45Å; W578-Y581 HydrophobicContact CE3-CD1 4.46Å; W578-Y581 HydrophobicContact CE3-CG 4.32Å; W578-Y581 HydrophobicContact CZ3-CG 4.4Å; W578-Y581 PolarHBondContact O-N 2.76Å; W578-Y581 VanDerWaalsContact O-N 3.09Å; W578-Y582 HydrophobicContact CB-CD2 3.85Å; W578-Y582 HydrophobicContact CB-CE2 3.8Å; W578-Y582 VanDerWaalsContact O-CD2 3.3Å; W578-Y582 WeakPolarHBondContact O-CD2 3.31Å; W578-Y582 PolarHBondContact O-N 3.09Å
579	S	95.4	Very high	94.2	Very high	54 Å²	54	55.3 Å²	55.3	38%	0.378	27%	0.268	S	S	.	.	H	α-helix	trans	-59.6	-35.4	-178.2	-52.7	0	0	0	0	112.6	L577 Y581 I583 R584	L577-S579 VanDerWaalsContact C-N 3.28Å; L577-S579 PolarHBondContact O-N 2.77Å; L577-S579 PolarHBondContact O-OG 3.26Å; S579-Y581 PolarHBondContact O-N 3.26Å; S579-Y581 VanDerWaalsContact O-N 3.13Å; S579-I583 CarbonylContact O-C 3.56Å; S579-I583 PolarHBondContact O-N 2.81Å; S579-I583 VanDerWaalsContact O-N 3.07Å; S579-R584 PolarHBondContact O-N 3.15Å
580	G	95.1	Very high	93.2	Very high	34 Å²	34	54.5 Å²	54.5	35%	0.351	26%	0.259	S	S	.	.	H	α-helix	trans	-59.9	-18.5	176.7	0	0	0	0	0	114.7	W578 R584	W578-G580 PolarHBondContact O-N 3.32Å; G580-R584 WeakPolarHBondContact O-CB 3.17Å
581	Y	96.9	Very high	92.3	Very high	3 Å²	3	56.5 Å²	56.5	1%	0.012	27%	0.274	C	S	.	.	H	α-helix	trans	-111.4	-52.8	173	-178.4	-107.9	0	0	0	112.5	I483 L511 Y515 W578 S579 I583 R584	I483-Y581 HydrophobicContact CG2-CE1 3.98Å; L511-Y581 HydrophobicContact CB-CD2 4.36Å; L511-Y581 HydrophobicContact CB-CE2 3.56Å; L511-Y581 HydrophobicContact CD1-CD1 4.13Å; L511-Y581 HydrophobicContact CD1-CD2 3.81Å; L511-Y581 HydrophobicContact CD1-CE1 3.86Å; L511-Y581 HydrophobicContact CD1-CE2 3.53Å; L511-Y581 HydrophobicContact CD1-CG 4.11Å; L511-Y581 HydrophobicContact CG-CE2 4.19Å; Y515-Y581 WeakPolarHBondContact CE2-OH 3.31Å; W578-Y581 HydrophobicContact CD2-CG 4.45Å; W578-Y581 HydrophobicContact CE3-CD1 4.46Å; W578-Y581 HydrophobicContact CE3-CG 4.32Å; W578-Y581 HydrophobicContact CZ3-CG 4.4Å; W578-Y581 PolarHBondContact O-N 2.76Å; W578-Y581 VanDerWaalsContact O-N 3.09Å; S579-Y581 PolarHBondContact O-N 3.26Å; S579-Y581 VanDerWaalsContact O-N 3.13Å; Y581-I583 PolarHBondContact O-N 2.89Å; Y581-R584 WeakPolarHBondContact O-CG 3.41Å
582	Y	97.9	Very high	91.4	Very high	2 Å²	2	64.4 Å²	64.4	1%	0.008	31%	0.309	C	S	.	.	H	α-helix	trans	-75.2	-23.6	-170.6	-63	-61.6	0	0	0	114.6	M159 L365 L368 V372 W390 I483 D487 L577 W578	M159-Y582 HydrophobicContact CE-CD1 3.77Å; M159-Y582 HydrophobicContact CG-CD1 3.98Å; M159-Y582 HydrophobicContact SD-CD1 4Å; L365-Y582 HydrophobicContact CD1-CE1 4.04Å; L368-Y582 HydrophobicContact CD2-CD1 4.01Å; L368-Y582 HydrophobicContact CD2-CD2 4.27Å; L368-Y582 HydrophobicContact CD2-CE1 4.15Å; L368-Y582 HydrophobicContact CD2-CE2 4.42Å; L368-Y582 HydrophobicContact CD2-CG 4.09Å; V372-Y582 WeakPolarHBondContact CG2-O 3.44Å; W390-Y582 AromaticContact CE2-CZ 3.93Å; W390-Y582 HydrophobicContact CZ2-CE1 4.42Å; W390-Y582 AromaticContact CZ2-CZ 3.88Å; W390-Y582 WeakPolarHBondContact CZ2-OH 3.45Å; W390-Y582 AromaticContact NE1-CE2 3.77Å; W390-Y582 AromaticContact NE1-CZ 3.71Å; W390-Y582 PolarHBondContact NE1-OH 3.37Å; I483-Y582 HydrophobicContact CG2-CE1 4.44Å; D487-Y582 WeakPolarHBondContact OD2-CE2 3.43Å; D487-Y582 PolarHBondContact OD2-OH 3.48Å; D487-Y582 VanDerWaalsContact OD2-OH 3.07Å; L577-Y582 HydrophobicContact CD1-CD2 3.68Å; L577-Y582 HydrophobicContact CD1-CE2 4.25Å; L577-Y582 HydrophobicContact CD1-CG 4.4Å; L577-Y582 HydrophobicContact CG-CD2 4.32Å; W578-Y582 HydrophobicContact CB-CD2 3.85Å; W578-Y582 HydrophobicContact CB-CE2 3.8Å; W578-Y582 VanDerWaalsContact O-CD2 3.3Å; W578-Y582 WeakPolarHBondContact O-CD2 3.31Å; W578-Y582 PolarHBondContact O-N 3.09Å
583	I	95.4	Very high	90.7	Very high	9 Å²	9	66.8 Å²	66.8	5%	0.046	32%	0.318	C	S	.	.	S	Bend	trans	-123.5	7.9	-173.1	-38.8	172.2	0	0	0	111.8	V372 I376 W381 L577 S579 Y581 W585 N586 M589	V372-I583 HydrophobicContact CB-CG1 4.13Å; V372-I583 HydrophobicContact CG1-CD1 4.44Å; V372-I583 HydrophobicContact CG1-CG1 4.22Å; I376-I583 HydrophobicContact CD1-CD1 3.88Å; I376-I583 HydrophobicContact CD1-CG1 4.47Å; I376-I583 HydrophobicContact CD1-CG2 3.82Å; W381-I583 HydrophobicContact CH2-CD1 4.21Å; L577-I583 HydrophobicContact CD2-CD1 3.95Å; S579-I583 CarbonylContact O-C 3.56Å; S579-I583 PolarHBondContact O-N 2.81Å; S579-I583 VanDerWaalsContact O-N 3.07Å; Y581-I583 PolarHBondContact O-N 2.89Å; I583-W585 PolarHBondContact O-N 3.15Å; I583-N586 HydrophobicContact CG2-CB 4.44Å; I583-N586 PolarHBondContact O-N 3.09Å; I583-N586 VanDerWaalsContact O-N 3.15Å; I583-M589 HydrophobicContact CB-CE 4.17Å; I583-M589 HydrophobicContact CB-SD 4.35Å; I583-M589 HydrophobicContact CD1-CE 3.91Å; I583-M589 HydrophobicContact CG2-CE 3.72Å; I583-M589 HydrophobicContact CG2-SD 3.34Å; I583-M589 WeakPolarHBondContact CG2-SD 3.41Å
584	R	93.4	Very high	90.2	Very high	17 Å²	17	57.6 Å²	57.6	6%	0.064	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-11.9	-173	70.4	-176.4	170.7	160.2	0	115.9	D512 S579 G580 Y581 K590	D512-R584 VanDerWaalsContact CG-NH1 3.28Å; D512-R584 IonicContact OD1-CZ 2.72Å; D512-R584 IonicContact OD1-NH1 3.68Å; D512-R584 PolarHBondContact OD1-NH1 2.89Å; D512-R584 IonicContact OD1-NH2 3.2Å; D512-R584 PolarHBondContact OD1-NH2 2.97Å; D512-R584 IonicContact OD2-CZ 3.58Å; D512-R584 IonicContact OD2-NH1 2.79Å; D512-R584 PolarHBondContact OD2-NH1 3.34Å; S579-R584 PolarHBondContact O-N 3.15Å; G580-R584 WeakPolarHBondContact O-CB 3.17Å; Y581-R584 WeakPolarHBondContact O-CG 3.41Å; R584-K590 WeakPolarHBondContact O-CE 3.04Å
585	W	92.2	Very high	89.7	Confident	41 Å²	41	57.3 Å²	57.3	16%	0.155	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-18.1	-179.7	-55.6	118.7	0	0	0	113.8	F100 D158 R160 Y373 I583 P587	F100-W585 HydrophobicContact CE2-CB 4.43Å; F100-W585 VanDerWaalsContact CE2-O 3.27Å; F100-W585 WeakPolarHBondContact CE2-O 3.44Å; D158-W585 HydrophobicContact CB-CZ2 4.2Å; D158-W585 PolarHBondContact O-NE1 3.2Å; D158-W585 WeakPolarHBondContact OD2-CZ2 3.28Å; R160-W585 HydrophobicContact CB-CG 4.14Å; R160-W585 HydrophobicContact CG-CD2 4.39Å; R160-W585 HydrophobicContact CG-CG 4.4Å; R160-W585 HydrophobicContact CG-CZ2 4.49Å; Y373-W585 HydrophobicContact CD2-CB 4.48Å; Y373-W585 HydrophobicContact CE2-CB 4.06Å; I583-W585 PolarHBondContact O-N 3.15Å; W585-P587 VanDerWaalsContact O-CD 3.23Å; W585-P587 WeakPolarHBondContact O-CD 3.38Å
586	N	89.3	Confident	89.3	Confident	27 Å²	27	58.6 Å²	58.6	14%	0.144	29%	0.292	C	S	.	.			trans	-76.5	113.5	176	-176.3	-9.8	0	0	0	109.6	F100 I583 R588 M589 K590	F100-N586 HydrophobicContact CD1-CB 4.36Å; F100-N586 HydrophobicContact CE1-CB 3.74Å; F100-N586 HydrophobicContact CZ-CB 3.99Å; I583-N586 HydrophobicContact CG2-CB 4.44Å; I583-N586 PolarHBondContact O-N 3.09Å; I583-N586 VanDerWaalsContact O-N 3.15Å; N586-R588 PolarHBondContact O-N 2.71Å; N586-R588 VanDerWaalsContact O-N 3.14Å; N586-R588 WeakPolarHBondContact OD1-CB 3.27Å; N586-R588 PolarHBondContact OD1-N 3.31Å; N586-M589 HydrophobicContact CB-CB 4.28Å; N586-M589 HydrophobicContact CB-CG 4.18Å; N586-M589 HydrophobicContact CB-SD 4.24Å; N586-M589 PolarHBondContact O-N 2.81Å; N586-K590 PolarHBondContact O-N 2.63Å
587	P	85.8	Confident	88.8	Confident	39 Å²	39	58.6 Å²	58.6	25%	0.253	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-59.5	-28.3	-178.4	-24.5	36	0	0	0	113.7	T51 F100 W585 M589 K590	T51-P587 HydrophobicContact CG2-CB 3.71Å; T51-P587 HydrophobicContact CG2-CG 3.41Å; T51-P587 VanDerWaalsContact CG2-CG 3.41Å; F100-P587 HydrophobicContact CB-CG 4.22Å; F100-P587 HydrophobicContact CD2-CG 4.4Å; F100-P587 HydrophobicContact CG-CG 4.39Å; W585-P587 VanDerWaalsContact O-CD 3.23Å; W585-P587 WeakPolarHBondContact O-CD 3.38Å; P587-M589 PolarHBondContact O-N 2.81Å; P587-K590 PolarHBondContact O-N 2.87Å
588	R	83.9	Confident	88.5	Confident	220 Å²	220	65.7 Å²	65.7	83%	0.83	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-73.6	-16.7	-179.6	-60	-178.8	-179.2	176.1	0.8	113.2	N586	N586-R588 PolarHBondContact O-N 2.71Å; N586-R588 VanDerWaalsContact O-N 3.14Å; N586-R588 WeakPolarHBondContact OD1-CB 3.27Å; N586-R588 PolarHBondContact OD1-N 3.31Å
589	M	81.5	Confident	88.2	Confident	91 Å²	91	67.5 Å²	67.5	45%	0.448	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-103.8	-1.3	-179.7	-62.7	-176.5	66.7	0	0	112.3	I376 I583 N586 P587	I376-M589 HydrophobicContact CD1-SD 4.21Å; I583-M589 HydrophobicContact CB-CE 4.17Å; I583-M589 HydrophobicContact CB-SD 4.35Å; I583-M589 HydrophobicContact CD1-CE 3.91Å; I583-M589 HydrophobicContact CG2-CE 3.72Å; I583-M589 HydrophobicContact CG2-SD 3.34Å; I583-M589 WeakPolarHBondContact CG2-SD 3.41Å; N586-M589 HydrophobicContact CB-CB 4.28Å; N586-M589 HydrophobicContact CB-CG 4.18Å; N586-M589 HydrophobicContact CB-SD 4.24Å; N586-M589 PolarHBondContact O-N 2.81Å; P587-M589 PolarHBondContact O-N 2.81Å
590	K	77	Confident	88	Confident	54 Å²	54	68.5 Å²	68.5	24%	0.235	32%	0.324	C	S	.	.	S	Bend	trans	-78.1	139.6	173.7	-69.9	-173.6	176	-174.4	0	109.8	R584 N586 P587	R584-K590 WeakPolarHBondContact O-CE 3.04Å; N586-K590 PolarHBondContact O-N 2.63Å; P587-K590 PolarHBondContact O-N 2.87Å
591	P	78.1	Confident	87.9	Confident	78 Å²	78	72.9 Å²	72.9	51%	0.506	34%	0.335	S	S	.	.			trans	-61.3	149.8	166.9	28.5	-33.2	0	0	0	109.6	E593 I595	P591-E593 WeakPolarHBondContact CB-O 3.42Å; P591-E593 PolarHBondContact O-N 2.99Å; P591-I595 HydrophobicContact CG-CG1 4.37Å
592	Q	76.9	Confident	87.8	Confident	187 Å²	187	76.4 Å²	76.4	87%	0.874	35%	0.354	S	S	*	.	S	Bend	trans	-58.3	-35.5	179.2	-72.4	-178.9	-26.2	0	0	112.2
593	E	80.3	Confident	87.6	Confident	132 Å²	132	78.1 Å²	78.1	62%	0.617	36%	0.363	S	S	*	.	S	Bend	trans	-123.6	140	173.5	-68.4	179.7	168.4	0	0	110	P591 I595	P591-E593 WeakPolarHBondContact CB-O 3.42Å; P591-E593 PolarHBondContact O-N 2.99Å; E593-I595 PolarHBondContact O-N 3.12Å
594	P	85.5	Confident	87.5	Confident	20 Å²	20	80.8 Å²	80.8	13%	0.13	39%	0.386	C	S	.	.			trans	-61.4	125.9	175.3	-22.8	33.5	0	0	0	112.4	H596 Q597	P594-H596 WeakPolarHBondContact CB-CE1 3.15Å; P594-H596 PolarHBondContact O-N 2.89Å; P594-H596 VanDerWaalsContact O-N 3.12Å; P594-Q597 HydrophobicContact CB-CG 4.15Å; P594-Q597 HydrophobicContact CG-CG 4.48Å; P594-Q597 WeakPolarHBondContact O-CB 3.39Å; P594-Q597 PolarHBondContact O-N 3.34Å
595	I	86.9	Confident	87.5	Confident	84 Å²	84	84.6 Å²	84.6	43%	0.431	40%	0.403	S	S	.	.	H	α-helix	trans	-55.9	-36.3	-175.1	-62.1	174	0	0	0	112.7	P591 E593 Q597 R598 H599	P591-I595 HydrophobicContact CG-CG1 4.37Å; E593-I595 PolarHBondContact O-N 3.12Å; I595-Q597 VanDerWaalsContact C-N 3.31Å; I595-Q597 PolarHBondContact O-N 3.05Å; I595-R598 WeakPolarHBondContact O-CB 3.49Å; I595-R598 PolarHBondContact O-N 3Å; I595-H599 PolarHBondContact O-CD2 3.28Å; I595-H599 PolarHBondContact O-N 3.07Å
596	H	88.6	Confident	87.5	Confident	37 Å²	37	89 Å²	89	17%	0.171	42%	0.42	C	S	.	.	H	α-helix	trans	-67.9	-28.9	-179.9	69.3	-86.4	0	0	0	113	Y505 P594 H599 K600	Y505-H596 HydrophobicContact CD1-CB 4.18Å; Y505-H596 AromaticContact CD1-CG 3.95Å; Y505-H596 AromaticContact CD2-ND1 3.76Å; Y505-H596 AromaticContact CE2-CE1 4Å; Y505-H596 HydrophobicContact CG-CB 3.97Å; Y505-H596 AromaticContact CG-CG 3.78Å; Y505-H596 AromaticContact CG-ND1 3.89Å; P594-H596 WeakPolarHBondContact CB-CE1 3.15Å; P594-H596 PolarHBondContact O-N 2.89Å; P594-H596 VanDerWaalsContact O-N 3.12Å; H596-H599 WeakPolarHBondContact O-CB 3.3Å; H596-H599 PolarHBondContact O-N 2.88Å; H596-K600 PolarHBondContact O-N 2.82Å
597	Q	89.5	Confident	87.6	Confident	87 Å²	87	90.7 Å²	90.7	41%	0.407	44%	0.438	S	S	.	.	H	α-helix	trans	-66.5	-44.5	173.2	-67.1	-179.9	0.3	0	0	110.1	P594 I595 H599 K600 E601	P594-Q597 HydrophobicContact CB-CG 4.15Å; P594-Q597 HydrophobicContact CG-CG 4.48Å; P594-Q597 WeakPolarHBondContact O-CB 3.39Å; P594-Q597 PolarHBondContact O-N 3.34Å; I595-Q597 VanDerWaalsContact C-N 3.31Å; I595-Q597 PolarHBondContact O-N 3.05Å; Q597-H599 VanDerWaalsContact C-N 3.29Å; Q597-H599 PolarHBondContact O-N 2.83Å; Q597-K600 WeakPolarHBondContact O-CB 3.39Å; Q597-K600 PolarHBondContact O-N 3.4Å; Q597-K600 VanDerWaalsContact O-N 3.13Å; Q597-E601 PolarHBondContact O-N 3Å
598	R	90.3	Very high	88	Confident	163 Å²	163	94.2 Å²	94.2	62%	0.615	45%	0.451	S	S	*	.	H	α-helix	trans	-60.1	-38.6	171.9	-173.1	178	179.3	-176	1.1	112.2	I595 K600 E601 L602	I595-R598 WeakPolarHBondContact O-CB 3.49Å; I595-R598 PolarHBondContact O-N 3Å; R598-K600 VanDerWaalsContact C-N 3.34Å; R598-K600 PolarHBondContact O-N 2.87Å; R598-E601 PolarHBondContact O-N 2.65Å; R598-L602 HydrophobicContact CG-CD1 4.45Å; R598-L602 VanDerWaalsContact O-CG 3.3Å; R598-L602 WeakPolarHBondContact O-CG 3.47Å; R598-L602 PolarHBondContact O-N 3Å
599	H	92.8	Very high	88.5	Confident	38 Å²	38	88.4 Å²	88.4	18%	0.176	44%	0.436	C	S	.	.	H	α-helix	trans	-60.8	-43	174.2	-75.2	-173.2	0	0	0	112.3	P556 I595 H596 Q597 E601 L602 L603	P556-H599 HydrophobicContact CG-CB 4.07Å; I595-H599 PolarHBondContact O-CD2 3.28Å; I595-H599 PolarHBondContact O-N 3.07Å; H596-H599 WeakPolarHBondContact O-CB 3.3Å; H596-H599 PolarHBondContact O-N 2.88Å; Q597-H599 VanDerWaalsContact C-N 3.29Å; Q597-H599 PolarHBondContact O-N 2.83Å; H599-E601 VanDerWaalsContact C-N 3.35Å; H599-E601 PolarHBondContact O-N 3.44Å; H599-L602 WeakPolarHBondContact O-CB 3.33Å; H599-L602 PolarHBondContact O-N 3.3Å; H599-L603 WeakPolarHBondContact O-CG 3.19Å; H599-L603 PolarHBondContact O-N 3.12Å
600	K	91.7	Very high	89	Confident	76 Å²	76	88.7 Å²	88.7	33%	0.33	44%	0.436	S	S	.	.	H	α-helix	trans	-60.5	-43.3	175.6	-174.9	175.7	-177.6	160.8	0	112	E551 H596 Q597 R598 L603 A604	E551-K600 HydrophobicContact CG-CD 4.46Å; E551-K600 WeakPolarHBondContact OE1-CE 3.35Å; E551-K600 IonicContact OE1-NZ 3.05Å; E551-K600 PolarHBondContact OE1-NZ 2.9Å; H596-K600 PolarHBondContact O-N 2.82Å; Q597-K600 WeakPolarHBondContact O-CB 3.39Å; Q597-K600 PolarHBondContact O-N 3.4Å; Q597-K600 VanDerWaalsContact O-N 3.13Å; R598-K600 VanDerWaalsContact C-N 3.34Å; R598-K600 PolarHBondContact O-N 2.87Å; K600-L603 WeakPolarHBondContact O-CB 3.24Å; K600-L603 PolarHBondContact O-N 2.66Å; K600-A604 PolarHBondContact O-N 2.78Å
601	E	92.8	Very high	89.9	Confident	126 Å²	126	92.7 Å²	92.7	59%	0.589	45%	0.453	S	S	*	.	H	α-helix	trans	-62.7	-41.8	174.2	-67.4	177.8	175.1	0	0	112.3	Q597 R598 H599 L603 A604 K605	Q597-E601 PolarHBondContact O-N 3Å; R598-E601 PolarHBondContact O-N 2.65Å; H599-E601 VanDerWaalsContact C-N 3.35Å; H599-E601 PolarHBondContact O-N 3.44Å; E601-L603 VanDerWaalsContact C-N 3.33Å; E601-L603 PolarHBondContact O-N 2.82Å; E601-A604 PolarHBondContact O-N 2.91Å; E601-K605 WeakPolarHBondContact O-CB 3.25Å; E601-K605 PolarHBondContact O-N 3.2Å
602	L	94	Very high	90.7	Very high	76 Å²	76	95 Å²	95	40%	0.398	45%	0.452	S	S	.	.	H	α-helix	trans	-62.8	-38.7	175.6	-72.4	172.2	0	0	0	112.1	P556 R598 H599 K605 R606	P556-L602 HydrophobicContact CB-CB 3.88Å; P556-L602 HydrophobicContact CG-CB 4.06Å; P556-L602 HydrophobicContact CG-CD1 4.01Å; R598-L602 HydrophobicContact CG-CD1 4.45Å; R598-L602 VanDerWaalsContact O-CG 3.3Å; R598-L602 WeakPolarHBondContact O-CG 3.47Å; R598-L602 PolarHBondContact O-N 3Å; H599-L602 WeakPolarHBondContact O-CB 3.33Å; H599-L602 PolarHBondContact O-N 3.3Å; L602-K605 PolarHBondContact O-N 2.82Å; L602-R606 VanDerWaalsContact O-CB 3.28Å; L602-R606 WeakPolarHBondContact O-CB 3.35Å; L602-R606 PolarHBondContact O-N 2.9Å
603	L	93.6	Very high	91.5	Very high	39 Å²	39	89.2 Å²	89.2	20%	0.204	43%	0.429	C	S	.	.	H	α-helix	trans	-63.3	-46	174	-71.8	168.3	0	0	0	111.4	T554 P556 H599 K600 E601 K605 R606 A607	T554-L603 HydrophobicContact CG2-CD1 3.94Å; T554-L603 HydrophobicContact CG2-CD2 3.94Å; P556-L603 HydrophobicContact CB-CD2 4.02Å; P556-L603 HydrophobicContact CB-CG 4.11Å; H599-L603 WeakPolarHBondContact O-CG 3.19Å; H599-L603 PolarHBondContact O-N 3.12Å; K600-L603 WeakPolarHBondContact O-CB 3.24Å; K600-L603 PolarHBondContact O-N 2.66Å; E601-L603 VanDerWaalsContact C-N 3.33Å; E601-L603 PolarHBondContact O-N 2.82Å; L603-K605 VanDerWaalsContact C-N 3.33Å; L603-K605 PolarHBondContact O-N 3.44Å; L603-R606 PolarHBondContact O-N 3Å; L603-A607 PolarHBondContact O-N 2.79Å
604	A	93.5	Very high	92.2	Very high	65 Å²	65	86.8 Å²	86.8	54%	0.537	42%	0.421	S	S	.	.	H	α-helix	trans	-59.9	-44.3	175.8	0	0	0	0	0	111.3	K600 E601 A607 E608	K600-A604 PolarHBondContact O-N 2.78Å; E601-A604 PolarHBondContact O-N 2.91Å; A604-A607 PolarHBondContact O-N 3.42Å; A604-E608 PolarHBondContact O-N 2.9Å
605	K	93.4	Very high	92.7	Very high	96 Å²	96	88.9 Å²	88.9	42%	0.417	43%	0.429	S	S	.	.	H	α-helix	trans	-65.7	-41.1	177.7	-167.1	70.3	-166.6	165.9	0	112.4	E601 L602 L603 A607 E608 L609	E601-K605 WeakPolarHBondContact O-CB 3.25Å; E601-K605 PolarHBondContact O-N 3.2Å; L602-K605 PolarHBondContact O-N 2.82Å; L603-K605 VanDerWaalsContact C-N 3.33Å; L603-K605 PolarHBondContact O-N 3.44Å; K605-A607 VanDerWaalsContact C-N 3.34Å; K605-A607 PolarHBondContact O-N 2.98Å; K605-E608 WeakPolarHBondContact CD-OE2 3.33Å; K605-E608 VanDerWaalsContact NZ-CD 3.34Å; K605-E608 IonicContact NZ-OE1 3.35Å; K605-E608 PolarHBondContact NZ-OE1 2.78Å; K605-E608 IonicContact NZ-OE2 2.95Å; K605-E608 PolarHBondContact NZ-OE2 2.81Å; K605-E608 PolarHBondContact O-N 3.23Å; K605-L609 HydrophobicContact CG-CD1 4.2Å; K605-L609 WeakPolarHBondContact O-CB 3.13Å; K605-L609 WeakPolarHBondContact O-CG 3.23Å; K605-L609 PolarHBondContact O-N 3.29Å
606	R	91.2	Very high	93.1	Very high	133 Å²	133	88.4 Å²	88.4	50%	0.502	43%	0.427	S	S	.	.	H	α-helix	trans	-59.8	-44.5	174.9	-178.9	179	174.7	-179.1	-4.8	110.9	P556 L602 L603 L609 Q610	P556-R606 PolarHBondContact O-NH1 2.91Å; L602-R606 VanDerWaalsContact O-CB 3.28Å; L602-R606 WeakPolarHBondContact O-CB 3.35Å; L602-R606 PolarHBondContact O-N 2.9Å; L603-R606 PolarHBondContact O-N 3Å; R606-L609 PolarHBondContact O-N 2.87Å; R606-Q610 WeakPolarHBondContact O-CB 3.26Å; R606-Q610 PolarHBondContact O-N 2.93Å
607	A	91.8	Very high	93.3	Very high	63 Å²	63	91.9 Å²	91.9	52%	0.521	44%	0.443	S	S	.	.	H	α-helix	trans	-63.1	-43.2	177.6	0	0	0	0	0	112.3	L603 A604 K605 Q610 K611	L603-A607 PolarHBondContact O-N 2.79Å; A604-A607 PolarHBondContact O-N 3.42Å; K605-A607 VanDerWaalsContact C-N 3.34Å; K605-A607 PolarHBondContact O-N 2.98Å; A607-Q610 PolarHBondContact O-N 2.82Å; A607-K611 PolarHBondContact O-N 3.09Å
608	E	95.1	Very high	93.5	Very high	114 Å²	114	95.9 Å²	95.9	53%	0.533	45%	0.454	S	S	.	.	H	α-helix	trans	-59.5	-49.9	175.1	-172.4	-161.7	156.7	0	0	111.7	A604 K605 Q610 K611 R612	A604-E608 PolarHBondContact O-N 2.9Å; K605-E608 WeakPolarHBondContact CD-OE2 3.33Å; K605-E608 VanDerWaalsContact NZ-CD 3.34Å; K605-E608 IonicContact NZ-OE1 3.35Å; K605-E608 PolarHBondContact NZ-OE1 2.78Å; K605-E608 IonicContact NZ-OE2 2.95Å; K605-E608 PolarHBondContact NZ-OE2 2.81Å; K605-E608 PolarHBondContact O-N 3.23Å; E608-Q610 PolarHBondContact O-N 2.83Å; E608-K611 WeakPolarHBondContact O-CB 3.3Å; E608-K611 PolarHBondContact O-N 3.28Å; E608-R612 PolarHBondContact O-N 3.32Å; E608-R612 VanDerWaalsContact O-N 3.08Å
609	L	93.9	Very high	93.7	Very high	97 Å²	97	92.1 Å²	92.1	51%	0.508	44%	0.444	S	S	.	.	H	α-helix	trans	-64.2	-41.1	179.5	-70.2	173.8	0	0	0	111.9	K605 R606 K611 R612 V613	K605-L609 HydrophobicContact CG-CD1 4.2Å; K605-L609 WeakPolarHBondContact O-CB 3.13Å; K605-L609 WeakPolarHBondContact O-CG 3.23Å; K605-L609 PolarHBondContact O-N 3.29Å; R606-L609 PolarHBondContact O-N 2.87Å; L609-K611 VanDerWaalsContact C-N 3.33Å; L609-K611 PolarHBondContact O-N 3.19Å; L609-R612 WeakPolarHBondContact O-CB 3.46Å; L609-R612 PolarHBondContact O-N 3.1Å; L609-V613 WeakPolarHBondContact O-CG2 3.38Å; L609-V613 PolarHBondContact O-N 3.18Å
610	Q	92.6	Very high	93.7	Very high	97 Å²	97	95 Å²	95	45%	0.453	46%	0.464	S	S	.	.	H	α-helix	trans	-62.6	-41.4	177.3	-172.4	62.1	58.1	0	0	111.6	R606 A607 E608 R612 V613 N614	R606-Q610 WeakPolarHBondContact O-CB 3.26Å; R606-Q610 PolarHBondContact O-N 2.93Å; A607-Q610 PolarHBondContact O-N 2.82Å; E608-Q610 PolarHBondContact O-N 2.83Å; Q610-R612 VanDerWaalsContact C-N 3.31Å; Q610-R612 PolarHBondContact O-N 3.13Å; Q610-V613 PolarHBondContact O-N 3.45Å; Q610-N614 PolarHBondContact NE2-OD1 2.84Å; Q610-N614 PolarHBondContact O-N 2.75Å; Q610-N614 PolarHBondContact O-OD1 2.84Å
611	K	94.9	Very high	93.7	Very high	139 Å²	139	95.4 Å²	95.4	60%	0.604	47%	0.472	S	S	*	.	H	α-helix	trans	-59.6	-44.4	174.2	-174.1	-176.9	176.3	-172.5	0	111.1	A607 E608 L609 V613 N614 E615	A607-K611 PolarHBondContact O-N 3.09Å; E608-K611 WeakPolarHBondContact O-CB 3.3Å; E608-K611 PolarHBondContact O-N 3.28Å; L609-K611 VanDerWaalsContact C-N 3.33Å; L609-K611 PolarHBondContact O-N 3.19Å; K611-V613 PolarHBondContact O-N 2.72Å; K611-N614 PolarHBondContact O-N 2.86Å; K611-E615 VanDerWaalsContact CE-OE1 3.28Å; K611-E615 WeakPolarHBondContact CE-OE1 3.32Å; K611-E615 WeakPolarHBondContact O-CG 3.32Å; K611-E615 PolarHBondContact O-N 3.01Å
612	R	95.1	Very high	93.5	Very high	126 Å²	126	94 Å²	94	48%	0.475	47%	0.469	S	S	.	.	H	α-helix	trans	-63.2	-40	178.2	-172.5	59.3	177	166.4	3.7	112.7	E608 L609 Q610 E615 L616	E608-R612 PolarHBondContact O-N 3.32Å; E608-R612 VanDerWaalsContact O-N 3.08Å; L609-R612 WeakPolarHBondContact O-CB 3.46Å; L609-R612 PolarHBondContact O-N 3.1Å; Q610-R612 VanDerWaalsContact C-N 3.31Å; Q610-R612 PolarHBondContact O-N 3.13Å; R612-E615 IonicContact NH1-OE2 3.32Å; R612-E615 PolarHBondContact NH1-OE2 2.82Å; R612-E615 PolarHBondContact O-N 3.37Å; R612-L616 HydrophobicContact CG-CD1 4.23Å; R612-L616 WeakPolarHBondContact O-CG 3.42Å; R612-L616 PolarHBondContact O-N 2.85Å
613	V	94.7	Very high	93.1	Very high	65 Å²	65	99.3 Å²	99.3	39%	0.394	48%	0.484	S	S	.	.	H	α-helix	trans	-60.7	-47.6	174.3	169.1	0	0	0	0	110.8	L609 Q610 K611 E615 L616 Q617	L609-V613 WeakPolarHBondContact O-CG2 3.38Å; L609-V613 PolarHBondContact O-N 3.18Å; Q610-V613 PolarHBondContact O-N 3.45Å; K611-V613 PolarHBondContact O-N 2.72Å; V613-E615 VanDerWaalsContact C-N 3.32Å; V613-E615 PolarHBondContact O-N 2.85Å; V613-L616 PolarHBondContact O-N 3.19Å; V613-Q617 HydrophobicContact CG1-CG 4.35Å; V613-Q617 WeakPolarHBondContact O-CB 3.27Å; V613-Q617 WeakPolarHBondContact O-CG 3.49Å; V613-Q617 PolarHBondContact O-N 3.06Å
614	N	94.4	Very high	92.3	Very high	82 Å²	82	100.4 Å²	100.4	44%	0.439	50%	0.495	S	S	.	.	H	α-helix	trans	-62.8	-39.4	180	-63.8	-6.4	0	0	0	111.8	Q610 K611 R618	Q610-N614 PolarHBondContact NE2-OD1 2.84Å; Q610-N614 PolarHBondContact O-N 2.75Å; Q610-N614 PolarHBondContact O-OD1 2.84Å; K611-N614 PolarHBondContact O-N 2.86Å; N614-R618 PolarHBondContact O-N 2.88Å
615	E	95.6	Very high	91.4	Very high	63 Å²	63	99.9 Å²	99.9	29%	0.294	49%	0.49	S	S	.	.	H	α-helix	trans	-61.1	-49.8	174.3	-74.3	170.8	-175.6	0	0	111.7	K611 R612 V613 Q617 R618 E619	K611-E615 VanDerWaalsContact CE-OE1 3.28Å; K611-E615 WeakPolarHBondContact CE-OE1 3.32Å; K611-E615 WeakPolarHBondContact O-CG 3.32Å; K611-E615 PolarHBondContact O-N 3.01Å; R612-E615 IonicContact NH1-OE2 3.32Å; R612-E615 PolarHBondContact NH1-OE2 2.82Å; R612-E615 PolarHBondContact O-N 3.37Å; V613-E615 VanDerWaalsContact C-N 3.32Å; V613-E615 PolarHBondContact O-N 2.85Å; E615-Q617 PolarHBondContact O-N 2.93Å; E615-R618 WeakPolarHBondContact O-CB 3.24Å; E615-R618 PolarHBondContact O-N 3.42Å; E615-E619 PolarHBondContact O-N 3.43Å
616	L	95.4	Very high	90.3	Very high	75 Å²	75	98.1 Å²	98.1	39%	0.393	49%	0.491	S	S	.	.	H	α-helix	trans	-63.8	-39.2	178.9	-71	170.8	0	0	0	112.2	R612 V613 R618 E619 V620	R612-L616 HydrophobicContact CG-CD1 4.23Å; R612-L616 WeakPolarHBondContact O-CG 3.42Å; R612-L616 PolarHBondContact O-N 2.85Å; V613-L616 PolarHBondContact O-N 3.19Å; L616-R618 VanDerWaalsContact C-N 3.32Å; L616-R618 PolarHBondContact O-N 2.91Å; L616-E619 PolarHBondContact O-N 2.93Å; L616-V620 WeakPolarHBondContact O-CG2 3.3Å; L616-V620 PolarHBondContact O-N 2.84Å
617	Q	93.8	Very high	88.8	Confident	110 Å²	110	94.6 Å²	94.6	51%	0.514	49%	0.486	S	S	.	.	H	α-helix	trans	-61.8	-40.5	174.7	-76.8	173.6	-15.5	0	0	111.8	V613 E615 V620 T621	V613-Q617 HydrophobicContact CG1-CG 4.35Å; V613-Q617 WeakPolarHBondContact O-CB 3.27Å; V613-Q617 WeakPolarHBondContact O-CG 3.49Å; V613-Q617 PolarHBondContact O-N 3.06Å; E615-Q617 PolarHBondContact O-N 2.93Å; Q617-V620 PolarHBondContact O-N 3.01Å; Q617-T621 WeakPolarHBondContact O-CB 3.49Å; Q617-T621 PolarHBondContact O-N 3.12Å; Q617-T621 PolarHBondContact O-OG1 3.27Å
618	R	93.2	Very high	87.2	Confident	171 Å²	171	95.1 Å²	95.1	65%	0.645	49%	0.486	S	S	*	.	H	α-helix	trans	-65.2	-41.4	174.5	-167	179	69.4	173	1.9	111.9	N614 E615 L616 T621 N622	N614-R618 PolarHBondContact O-N 2.88Å; E615-R618 WeakPolarHBondContact O-CB 3.24Å; E615-R618 PolarHBondContact O-N 3.42Å; L616-R618 VanDerWaalsContact C-N 3.32Å; L616-R618 PolarHBondContact O-N 2.91Å; R618-T621 PolarHBondContact O-N 3.41Å; R618-N622 WeakPolarHBondContact O-CB 3.37Å; R618-N622 VanDerWaalsContact O-CG 3.23Å; R618-N622 PolarHBondContact O-N 2.89Å
619	E	93.4	Very high	85.3	Confident	84 Å²	84	93 Å²	93	39%	0.393	48%	0.484	S	S	.	.	H	α-helix	trans	-61.5	-43.8	174.9	-72.7	178.1	-168.5	0	0	112.3	E615 L616 T621 N622 R623	E615-E619 PolarHBondContact O-N 3.43Å; L616-E619 PolarHBondContact O-N 2.93Å; E619-T621 VanDerWaalsContact C-N 3.34Å; E619-T621 PolarHBondContact O-N 2.86Å; E619-N622 PolarHBondContact O-N 2.93Å; E619-R623 WeakPolarHBondContact O-CG 3.43Å; E619-R623 PolarHBondContact O-N 3.32Å
620	V	92.9	Very high	83.3	Confident	98 Å²	98	94.7 Å²	94.7	59%	0.594	49%	0.489	S	S	*	.	H	α-helix	trans	-62	-43	175.8	170.2	0	0	0	0	111.1	L616 Q617 R623 S624	L616-V620 WeakPolarHBondContact O-CG2 3.3Å; L616-V620 PolarHBondContact O-N 2.84Å; Q617-V620 PolarHBondContact O-N 3.01Å; V620-R623 PolarHBondContact O-N 2.97Å; V620-S624 PolarHBondContact O-N 3.23Å; V620-S624 PolarHBondContact O-OG 3.21Å
621	T	91.6	Very high	81.3	Confident	84 Å²	84	99.9 Å²	99.9	52%	0.515	51%	0.505	S	S	.	.	H	α-helix	trans	-66.8	-38.7	179.6	-53.8	0	0	0	0	111.6	Q617 R618 E619 S624 A625	Q617-T621 WeakPolarHBondContact O-CB 3.49Å; Q617-T621 PolarHBondContact O-N 3.12Å; Q617-T621 PolarHBondContact O-OG1 3.27Å; R618-T621 PolarHBondContact O-N 3.41Å; E619-T621 VanDerWaalsContact C-N 3.34Å; E619-T621 PolarHBondContact O-N 2.86Å; T621-S624 WeakPolarHBondContact CA-OG 3.5Å; T621-S624 PolarHBondContact O-N 3.31Å; T621-S624 PolarHBondContact O-OG 3.39Å; T621-A625 WeakPolarHBondContact O-CB 3.45Å; T621-A625 PolarHBondContact O-N 3.19Å
622	N	89.3	Confident	79.2	Confident	98 Å²	98	95 Å²	95	52%	0.524	49%	0.494	S	S	.	.	H	α-helix	trans	-67.9	-40	175.9	-72	-8.2	0	0	0	111.9	R618 E619 A625 S626	R618-N622 WeakPolarHBondContact O-CB 3.37Å; R618-N622 VanDerWaalsContact O-CG 3.23Å; R618-N622 PolarHBondContact O-N 2.89Å; E619-N622 PolarHBondContact O-N 2.93Å; N622-A625 PolarHBondContact O-N 2.8Å; N622-S626 PolarHBondContact O-N 3.39Å; N622-S626 PolarHBondContact O-OG 3.08Å
623	R	85.4	Confident	77	Confident	186 Å²	186	95.7 Å²	95.7	70%	0.702	50%	0.502	S	S	*	.	H	α-helix	trans	-68	-36.8	175.8	-73.4	-179	-176.9	-164.9	2.8	112.7	E619 V620 S626 S627	E619-R623 WeakPolarHBondContact O-CG 3.43Å; E619-R623 PolarHBondContact O-N 3.32Å; V620-R623 PolarHBondContact O-N 2.97Å; R623-S626 WeakPolarHBondContact CA-OG 3.49Å; R623-S626 PolarHBondContact O-OG 3.27Å; R623-S627 WeakPolarHBondContact O-CB 3.39Å; R623-S627 PolarHBondContact O-N 2.78Å; R623-S627 PolarHBondContact O-OG 2.99Å
624	S	78.3	Confident	74.8	Confident	62 Å²	62	99.4 Å²	99.4	43%	0.434	52%	0.515	S	S	.	.	H	α-helix	trans	-68.5	-38.8	175.3	63.8	0	0	0	0	111.3	V620 T621 S627 S628	V620-S624 PolarHBondContact O-N 3.23Å; V620-S624 PolarHBondContact O-OG 3.21Å; T621-S624 WeakPolarHBondContact CA-OG 3.5Å; T621-S624 PolarHBondContact O-N 3.31Å; T621-S624 PolarHBondContact O-OG 3.39Å; S624-S627 PolarHBondContact O-N 3.34Å; S624-S627 PolarHBondContact O-OG 3.22Å; S624-S628 PolarHBondContact O-N 2.89Å; S624-S628 VanDerWaalsContact O-N 3.13Å; S624-S628 PolarHBondContact O-OG 2.8Å; S624-S628 VanDerWaalsContact O-OG 3.05Å
625	A	74.4	Confident	72.4	Confident	54 Å²	54	103.8 Å²	103.8	45%	0.446	53%	0.526	S	S	.	.	H	α-helix	trans	-65.2	-37.8	174	0	0	0	0	0	113.6	T621 N622 S628 S629	T621-A625 WeakPolarHBondContact O-CB 3.45Å; T621-A625 PolarHBondContact O-N 3.19Å; N622-A625 PolarHBondContact O-N 2.8Å; A625-S628 WeakPolarHBondContact CA-OG 3.47Å; A625-S628 PolarHBondContact O-OG 3.48Å; A625-S629 PolarHBondContact O-N 2.7Å
626	S	69.4	Low	70.1	Confident	60 Å²	60	108.3 Å²	108.3	42%	0.42	54%	0.544	S	S	.	.	H	α-helix	trans	-71.6	-33.7	175	64.3	0	0	0	0	112.6	N622 R623 S628 S629 E630	N622-S626 PolarHBondContact O-N 3.39Å; N622-S626 PolarHBondContact O-OG 3.08Å; R623-S626 WeakPolarHBondContact CA-OG 3.49Å; R623-S626 PolarHBondContact O-OG 3.27Å; S626-S628 VanDerWaalsContact C-N 3.34Å; S626-S629 PolarHBondContact O-N 2.93Å; S626-S629 PolarHBondContact O-OG 2.83Å; S626-E630 PolarHBondContact O-N 3.32Å
627	S	60.1	Low	67.8	Low	59 Å²	59	108.4 Å²	108.4	41%	0.413	55%	0.548	S	S	.	.	H	α-helix	trans	-71	-28	176.3	75.9	0	0	0	0	113.5	R623 S624 R631	R623-S627 WeakPolarHBondContact O-CB 3.39Å; R623-S627 PolarHBondContact O-N 2.78Å; R623-S627 PolarHBondContact O-OG 2.99Å; S624-S627 PolarHBondContact O-N 3.34Å; S624-S627 PolarHBondContact O-OG 3.22Å; S627-R631 PolarHBondContact O-N 2.85Å
628	S	57.8	Low	65.5	Low	74 Å²	74	112.7 Å²	112.7	52%	0.517	56%	0.56	S	S	.	*	H	α-helix	trans	-80.9	-29.1	175.9	48.9	0	0	0	0	112.6	S624 A625 S626 G632	S624-S628 PolarHBondContact O-N 2.89Å; S624-S628 VanDerWaalsContact O-N 3.13Å; S624-S628 PolarHBondContact O-OG 2.8Å; S624-S628 VanDerWaalsContact O-OG 3.05Å; A625-S628 WeakPolarHBondContact CA-OG 3.47Å; A625-S628 PolarHBondContact O-OG 3.48Å; S626-S628 VanDerWaalsContact C-N 3.34Å; S628-G632 PolarHBondContact O-N 2.89Å; S628-G632 VanDerWaalsContact O-N 3.09Å
629	S	54.9	Low	63.1	Low	70 Å²	70	109.1 Å²	109.1	49%	0.49	55%	0.553	S	S	.	*	H	α-helix	trans	-67.7	-40	168.7	59.1	0	0	0	0	112.3	A625 S626 R631 G632 E633	A625-S629 PolarHBondContact O-N 2.7Å; S626-S629 PolarHBondContact O-N 2.93Å; S626-S629 PolarHBondContact O-OG 2.83Å; S629-R631 PolarHBondContact O-N 3.45Å; S629-G632 PolarHBondContact O-N 3.19Å; S629-E633 PolarHBondContact O-N 3Å
630	E	53.3	Low	60.8	Low	132 Å²	132	112.3 Å²	112.3	62%	0.617	57%	0.568	S	S	*	*	H	α-helix	trans	-65.1	-37	175.2	-76.4	179.2	169.4	0	0	112.6	S626 E633 H634	S626-E630 PolarHBondContact O-N 3.32Å; E630-E633 PolarHBondContact O-N 3.47Å; E630-H634 PolarHBondContact O-N 3.33Å
631	R	50.6	Low	58.5	Low	205 Å²	205	112.8 Å²	112.8	77%	0.774	58%	0.575	S	S	*	*	H	α-helix	trans	-68.1	-32.2	172.1	-79.4	-174.7	-178.5	-165.5	1.4	113.3	S627 S629 W635	S627-R631 PolarHBondContact O-N 2.85Å; S629-R631 PolarHBondContact O-N 3.45Å; R631-W635 PolarHBondContact O-N 3.01Å; R631-W635 VanDerWaalsContact O-N 3.15Å
632	G	49.8	Very low	56.1	Low	37 Å²	37	116.9 Å²	116.9	38%	0.381	59%	0.588	S	S	.	*	H	α-helix	trans	-68.9	-35.6	174.2	0	0	0	0	0	113.2	S628 S629 K636	S628-G632 PolarHBondContact O-N 2.89Å; S628-G632 VanDerWaalsContact O-N 3.09Å; S629-G632 PolarHBondContact O-N 3.19Å; G632-K636 PolarHBondContact O-N 2.79Å
633	E	49.6	Very low	53.9	Low	140 Å²	140	119 Å²	119	65%	0.654	60%	0.599	S	S	*	*	H	α-helix	trans	-73.1	-35.3	173.4	-72.8	-170.9	162.3	0	0	112.4	S629 E630 W635 K636 T637	S629-E633 PolarHBondContact O-N 3Å; E630-E633 PolarHBondContact O-N 3.47Å; E633-W635 VanDerWaalsContact C-N 3.34Å; E633-W635 PolarHBondContact O-N 3.43Å; E633-K636 PolarHBondContact O-N 3.19Å; E633-T637 PolarHBondContact O-N 3.28Å; E633-T637 PolarHBondContact O-OG1 2.94Å
634	H	47.3	Very low	51.7	Low	143 Å²	143	121.4 Å²	121.4	66%	0.662	61%	0.608	S	S	*	*	H	α-helix	trans	-66.7	-30.7	173.5	-112.8	-44.5	0	0	0	113.7	E630 T637 R638	E630-H634 PolarHBondContact O-N 3.33Å; H634-T637 WeakPolarHBondContact CA-OG1 3.44Å; H634-T637 PolarHBondContact O-OG1 3.28Å; H634-R638 WeakPolarHBondContact O-CB 3.43Å; H634-R638 PolarHBondContact O-N 3.4Å
635	W	45.3	Very low	49.7	Very low	175 Å²	175	125.9 Å²	125.9	66%	0.663	63%	0.625	S	S	*	*	H	α-helix	trans	-69.8	-38.5	171.2	166.8	-102.1	0	0	0	112.3	R631 E633 R638 N639	R631-W635 PolarHBondContact O-N 3.01Å; R631-W635 VanDerWaalsContact O-N 3.15Å; E633-W635 VanDerWaalsContact C-N 3.34Å; E633-W635 PolarHBondContact O-N 3.43Å; W635-R638 PolarHBondContact O-N 3.12Å; W635-N639 WeakPolarHBondContact CZ2-ND2 3.4Å; W635-N639 PolarHBondContact O-N 3.32Å
636	K	46	Very low	47.9	Very low	157 Å²	157	131.9 Å²	131.9	68%	0.683	64%	0.644	S	S	*	*	H	α-helix	trans	-70.6	-34.7	176.9	-78.2	-174.6	177.8	179.1	0	113.1	G632 E633	G632-K636 PolarHBondContact O-N 2.79Å; E633-K636 PolarHBondContact O-N 3.19Å
637	T	48.5	Very low	46.2	Very low	77 Å²	77	138.4 Å²	138.4	47%	0.472	67%	0.668	S	S	.	*	H	α-helix	trans	-73.7	-28.4	175	27.6	0	0	0	0	113.1	E633 H634 Q640	E633-T637 PolarHBondContact O-N 3.28Å; E633-T637 PolarHBondContact O-OG1 2.94Å; H634-T637 WeakPolarHBondContact CA-OG1 3.44Å; H634-T637 PolarHBondContact O-OG1 3.28Å; T637-Q640 PolarHBondContact O-N 3.42Å
638	R	44.6	Very low	44.9	Very low	201 Å²	201	144.5 Å²	144.5	76%	0.758	69%	0.69	S	S	*	*	H	α-helix	trans	-73.9	-27.1	177.5	-150.8	171.2	-177.8	169.5	-0.3	113.5	H634 W635	H634-R638 WeakPolarHBondContact O-CB 3.43Å; H634-R638 PolarHBondContact O-N 3.4Å; W635-R638 PolarHBondContact O-N 3.12Å
639	N	43	Very low	44	Very low	95 Å²	95	146 Å²	146	51%	0.508	70%	0.698	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.2	-6.3	174.5	-80.7	-10.2	0	0	0	114.6	W635	W635-N639 WeakPolarHBondContact CZ2-ND2 3.4Å; W635-N639 PolarHBondContact O-N 3.32Å
640	Q	44.7	Very low	43.1	Very low	152 Å²	152	150.8 Å²	150.8	71%	0.71	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	-16.4	169.2	-86.5	179.6	-15.9	0	0	113.3	T637	T637-Q640 PolarHBondContact O-N 3.42Å
641	C	43.7	Very low	42	Very low	107 Å²	107	154.4 Å²	154.4	72%	0.723	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	19.3	177.6	-69.9	0	0	0	0	114.6
642	H	41.9	Very low	41.6	Very low	170 Å²	170	151.9 Å²	151.9	79%	0.787	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.1	10.4	173.2	-98.2	36.5	0	0	0	114.3
643	N	42.8	Very low	41.1	Very low	142 Å²	142	157.9 Å²	157.9	76%	0.759	77%	0.774	S	S	*	*	S	Bend	trans	-114.3	14.8	179.6	-94.3	4.8	0	0	0	114.9
644	W	38.8	Very low	40.7	Very low	238 Å²	238	158.9 Å²	158.9	90%	0.902	78%	0.78	S	S	*	*			trans	-142	77.4	178.6	-74	74.5	0	0	0	110.3
645	I	37.8	Very low	40.3	Very low	155 Å²	155	159.9 Å²	159.9	80%	0.795	79%	0.787	S	S	*	*	S	Bend	trans	-155	103.6	144.7	-90.9	141.6	0	0	0	107.4
646	Q	35.1	Very low	40	Very low	180 Å²	180	158.9 Å²	158.9	84%	0.841	80%	0.795	S	S	*	*			trans	72.8	88	142.4	-62.4	-176.8	-19.3	0	0	119.7
647	E	34.3	Very low	39.5	Very low	197 Å²	197	159.1 Å²	159.1	92%	0.921	80%	0.803	S	S	*	*				-86.1	123.5	116.2	-76.1	-176.5	157.3	0	0	107.3
648	E	32.7	Very low	38.9	Very low	187 Å²	187	164.9 Å²	164.9	87%	0.874	83%	0.826	S	S	*	*				-163.9	149.8	129.7	-106.3	-163.6	179.9	0	0	111
649	P	39.1	Very low	38.5	Very low	106 Å²	106	162.2 Å²	162.2	69%	0.688	83%	0.831	S	S	*	*			trans	-101.7	153.2	-167.7	37.1	-27.8	0	0	0	114.5
650	L	35.8	Very low	38.1	Very low	171 Å²	171	167.8 Å²	167.8	90%	0.895	86%	0.858	S	S	*	*			trans	35.7	107.6	146.3	-70.5	158.6	0	0	0	119.8
651	C	30.6	Very low	37.5	Very low	208 Å²	208	169.2 Å²	169.2	100%	1.405	87%	0.872	S	S	*	*				-159.7	0	114.2	-135.2	0	0	0	0	110.2

Retrieved 651 of 651 residues in 538.8 ms (Link to these results)

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