A0A087Y0I7_POEFO Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A087Y0I7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 701 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.4	Very low	33.2	Very low	245 Å²	245	135.9 Å²	135.9	100%	1.207	79%	0.794	S	S	*	*				0	122.5	0	-77.6	-179	172.5	0	0	107.1
2	S	32.8	Very low	32.9	Very low	108 Å²	108	138.8 Å²	138.8	76%	0.755	79%	0.794	S	S	*	*			trans	-51.5	161.7	167.6	-42.4	0	0	0	0	109.8
3	V	33.3	Very low	33.1	Very low	122 Å²	122	142.2 Å²	142.2	74%	0.739	79%	0.786	S	S	*	*				-175.8	146.9	58.1	-130.7	0	0	0	0	109.4
4	N	31.7	Very low	33.4	Very low	143 Å²	143	141.4 Å²	141.4	77%	0.765	79%	0.79	S	S	*	*			trans	23.1	149.4	132.8	-57.6	-9.5	0	0	0	119.4
5	S	32.6	Very low	33.4	Very low	99 Å²	99	141.3 Å²	141.3	69%	0.692	78%	0.781	S	S	*	*				-177.4	139.6	53.8	-36	0	0	0	0	107.8
6	E	33.2	Very low	33.4	Very low	161 Å²	161	140.4 Å²	140.4	75%	0.752	78%	0.782	S	S	*	*				52.9	145.1	104.1	-72.5	-158.4	123.3	0	0	116
7	K	31.9	Very low	33.5	Very low	163 Å²	163	142.9 Å²	142.9	71%	0.709	79%	0.786	S	S	*	*			cis	176.1	148.2	-9.6	-158.1	-178.7	-146.9	152.6	0	104.8
8	S	32.5	Very low	33.6	Very low	103 Å²	103	145.8 Å²	145.8	72%	0.72	79%	0.793	S	S	*	*			trans	37.6	128	149.9	64.6	0	0	0	0	122.8
9	S	30.2	Very low	33.6	Very low	117 Å²	117	149.6 Å²	149.6	82%	0.818	80%	0.801	S	S	*	*				171.3	135.2	118.2	57.9	0	0	0	0	113.5
10	S	32.6	Very low	33.6	Very low	107 Å²	107	146.5 Å²	146.5	75%	0.748	80%	0.797	S	S	*	*			trans	-43.2	162	162.6	37.9	0	0	0	0	115.3
11	P	39.1	Very low	33.8	Very low	127 Å²	127	146.6 Å²	146.6	83%	0.825	80%	0.796	S	S	*	*				-153.7	-163.6	55.3	39.7	-14.3	0	0	0	117.6
12	E	30	Very low	33.9	Very low	171 Å²	171	141.6 Å²	141.6	80%	0.799	78%	0.779	S	S	*	*			trans	-68.4	154.1	-159.9	-61.8	173.2	104	0	0	121.6
13	R	35.7	Very low	34.1	Very low	183 Å²	183	142 Å²	142	69%	0.691	78%	0.777	S	S	*	*			trans	62.2	143.1	135.8	-85.6	-178.7	175.8	-145.2	-2.1	121.8	E15	R13-E15 IonicContact CZ-OE1 2.82Å; R13-E15 IonicContact NH1-OE1 3.49Å; R13-E15 PolarHBondContact NH1-OE1 2.78Å
14	P	36.1	Very low	34.8	Very low	130 Å²	130	142.4 Å²	142.4	84%	0.844	78%	0.78	S	S	*	*				-143.9	162.5	83.6	34.9	-15	0	0	0	117.4
15	E	34.2	Very low	36	Very low	140 Å²	140	141.2 Å²	141.2	65%	0.654	78%	0.78	S	S	*	*			trans	-70.6	157.2	178.8	-62.1	170.3	150.6	0	0	113.8	R13	R13-E15 IonicContact CZ-OE1 2.82Å; R13-E15 IonicContact NH1-OE1 3.49Å; R13-E15 PolarHBondContact NH1-OE1 2.78Å
16	T	33	Very low	37.3	Very low	128 Å²	128	142 Å²	142	79%	0.785	78%	0.783	S	S	*	*			trans	-161.8	112.4	134.6	5.6	0	0	0	0	113.7
17	Q	34.7	Very low	38.4	Very low	183 Å²	183	139.9 Å²	139.9	86%	0.855	78%	0.783	S	S	*	*			trans	68.7	97.2	134.9	-68.5	177.5	11.5	0	0	122.5
18	Q	35.9	Very low	39.9	Very low	195 Å²	195	137.7 Å²	137.7	91%	0.911	79%	0.785	S	S	*	*			trans	-10.4	139.4	136.7	-75.9	168.7	-12.1	0	0	120.1
19	K	34.5	Very low	41.3	Very low	217 Å²	217	138.3 Å²	138.3	94%	0.943	79%	0.787	S	S	*	*			trans	-131.4	135.8	136	-152.1	176.3	-173.4	-178.4	0	109.4
20	A	33.3	Very low	42.8	Very low	87 Å²	87	138.3 Å²	138.3	72%	0.719	78%	0.784	S	S	*	*			trans	-89.7	141.3	-163.9	0	0	0	0	0	114.8
21	L	37.1	Very low	44.2	Very low	149 Å²	149	138.6 Å²	138.6	78%	0.78	78%	0.783	S	S	*	*			trans	38.1	121.4	134.6	-92.4	118.2	0	0	0	122.6	T23	L21-T23 HydrophobicContact CD2-CG2 3.96Å
22	V	36.8	Very low	45.2	Very low	141 Å²	141	138 Å²	138	86%	0.855	78%	0.78	S	S	*	*			trans	-137.3	122	133.9	177.7	0	0	0	0	108.6
23	T	37.9	Very low	46.3	Very low	117 Å²	117	135.5 Å²	135.5	72%	0.718	78%	0.778	S	S	*	*			trans	-80.5	133.8	175.3	36.7	0	0	0	0	112	L21	L21-T23 HydrophobicContact CD2-CG2 3.96Å
24	T	48.2	Very low	47.2	Very low	129 Å²	129	132.2 Å²	132.2	79%	0.791	78%	0.781	S	S	*	*			trans	-113.6	144.9	161.9	47.3	0	0	0	0	109.9
25	P	56.8	Low	48.1	Very low	118 Å²	118	131.5 Å²	131.5	77%	0.766	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-75.2	157.2	-175.6	30.8	-33.3	0	0	0	112.2
26	P	59	Low	48.5	Very low	116 Å²	116	130.9 Å²	130.9	75%	0.753	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-70.3	150.6	-177.7	29.1	-33.8	0	0	0	112.3
27	P	57.7	Low	48.6	Very low	117 Å²	117	134 Å²	134	76%	0.76	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-71.6	152.9	179.9	29.4	-33.8	0	0	0	112.3
28	P	62.4	Low	48.7	Very low	116 Å²	116	133.2 Å²	133.2	75%	0.753	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-70	154.8	178	29.4	-33.8	0	0	0	112.2
29	P	63.1	Low	48.8	Very low	117 Å²	117	128.8 Å²	128.8	76%	0.76	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-66.7	151.7	-179.2	27.5	-33.8	0	0	0	112.2
30	P	61.3	Low	48.9	Very low	116 Å²	116	121 Å²	121	75%	0.753	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-67.2	151	-178.4	27.7	-33.7	0	0	0	111.9
31	P	60.8	Low	49	Very low	113 Å²	113	123 Å²	123	73%	0.734	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-67.5	152.5	179.4	28	-33.3	0	0	0	111.8
32	P	60	Low	48.7	Very low	116 Å²	116	122.3 Å²	122.3	75%	0.753	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-65	150.9	178.3	27.2	-33.4	0	0	0	111.6
33	P	54.7	Low	48.5	Very low	117 Å²	117	123.6 Å²	123.6	76%	0.76	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-64.1	149.9	-179.6	27.1	-33.5	0	0	0	111.1
34	P	54.8	Low	48.3	Very low	115 Å²	115	123.3 Å²	123.3	75%	0.747	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-63.1	150.3	177.7	26.7	-32.7	0	0	0	111.2
35	P	54.7	Low	47.5	Very low	114 Å²	114	126.1 Å²	126.1	74%	0.74	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-62.2	151	175.5	26	-32.1	0	0	0	110.8	E37	P35-E37 PolarHBondContact O-N 3.31Å
36	P	41.5	Very low	46.4	Very low	128 Å²	128	129.1 Å²	129.1	83%	0.831	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-59.7	126.9	-176.7	23.4	-31.5	0	0	0	110.2	L38	P36-L38 PolarHBondContact O-N 2.65Å
37	E	34.8	Very low	45.2	Very low	192 Å²	192	130.6 Å²	130.6	90%	0.897	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-60.2	127.9	173.5	-149.7	163.8	-160.2	0	0	108.1	P35 A39	P35-E37 PolarHBondContact O-N 3.31Å; E37-A39 PolarHBondContact O-N 3Å; E37-A39 VanDerWaalsContact O-N 3.15Å
38	L	38.5	Very low	44.1	Very low	168 Å²	168	132.7 Å²	132.7	88%	0.88	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-54	121.4	174.1	-80.3	156.6	0	0	0	107.9	P36 G40	P36-L38 PolarHBondContact O-N 2.65Å; L38-G40 PolarHBondContact O-N 3.38Å
39	A	36.8	Very low	42.8	Very low	102 Å²	102	131.7 Å²	131.7	84%	0.843	77%	0.769	S	S	*	*			trans	-48.5	109.6	172.6	0	0	0	0	0	108.8	E37	E37-A39 PolarHBondContact O-N 3Å; E37-A39 VanDerWaalsContact O-N 3.15Å
40	G	37.3	Very low	41.2	Very low	52 Å²	52	128 Å²	128	54%	0.536	75%	0.752	S	S	.	*			trans	-55.8	157.2	161.1	0	0	0	0	0	108.7	L38 T42	L38-G40 PolarHBondContact O-N 3.38Å; G40-T42 PolarHBondContact O-N 2.72Å
41	P	35.4	Very low	39.9	Very low	129 Å²	129	126 Å²	126	84%	0.838	74%	0.741	S	S	*	*			trans	-51.2	126	175.4	23.1	-30.8	0	0	0	107.7	E43	P41-E43 PolarHBondContact O-N 2.98Å
42	T	29.5	Very low	38.9	Very low	136 Å²	136	124.7 Å²	124.7	83%	0.834	73%	0.728	S	S	*	*			trans	-39.4	108	167.3	31.5	0	0	0	0	107.9	G40	G40-T42 PolarHBondContact O-N 2.72Å
43	E	33	Very low	38.2	Very low	168 Å²	168	121.4 Å²	121.4	79%	0.785	70%	0.704	S	S	*	*			trans	-44	129	155.5	-70.4	-84.8	154.6	0	0	105.4	P41 E45	P41-E43 PolarHBondContact O-N 2.98Å; E43-E45 PolarHBondContact O-N 3.07Å
44	P	34.9	Very low	38	Very low	110 Å²	110	123.1 Å²	123.1	71%	0.714	70%	0.702	S	S	*	*			trans	-54	121.2	176.2	23	-29.8	0	0	0	106.2	E46	P44-E46 PolarHBondContact O-N 2.92Å
45	E	30.9	Very low	38.4	Very low	189 Å²	189	123.6 Å²	123.6	88%	0.883	69%	0.694	S	S	*	*			trans	-43.2	113.4	172.1	-71.1	177.2	161	0	0	106.2	E43 E47	E43-E45 PolarHBondContact O-N 3.07Å; E45-E47 VanDerWaalsContact C-N 3.25Å; E45-E47 PolarHBondContact O-N 2.81Å
46	E	32.7	Very low	39.5	Very low	180 Å²	180	122 Å²	122	84%	0.841	68%	0.677	S	S	*	*			trans	-54.5	105	170.8	-75.3	-175	156.8	0	0	104.5	P44 I48	P44-E46 PolarHBondContact O-N 2.92Å; E46-I48 PolarHBondContact O-N 2.88Å
47	E	34.9	Very low	41.5	Very low	147 Å²	147	116 Å²	116	69%	0.687	64%	0.637	S	S	*	*			trans	-46.8	110	170	-159.6	174.4	-168.4	0	0	104	E45 L49	E45-E47 VanDerWaalsContact C-N 3.25Å; E45-E47 PolarHBondContact O-N 2.81Å; E47-L49 HydrophobicContact CB-CD1 4.43Å; E47-L49 HydrophobicContact CG-CD1 4.43Å; E47-L49 PolarHBondContact O-N 2.85Å
48	I	33.9	Very low	43.8	Very low	162 Å²	162	111.2 Å²	111.2	83%	0.831	62%	0.618	S	S	*	*			trans	-64.7	80.1	178.4	-60.6	171.3	0	0	0	104.8	E46 G50	E46-I48 PolarHBondContact O-N 2.88Å; I48-G50 PolarHBondContact O-N 3.3Å
49	L	35.1	Very low	46.1	Very low	95 Å²	95	107.1 Å²	107.1	50%	0.497	60%	0.601	S	S	.	*			trans	-67.7	103.2	173.9	-127.3	94.2	0	0	0	103.3	E47 S51 D53	E47-L49 HydrophobicContact CB-CD1 4.43Å; E47-L49 HydrophobicContact CG-CD1 4.43Å; E47-L49 PolarHBondContact O-N 2.85Å; L49-S51 PolarHBondContact O-N 3.38Å; L49-D53 HydrophobicContact CD2-CB 4.04Å
50	G	29.9	Very low	48.5	Very low	40 Å²	40	105.4 Å²	105.4	41%	0.412	59%	0.587	S	S	.	*			trans	-48.4	130.2	161.7	0	0	0	0	0	107.9	I48 D52	I48-G50 PolarHBondContact O-N 3.3Å; G50-D52 PolarHBondContact O-N 2.9Å
51	S	33.4	Very low	51.1	Low	74 Å²	74	105.2 Å²	105.2	52%	0.517	57%	0.574	S	S	.	*	G	3₁₀ helix	trans	-51.9	2.3	-176.9	49.4	0	0	0	0	116.6	L49	L49-S51 PolarHBondContact O-N 3.38Å
52	D	39.6	Very low	53.8	Low	85 Å²	85	100.2 Å²	100.2	46%	0.455	54%	0.539	S	S	.	.	G	3₁₀ helix	trans	-71.4	-28.7	179.6	-98.2	3.1	0	0	0	113.7	G50 E54	G50-D52 PolarHBondContact O-N 2.9Å; D52-E54 PolarHBondContact O-N 2.9Å
53	D	47	Very low	56.8	Low	46 Å²	46	96.8 Å²	96.8	25%	0.246	52%	0.52	C	S	.	.	G	3₁₀ helix	trans	-80.1	-4.6	-178.7	-76.2	-29.3	0	0	0	112.7	L49 K174 S247 G248 S249	L49-D53 HydrophobicContact CD2-CB 4.04Å; D53-K174 VanDerWaalsContact CG-NZ 3.28Å; D53-K174 IonicContact OD1-NZ 3.72Å; D53-K174 PolarHBondContact OD1-NZ 3.28Å; D53-K174 IonicContact OD2-NZ 2.81Å; D53-K174 PolarHBondContact OD2-NZ 2.83Å; D53-S247 PolarHBondContact O-OG 2.77Å; D53-G248 PolarHBondContact O-N 3.36Å; D53-S249 PolarHBondContact O-N 3.47Å
54	E	49.1	Very low	59.7	Low	154 Å²	154	97.9 Å²	97.9	72%	0.72	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	-21.5	174.4	-63.5	-163.1	162.5	0	0	113.8	D52 Q56	D52-E54 PolarHBondContact O-N 2.9Å; E54-Q56 PolarHBondContact O-N 3.48Å
55	E	64.6	Low	62.5	Low	124 Å²	124	93.4 Å²	93.4	58%	0.579	50%	0.496	S	S	*	.			trans	-73.5	123.2	-175.7	-132.1	178.1	-157.7	0	0	110.8	W88	E55-W88 HydrophobicContact CB-CZ2 4.45Å; E55-W88 PolarHBondContact O-NE1 2.95Å
56	Q	76.4	Confident	65.5	Low	82 Å²	82	84.7 Å²	84.7	38%	0.383	46%	0.457	S	S	.	.			trans	-109.2	152.9	179.2	-70.9	-169.8	-3.6	0	0	109.5	E54 W88 G248 T253	E54-Q56 PolarHBondContact O-N 3.48Å; Q56-W88 WeakPolarHBondContact O-CZ2 3.39Å; Q56-G248 PolarHBondContact NE2-O 3.33Å; Q56-T253 HydrophobicContact CB-CG2 3.77Å; Q56-T253 HydrophobicContact CG-CG2 3.49Å; Q56-T253 VanDerWaalsContact CG-CG2 3.49Å; Q56-T253 VanDerWaalsContact OE1-CB 3.23Å
57	E	83.6	Confident	68.5	Low	0 Å²	0	76.2 Å²	76.2	0%	0	42%	0.417	C	S	.	.			trans	-60.9	147.6	173.7	71.1	-82.4	-139.2	0	0	111	P59 Y62 Y67 K85 W88 T253	E57-P59 VanDerWaalsContact O-CD 3.24Å; E57-P59 WeakPolarHBondContact O-CD 3.3Å; E57-P59 VanDerWaalsContact O-N 3.16Å; E57-Y62 HydrophobicContact CG-CE2 3.63Å; E57-Y62 PolarHBondContact OE1-OH 2.68Å; E57-Y67 HydrophobicContact CB-CD2 4.48Å; E57-Y67 HydrophobicContact CB-CE2 3.77Å; E57-Y67 HydrophobicContact CG-CD2 4.06Å; E57-Y67 HydrophobicContact CG-CE2 3.86Å; E57-K85 IonicContact OE1-NZ 2.81Å; E57-K85 PolarHBondContact OE1-NZ 3.26Å; E57-K85 IonicContact OE2-NZ 3.17Å; E57-K85 PolarHBondContact OE2-NZ 3.35Å; E57-W88 HydrophobicContact CB-CD2 3.66Å; E57-W88 HydrophobicContact CB-CE3 3.38Å; E57-W88 HydrophobicContact CB-CG 4.24Å; E57-W88 HydrophobicContact CB-CH2 4.29Å; E57-W88 HydrophobicContact CB-CZ3 3.72Å; E57-W88 VanDerWaalsContact N-CE2 3.31Å; E57-T253 PolarHBondContact OE1-OG1 2.87Å; E57-T253 WeakPolarHBondContact OE2-CG2 3.17Å; E57-T253 PolarHBondContact OE2-OG1 2.6Å
58	D	84	Confident	71.4	Confident	93 Å²	93	70.2 Å²	70.2	50%	0.497	39%	0.389	S	S	.	.			trans	-57.9	119.5	179.3	-172.4	-15.7	0	0	0	110.4	A60 D61	D58-A60 PolarHBondContact O-N 3.17Å; D58-A60 WeakPolarHBondContact OD1-CB 3.27Å; D58-A60 PolarHBondContact OD1-N 3.01Å; D58-D61 WeakPolarHBondContact O-CB 3.35Å; D58-D61 PolarHBondContact O-N 3.1Å
59	P	86.6	Confident	74.2	Confident	81 Å²	81	63.3 Å²	63.3	53%	0.526	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-55.6	-24.7	175.1	-27	36.5	0	0	0	113.8	E57 D61 Y62	E57-P59 VanDerWaalsContact O-CD 3.24Å; E57-P59 WeakPolarHBondContact O-CD 3.3Å; E57-P59 VanDerWaalsContact O-N 3.16Å; P59-D61 VanDerWaalsContact C-N 3.26Å; P59-D61 PolarHBondContact O-N 3.08Å; P59-Y62 PolarHBondContact O-N 3.24Å
60	A	87.5	Confident	76.9	Confident	67 Å²	67	58.8 Å²	58.8	55%	0.554	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-66.9	-25.5	176.1	0	0	0	0	0	113	D58 Y62	D58-A60 PolarHBondContact O-N 3.17Å; D58-A60 WeakPolarHBondContact OD1-CB 3.27Å; D58-A60 PolarHBondContact OD1-N 3.01Å; A60-Y62 PolarHBondContact O-N 2.91Å
61	D	91.5	Very high	79.6	Confident	48 Å²	48	60.6 Å²	60.6	26%	0.257	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-72.9	-6.8	176.6	-83.7	-14	0	0	0	113	D58 P59 C63 G66 Y67 K112	D58-D61 WeakPolarHBondContact O-CB 3.35Å; D58-D61 PolarHBondContact O-N 3.1Å; P59-D61 VanDerWaalsContact C-N 3.26Å; P59-D61 PolarHBondContact O-N 3.08Å; D61-C63 PolarHBondContact O-N 3.42Å; D61-G66 CarbonylContact O-C 3.29Å; D61-G66 WeakPolarHBondContact O-CA 3.15Å; D61-Y67 HydrophobicContact CB-CD2 3.34Å; D61-Y67 HydrophobicContact CB-CE2 3.36Å; D61-Y67 PolarHBondContact O-N 3.38Å; D61-Y67 WeakPolarHBondContact OD2-CE2 3.31Å; D61-K112 IonicContact OD1-NZ 2.72Å; D61-K112 IonicContact OD2-NZ 2.9Å; D61-K112 PolarHBondContact OD2-NZ 3.42Å
62	Y	92.4	Very high	82.1	Confident	24 Å²	24	59.7 Å²	59.7	9%	0.094	32%	0.316	C	S	.	.	S	Bend	trans	-80.3	51.9	171.1	-75.3	-87.4	0	0	0	112.3	E57 P59 A60 Y67 P69 N157 A254 P255	E57-Y62 HydrophobicContact CG-CE2 3.63Å; E57-Y62 PolarHBondContact OE1-OH 2.68Å; P59-Y62 PolarHBondContact O-N 3.24Å; A60-Y62 PolarHBondContact O-N 2.91Å; Y62-Y67 HydrophobicContact CD2-CD2 4.45Å; Y62-Y67 HydrophobicContact CE2-CD2 4.32Å; Y62-P69 HydrophobicContact CD1-CB 4.26Å; Y62-P69 HydrophobicContact CE1-CB 4.33Å; Y62-N157 PolarHBondContact O-ND2 3.34Å; Y62-A254 HydrophobicContact CD1-CB 4.15Å; Y62-A254 HydrophobicContact CE1-CB 3.58Å; Y62-P255 HydrophobicContact CG-CG 4.39Å
63	C	92.6	Very high	84.2	Confident	64 Å²	64	56.2 Å²	56.2	43%	0.432	30%	0.3	S	S	.	.	S	Bend	trans	-119.4	177	178.8	63.7	0	0	0	0	111.8	D61 G65 G66 N157	D61-C63 PolarHBondContact O-N 3.42Å; C63-G65 PolarHBondContact O-N 3.32Å; C63-G66 WeakPolarHBondContact O-CA 3.19Å; C63-G66 PolarHBondContact O-N 2.94Å; C63-N157 VanDerWaalsContact C-CG 3.4Å; C63-N157 WeakPolarHBondContact O-CB 3.25Å; C63-N157 PolarHBondContact O-ND2 2.98Å; C63-N157 PolarHBondContact O-OD1 2.91Å
64	K	93.8	Very high	86.2	Confident	190 Å²	190	55.9 Å²	55.9	83%	0.826	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	126.6	176.6	-174.9	-178.2	178.8	-176.2	0	110.4	G66 N157	K64-G66 PolarHBondContact O-N 3.32Å; K64-N157 WeakPolarHBondContact CA-O 3.32Å
65	G	93.3	Very high	88.3	Confident	17 Å²	17	52.8 Å²	52.8	18%	0.175	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.3	-14.4	-172.1	0	0	0	0	0	114.2	C63 S113 A114 N157	C63-G65 PolarHBondContact O-N 3.32Å; G65-S113 VanDerWaalsContact C-OG 3.25Å; G65-S113 WeakPolarHBondContact CA-OG 3.37Å; G65-S113 PolarHBondContact N-OG 3.27Å; G65-S113 PolarHBondContact O-N 3.42Å; G65-A114 VanDerWaalsContact O-CB 3.3Å; G65-A114 WeakPolarHBondContact O-CB 3.43Å; G65-A114 PolarHBondContact O-N 2.95Å; G65-N157 PolarHBondContact N-O 3.38Å
66	G	94.3	Very high	89.7	Confident	6 Å²	6	47.7 Å²	47.7	6%	0.062	26%	0.263	C	S	.	.	S	Bend	trans	-89.1	-149.6	178.5	0	0	0	0	0	113.6	D61 C63 K64 K112 S113 H160	D61-G66 CarbonylContact O-C 3.29Å; D61-G66 WeakPolarHBondContact O-CA 3.15Å; C63-G66 WeakPolarHBondContact O-CA 3.19Å; C63-G66 PolarHBondContact O-N 2.94Å; K64-G66 PolarHBondContact O-N 3.32Å; G66-K112 VanDerWaalsContact O-CA 3.3Å; G66-K112 WeakPolarHBondContact O-CA 3.09Å; G66-S113 PolarHBondContact O-N 3.36Å; G66-S113 PolarHBondContact O-OG 2.92Å; G66-H160 PolarHBondContact O-CE1 3.28Å; G66-H160 VanDerWaalsContact O-CE1 3.27Å
67	Y	95.4	Very high	90.6	Very high	1 Å²	1	48.3 Å²	48.3	0%	0.004	27%	0.268	C	S	.	.			trans	-67.8	155.9	-175.6	-67.5	-63.4	0	0	0	113.2	E57 D61 Y62 G89 H90 T93 K112 N157	E57-Y67 HydrophobicContact CB-CD2 4.48Å; E57-Y67 HydrophobicContact CB-CE2 3.77Å; E57-Y67 HydrophobicContact CG-CD2 4.06Å; E57-Y67 HydrophobicContact CG-CE2 3.86Å; D61-Y67 HydrophobicContact CB-CD2 3.34Å; D61-Y67 HydrophobicContact CB-CE2 3.36Å; D61-Y67 PolarHBondContact O-N 3.38Å; D61-Y67 WeakPolarHBondContact OD2-CE2 3.31Å; Y62-Y67 HydrophobicContact CD2-CD2 4.45Å; Y62-Y67 HydrophobicContact CE2-CD2 4.32Å; Y67-G89 PolarHBondContact OH-O 3.16Å; Y67-H90 PolarHBondContact OH-O 3.08Å; Y67-T93 HydrophobicContact CD1-CG2 4.02Å; Y67-T93 HydrophobicContact CE1-CG2 4.2Å; Y67-K112 HydrophobicContact CD1-CD 4.27Å; Y67-K112 HydrophobicContact CD1-CG 3.63Å; Y67-K112 HydrophobicContact CE1-CD 4.14Å; Y67-K112 HydrophobicContact CE1-CG 3.85Å; Y67-K112 HydrophobicContact CG-CG 4.18Å; Y67-K112 WeakPolarHBondContact OH-CE 3.35Å; Y67-N157 PolarHBondContact O-ND2 2.99Å
68	H	94.6	Very high	90.9	Very high	21 Å²	21	51.1 Å²	51.1	10%	0.097	30%	0.297	C	S	.	.			trans	-90.3	129.9	168.4	-172.6	73.3	0	0	0	110.3	V70 F76 V110 I153 H160	H68-V70 PolarHBondContact O-N 2.68Å; H68-F76 AromaticContact NE2-CZ 3.98Å; H68-V110 HydrophobicContact CB-CG1 3.81Å; H68-I153 HydrophobicContact CB-CD1 4.42Å; H68-H160 PolarHBondContact N-CE1 3.29Å; H68-H160 AromaticContact ND1-CD2 3.55Å; H68-H160 AromaticContact ND1-NE2 3.56Å
69	P	92.9	Very high	91.5	Very high	18 Å²	18	48.4 Å²	48.4	12%	0.117	28%	0.28	C	S	.	.			trans	-70.4	100.5	173	29.6	-34.1	0	0	0	111	Y62 V156 A254	Y62-P69 HydrophobicContact CD1-CB 4.26Å; Y62-P69 HydrophobicContact CE1-CB 4.33Å; P69-V156 HydrophobicContact CG-CG2 4.05Å; P69-A254 HydrophobicContact CB-CB 3.66Å
70	V	91.6	Very high	92	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.255	C	S	.	.			trans	-94.8	133	175.8	176.5	0	0	0	0	109.8	H68 F76 V82 W95 V110 S252	H68-V70 PolarHBondContact O-N 2.68Å; V70-F76 HydrophobicContact CG1-CE2 4.08Å; V70-F76 HydrophobicContact CG2-CZ 4.29Å; V70-V82 HydrophobicContact CG1-CG1 4.06Å; V70-V82 HydrophobicContact CG1-CG2 4.05Å; V70-W95 HydrophobicContact CB-CD2 4.16Å; V70-W95 HydrophobicContact CB-CH2 4.1Å; V70-W95 HydrophobicContact CB-CZ2 3.55Å; V70-W95 HydrophobicContact CG1-CD2 3.59Å; V70-W95 HydrophobicContact CG1-CE3 3.88Å; V70-W95 HydrophobicContact CG1-CG 4.1Å; V70-W95 HydrophobicContact CG1-CH2 4.1Å; V70-W95 HydrophobicContact CG1-CZ2 3.84Å; V70-W95 HydrophobicContact CG1-CZ3 4.1Å; V70-W95 HydrophobicContact CG2-CZ2 4.41Å; V70-V110 HydrophobicContact CG2-CG2 4.2Å; V70-S252 WeakPolarHBondContact O-CB 3.29Å; V70-S252 PolarHBondContact O-OG 3.43Å
71	K	87.8	Confident	92.2	Very high	78 Å²	78	41.9 Å²	41.9	34%	0.339	23%	0.231	S	C	.	.			trans	-112.4	148.4	175.2	-57.9	-177.4	-175.9	-170.3	0	111.1	G73 D74	K71-G73 PolarHBondContact O-N 2.89Å; K71-D74 WeakPolarHBondContact CA-OD2 3.29Å; K71-D74 WeakPolarHBondContact CB-OD2 3.49Å; K71-D74 PolarHBondContact N-OD2 3.46Å; K71-D74 VanDerWaalsContact O-CB 3.26Å; K71-D74 WeakPolarHBondContact O-CB 3.31Å; K71-D74 VanDerWaalsContact O-CG 3.24Å; K71-D74 PolarHBondContact O-N 3.42Å; K71-D74 VanDerWaalsContact O-N 3.14Å
72	I	85.7	Confident	92.2	Very high	54 Å²	54	39.6 Å²	39.6	28%	0.277	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	134.5	168.7	-64.6	177.7	0	0	0	108.7	D74 I83 W95 Q239	I72-D74 VanDerWaalsContact C-N 3.34Å; I72-I83 WeakPolarHBondContact CG2-O 3.47Å; I72-W95 HydrophobicContact CG1-CZ3 4.44Å; I72-Q239 HydrophobicContact CG2-CG 4.47Å
73	G	84.1	Confident	92.1	Very high	12 Å²	12	38.9 Å²	38.9	12%	0.124	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.9	-3	-175.7	0	0	0	0	0	114.9	K71 H81 V82 Q279	K71-G73 PolarHBondContact O-N 2.89Å; G73-H81 PolarHBondContact O-CE1 3.45Å; G73-H81 VanDerWaalsContact O-CE1 3.29Å; G73-V82 PolarHBondContact N-O 3.21Å; G73-Q279 PolarHBondContact O-NE2 3.05Å
74	D	88.9	Confident	91.9	Very high	39 Å²	39	38 Å²	38	21%	0.209	20%	0.204	C	C	.	.			trans	-63.3	149.1	172.1	-74.8	-15.2	0	0	0	111	K71 I72 F76 H81 V82	K71-D74 WeakPolarHBondContact CA-OD2 3.29Å; K71-D74 WeakPolarHBondContact CB-OD2 3.49Å; K71-D74 PolarHBondContact N-OD2 3.46Å; K71-D74 VanDerWaalsContact O-CB 3.26Å; K71-D74 WeakPolarHBondContact O-CB 3.31Å; K71-D74 VanDerWaalsContact O-CG 3.24Å; K71-D74 PolarHBondContact O-N 3.42Å; K71-D74 VanDerWaalsContact O-N 3.14Å; I72-D74 VanDerWaalsContact C-N 3.34Å; D74-F76 HydrophobicContact CB-CD2 4.25Å; D74-F76 HydrophobicContact CB-CE2 3.71Å; D74-F76 HydrophobicContact CB-CZ 4.36Å; D74-H81 WeakPolarHBondContact O-CA 3.11Å; D74-V82 HydrophobicContact CB-CG2 4.1Å; D74-V82 PolarHBondContact O-N 3.15Å
75	L	92.9	Very high	91.7	Very high	89 Å²	89	28.9 Å²	28.9	47%	0.466	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	109.6	177.1	-178.1	65.5	0	0	0	109.8	Y80 H81 I100	L75-Y80 WeakPolarHBondContact CA-O 3.5Å; L75-H81 HydrophobicContact CD1-CB 4.35Å; L75-I100 HydrophobicContact CD1-CD1 3.56Å
76	F	94.6	Very high	91.6	Very high	18 Å²	18	30.4 Å²	30.4	8%	0.079	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	141.7	178.9	-73.3	-78.7	0	0	0	112	H68 V70 D74 G78 R79 Y80 V82 M108 F151 I153	H68-F76 AromaticContact NE2-CZ 3.98Å; V70-F76 HydrophobicContact CG1-CE2 4.08Å; V70-F76 HydrophobicContact CG2-CZ 4.29Å; D74-F76 HydrophobicContact CB-CD2 4.25Å; D74-F76 HydrophobicContact CB-CE2 3.71Å; D74-F76 HydrophobicContact CB-CZ 4.36Å; F76-G78 PolarHBondContact O-N 2.8Å; F76-R79 PolarHBondContact O-N 3.4Å; F76-Y80 PolarHBondContact N-O 2.97Å; F76-Y80 PolarHBondContact O-N 2.9Å; F76-V82 HydrophobicContact CD2-CG2 3.78Å; F76-V82 HydrophobicContact CE2-CG2 3.8Å; F76-M108 HydrophobicContact CB-SD 4.03Å; F76-M108 HydrophobicContact CD2-CE 3.54Å; F76-M108 HydrophobicContact CD2-SD 4.15Å; F76-M108 HydrophobicContact CE2-CE 3.91Å; F76-M108 HydrophobicContact CG-CE 4.11Å; F76-M108 HydrophobicContact CG-SD 4.17Å; F76-F151 HydrophobicContact CB-CE2 3.99Å; F76-F151 HydrophobicContact CB-CZ 3.91Å; F76-I153 HydrophobicContact CD1-CB 4.48Å; F76-I153 HydrophobicContact CD1-CD1 4.19Å; F76-I153 HydrophobicContact CD1-CG2 3.65Å; F76-I153 HydrophobicContact CE1-CB 4.42Å; F76-I153 HydrophobicContact CE1-CD1 3.54Å; F76-I153 HydrophobicContact CE1-CG2 4.05Å; F76-I153 HydrophobicContact CZ-CD1 4.3Å
77	N	94	Very high	91.3	Very high	94 Å²	94	31.1 Å²	31.1	50%	0.503	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	25.4	-179.4	-157.5	26.2	0	0	0	114.2	R79 Y80 F151	N77-R79 PolarHBondContact O-N 3.15Å; N77-R79 VanDerWaalsContact O-N 3.07Å; N77-Y80 HydrophobicContact CB-CD2 4.27Å; N77-F151 HydrophobicContact CB-CD1 4.13Å; N77-F151 HydrophobicContact CB-CD2 4.06Å; N77-F151 HydrophobicContact CB-CE1 4.14Å; N77-F151 HydrophobicContact CB-CE2 4.06Å; N77-F151 HydrophobicContact CB-CG 4.1Å; N77-F151 HydrophobicContact CB-CZ 4.11Å
78	G	91.3	Very high	91	Very high	59 Å²	59	35.1 Å²	35.1	61%	0.608	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.1	12.7	-173.1	0	0	0	0	0	115	F76	F76-G78 PolarHBondContact O-N 2.8Å
79	R	95.3	Very high	90.6	Very high	36 Å²	36	35.5 Å²	35.5	14%	0.136	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.4	-42.2	-165.9	177.9	175.7	179.8	-173.7	2.5	113.6	F76 N77 D99 I100 Q101 D149	F76-R79 PolarHBondContact O-N 3.4Å; N77-R79 PolarHBondContact O-N 3.15Å; N77-R79 VanDerWaalsContact O-N 3.07Å; R79-D99 VanDerWaalsContact CG-OD1 3.23Å; R79-D99 WeakPolarHBondContact CG-OD1 3.36Å; R79-D99 IonicContact CZ-OD1 3.15Å; R79-D99 IonicContact CZ-OD2 3.88Å; R79-D99 IonicContact NE-OD1 3.14Å; R79-D99 PolarHBondContact NE-OD1 2.91Å; R79-D99 IonicContact NE-OD2 3.18Å; R79-D99 PolarHBondContact NE-OD2 3.18Å; R79-D99 IonicContact NH2-OD1 3.82Å; R79-D99 IonicContact NH2-OD2 2.68Å; R79-D99 PolarHBondContact NH2-OD2 2.9Å; R79-I100 VanDerWaalsContact O-CG1 3.31Å; R79-I100 WeakPolarHBondContact O-CG1 3.45Å; R79-I100 PolarHBondContact O-N 3.34Å; R79-Q101 HydrophobicContact CG-CB 4.47Å; R79-Q101 HydrophobicContact CG-CG 3.98Å; R79-D149 IonicContact NH1-OD2 2.68Å; R79-D149 PolarHBondContact NH1-OD2 3.04Å
80	Y	96.9	Very high	90.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	110.3	-169.6	-60	-67.6	0	0	0	111.2	L75 F76 N77 D99 V106 D149 F151 V164	L75-Y80 WeakPolarHBondContact CA-O 3.5Å; F76-Y80 PolarHBondContact N-O 2.97Å; F76-Y80 PolarHBondContact O-N 2.9Å; N77-Y80 HydrophobicContact CB-CD2 4.27Å; Y80-D99 HydrophobicContact CD1-CB 4.09Å; Y80-D99 HydrophobicContact CE1-CB 3.92Å; Y80-V106 HydrophobicContact CD1-CG2 3.7Å; Y80-V106 HydrophobicContact CE1-CG2 3.92Å; Y80-D149 HydrophobicContact CE2-CB 4.48Å; Y80-D149 WeakPolarHBondContact OH-CB 3.42Å; Y80-D149 PolarHBondContact OH-OD2 2.8Å; Y80-F151 AromaticContact CD2-CE1 3.56Å; Y80-F151 HydrophobicContact CD2-CE1 3.56Å; Y80-F151 AromaticContact CD2-CZ 3.89Å; Y80-F151 HydrophobicContact CD2-CZ 3.89Å; Y80-F151 HydrophobicContact CE2-CD1 4.21Å; Y80-F151 AromaticContact CE2-CE1 3.54Å; Y80-F151 HydrophobicContact CE2-CE1 3.54Å; Y80-F151 HydrophobicContact CE2-CZ 4.34Å; Y80-V164 HydrophobicContact CD1-CG1 4.41Å; Y80-V164 HydrophobicContact CD2-CG2 4.3Å; Y80-V164 HydrophobicContact CE1-CG1 3.78Å; Y80-V164 HydrophobicContact CE1-CG2 4.22Å; Y80-V164 HydrophobicContact CE2-CG2 3.86Å
81	H	92.2	Very high	90.2	Very high	12 Å²	12	44.6 Å²	44.6	6%	0.056	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	120.4	-179.8	-173	67.9	0	0	0	111.2	G73 D74 L75 C97 W98 I100 L283	G73-H81 PolarHBondContact O-CE1 3.45Å; G73-H81 VanDerWaalsContact O-CE1 3.29Å; D74-H81 WeakPolarHBondContact O-CA 3.11Å; L75-H81 HydrophobicContact CD1-CB 4.35Å; H81-C97 CarbonylContact O-C 3.59Å; H81-C97 WeakPolarHBondContact O-CA 3.39Å; H81-W98 HydrophobicContact CB-CB 4.39Å; H81-W98 PolarHBondContact N-O 2.98Å; H81-W98 PolarHBondContact O-N 2.82Å; H81-I100 HydrophobicContact CB-CD1 4.45Å; H81-L283 WeakPolarHBondContact NE2-CD1 3.45Å
82	V	92.8	Very high	90.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	126	-174.4	-178.2	0	0	0	0	111.4	V70 G73 D74 F76 W95 M108	V70-V82 HydrophobicContact CG1-CG1 4.06Å; V70-V82 HydrophobicContact CG1-CG2 4.05Å; G73-V82 PolarHBondContact N-O 3.21Å; D74-V82 HydrophobicContact CB-CG2 4.1Å; D74-V82 PolarHBondContact O-N 3.15Å; F76-V82 HydrophobicContact CD2-CG2 3.78Å; F76-V82 HydrophobicContact CE2-CG2 3.8Å; V82-W95 HydrophobicContact CG1-CB 4.38Å; V82-W95 HydrophobicContact CG1-CD2 4.17Å; V82-W95 HydrophobicContact CG1-CE3 3.47Å; V82-W95 VanDerWaalsContact CG1-CE3 3.47Å; V82-W95 HydrophobicContact CG1-CZ3 4.12Å; V82-M108 HydrophobicContact CG2-CE 4.12Å
83	I	88.6	Confident	91	Very high	9 Å²	9	39 Å²	39	5%	0.046	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	-50.9	-177.9	-63.6	159.6	0	0	0	111.7	I72 L96 W98 F105 A232 A235 Q239	I72-I83 WeakPolarHBondContact CG2-O 3.47Å; I83-L96 HydrophobicContact CB-CD2 4.49Å; I83-L96 HydrophobicContact CB-CG 4.48Å; I83-L96 HydrophobicContact CD1-CG 4.37Å; I83-L96 HydrophobicContact CG2-CD2 4.39Å; I83-L96 PolarHBondContact N-O 3.41Å; I83-W98 HydrophobicContact CD1-CB 3.84Å; I83-F105 HydrophobicContact CD1-CD1 3.66Å; I83-F105 HydrophobicContact CD1-CE1 3.41Å; I83-F105 VanDerWaalsContact CD1-CE1 3.41Å; I83-A232 HydrophobicContact CD1-CB 4.4Å; I83-A232 HydrophobicContact CG2-CB 4.25Å; I83-A235 HydrophobicContact CG2-CB 4.12Å; I83-Q239 PolarHBondContact O-NE2 3.45Å; I83-Q239 VanDerWaalsContact O-NE2 3.07Å
84	R	88.6	Confident	91.5	Very high	44 Å²	44	40.4 Å²	40.4	17%	0.166	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	161.1	-179.9	60.2	171.6	-83.7	166.6	-10	110.7	W95 L96 A235	R84-W95 CarbonylContact O-C 3.49Å; R84-L96 HydrophobicContact CG-CB 3.59Å; R84-L96 HydrophobicContact CG-CD2 3.73Å; R84-L96 HydrophobicContact CG-CG 4.28Å; R84-L96 PolarHBondContact N-O 3.44Å; R84-L96 PolarHBondContact O-N 3.04Å; R84-A235 HydrophobicContact CB-CB 4.07Å; R84-A235 HydrophobicContact CG-CB 4.37Å
85	K	90.4	Very high	91.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	144.5	167.5	-176.6	173.9	178.2	-175.5	0	109.9	E57 W95 S249	E57-K85 IonicContact OE1-NZ 2.81Å; E57-K85 PolarHBondContact OE1-NZ 3.26Å; E57-K85 IonicContact OE2-NZ 3.17Å; E57-K85 PolarHBondContact OE2-NZ 3.35Å; K85-W95 HydrophobicContact CB-CD2 4.14Å; K85-W95 HydrophobicContact CB-CE3 3.7Å; K85-W95 HydrophobicContact CB-CH2 3.84Å; K85-W95 HydrophobicContact CB-CZ2 4.23Å; K85-W95 HydrophobicContact CB-CZ3 3.57Å; K85-W95 HydrophobicContact CD-CH2 4.03Å; K85-W95 HydrophobicContact CD-CZ2 3.95Å; K85-W95 HydrophobicContact CG-CD2 4.4Å; K85-W95 HydrophobicContact CG-CE3 4.44Å; K85-W95 HydrophobicContact CG-CH2 4.25Å; K85-W95 HydrophobicContact CG-CZ2 4.19Å; K85-W95 HydrophobicContact CG-CZ3 4.4Å; K85-S249 WeakPolarHBondContact CB-O 3.39Å; K85-S249 WeakPolarHBondContact CG-O 3.29Å
86	L	89.9	Confident	92	Very high	49 Å²	49	34.3 Å²	34.3	26%	0.257	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	-33.8	178.5	-70.1	176.1	0	0	0	111.5	V94 L96 A107 M231	L86-V94 HydrophobicContact CB-CG1 4.3Å; L86-V94 HydrophobicContact CD1-CG1 4.41Å; L86-V94 PolarHBondContact N-O 2.9Å; L86-L96 HydrophobicContact CD1-CB 3.96Å; L86-L96 HydrophobicContact CD1-CD1 4.45Å; L86-L96 HydrophobicContact CD2-CB 3.96Å; L86-L96 HydrophobicContact CG-CB 3.84Å; L86-A107 HydrophobicContact CD1-CB 4.04Å; L86-M231 HydrophobicContact CD2-SD 3.81Å
87	G	88.2	Confident	92	Very high	20 Å²	20	33.4 Å²	33.4	21%	0.206	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.6	178.9	178.3	0	0	0	0	0	111.9	V94	G87-V94 PolarHBondContact N-O 3.16Å; G87-V94 PolarHBondContact O-N 2.88Å
88	W	89.6	Confident	92	Very high	86 Å²	86	29.3 Å²	29.3	33%	0.326	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	162.9	174.6	65.5	-80.5	0	0	0	109.2	E55 Q56 E57 T93	E55-W88 HydrophobicContact CB-CZ2 4.45Å; E55-W88 PolarHBondContact O-NE1 2.95Å; Q56-W88 WeakPolarHBondContact O-CZ2 3.39Å; E57-W88 HydrophobicContact CB-CD2 3.66Å; E57-W88 HydrophobicContact CB-CE3 3.38Å; E57-W88 HydrophobicContact CB-CG 4.24Å; E57-W88 HydrophobicContact CB-CH2 4.29Å; E57-W88 HydrophobicContact CB-CZ3 3.72Å; E57-W88 VanDerWaalsContact N-CE2 3.31Å; W88-T93 HydrophobicContact CB-CG2 4.06Å
89	G	86.1	Confident	92.2	Very high	28 Å²	28	26.5 Å²	26.5	29%	0.289	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	173.7	169.9	0	0	0	0	0	108.7	Y67 F91 S92	Y67-G89 PolarHBondContact OH-O 3.16Å; G89-F91 PolarHBondContact O-N 3.46Å; G89-S92 PolarHBondContact N-O 2.86Å; G89-S92 PolarHBondContact O-N 3.02Å; G89-S92 VanDerWaalsContact O-N 3.07Å
90	H	86.3	Confident	92	Very high	96 Å²	96	26.1 Å²	26.1	44%	0.444	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-27.8	-171.8	-180	-103.1	0	0	0	115	Y67 K112 Y117	Y67-H90 PolarHBondContact OH-O 3.08Å; H90-K112 WeakPolarHBondContact O-CD 3.4Å; H90-K112 WeakPolarHBondContact O-CE 3.42Å; H90-K112 PolarHBondContact O-NZ 2.8Å; H90-Y117 PolarHBondContact CE1-OH 3.47Å; H90-Y117 VanDerWaalsContact CE1-OH 3.27Å
91	F	91	Very high	91.8	Very high	114 Å²	114	32.5 Å²	32.5	50%	0.5	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-19.4	-174.7	-48.6	-62.6	0	0	0	114.7	G89 K112 Y117	G89-F91 PolarHBondContact O-N 3.46Å; F91-K112 PolarHBondContact O-N 3.38Å; F91-Y117 AromaticContact CD1-CD1 3.7Å; F91-Y117 HydrophobicContact CD1-CD1 3.7Å; F91-Y117 AromaticContact CD1-CE1 3.31Å; F91-Y117 HydrophobicContact CD1-CE1 3.31Å; F91-Y117 HydrophobicContact CE1-CD1 4.33Å; F91-Y117 AromaticContact CE1-CE1 3.67Å; F91-Y117 HydrophobicContact CE1-CE1 3.67Å
92	S	94.4	Very high	91.7	Very high	13 Å²	13	36 Å²	36	9%	0.091	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	163.2	-169.3	65.9	0	0	0	0	113.7	G89 K109 V110	G89-S92 PolarHBondContact N-O 2.86Å; G89-S92 PolarHBondContact O-N 3.02Å; G89-S92 VanDerWaalsContact O-N 3.07Å; S92-K109 WeakPolarHBondContact OG-CE 3.42Å; S92-V110 VanDerWaalsContact CA-O 3.23Å; S92-V110 WeakPolarHBondContact CA-O 3.39Å; S92-V110 VanDerWaalsContact CB-O 3.28Å; S92-V110 WeakPolarHBondContact CB-O 3.08Å
93	T	94.6	Very high	91.5	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	148.3	166.5	57.2	0	0	0	0	109.9	Y67 W88 W95 K109 V110	Y67-T93 HydrophobicContact CD1-CG2 4.02Å; Y67-T93 HydrophobicContact CE1-CG2 4.2Å; W88-T93 HydrophobicContact CB-CG2 4.06Å; T93-W95 PolarHBondContact OG1-NE1 3.36Å; T93-K109 CarbonylContact O-C 3.58Å; T93-K109 WeakPolarHBondContact O-CA 3.39Å; T93-V110 PolarHBondContact N-O 3.34Å; T93-V110 PolarHBondContact O-N 3.32Å
94	V	95.4	Very high	91.7	Very high	41 Å²	41	42 Å²	42	25%	0.248	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	131.3	-177.2	-172.8	0	0	0	0	110.1	L86 G87 A107 M108 K109	L86-V94 HydrophobicContact CB-CG1 4.3Å; L86-V94 HydrophobicContact CD1-CG1 4.41Å; L86-V94 PolarHBondContact N-O 2.9Å; G87-V94 PolarHBondContact N-O 3.16Å; G87-V94 PolarHBondContact O-N 2.88Å; V94-A107 HydrophobicContact CG1-CB 4.25Å; V94-M108 WeakPolarHBondContact CA-O 3.23Å; V94-K109 HydrophobicContact CG2-CB 4.31Å; V94-K109 HydrophobicContact CG2-CG 4.27Å
95	W	95.7	Very high	92	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	134.7	-169.5	-63.1	83.5	0	0	0	112.1	V70 I72 V82 R84 K85 T93 C97 A107 M108	V70-W95 HydrophobicContact CB-CD2 4.16Å; V70-W95 HydrophobicContact CB-CH2 4.1Å; V70-W95 HydrophobicContact CB-CZ2 3.55Å; V70-W95 HydrophobicContact CG1-CD2 3.59Å; V70-W95 HydrophobicContact CG1-CE3 3.88Å; V70-W95 HydrophobicContact CG1-CG 4.1Å; V70-W95 HydrophobicContact CG1-CH2 4.1Å; V70-W95 HydrophobicContact CG1-CZ2 3.84Å; V70-W95 HydrophobicContact CG1-CZ3 4.1Å; V70-W95 HydrophobicContact CG2-CZ2 4.41Å; I72-W95 HydrophobicContact CG1-CZ3 4.44Å; V82-W95 HydrophobicContact CG1-CB 4.38Å; V82-W95 HydrophobicContact CG1-CD2 4.17Å; V82-W95 HydrophobicContact CG1-CE3 3.47Å; V82-W95 VanDerWaalsContact CG1-CE3 3.47Å; V82-W95 HydrophobicContact CG1-CZ3 4.12Å; R84-W95 CarbonylContact O-C 3.49Å; K85-W95 HydrophobicContact CB-CD2 4.14Å; K85-W95 HydrophobicContact CB-CE3 3.7Å; K85-W95 HydrophobicContact CB-CH2 3.84Å; K85-W95 HydrophobicContact CB-CZ2 4.23Å; K85-W95 HydrophobicContact CB-CZ3 3.57Å; K85-W95 HydrophobicContact CD-CH2 4.03Å; K85-W95 HydrophobicContact CD-CZ2 3.95Å; K85-W95 HydrophobicContact CG-CD2 4.4Å; K85-W95 HydrophobicContact CG-CE3 4.44Å; K85-W95 HydrophobicContact CG-CH2 4.25Å; K85-W95 HydrophobicContact CG-CZ2 4.19Å; K85-W95 HydrophobicContact CG-CZ3 4.4Å; T93-W95 PolarHBondContact OG1-NE1 3.36Å; W95-C97 PolarHBondContact O-N 3.05Å; W95-A107 CarbonylContact O-C 3.53Å; W95-A107 WeakPolarHBondContact O-CA 3.48Å; W95-M108 HydrophobicContact CB-CE 4.48Å; W95-M108 PolarHBondContact N-O 3.24Å; W95-M108 PolarHBondContact O-N 2.88Å
96	L	95.6	Very high	92.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	123.3	167.5	-176.5	64.5	0	0	0	108.4	I83 R84 L86 F105 V167 V228 M231 A232	I83-L96 HydrophobicContact CB-CD2 4.49Å; I83-L96 HydrophobicContact CB-CG 4.48Å; I83-L96 HydrophobicContact CD1-CG 4.37Å; I83-L96 HydrophobicContact CG2-CD2 4.39Å; I83-L96 PolarHBondContact N-O 3.41Å; R84-L96 HydrophobicContact CG-CB 3.59Å; R84-L96 HydrophobicContact CG-CD2 3.73Å; R84-L96 HydrophobicContact CG-CG 4.28Å; R84-L96 PolarHBondContact N-O 3.44Å; R84-L96 PolarHBondContact O-N 3.04Å; L86-L96 HydrophobicContact CD1-CB 3.96Å; L86-L96 HydrophobicContact CD1-CD1 4.45Å; L86-L96 HydrophobicContact CD2-CB 3.96Å; L86-L96 HydrophobicContact CG-CB 3.84Å; L96-F105 HydrophobicContact CD1-CB 4.09Å; L96-F105 HydrophobicContact CD1-CD1 4.25Å; L96-F105 HydrophobicContact CG-CD1 4.39Å; L96-V167 HydrophobicContact CD1-CG1 4.21Å; L96-V167 HydrophobicContact CD1-CG2 3.64Å; L96-V228 HydrophobicContact CD1-CG1 4.06Å; L96-M231 HydrophobicContact CD2-SD 4.17Å; L96-A232 HydrophobicContact CD2-CB 4.21Å
97	C	95.9	Very high	92.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	151.7	178.5	-57.7	0	0	0	0	111	H81 W95 F105 V106	H81-C97 CarbonylContact O-C 3.59Å; H81-C97 WeakPolarHBondContact O-CA 3.39Å; W95-C97 PolarHBondContact O-N 3.05Å; C97-F105 WeakPolarHBondContact O-CA 3.28Å; C97-V106 HydrophobicContact CB-CG2 3.88Å; C97-V106 PolarHBondContact N-O 3.03Å; C97-V106 PolarHBondContact O-N 3.37Å
98	W	94	Very high	93.2	Very high	7 Å²	7	37.6 Å²	37.6	3%	0.027	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	121.4	166.2	176.8	-104.5	0	0	0	109.4	H81 I83 I100 K103 F105 I290 L293	H81-W98 HydrophobicContact CB-CB 4.39Å; H81-W98 PolarHBondContact N-O 2.98Å; H81-W98 PolarHBondContact O-N 2.82Å; I83-W98 HydrophobicContact CD1-CB 3.84Å; W98-I100 PolarHBondContact O-N 2.86Å; W98-K103 HydrophobicContact CH2-CB 4.09Å; W98-K103 WeakPolarHBondContact CH2-O 3.32Å; W98-K103 VanDerWaalsContact CZ2-CA 3.5Å; W98-K103 HydrophobicContact CZ2-CB 3.82Å; W98-K103 HydrophobicContact CZ2-CD 3.92Å; W98-F105 AromaticContact CE3-CD1 3.9Å; W98-F105 HydrophobicContact CE3-CD1 3.9Å; W98-F105 HydrophobicContact CE3-CD2 4.14Å; W98-F105 AromaticContact CE3-CE1 3.72Å; W98-F105 HydrophobicContact CE3-CE1 3.72Å; W98-F105 AromaticContact CE3-CE2 3.97Å; W98-F105 HydrophobicContact CE3-CE2 3.97Å; W98-F105 HydrophobicContact CE3-CG 4.11Å; W98-F105 AromaticContact CE3-CZ 3.76Å; W98-F105 HydrophobicContact CE3-CZ 3.76Å; W98-F105 HydrophobicContact CZ3-CD2 4.01Å; W98-F105 HydrophobicContact CZ3-CE1 4.31Å; W98-F105 AromaticContact CZ3-CE2 3.72Å; W98-F105 HydrophobicContact CZ3-CE2 3.72Å; W98-F105 HydrophobicContact CZ3-CG 4.42Å; W98-F105 AromaticContact CZ3-CZ 3.89Å; W98-F105 HydrophobicContact CZ3-CZ 3.89Å; W98-I290 HydrophobicContact CH2-CG1 4.28Å; W98-I290 HydrophobicContact CZ2-CG1 4.38Å; W98-I290 HydrophobicContact CZ3-CG1 4.48Å; W98-L293 HydrophobicContact CH2-CD1 4.19Å; W98-L293 HydrophobicContact CZ2-CD1 4.42Å
99	D	95.3	Very high	93.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	109.4	171.2	-175.3	-19.6	0	0	0	109.7	R79 Y80 Q101 V102 K103 N104 V106	R79-D99 VanDerWaalsContact CG-OD1 3.23Å; R79-D99 WeakPolarHBondContact CG-OD1 3.36Å; R79-D99 IonicContact CZ-OD1 3.15Å; R79-D99 IonicContact CZ-OD2 3.88Å; R79-D99 IonicContact NE-OD1 3.14Å; R79-D99 PolarHBondContact NE-OD1 2.91Å; R79-D99 IonicContact NE-OD2 3.18Å; R79-D99 PolarHBondContact NE-OD2 3.18Å; R79-D99 IonicContact NH2-OD1 3.82Å; R79-D99 IonicContact NH2-OD2 2.68Å; R79-D99 PolarHBondContact NH2-OD2 2.9Å; Y80-D99 HydrophobicContact CD1-CB 4.09Å; Y80-D99 HydrophobicContact CE1-CB 3.92Å; D99-Q101 PolarHBondContact O-N 3.37Å; D99-Q101 WeakPolarHBondContact OD1-CB 3.28Å; D99-Q101 PolarHBondContact OD1-N 2.87Å; D99-V102 HydrophobicContact CB-CG2 3.82Å; D99-V102 PolarHBondContact OD1-N 2.9Å; D99-V102 VanDerWaalsContact OD2-CG2 3.31Å; D99-V102 WeakPolarHBondContact OD2-CG2 3.43Å; D99-K103 VanDerWaalsContact O-CA 3.31Å; D99-K103 WeakPolarHBondContact O-CA 3.31Å; D99-K103 PolarHBondContact O-N 3.38Å; D99-N104 WeakPolarHBondContact CB-O 3.4Å; D99-N104 PolarHBondContact N-O 3.27Å; D99-N104 PolarHBondContact O-N 3.46Å; D99-V106 HydrophobicContact CB-CG1 4.18Å; D99-V106 HydrophobicContact CB-CG2 4.44Å
100	I	91.3	Very high	94.1	Very high	29 Å²	29	33.6 Å²	33.6	15%	0.149	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-25.5	-175	-60.1	166.3	0	0	0	112.1	L75 R79 H81 W98 K103	L75-I100 HydrophobicContact CD1-CD1 3.56Å; R79-I100 VanDerWaalsContact O-CG1 3.31Å; R79-I100 WeakPolarHBondContact O-CG1 3.45Å; R79-I100 PolarHBondContact O-N 3.34Å; H81-I100 HydrophobicContact CB-CD1 4.45Å; W98-I100 PolarHBondContact O-N 2.86Å; I100-K103 WeakPolarHBondContact O-CD 3.29Å; I100-K103 WeakPolarHBondContact O-CE 3.27Å; I100-K103 PolarHBondContact O-NZ 3.2Å
101	Q	91.1	Very high	94.6	Very high	133 Å²	133	29.4 Å²	29.4	62%	0.621	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-52.2	-176.5	-67.9	-178.9	13.7	0	0	111.2	R79 D99	R79-Q101 HydrophobicContact CG-CB 4.47Å; R79-Q101 HydrophobicContact CG-CG 3.98Å; D99-Q101 PolarHBondContact O-N 3.37Å; D99-Q101 WeakPolarHBondContact OD1-CB 3.28Å; D99-Q101 PolarHBondContact OD1-N 2.87Å
102	V	90.9	Very high	94.9	Very high	86 Å²	86	24.2 Å²	24.2	52%	0.521	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-5.4	-177.2	-51.7	0	0	0	0	113.3	D99 N104	D99-V102 HydrophobicContact CB-CG2 3.82Å; D99-V102 PolarHBondContact OD1-N 2.9Å; D99-V102 VanDerWaalsContact OD2-CG2 3.31Å; D99-V102 WeakPolarHBondContact OD2-CG2 3.43Å; V102-N104 HydrophobicContact CG2-CB 3.98Å
103	K	89.4	Confident	95	Very high	69 Å²	69	24.3 Å²	24.3	30%	0.3	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	46.3	179.8	-52.7	-65.7	178.2	175	0	112.5	W98 D99 I100 E289	W98-K103 HydrophobicContact CH2-CB 4.09Å; W98-K103 WeakPolarHBondContact CH2-O 3.32Å; W98-K103 VanDerWaalsContact CZ2-CA 3.5Å; W98-K103 HydrophobicContact CZ2-CB 3.82Å; W98-K103 HydrophobicContact CZ2-CD 3.92Å; D99-K103 VanDerWaalsContact O-CA 3.31Å; D99-K103 WeakPolarHBondContact O-CA 3.31Å; D99-K103 PolarHBondContact O-N 3.38Å; I100-K103 WeakPolarHBondContact O-CD 3.29Å; I100-K103 WeakPolarHBondContact O-CE 3.27Å; I100-K103 PolarHBondContact O-NZ 3.2Å; K103-E289 WeakPolarHBondContact CE-OE1 3.29Å; K103-E289 IonicContact NZ-OE1 2.68Å; K103-E289 PolarHBondContact NZ-OE1 2.98Å; K103-E289 IonicContact NZ-OE2 3.38Å; K103-E289 PolarHBondContact NZ-OE2 3.45Å
104	N	91.8	Very high	95.1	Very high	65 Å²	65	25.1 Å²	25.1	35%	0.348	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	160.8	177.8	-157.8	10.9	0	0	0	112.1	D99 V102	D99-N104 WeakPolarHBondContact CB-O 3.4Å; D99-N104 PolarHBondContact N-O 3.27Å; D99-N104 PolarHBondContact O-N 3.46Å; V102-N104 HydrophobicContact CG2-CB 3.98Å
105	F	95.1	Very high	95	Very high	10 Å²	10	30 Å²	30	4%	0.044	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	143.5	173	-64.6	-80.1	0	0	0	111.2	I83 L96 C97 W98 V167 V228 R229 A232 I290	I83-F105 HydrophobicContact CD1-CD1 3.66Å; I83-F105 HydrophobicContact CD1-CE1 3.41Å; I83-F105 VanDerWaalsContact CD1-CE1 3.41Å; L96-F105 HydrophobicContact CD1-CB 4.09Å; L96-F105 HydrophobicContact CD1-CD1 4.25Å; L96-F105 HydrophobicContact CG-CD1 4.39Å; C97-F105 WeakPolarHBondContact O-CA 3.28Å; W98-F105 AromaticContact CE3-CD1 3.9Å; W98-F105 HydrophobicContact CE3-CD1 3.9Å; W98-F105 HydrophobicContact CE3-CD2 4.14Å; W98-F105 AromaticContact CE3-CE1 3.72Å; W98-F105 HydrophobicContact CE3-CE1 3.72Å; W98-F105 AromaticContact CE3-CE2 3.97Å; W98-F105 HydrophobicContact CE3-CE2 3.97Å; W98-F105 HydrophobicContact CE3-CG 4.11Å; W98-F105 AromaticContact CE3-CZ 3.76Å; W98-F105 HydrophobicContact CE3-CZ 3.76Å; W98-F105 HydrophobicContact CZ3-CD2 4.01Å; W98-F105 HydrophobicContact CZ3-CE1 4.31Å; W98-F105 AromaticContact CZ3-CE2 3.72Å; W98-F105 HydrophobicContact CZ3-CE2 3.72Å; W98-F105 HydrophobicContact CZ3-CG 4.42Å; W98-F105 AromaticContact CZ3-CZ 3.89Å; W98-F105 HydrophobicContact CZ3-CZ 3.89Å; F105-V167 HydrophobicContact CB-CG2 4.04Å; F105-V228 HydrophobicContact CB-CG1 3.52Å; F105-V228 HydrophobicContact CD1-CG1 4.34Å; F105-V228 HydrophobicContact CD2-CG1 3.82Å; F105-V228 HydrophobicContact CG-CG1 3.63Å; F105-R229 HydrophobicContact CD2-CG 4.45Å; F105-R229 HydrophobicContact CE2-CB 4.5Å; F105-R229 HydrophobicContact CE2-CG 3.73Å; F105-A232 HydrophobicContact CD1-CB 4.24Å; F105-A232 HydrophobicContact CE1-CB 3.37Å; F105-A232 HydrophobicContact CZ-CB 3.59Å; F105-I290 HydrophobicContact CZ-CD1 4.48Å
106	V	97.3	Very high	94.9	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.018	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	155.2	179.7	-61.2	0	0	0	0	110.5	Y80 C97 D99 I148 V164 F165 V167	Y80-V106 HydrophobicContact CD1-CG2 3.7Å; Y80-V106 HydrophobicContact CE1-CG2 3.92Å; C97-V106 HydrophobicContact CB-CG2 3.88Å; C97-V106 PolarHBondContact N-O 3.03Å; C97-V106 PolarHBondContact O-N 3.37Å; D99-V106 HydrophobicContact CB-CG1 4.18Å; D99-V106 HydrophobicContact CB-CG2 4.44Å; V106-I148 HydrophobicContact CG1-CD1 4.01Å; V106-V164 HydrophobicContact CB-CG1 3.62Å; V106-V164 HydrophobicContact CG1-CG1 4.05Å; V106-V164 HydrophobicContact CG2-CG1 3.63Å; V106-F165 WeakPolarHBondContact CA-O 3.46Å; V106-F165 WeakPolarHBondContact CB-O 3.4Å; V106-V167 VanDerWaalsContact C-CG2 3.49Å
107	A	97.9	Very high	94.8	Very high	8 Å²	8	36.6 Å²	36.6	7%	0.066	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	122.2	170.3	0	0	0	0	0	109.4	L86 V94 W95 V164 F165	L86-A107 HydrophobicContact CD1-CB 4.04Å; V94-A107 HydrophobicContact CG1-CB 4.25Å; W95-A107 CarbonylContact O-C 3.53Å; W95-A107 WeakPolarHBondContact O-CA 3.48Å; A107-V164 CarbonylContact O-C 3.58Å; A107-V164 WeakPolarHBondContact O-CA 3.48Å; A107-F165 PolarHBondContact N-O 3.05Å; A107-F165 PolarHBondContact O-N 3.32Å
108	M	97.9	Very high	94.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	114.3	179.4	-174.9	-178	68.9	0	0	110	F76 V82 V94 W95 V110 F151 M163 V164	F76-M108 HydrophobicContact CB-SD 4.03Å; F76-M108 HydrophobicContact CD2-CE 3.54Å; F76-M108 HydrophobicContact CD2-SD 4.15Å; F76-M108 HydrophobicContact CE2-CE 3.91Å; F76-M108 HydrophobicContact CG-CE 4.11Å; F76-M108 HydrophobicContact CG-SD 4.17Å; V82-M108 HydrophobicContact CG2-CE 4.12Å; V94-M108 WeakPolarHBondContact CA-O 3.23Å; W95-M108 HydrophobicContact CB-CE 4.48Å; W95-M108 PolarHBondContact N-O 3.24Å; W95-M108 PolarHBondContact O-N 2.88Å; M108-V110 HydrophobicContact CE-CG2 3.93Å; M108-V110 HydrophobicContact CG-CG2 4.39Å; M108-F151 HydrophobicContact SD-CZ 3.83Å; M108-M163 CarbonylContact C-O 3.47Å; M108-M163 WeakPolarHBondContact CA-O 3.23Å; M108-V164 HydrophobicContact CG-CG2 4.31Å
109	K	97.6	Very high	94.7	Very high	29 Å²	29	42.2 Å²	42.2	13%	0.126	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	123.7	174.6	-178.4	174.8	171.3	-172.5	0	109.1	S92 T93 V94 E124 C162 M163 F165 D537	S92-K109 WeakPolarHBondContact OG-CE 3.42Å; T93-K109 CarbonylContact O-C 3.58Å; T93-K109 WeakPolarHBondContact O-CA 3.39Å; V94-K109 HydrophobicContact CG2-CB 4.31Å; V94-K109 HydrophobicContact CG2-CG 4.27Å; K109-E124 IonicContact NZ-OE1 2.98Å; K109-E124 PolarHBondContact NZ-OE1 3.08Å; K109-E124 IonicContact NZ-OE2 2.86Å; K109-E124 PolarHBondContact NZ-OE2 3.3Å; K109-C162 CarbonylContact O-C 3.46Å; K109-C162 VanDerWaalsContact O-CA 3.29Å; K109-C162 WeakPolarHBondContact O-CA 3.32Å; K109-M163 HydrophobicContact CB-CB 4.45Å; K109-M163 HydrophobicContact CD-CE 3.7Å; K109-M163 HydrophobicContact CG-CE 4.14Å; K109-M163 PolarHBondContact N-O 3.1Å; K109-M163 PolarHBondContact O-N 3.42Å; K109-F165 HydrophobicContact CB-CD2 4.44Å; K109-F165 HydrophobicContact CB-CE2 3.98Å; K109-F165 HydrophobicContact CD-CE2 4.23Å; K109-D537 IonicContact NZ-OD1 3.86Å
110	V	97.5	Very high	94.7	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.012	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	113.4	178.1	-173.2	0	0	0	0	109.1	H68 V70 S92 T93 M108 I153 H160	H68-V110 HydrophobicContact CB-CG1 3.81Å; V70-V110 HydrophobicContact CG2-CG2 4.2Å; S92-V110 VanDerWaalsContact CA-O 3.23Å; S92-V110 WeakPolarHBondContact CA-O 3.39Å; S92-V110 VanDerWaalsContact CB-O 3.28Å; S92-V110 WeakPolarHBondContact CB-O 3.08Å; T93-V110 PolarHBondContact N-O 3.34Å; T93-V110 PolarHBondContact O-N 3.32Å; M108-V110 HydrophobicContact CE-CG2 3.93Å; M108-V110 HydrophobicContact CG-CG2 4.39Å; V110-I153 HydrophobicContact CG1-CD1 3.98Å; V110-H160 HydrophobicContact CG1-CB 4.13Å
111	V	97.4	Very high	94.9	Very high	7 Å²	7	44.2 Å²	44.2	4%	0.042	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	149.5	-174.4	-174.1	0	0	0	0	111.3	A121 H160 V161 M163	V111-A121 HydrophobicContact CB-CB 4.39Å; V111-A121 HydrophobicContact CG1-CB 4.14Å; V111-A121 HydrophobicContact CG2-CB 3.97Å; V111-H160 WeakPolarHBondContact O-CB 3.42Å; V111-H160 PolarHBondContact O-ND1 2.95Å; V111-V161 PolarHBondContact N-O 2.96Å; V111-M163 HydrophobicContact CG2-CE 3.65Å
112	K	96.4	Very high	95.2	Very high	5 Å²	5	40.6 Å²	40.6	2%	0.022	21%	0.21	C	C	.	.			trans	-54.9	151.7	169.1	-73.1	-173.4	174.3	174.6	0	111.4	D61 G66 Y67 H90 F91 Y117	D61-K112 IonicContact OD1-NZ 2.72Å; D61-K112 IonicContact OD2-NZ 2.9Å; D61-K112 PolarHBondContact OD2-NZ 3.42Å; G66-K112 VanDerWaalsContact O-CA 3.3Å; G66-K112 WeakPolarHBondContact O-CA 3.09Å; Y67-K112 HydrophobicContact CD1-CD 4.27Å; Y67-K112 HydrophobicContact CD1-CG 3.63Å; Y67-K112 HydrophobicContact CE1-CD 4.14Å; Y67-K112 HydrophobicContact CE1-CG 3.85Å; Y67-K112 HydrophobicContact CG-CG 4.18Å; Y67-K112 WeakPolarHBondContact OH-CE 3.35Å; H90-K112 WeakPolarHBondContact O-CD 3.4Å; H90-K112 WeakPolarHBondContact O-CE 3.42Å; H90-K112 PolarHBondContact O-NZ 2.8Å; F91-K112 PolarHBondContact O-N 3.38Å; K112-Y117 HydrophobicContact CB-CD2 3.38Å; K112-Y117 HydrophobicContact CB-CE2 3.93Å; K112-Y117 HydrophobicContact CB-CG 4.07Å; K112-Y117 HydrophobicContact CD-CD2 4.04Å; K112-Y117 HydrophobicContact CD-CE2 3.66Å; K112-Y117 HydrophobicContact CG-CD2 4.31Å; K112-Y117 HydrophobicContact CG-CE2 4.42Å
113	S	96.8	Very high	95.4	Very high	16 Å²	16	38.6 Å²	38.6	11%	0.112	20%	0.196	C	C	.	.			trans	-90.2	-5.1	-169.8	49.9	0	0	0	0	115.5	G65 G66 N157 I159 H160	G65-S113 VanDerWaalsContact C-OG 3.25Å; G65-S113 WeakPolarHBondContact CA-OG 3.37Å; G65-S113 PolarHBondContact N-OG 3.27Å; G65-S113 PolarHBondContact O-N 3.42Å; G66-S113 PolarHBondContact O-N 3.36Å; G66-S113 PolarHBondContact O-OG 2.92Å; S113-N157 PolarHBondContact OG-O 2.89Å; S113-I159 WeakPolarHBondContact CB-O 3.26Å; S113-H160 VanDerWaalsContact CB-CE1 3.42Å; S113-H160 WeakPolarHBondContact CB-CE1 3.14Å; S113-H160 PolarHBondContact OG-CE1 3.38Å
114	A	96	Very high	95.7	Very high	18 Å²	18	35.9 Å²	35.9	15%	0.149	18%	0.184	C	C	.	.	S	Bend	trans	-62	152.2	177.2	0	0	0	0	0	110.6	G65 H116 Y117 T118	G65-A114 VanDerWaalsContact O-CB 3.3Å; G65-A114 WeakPolarHBondContact O-CB 3.43Å; G65-A114 PolarHBondContact O-N 2.95Å; A114-H116 VanDerWaalsContact CB-CE1 3.41Å; A114-H116 WeakPolarHBondContact CB-CE1 3.37Å; A114-H116 WeakPolarHBondContact CB-ND1 3.22Å; A114-H116 PolarHBondContact O-N 3.28Å; A114-Y117 HydrophobicContact CB-CD2 3.67Å; A114-Y117 HydrophobicContact CB-CE2 4.1Å; A114-Y117 PolarHBondContact O-N 3.23Å; A114-T118 PolarHBondContact O-N 3.03Å; A114-T118 PolarHBondContact O-OG1 3.36Å
115	Q	94.8	Very high	96	Very high	142 Å²	142	33.1 Å²	33.1	66%	0.664	17%	0.17	S	C	*	.	H	α-helix	trans	-59.6	-45.5	-171.4	-178.3	175.8	-7.9	0	0	112.1	Y117 T118 E119	Q115-Y117 PolarHBondContact O-N 3.28Å; Q115-T118 WeakPolarHBondContact O-CB 3.35Å; Q115-T118 PolarHBondContact O-N 3.11Å; Q115-E119 HydrophobicContact CG-CG 4.41Å; Q115-E119 VanDerWaalsContact CG-OE1 3.27Å; Q115-E119 WeakPolarHBondContact CG-OE1 3.35Å; Q115-E119 PolarHBondContact NE2-OE1 2.73Å; Q115-E119 WeakPolarHBondContact O-CG 3.34Å; Q115-E119 PolarHBondContact O-N 3.3Å
116	H	92.6	Very high	96.2	Very high	100 Å²	100	38.3 Å²	38.3	46%	0.463	19%	0.192	S	C	.	.	H	α-helix	trans	-62.6	-42.7	-179.9	61.6	-67.2	0	0	0	112.2	A114 T118 E119 T120	A114-H116 VanDerWaalsContact CB-CE1 3.41Å; A114-H116 WeakPolarHBondContact CB-CE1 3.37Å; A114-H116 WeakPolarHBondContact CB-ND1 3.22Å; A114-H116 PolarHBondContact O-N 3.28Å; H116-T118 VanDerWaalsContact C-N 3.33Å; H116-T118 PolarHBondContact O-N 2.72Å; H116-E119 PolarHBondContact O-N 3.07Å; H116-T120 PolarHBondContact O-N 2.79Å; H116-T120 PolarHBondContact O-OG1 3.21Å; H116-T120 VanDerWaalsContact O-OG1 3.05Å
117	Y	93.8	Very high	96.2	Very high	40 Å²	40	38.2 Å²	38.2	16%	0.157	19%	0.191	C	C	.	.	H	α-helix	trans	-64.9	-37.9	175.3	-58.8	-44.9	0	0	0	112.6	H90 F91 K112 A114 Q115 A121	H90-Y117 PolarHBondContact CE1-OH 3.47Å; H90-Y117 VanDerWaalsContact CE1-OH 3.27Å; F91-Y117 AromaticContact CD1-CD1 3.7Å; F91-Y117 HydrophobicContact CD1-CD1 3.7Å; F91-Y117 AromaticContact CD1-CE1 3.31Å; F91-Y117 HydrophobicContact CD1-CE1 3.31Å; F91-Y117 HydrophobicContact CE1-CD1 4.33Å; F91-Y117 AromaticContact CE1-CE1 3.67Å; F91-Y117 HydrophobicContact CE1-CE1 3.67Å; K112-Y117 HydrophobicContact CB-CD2 3.38Å; K112-Y117 HydrophobicContact CB-CE2 3.93Å; K112-Y117 HydrophobicContact CB-CG 4.07Å; K112-Y117 HydrophobicContact CD-CD2 4.04Å; K112-Y117 HydrophobicContact CD-CE2 3.66Å; K112-Y117 HydrophobicContact CG-CD2 4.31Å; K112-Y117 HydrophobicContact CG-CE2 4.42Å; A114-Y117 HydrophobicContact CB-CD2 3.67Å; A114-Y117 HydrophobicContact CB-CE2 4.1Å; A114-Y117 PolarHBondContact O-N 3.23Å; Q115-Y117 PolarHBondContact O-N 3.28Å; Y117-A121 VanDerWaalsContact O-CB 3.31Å; Y117-A121 WeakPolarHBondContact O-CB 3.29Å; Y117-A121 PolarHBondContact O-N 3.41Å
118	T	94.8	Very high	96.2	Very high	25 Å²	25	37.9 Å²	37.9	15%	0.153	19%	0.189	C	C	.	.	H	α-helix	trans	-65.9	-43.5	177.4	-62.2	0	0	0	0	111.3	A114 Q115 H116 A121 L122 V161	A114-T118 PolarHBondContact O-N 3.03Å; A114-T118 PolarHBondContact O-OG1 3.36Å; Q115-T118 WeakPolarHBondContact O-CB 3.35Å; Q115-T118 PolarHBondContact O-N 3.11Å; H116-T118 VanDerWaalsContact C-N 3.33Å; H116-T118 PolarHBondContact O-N 2.72Å; T118-A121 PolarHBondContact O-N 3.13Å; T118-L122 HydrophobicContact CG2-CD1 4.3Å; T118-L122 VanDerWaalsContact O-CG 3.27Å; T118-L122 WeakPolarHBondContact O-CG 3.4Å; T118-L122 PolarHBondContact O-N 2.66Å; T118-V161 HydrophobicContact CG2-CG2 3.89Å
119	E	94	Very high	96.2	Very high	100 Å²	100	42.6 Å²	42.6	47%	0.467	21%	0.206	S	C	.	.	H	α-helix	trans	-64	-47.7	178.2	-73.5	174.2	-171.6	0	0	111.2	Q115 H116 A121 L122 D123	Q115-E119 HydrophobicContact CG-CG 4.41Å; Q115-E119 VanDerWaalsContact CG-OE1 3.27Å; Q115-E119 WeakPolarHBondContact CG-OE1 3.35Å; Q115-E119 PolarHBondContact NE2-OE1 2.73Å; Q115-E119 WeakPolarHBondContact O-CG 3.34Å; Q115-E119 PolarHBondContact O-N 3.3Å; H116-E119 PolarHBondContact O-N 3.07Å; E119-A121 VanDerWaalsContact C-N 3.35Å; E119-A121 PolarHBondContact O-N 3.49Å; E119-L122 PolarHBondContact O-N 3.24Å; E119-L122 VanDerWaalsContact O-N 3.16Å; E119-D123 PolarHBondContact O-N 3.44Å; E119-D123 VanDerWaalsContact O-N 3.08Å
120	T	94.1	Very high	96.2	Very high	69 Å²	69	42.1 Å²	42.1	42%	0.423	21%	0.207	S	C	.	.	H	α-helix	trans	-58.3	-44.6	174.9	-56.6	0	0	0	0	111.8	H116 L122 D123 E124	H116-T120 PolarHBondContact O-N 2.79Å; H116-T120 PolarHBondContact O-OG1 3.21Å; H116-T120 VanDerWaalsContact O-OG1 3.05Å; T120-L122 VanDerWaalsContact C-N 3.31Å; T120-L122 PolarHBondContact O-N 2.65Å; T120-D123 PolarHBondContact O-N 2.95Å; T120-D123 VanDerWaalsContact O-N 3.16Å; T120-E124 PolarHBondContact O-N 3.33Å
121	A	95.9	Very high	96.2	Very high	2 Å²	2	42 Å²	42	2%	0.017	21%	0.206	C	C	.	.	H	α-helix	trans	-63.8	-34.4	177.9	0	0	0	0	0	113	V111 Y117 T118 E119 E124 I125 V161 M163	V111-A121 HydrophobicContact CB-CB 4.39Å; V111-A121 HydrophobicContact CG1-CB 4.14Å; V111-A121 HydrophobicContact CG2-CB 3.97Å; Y117-A121 VanDerWaalsContact O-CB 3.31Å; Y117-A121 WeakPolarHBondContact O-CB 3.29Å; Y117-A121 PolarHBondContact O-N 3.41Å; T118-A121 PolarHBondContact O-N 3.13Å; E119-A121 VanDerWaalsContact C-N 3.35Å; E119-A121 PolarHBondContact O-N 3.49Å; A121-E124 PolarHBondContact O-N 3.09Å; A121-I125 VanDerWaalsContact O-CG1 3.29Å; A121-I125 WeakPolarHBondContact O-CG1 3.49Å; A121-I125 PolarHBondContact O-N 2.92Å; A121-V161 HydrophobicContact CB-CB 4.15Å; A121-V161 HydrophobicContact CB-CG1 4.11Å; A121-V161 HydrophobicContact CB-CG2 4.48Å; A121-M163 HydrophobicContact CB-CE 4.44Å
122	L	96.6	Very high	96.1	Very high	57 Å²	57	45.4 Å²	45.4	30%	0.298	22%	0.218	S	C	.	.	H	α-helix	trans	-70.2	-33.4	175.7	-70.4	172.7	0	0	0	112.1	T118 E119 T120 I125 K126	T118-L122 HydrophobicContact CG2-CD1 4.3Å; T118-L122 VanDerWaalsContact O-CG 3.27Å; T118-L122 WeakPolarHBondContact O-CG 3.4Å; T118-L122 PolarHBondContact O-N 2.66Å; E119-L122 PolarHBondContact O-N 3.24Å; E119-L122 VanDerWaalsContact O-N 3.16Å; T120-L122 VanDerWaalsContact C-N 3.31Å; T120-L122 PolarHBondContact O-N 2.65Å; L122-I125 HydrophobicContact CD2-CD1 4.5Å; L122-K126 WeakPolarHBondContact O-CG 3.49Å; L122-K126 PolarHBondContact O-N 3.5Å
123	D	95.4	Very high	96.1	Very high	44 Å²	44	50.4 Å²	50.4	24%	0.235	24%	0.242	C	C	.	.	H	α-helix	trans	-72.7	-38.6	172.9	-75.2	-22.9	0	0	0	111.6	E119 T120 I125 K126 L127 F548	E119-D123 PolarHBondContact O-N 3.44Å; E119-D123 VanDerWaalsContact O-N 3.08Å; T120-D123 PolarHBondContact O-N 2.95Å; T120-D123 VanDerWaalsContact O-N 3.16Å; D123-I125 PolarHBondContact O-N 2.9Å; D123-K126 WeakPolarHBondContact O-CB 3.44Å; D123-K126 PolarHBondContact O-N 2.91Å; D123-K126 VanDerWaalsContact O-N 3.15Å; D123-K126 IonicContact OD1-NZ 2.72Å; D123-K126 PolarHBondContact OD1-NZ 2.72Å; D123-L127 WeakPolarHBondContact O-CG 3.42Å; D123-L127 PolarHBondContact O-N 3.35Å; D123-F548 HydrophobicContact CB-CE2 4.46Å; D123-F548 HydrophobicContact CB-CZ 4.11Å
124	E	97.1	Very high	96.1	Very high	11 Å²	11	52 Å²	52	5%	0.051	25%	0.253	C	S	.	.	H	α-helix	trans	-56.5	-46.5	170.4	-171.7	-177	169.9	0	0	111	K109 T120 A121 K126 L127 L128 M163 L538	K109-E124 IonicContact NZ-OE1 2.98Å; K109-E124 PolarHBondContact NZ-OE1 3.08Å; K109-E124 IonicContact NZ-OE2 2.86Å; K109-E124 PolarHBondContact NZ-OE2 3.3Å; T120-E124 PolarHBondContact O-N 3.33Å; A121-E124 PolarHBondContact O-N 3.09Å; E124-K126 VanDerWaalsContact C-N 3.32Å; E124-K126 PolarHBondContact O-N 2.94Å; E124-L127 PolarHBondContact O-N 3.2Å; E124-L128 HydrophobicContact CG-CD1 3.89Å; E124-L128 HydrophobicContact CG-CG 4.48Å; E124-L128 WeakPolarHBondContact O-CB 3.49Å; E124-L128 WeakPolarHBondContact O-CG 3.31Å; E124-L128 PolarHBondContact O-N 3.23Å; E124-M163 HydrophobicContact CG-SD 4.36Å; E124-L538 HydrophobicContact CG-CB 4.43Å
125	I	98.1	Very high	96.1	Very high	8 Å²	8	53.7 Å²	53.7	4%	0.041	26%	0.259	C	S	.	.	H	α-helix	trans	-59.5	-40.4	176.2	-73	164.6	0	0	0	111.8	A121 L122 D123 L128 R129 L147 D150 V161 M163	A121-I125 VanDerWaalsContact O-CG1 3.29Å; A121-I125 WeakPolarHBondContact O-CG1 3.49Å; A121-I125 PolarHBondContact O-N 2.92Å; L122-I125 HydrophobicContact CD2-CD1 4.5Å; D123-I125 PolarHBondContact O-N 2.9Å; I125-L128 PolarHBondContact O-N 3.42Å; I125-R129 HydrophobicContact CG2-CG 4.34Å; I125-R129 WeakPolarHBondContact O-CB 3.31Å; I125-R129 VanDerWaalsContact O-CG 3.29Å; I125-R129 WeakPolarHBondContact O-CG 3.36Å; I125-R129 PolarHBondContact O-N 2.9Å; I125-L147 HydrophobicContact CG2-CD2 4.12Å; I125-D150 HydrophobicContact CD1-CB 3.87Å; I125-D150 HydrophobicContact CG1-CB 4.28Å; I125-V161 HydrophobicContact CD1-CG1 3.5Å; I125-M163 HydrophobicContact CD1-CG 3.93Å; I125-M163 HydrophobicContact CD1-SD 4.35Å; I125-M163 HydrophobicContact CG1-CG 3.75Å; I125-M163 HydrophobicContact CG1-SD 3.75Å
126	K	98.1	Very high	96	Very high	118 Å²	118	50.6 Å²	50.6	51%	0.513	25%	0.251	S	S	.	.	H	α-helix	trans	-64.8	-42.4	178	-69.2	168	-160.8	158	0	111.4	L122 D123 E124 C130	L122-K126 WeakPolarHBondContact O-CG 3.49Å; L122-K126 PolarHBondContact O-N 3.5Å; D123-K126 WeakPolarHBondContact O-CB 3.44Å; D123-K126 PolarHBondContact O-N 2.91Å; D123-K126 VanDerWaalsContact O-N 3.15Å; D123-K126 IonicContact OD1-NZ 2.72Å; D123-K126 PolarHBondContact OD1-NZ 2.72Å; E124-K126 VanDerWaalsContact C-N 3.32Å; E124-K126 PolarHBondContact O-N 2.94Å; K126-C130 PolarHBondContact O-N 2.87Å; K126-C130 VanDerWaalsContact O-N 3.08Å
127	L	98.1	Very high	96.1	Very high	1 Å²	1	49 Å²	49	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-62.9	-48.8	176.2	-70.8	161.4	0	0	0	110.6	D123 E124 R129 C130 V131 I209 L538 A541 W543 F548	D123-L127 WeakPolarHBondContact O-CG 3.42Å; D123-L127 PolarHBondContact O-N 3.35Å; E124-L127 PolarHBondContact O-N 3.2Å; L127-R129 PolarHBondContact O-N 3.01Å; L127-C130 WeakPolarHBondContact O-CA 3.15Å; L127-C130 VanDerWaalsContact O-CB 3.31Å; L127-C130 WeakPolarHBondContact O-CB 3.41Å; L127-C130 PolarHBondContact O-N 2.79Å; L127-C130 VanDerWaalsContact O-N 3.1Å; L127-V131 WeakPolarHBondContact O-CG2 3.34Å; L127-V131 PolarHBondContact O-N 2.78Å; L127-I209 HydrophobicContact CB-CD1 4.26Å; L127-I209 HydrophobicContact CD2-CD1 3.69Å; L127-I209 HydrophobicContact CD2-CG1 3.77Å; L127-I209 HydrophobicContact CD2-CG2 4.23Å; L127-L538 HydrophobicContact CB-CD2 4.35Å; L127-A541 HydrophobicContact CD1-CB 4.09Å; L127-A541 VanDerWaalsContact CD1-O 3.3Å; L127-A541 WeakPolarHBondContact CD1-O 3.46Å; L127-W543 HydrophobicContact CD2-CD2 3.96Å; L127-W543 HydrophobicContact CD2-CG 4.22Å; L127-W543 HydrophobicContact CD2-CZ2 4.01Å; L127-F548 HydrophobicContact CD1-CE2 4.27Å
128	L	98.1	Very high	96.2	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-61.8	-39.7	178.5	-74.1	165.5	0	0	0	113.1	E124 I125 C130 V131 R132 V145 L147 M163 F165 L538	E124-L128 HydrophobicContact CG-CD1 3.89Å; E124-L128 HydrophobicContact CG-CG 4.48Å; E124-L128 WeakPolarHBondContact O-CB 3.49Å; E124-L128 WeakPolarHBondContact O-CG 3.31Å; E124-L128 PolarHBondContact O-N 3.23Å; I125-L128 PolarHBondContact O-N 3.42Å; L128-C130 VanDerWaalsContact C-N 3.33Å; L128-V131 WeakPolarHBondContact O-CB 3.36Å; L128-V131 PolarHBondContact O-N 2.85Å; L128-R132 PolarHBondContact O-N 2.9Å; L128-R132 VanDerWaalsContact O-N 3.08Å; L128-V145 HydrophobicContact CD2-CG1 4.13Å; L128-L147 HydrophobicContact CB-CB 3.84Å; L128-L147 HydrophobicContact CB-CD2 4Å; L128-L147 HydrophobicContact CB-CG 4.49Å; L128-L147 HydrophobicContact CD1-CB 4.35Å; L128-L147 HydrophobicContact CD1-CD1 4.36Å; L128-M163 HydrophobicContact CD1-SD 4.23Å; L128-F165 HydrophobicContact CD1-CE1 3.65Å; L128-F165 HydrophobicContact CD1-CZ 3.77Å; L128-F165 HydrophobicContact CD2-CE1 4.15Å; L128-L538 HydrophobicContact CD2-CD1 4.33Å; L128-L538 HydrophobicContact CD2-CD2 4.21Å
129	R	97.7	Very high	96.2	Very high	98 Å²	98	51.2 Å²	51.2	37%	0.37	28%	0.281	S	S	.	.	H	α-helix	trans	-62.3	-41.7	173.1	-76.1	175.2	177.7	-118.9	9.3	111.2	I125 L127 R132 E133 L147 D150	I125-R129 HydrophobicContact CG2-CG 4.34Å; I125-R129 WeakPolarHBondContact O-CB 3.31Å; I125-R129 VanDerWaalsContact O-CG 3.29Å; I125-R129 WeakPolarHBondContact O-CG 3.36Å; I125-R129 PolarHBondContact O-N 2.9Å; L127-R129 PolarHBondContact O-N 3.01Å; R129-R132 PolarHBondContact O-N 3.49Å; R129-E133 VanDerWaalsContact O-CB 3.31Å; R129-E133 WeakPolarHBondContact O-CB 3.42Å; R129-E133 VanDerWaalsContact O-CG 3.29Å; R129-E133 WeakPolarHBondContact O-CG 3.45Å; R129-E133 PolarHBondContact O-N 2.96Å; R129-L147 HydrophobicContact CG-CD2 4.11Å; R129-D150 IonicContact CZ-OD1 3.28Å; R129-D150 VanDerWaalsContact CZ-OD1 3.28Å; R129-D150 IonicContact NE-OD1 3.59Å; R129-D150 PolarHBondContact NE-OD1 3.2Å; R129-D150 VanDerWaalsContact NE-OD1 3.15Å; R129-D150 IonicContact NH2-OD1 2.65Å; R129-D150 PolarHBondContact NH2-OD1 3.3Å; R129-D150 IonicContact NH2-OD2 3.38Å; R129-D150 PolarHBondContact NH2-OD2 2.81Å
130	C	97.6	Very high	96.4	Very high	20 Å²	20	47.8 Å²	47.8	14%	0.135	27%	0.266	C	S	.	.	H	α-helix	trans	-61.7	-43.4	173.7	171.5	0	0	0	0	112.7	K126 L127 L128 R132 E133 S134 I209 W543	K126-C130 PolarHBondContact O-N 2.87Å; K126-C130 VanDerWaalsContact O-N 3.08Å; L127-C130 WeakPolarHBondContact O-CA 3.15Å; L127-C130 VanDerWaalsContact O-CB 3.31Å; L127-C130 WeakPolarHBondContact O-CB 3.41Å; L127-C130 PolarHBondContact O-N 2.79Å; L127-C130 VanDerWaalsContact O-N 3.1Å; L128-C130 VanDerWaalsContact C-N 3.33Å; C130-R132 VanDerWaalsContact C-N 3.25Å; C130-R132 PolarHBondContact O-N 2.82Å; C130-E133 PolarHBondContact O-N 3.37Å; C130-S134 WeakPolarHBondContact O-CB 3.41Å; C130-S134 PolarHBondContact O-N 3.49Å; C130-S134 PolarHBondContact O-OG 2.93Å; C130-S134 PolarHBondContact SG-OG 3.2Å; C130-I209 HydrophobicContact CB-CD1 4.4Å; C130-W543 HydrophobicContact CB-CH2 3.29Å; C130-W543 HydrophobicContact CB-CZ2 3.97Å; C130-W543 HydrophobicContact CB-CZ3 4.1Å; C130-W543 WeakPolarHBondContact SG-CH2 3.34Å; C130-W543 WeakPolarHBondContact SG-CZ3 3.22Å
131	V	97.5	Very high	96.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-54.9	-45.3	174.8	172.4	0	0	0	0	110.7	L127 L128 E133 V144 Y202 L203 I209 L538	L127-V131 WeakPolarHBondContact O-CG2 3.34Å; L127-V131 PolarHBondContact O-N 2.78Å; L128-V131 WeakPolarHBondContact O-CB 3.36Å; L128-V131 PolarHBondContact O-N 2.85Å; V131-E133 PolarHBondContact O-N 2.85Å; V131-V144 HydrophobicContact CG1-CB 4.01Å; V131-V144 HydrophobicContact CG1-CG1 3.77Å; V131-Y202 HydrophobicContact CG1-CE1 4Å; V131-Y202 VanDerWaalsContact O-CE1 3.29Å; V131-Y202 WeakPolarHBondContact O-CE1 3.49Å; V131-Y202 PolarHBondContact O-OH 3.23Å; V131-L203 HydrophobicContact CG2-CD2 3.56Å; V131-I209 HydrophobicContact CG2-CD1 3.9Å; V131-L538 HydrophobicContact CG2-CD2 3.79Å
132	R	95.6	Very high	96.5	Very high	78 Å²	78	49.9 Å²	49.9	29%	0.294	27%	0.272	S	S	.	.	H	α-helix	trans	-68.1	-33.2	-179.7	-171.2	179	66.8	-174.9	3.2	113.6	L128 R129 C130 L147	L128-R132 PolarHBondContact O-N 2.9Å; L128-R132 VanDerWaalsContact O-N 3.08Å; R129-R132 PolarHBondContact O-N 3.49Å; C130-R132 VanDerWaalsContact C-N 3.25Å; C130-R132 PolarHBondContact O-N 2.82Å; R132-L147 WeakPolarHBondContact CD-O 3.43Å; R132-L147 PolarHBondContact NH1-O 3.18Å
133	E	95.9	Very high	96.5	Very high	110 Å²	110	48 Å²	48	51%	0.514	26%	0.262	S	S	.	.	H	α-helix	trans	-103.6	-18.6	-166	-68.4	165.2	-164.5	0	0	114.4	R129 C130 V131	R129-E133 VanDerWaalsContact O-CB 3.31Å; R129-E133 WeakPolarHBondContact O-CB 3.42Å; R129-E133 VanDerWaalsContact O-CG 3.29Å; R129-E133 WeakPolarHBondContact O-CG 3.45Å; R129-E133 PolarHBondContact O-N 2.96Å; C130-E133 PolarHBondContact O-N 3.37Å; V131-E133 PolarHBondContact O-N 2.85Å
134	S	96.1	Very high	96.7	Very high	49 Å²	49	45.9 Å²	45.9	34%	0.343	25%	0.25	S	S	.	.	S	Bend	trans	-63.3	-49.9	-172	-65.5	0	0	0	0	114	C130	C130-S134 WeakPolarHBondContact O-CB 3.41Å; C130-S134 PolarHBondContact O-N 3.49Å; C130-S134 PolarHBondContact O-OG 2.93Å; C130-S134 PolarHBondContact SG-OG 3.2Å
135	D	95.7	Very high	96.7	Very high	53 Å²	53	45.9 Å²	45.9	28%	0.283	25%	0.251	S	S	.	.			trans	-149.1	85.4	173.7	-172.9	-4.1	0	0	0	110.3	G137 D138 Y202 K206	D135-G137 PolarHBondContact O-N 2.79Å; D135-G137 VanDerWaalsContact O-N 3.07Å; D135-G137 PolarHBondContact OD1-N 2.94Å; D135-D138 HydrophobicContact CB-CB 4.2Å; D135-D138 PolarHBondContact O-N 2.92Å; D135-D138 VanDerWaalsContact O-N 3.13Å; D135-Y202 HydrophobicContact CB-CE2 4.1Å; D135-Y202 PolarHBondContact N-OH 2.86Å; D135-Y202 PolarHBondContact O-OH 3.17Å; D135-K206 HydrophobicContact CB-CB 4.44Å; D135-K206 HydrophobicContact CB-CD 4.4Å; D135-K206 HydrophobicContact CB-CG 4.29Å; D135-K206 IonicContact OD2-NZ 3.44Å; D135-K206 PolarHBondContact OD2-NZ 2.87Å
136	P	92.6	Very high	96.7	Very high	77 Å²	77	46.9 Å²	46.9	50%	0.5	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-14.2	-177	-23.1	34.3	0	0	0	114.4	K141	P136-K141 PolarHBondContact O-NZ 3.14Å
137	G	95	Very high	96.7	Very high	68 Å²	68	41.3 Å²	41.3	70%	0.701	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-13.3	178.2	0	0	0	0	0	113.8	D135	D135-G137 PolarHBondContact O-N 2.79Å; D135-G137 VanDerWaalsContact O-N 3.07Å; D135-G137 PolarHBondContact OD1-N 2.94Å
138	D	96.1	Very high	96.6	Very high	22 Å²	22	44.7 Å²	44.7	12%	0.118	25%	0.249	C	C	.	.			trans	-78.6	121.1	-178.4	-160.7	-45.8	0	0	0	110.7	D135 N140 K141 Y202 K206	D135-D138 HydrophobicContact CB-CB 4.2Å; D135-D138 PolarHBondContact O-N 2.92Å; D135-D138 VanDerWaalsContact O-N 3.13Å; D138-N140 PolarHBondContact O-N 3.43Å; D138-N140 VanDerWaalsContact OD1-CB 3.28Å; D138-N140 WeakPolarHBondContact OD1-CB 3.33Å; D138-N140 PolarHBondContact OD1-N 2.78Å; D138-K141 WeakPolarHBondContact O-CB 3.08Å; D138-K141 WeakPolarHBondContact O-CD 3.36Å; D138-K141 WeakPolarHBondContact O-CG 3.32Å; D138-K141 PolarHBondContact O-N 3.29Å; D138-Y202 HydrophobicContact CB-CD2 3.9Å; D138-Y202 HydrophobicContact CB-CE2 3.78Å; D138-K206 WeakPolarHBondContact OD2-CE 3.33Å; D138-K206 IonicContact OD2-NZ 3.81Å; D138-K206 PolarHBondContact OD2-NZ 2.88Å
139	P	95.9	Very high	96.6	Very high	89 Å²	89	46.2 Å²	46.2	58%	0.578	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-66.4	-22.1	179.7	28.4	-35.9	0	0	0	113	K141 D142	P139-K141 PolarHBondContact O-N 2.89Å; P139-D142 PolarHBondContact O-N 3.38Å
140	N	97	Very high	96.6	Very high	28 Å²	28	43.4 Å²	43.4	15%	0.15	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-67.6	-19.1	179.6	-70.6	-14.1	0	0	0	112.4	D138 D142 M143 Q198	D138-N140 PolarHBondContact O-N 3.43Å; D138-N140 VanDerWaalsContact OD1-CB 3.28Å; D138-N140 WeakPolarHBondContact OD1-CB 3.33Å; D138-N140 PolarHBondContact OD1-N 2.78Å; N140-D142 PolarHBondContact O-N 3.43Å; N140-M143 WeakPolarHBondContact O-CB 3.36Å; N140-M143 PolarHBondContact O-N 2.89Å; N140-M143 VanDerWaalsContact O-N 3.12Å; N140-Q198 HydrophobicContact CB-CB 4.39Å; N140-Q198 WeakPolarHBondContact CB-O 3.33Å
141	K	96	Very high	96.6	Very high	46 Å²	46	43.4 Å²	43.4	20%	0.2	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-57.5	-31.5	173.6	85.5	-173.8	-177.2	177.5	0	111.9	P136 D138 P139 M143 V144 Q146 Y202	P136-K141 PolarHBondContact O-NZ 3.14Å; D138-K141 WeakPolarHBondContact O-CB 3.08Å; D138-K141 WeakPolarHBondContact O-CD 3.36Å; D138-K141 WeakPolarHBondContact O-CG 3.32Å; D138-K141 PolarHBondContact O-N 3.29Å; P139-K141 PolarHBondContact O-N 2.89Å; K141-M143 PolarHBondContact O-N 3.39Å; K141-V144 PolarHBondContact O-N 2.97Å; K141-Q146 PolarHBondContact O-NE2 2.82Å; K141-Y202 HydrophobicContact CB-CD1 4.04Å; K141-Y202 HydrophobicContact CB-CD2 4.13Å; K141-Y202 HydrophobicContact CB-CE1 3.62Å; K141-Y202 HydrophobicContact CB-CE2 3.74Å; K141-Y202 HydrophobicContact CB-CG 4.28Å; K141-Y202 VanDerWaalsContact CB-CZ 3.48Å
142	D	95.9	Very high	96.6	Very high	68 Å²	68	49.4 Å²	49.4	36%	0.364	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-73.7	-7.9	-175.9	-65.3	-23.9	0	0	0	112.2	P139 N140 V144 K534	P139-D142 PolarHBondContact O-N 3.38Å; N140-D142 PolarHBondContact O-N 3.43Å; D142-V144 VanDerWaalsContact C-N 3.28Å; D142-K534 VanDerWaalsContact O-CD 3.22Å; D142-K534 WeakPolarHBondContact O-CD 3.47Å; D142-K534 WeakPolarHBondContact O-CE 3.33Å; D142-K534 WeakPolarHBondContact O-CG 3.46Å; D142-K534 PolarHBondContact O-NZ 3.2Å; D142-K534 VanDerWaalsContact O-NZ 3.15Å
143	M	98.2	Very high	96.6	Very high	18 Å²	18	46.5 Å²	46.5	9%	0.089	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-88.1	5.1	171	-51.6	-54.6	157.5	0	0	112.7	N140 K141 Q195 Q198 R532 K534 I535	N140-M143 WeakPolarHBondContact O-CB 3.36Å; N140-M143 PolarHBondContact O-N 2.89Å; N140-M143 VanDerWaalsContact O-N 3.12Å; K141-M143 PolarHBondContact O-N 3.39Å; M143-Q195 WeakPolarHBondContact CB-O 3.25Å; M143-Q195 HydrophobicContact SD-CB 4.01Å; M143-Q195 HydrophobicContact SD-CG 3.97Å; M143-Q198 HydrophobicContact CB-CB 4.48Å; M143-Q198 HydrophobicContact CG-CB 3.86Å; M143-R532 VanDerWaalsContact CE-NH2 3.33Å; M143-K534 CarbonylContact O-C 3.56Å; M143-K534 VanDerWaalsContact O-CA 3.29Å; M143-K534 WeakPolarHBondContact O-CA 3.3Å; M143-I535 PolarHBondContact O-N 3.11Å
144	V	98.4	Very high	96.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-122.1	141.4	172.6	-172.3	0	0	0	0	108.5	V131 K141 D142 Q146 L203 L538	V131-V144 HydrophobicContact CG1-CB 4.01Å; V131-V144 HydrophobicContact CG1-CG1 3.77Å; K141-V144 PolarHBondContact O-N 2.97Å; D142-V144 VanDerWaalsContact C-N 3.28Å; V144-Q146 PolarHBondContact O-N 2.84Å; V144-Q146 PolarHBondContact O-NE2 3.05Å; V144-L203 HydrophobicContact CG1-CD2 4.32Å; V144-L203 HydrophobicContact CG2-CD1 4.24Å; V144-L203 HydrophobicContact CG2-CD2 4.23Å; V144-L203 HydrophobicContact CG2-CG 4.01Å; V144-L538 HydrophobicContact CG1-CD1 4.27Å
145	V	97.7	Very high	96.4	Very high	10 Å²	10	45.1 Å²	45.1	6%	0.061	27%	0.269	C	S	.	.			trans	-57.7	136.3	178.4	69.2	0	0	0	0	111.6	L128 F165 L168 I535 A536 L538	L128-V145 HydrophobicContact CD2-CG1 4.13Å; V145-F165 HydrophobicContact CG2-CB 4.21Å; V145-F165 HydrophobicContact CG2-CD1 3.77Å; V145-F165 HydrophobicContact CG2-CE1 4.49Å; V145-F165 HydrophobicContact CG2-CG 4.25Å; V145-L168 HydrophobicContact CB-CD1 4.39Å; V145-L168 HydrophobicContact CG2-CD1 3.97Å; V145-I535 PolarHBondContact N-O 2.88Å; V145-A536 HydrophobicContact CB-CB 4.41Å; V145-A536 HydrophobicContact CG1-CB 4.31Å; V145-L538 HydrophobicContact CG1-CD1 4.48Å
146	Q	96.9	Very high	96.2	Very high	29 Å²	29	47.2 Å²	47.2	14%	0.136	28%	0.283	C	S	.	.			trans	-102.4	127	-176.7	-60.8	-59.4	-53	0	0	112.5	K141 V144 I148 F165 E166	K141-Q146 PolarHBondContact O-NE2 2.82Å; V144-Q146 PolarHBondContact O-N 2.84Å; V144-Q146 PolarHBondContact O-NE2 3.05Å; Q146-I148 PolarHBondContact O-N 2.84Å; Q146-F165 WeakPolarHBondContact O-CD1 3.43Å; Q146-E166 PolarHBondContact N-OE1 3.33Å
147	L	97.8	Very high	96.2	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	115	171.4	-178.3	72.5	0	0	0	110.3	I125 L128 R129 R132 D149 M163 F165	I125-L147 HydrophobicContact CG2-CD2 4.12Å; L128-L147 HydrophobicContact CB-CB 3.84Å; L128-L147 HydrophobicContact CB-CD2 4Å; L128-L147 HydrophobicContact CB-CG 4.49Å; L128-L147 HydrophobicContact CD1-CB 4.35Å; L128-L147 HydrophobicContact CD1-CD1 4.36Å; R129-L147 HydrophobicContact CG-CD2 4.11Å; R132-L147 WeakPolarHBondContact CD-O 3.43Å; R132-L147 PolarHBondContact NH1-O 3.18Å; L147-D149 WeakPolarHBondContact CD1-O 3.43Å; L147-M163 HydrophobicContact CD1-CB 3.86Å; L147-M163 HydrophobicContact CD1-CG 4.22Å; L147-F165 HydrophobicContact CB-CE1 4.24Å; L147-F165 HydrophobicContact CD1-CD1 4.37Å; L147-F165 HydrophobicContact CD1-CE1 3.85Å; L147-F165 HydrophobicContact CD1-CZ 4.04Å
148	I	96.8	Very high	96.2	Very high	72 Å²	72	42.5 Å²	42.5	37%	0.369	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	-50.4	179.8	-59.5	178.9	0	0	0	110.4	V106 Q146 V164 F165	V106-I148 HydrophobicContact CG1-CD1 4.01Å; Q146-I148 PolarHBondContact O-N 2.84Å; I148-V164 HydrophobicContact CB-CG1 4.29Å; I148-V164 WeakPolarHBondContact CB-O 3.14Å; I148-V164 PolarHBondContact N-O 3.39Å; I148-F165 VanDerWaalsContact CD1-C 3.45Å
149	D	97.6	Very high	96.3	Very high	35 Å²	35	46.1 Å²	46.1	19%	0.187	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	157.3	-176.1	-160.3	7.1	0	0	0	110.6	R79 Y80 L147 V164	R79-D149 IonicContact NH1-OD2 2.68Å; R79-D149 PolarHBondContact NH1-OD2 3.04Å; Y80-D149 HydrophobicContact CE2-CB 4.48Å; Y80-D149 WeakPolarHBondContact OH-CB 3.42Å; Y80-D149 PolarHBondContact OH-OD2 2.8Å; L147-D149 WeakPolarHBondContact CD1-O 3.43Å; D149-V164 HydrophobicContact CB-CB 4.01Å; D149-V164 HydrophobicContact CB-CG2 4.13Å; D149-V164 PolarHBondContact N-O 2.94Å; D149-V164 PolarHBondContact O-N 3.02Å
150	D	98.1	Very high	96.4	Very high	38 Å²	38	41.9 Å²	41.9	20%	0.203	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	142.4	171.3	67.7	-98	0	0	0	111.1	I125 R129 C162	I125-D150 HydrophobicContact CD1-CB 3.87Å; I125-D150 HydrophobicContact CG1-CB 4.28Å; R129-D150 IonicContact CZ-OD1 3.28Å; R129-D150 VanDerWaalsContact CZ-OD1 3.28Å; R129-D150 IonicContact NE-OD1 3.59Å; R129-D150 PolarHBondContact NE-OD1 3.2Å; R129-D150 VanDerWaalsContact NE-OD1 3.15Å; R129-D150 IonicContact NH2-OD1 2.65Å; R129-D150 PolarHBondContact NH2-OD1 3.3Å; R129-D150 IonicContact NH2-OD2 3.38Å; R129-D150 PolarHBondContact NH2-OD2 2.81Å; D150-C162 VanDerWaalsContact CA-O 3.28Å; D150-C162 WeakPolarHBondContact CA-O 3.3Å
151	F	98.2	Very high	96.4	Very high	21 Å²	21	40.6 Å²	40.6	9%	0.092	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	175.3	179.7	57.1	-88.9	0	0	0	110.9	F76 N77 Y80 M108 I153 C162 V164	F76-F151 HydrophobicContact CB-CE2 3.99Å; F76-F151 HydrophobicContact CB-CZ 3.91Å; N77-F151 HydrophobicContact CB-CD1 4.13Å; N77-F151 HydrophobicContact CB-CD2 4.06Å; N77-F151 HydrophobicContact CB-CE1 4.14Å; N77-F151 HydrophobicContact CB-CE2 4.06Å; N77-F151 HydrophobicContact CB-CG 4.1Å; N77-F151 HydrophobicContact CB-CZ 4.11Å; Y80-F151 AromaticContact CD2-CE1 3.56Å; Y80-F151 HydrophobicContact CD2-CE1 3.56Å; Y80-F151 AromaticContact CD2-CZ 3.89Å; Y80-F151 HydrophobicContact CD2-CZ 3.89Å; Y80-F151 HydrophobicContact CE2-CD1 4.21Å; Y80-F151 AromaticContact CE2-CE1 3.54Å; Y80-F151 HydrophobicContact CE2-CE1 3.54Å; Y80-F151 HydrophobicContact CE2-CZ 4.34Å; M108-F151 HydrophobicContact SD-CZ 3.83Å; F151-I153 HydrophobicContact CD2-CG2 3.74Å; F151-I153 HydrophobicContact CE2-CG2 3.54Å; F151-C162 HydrophobicContact CD1-CB 4.33Å; F151-C162 HydrophobicContact CD2-CB 3.83Å; F151-C162 HydrophobicContact CE1-CB 4.05Å; F151-C162 HydrophobicContact CE2-CB 3.51Å; F151-C162 HydrophobicContact CG-CB 4.22Å; F151-C162 HydrophobicContact CZ-CB 3.63Å; F151-C162 PolarHBondContact N-O 2.88Å; F151-C162 PolarHBondContact O-N 2.63Å; F151-V164 HydrophobicContact CE1-CG2 3.77Å
152	K	97.6	Very high	96.5	Very high	125 Å²	125	38.4 Å²	38.4	54%	0.543	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	143.2	176.5	-64.6	-177.4	-177.6	-177.6	0	110.5	I159 H160 V161	K152-I159 HydrophobicContact CB-CG2 3.95Å; K152-I159 HydrophobicContact CD-CG2 4.05Å; K152-I159 HydrophobicContact CG-CG2 4.36Å; K152-H160 CarbonylContact C-O 3.6Å; K152-H160 VanDerWaalsContact CA-O 3.3Å; K152-H160 WeakPolarHBondContact CA-O 3.35Å; K152-V161 HydrophobicContact CG-CG2 4.45Å
153	I	96.1	Very high	96.6	Very high	17 Å²	17	35.2 Å²	35.2	9%	0.087	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	141.2	175.7	64	172.3	0	0	0	109.5	H68 F76 V110 F151 I159 H160	H68-I153 HydrophobicContact CB-CD1 4.42Å; F76-I153 HydrophobicContact CD1-CB 4.48Å; F76-I153 HydrophobicContact CD1-CD1 4.19Å; F76-I153 HydrophobicContact CD1-CG2 3.65Å; F76-I153 HydrophobicContact CE1-CB 4.42Å; F76-I153 HydrophobicContact CE1-CD1 3.54Å; F76-I153 HydrophobicContact CE1-CG2 4.05Å; F76-I153 HydrophobicContact CZ-CD1 4.3Å; V110-I153 HydrophobicContact CG1-CD1 3.98Å; F151-I153 HydrophobicContact CD2-CG2 3.74Å; F151-I153 HydrophobicContact CE2-CG2 3.54Å; I153-I159 CarbonylContact O-C 3.6Å; I153-I159 WeakPolarHBondContact O-CA 3.31Å; I153-H160 HydrophobicContact CD1-CB 4.09Å; I153-H160 HydrophobicContact CG1-CB 3.67Å; I153-H160 PolarHBondContact N-O 3.05Å; I153-H160 PolarHBondContact O-N 3.5Å
154	S	95.8	Very high	96.6	Very high	112 Å²	112	34.3 Å²	34.3	78%	0.783	20%	0.197	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	110.7	172.8	-171.1	0	0	0	0	108.8
155	G	90.9	Very high	96.6	Very high	19 Å²	19	35.3 Å²	35.3	20%	0.196	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	177.5	177.2	0	0	0	0	0	112.8	N157 G158	G155-N157 PolarHBondContact O-N 2.77Å; G155-G158 PolarHBondContact N-O 2.82Å; G155-G158 PolarHBondContact O-N 3.31Å
156	V	91.6	Very high	96.6	Very high	96 Å²	96	37.2 Å²	37.2	58%	0.582	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-27.5	174.4	-65.2	0	0	0	0	112.9	P69	P69-V156 HydrophobicContact CG-CG2 4.05Å
157	N	93.4	Very high	96.5	Very high	19 Å²	19	36.6 Å²	36.6	10%	0.102	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-9.8	-175.2	-71.2	-15.7	0	0	0	113.4	Y62 C63 K64 G65 Y67 S113 G155	Y62-N157 PolarHBondContact O-ND2 3.34Å; C63-N157 VanDerWaalsContact C-CG 3.4Å; C63-N157 WeakPolarHBondContact O-CB 3.25Å; C63-N157 PolarHBondContact O-ND2 2.98Å; C63-N157 PolarHBondContact O-OD1 2.91Å; K64-N157 WeakPolarHBondContact CA-O 3.32Å; G65-N157 PolarHBondContact N-O 3.38Å; Y67-N157 PolarHBondContact O-ND2 2.99Å; S113-N157 PolarHBondContact OG-O 2.89Å; G155-N157 PolarHBondContact O-N 2.77Å
158	G	94.8	Very high	96.4	Very high	27 Å²	27	37.8 Å²	37.8	28%	0.278	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	142.1	-163.3	179.7	0	0	0	0	0	112.2	G155 H160	G155-G158 PolarHBondContact N-O 2.82Å; G155-G158 PolarHBondContact O-N 3.31Å; G158-H160 PolarHBondContact O-CD2 2.81Å; G158-H160 VanDerWaalsContact O-CD2 3.24Å
159	I	96.8	Very high	96.2	Very high	98 Å²	98	35.1 Å²	35.1	50%	0.503	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	125.7	172.5	-59.8	174.3	0	0	0	107.4	S113 K152 I153	S113-I159 WeakPolarHBondContact CB-O 3.26Å; K152-I159 HydrophobicContact CB-CG2 3.95Å; K152-I159 HydrophobicContact CD-CG2 4.05Å; K152-I159 HydrophobicContact CG-CG2 4.36Å; I153-I159 CarbonylContact O-C 3.6Å; I153-I159 WeakPolarHBondContact O-CA 3.31Å
160	H	97.9	Very high	96	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	139.4	179.5	-57.1	-102.3	0	0	0	109.8	G66 H68 V110 V111 S113 K152 I153 G158	G66-H160 PolarHBondContact O-CE1 3.28Å; G66-H160 VanDerWaalsContact O-CE1 3.27Å; H68-H160 PolarHBondContact N-CE1 3.29Å; H68-H160 AromaticContact ND1-CD2 3.55Å; H68-H160 AromaticContact ND1-NE2 3.56Å; V110-H160 HydrophobicContact CG1-CB 4.13Å; V111-H160 WeakPolarHBondContact O-CB 3.42Å; V111-H160 PolarHBondContact O-ND1 2.95Å; S113-H160 VanDerWaalsContact CB-CE1 3.42Å; S113-H160 WeakPolarHBondContact CB-CE1 3.14Å; S113-H160 PolarHBondContact OG-CE1 3.38Å; K152-H160 CarbonylContact C-O 3.6Å; K152-H160 VanDerWaalsContact CA-O 3.3Å; K152-H160 WeakPolarHBondContact CA-O 3.35Å; I153-H160 HydrophobicContact CD1-CB 4.09Å; I153-H160 HydrophobicContact CG1-CB 3.67Å; I153-H160 PolarHBondContact N-O 3.05Å; I153-H160 PolarHBondContact O-N 3.5Å; G158-H160 PolarHBondContact O-CD2 2.81Å; G158-H160 VanDerWaalsContact O-CD2 3.24Å
161	V	98.1	Very high	95.8	Very high	2 Å²	2	37 Å²	37	1%	0.012	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	131.6	172.3	179.7	0	0	0	0	108.4	V111 T118 A121 I125 K152	V111-V161 PolarHBondContact N-O 2.96Å; T118-V161 HydrophobicContact CG2-CG2 3.89Å; A121-V161 HydrophobicContact CB-CB 4.15Å; A121-V161 HydrophobicContact CB-CG1 4.11Å; A121-V161 HydrophobicContact CB-CG2 4.48Å; I125-V161 HydrophobicContact CD1-CG1 3.5Å; K152-V161 HydrophobicContact CG-CG2 4.45Å
162	C	98.3	Very high	95.8	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	133.7	177	-62.4	0	0	0	0	109.4	K109 D150 F151	K109-C162 CarbonylContact O-C 3.46Å; K109-C162 VanDerWaalsContact O-CA 3.29Å; K109-C162 WeakPolarHBondContact O-CA 3.32Å; D150-C162 VanDerWaalsContact CA-O 3.28Å; D150-C162 WeakPolarHBondContact CA-O 3.3Å; F151-C162 HydrophobicContact CD1-CB 4.33Å; F151-C162 HydrophobicContact CD2-CB 3.83Å; F151-C162 HydrophobicContact CE1-CB 4.05Å; F151-C162 HydrophobicContact CE2-CB 3.51Å; F151-C162 HydrophobicContact CG-CB 4.22Å; F151-C162 HydrophobicContact CZ-CB 3.63Å; F151-C162 PolarHBondContact N-O 2.88Å; F151-C162 PolarHBondContact O-N 2.63Å
163	M	98.4	Very high	95.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	135.8	175.3	-65.5	174	-81.7	0	0	109	M108 K109 V111 A121 E124 I125 L128 L147 F165	M108-M163 CarbonylContact C-O 3.47Å; M108-M163 WeakPolarHBondContact CA-O 3.23Å; K109-M163 HydrophobicContact CB-CB 4.45Å; K109-M163 HydrophobicContact CD-CE 3.7Å; K109-M163 HydrophobicContact CG-CE 4.14Å; K109-M163 PolarHBondContact N-O 3.1Å; K109-M163 PolarHBondContact O-N 3.42Å; V111-M163 HydrophobicContact CG2-CE 3.65Å; A121-M163 HydrophobicContact CB-CE 4.44Å; E124-M163 HydrophobicContact CG-SD 4.36Å; I125-M163 HydrophobicContact CD1-CG 3.93Å; I125-M163 HydrophobicContact CD1-SD 4.35Å; I125-M163 HydrophobicContact CG1-CG 3.75Å; I125-M163 HydrophobicContact CG1-SD 3.75Å; L128-M163 HydrophobicContact CD1-SD 4.23Å; L147-M163 HydrophobicContact CD1-CB 3.86Å; L147-M163 HydrophobicContact CD1-CG 4.22Å; M163-F165 HydrophobicContact CB-CD2 4.34Å; M163-F165 HydrophobicContact CB-CE2 3.42Å; M163-F165 VanDerWaalsContact CB-CE2 3.42Å; M163-F165 HydrophobicContact CB-CZ 3.64Å; M163-F165 HydrophobicContact CG-CZ 4.41Å; M163-F165 HydrophobicContact SD-CZ 4.07Å
164	V	98.3	Very high	95.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	128	-177.4	-175.2	0	0	0	0	109.3	Y80 V106 A107 M108 I148 D149 F151	Y80-V164 HydrophobicContact CD1-CG1 4.41Å; Y80-V164 HydrophobicContact CD2-CG2 4.3Å; Y80-V164 HydrophobicContact CE1-CG1 3.78Å; Y80-V164 HydrophobicContact CE1-CG2 4.22Å; Y80-V164 HydrophobicContact CE2-CG2 3.86Å; V106-V164 HydrophobicContact CB-CG1 3.62Å; V106-V164 HydrophobicContact CG1-CG1 4.05Å; V106-V164 HydrophobicContact CG2-CG1 3.63Å; A107-V164 CarbonylContact O-C 3.58Å; A107-V164 WeakPolarHBondContact O-CA 3.48Å; M108-V164 HydrophobicContact CG-CG2 4.31Å; I148-V164 HydrophobicContact CB-CG1 4.29Å; I148-V164 WeakPolarHBondContact CB-O 3.14Å; I148-V164 PolarHBondContact N-O 3.39Å; D149-V164 HydrophobicContact CB-CB 4.01Å; D149-V164 HydrophobicContact CB-CG2 4.13Å; D149-V164 PolarHBondContact N-O 2.94Å; D149-V164 PolarHBondContact O-N 3.02Å; F151-V164 HydrophobicContact CE1-CG2 3.77Å
165	F	98.1	Very high	95.4	Very high	20 Å²	20	27.5 Å²	27.5	9%	0.088	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	167.2	-175.7	-57.5	-81.3	0	0	0	111.1	V106 A107 K109 L128 V145 Q146 L147 I148 M163	V106-F165 WeakPolarHBondContact CA-O 3.46Å; V106-F165 WeakPolarHBondContact CB-O 3.4Å; A107-F165 PolarHBondContact N-O 3.05Å; A107-F165 PolarHBondContact O-N 3.32Å; K109-F165 HydrophobicContact CB-CD2 4.44Å; K109-F165 HydrophobicContact CB-CE2 3.98Å; K109-F165 HydrophobicContact CD-CE2 4.23Å; L128-F165 HydrophobicContact CD1-CE1 3.65Å; L128-F165 HydrophobicContact CD1-CZ 3.77Å; L128-F165 HydrophobicContact CD2-CE1 4.15Å; V145-F165 HydrophobicContact CG2-CB 4.21Å; V145-F165 HydrophobicContact CG2-CD1 3.77Å; V145-F165 HydrophobicContact CG2-CE1 4.49Å; V145-F165 HydrophobicContact CG2-CG 4.25Å; Q146-F165 WeakPolarHBondContact O-CD1 3.43Å; L147-F165 HydrophobicContact CB-CE1 4.24Å; L147-F165 HydrophobicContact CD1-CD1 4.37Å; L147-F165 HydrophobicContact CD1-CE1 3.85Å; L147-F165 HydrophobicContact CD1-CZ 4.04Å; I148-F165 VanDerWaalsContact CD1-C 3.45Å; M163-F165 HydrophobicContact CB-CD2 4.34Å; M163-F165 HydrophobicContact CB-CE2 3.42Å; M163-F165 VanDerWaalsContact CB-CE2 3.42Å; M163-F165 HydrophobicContact CB-CZ 3.64Å; M163-F165 HydrophobicContact CG-CZ 4.41Å; M163-F165 HydrophobicContact SD-CZ 4.07Å
166	E	96.1	Very high	95.6	Very high	50 Å²	50	26.6 Å²	26.6	23%	0.234	15%	0.146	C	C	.	.			trans	-60.3	152.3	162.1	62.9	-171.1	132.2	0	0	111.3	Q146 L168 K534	Q146-E166 PolarHBondContact N-OE1 3.33Å; E166-L168 HydrophobicContact CG-CD1 4.46Å; E166-L168 HydrophobicContact CG-CD2 4.34Å; E166-L168 HydrophobicContact CG-CG 4.18Å; E166-L168 PolarHBondContact O-N 3.2Å; E166-K534 WeakPolarHBondContact OE1-CD 3.41Å; E166-K534 IonicContact OE1-NZ 3.85Å; E166-K534 PolarHBondContact OE1-NZ 2.98Å; E166-K534 WeakPolarHBondContact OE2-CE 3.49Å; E166-K534 IonicContact OE2-NZ 2.9Å; E166-K534 PolarHBondContact OE2-NZ 3.2Å
167	V	96.1	Very high	95.7	Very high	17 Å²	17	24.5 Å²	24.5	10%	0.103	13%	0.131	C	C	.	.			trans	-79.5	121.5	176.2	-176.6	0	0	0	0	108.9	L96 F105 V106 V223 V228	L96-V167 HydrophobicContact CD1-CG1 4.21Å; L96-V167 HydrophobicContact CD1-CG2 3.64Å; F105-V167 HydrophobicContact CB-CG2 4.04Å; V106-V167 VanDerWaalsContact C-CG2 3.49Å; V167-V223 HydrophobicContact CG1-CG2 4.41Å; V167-V228 HydrophobicContact CB-CG1 4.35Å; V167-V228 HydrophobicContact CB-CG2 4.17Å; V167-V228 HydrophobicContact CG1-CG1 4.11Å; V167-V228 HydrophobicContact CG1-CG2 3.82Å; V167-V228 HydrophobicContact CG2-CG1 4.26Å
168	L	95.7	Very high	95.7	Very high	25 Å²	25	28 Å²	28	13%	0.131	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	163.2	172.8	-63.1	169.1	0	0	0	109.6	V145 E166 L220 C222 K534	V145-L168 HydrophobicContact CB-CD1 4.39Å; V145-L168 HydrophobicContact CG2-CD1 3.97Å; E166-L168 HydrophobicContact CG-CD1 4.46Å; E166-L168 HydrophobicContact CG-CD2 4.34Å; E166-L168 HydrophobicContact CG-CG 4.18Å; E166-L168 PolarHBondContact O-N 3.2Å; L168-L220 HydrophobicContact CB-CB 3.94Å; L168-L220 HydrophobicContact CB-CD1 3.95Å; L168-L220 HydrophobicContact CD1-CB 3.99Å; L168-L220 HydrophobicContact CD1-CD1 3.79Å; L168-L220 HydrophobicContact CD1-CG 4.48Å; L168-C222 HydrophobicContact CD2-CB 4.39Å; L168-K534 HydrophobicContact CD1-CB 4.32Å; L168-K534 HydrophobicContact CD1-CD 4.44Å; L168-K534 HydrophobicContact CD2-CD 4.08Å; L168-K534 HydrophobicContact CD2-CG 4.35Å
169	G	92.8	Very high	95.6	Very high	16 Å²	16	27.4 Å²	27.4	17%	0.165	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	-154.2	177.2	0	0	0	0	0	112.9	M221 V223	G169-M221 WeakPolarHBondContact CA-O 3.33Å; G169-M221 PolarHBondContact N-O 3.42Å; G169-V223 VanDerWaalsContact CA-CG1 3.48Å
170	H	92.3	Very high	95.6	Very high	61 Å²	61	28.3 Å²	28.3	28%	0.282	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	149.8	-178.3	-61	-52.9	0	0	0	112.5	K174 M221	H170-K174 HydrophobicContact CB-CB 4.29Å; H170-K174 HydrophobicContact CB-CD 4.16Å; H170-M221 PolarHBondContact O-N 3.44Å
171	H	94.8	Very high	95.4	Very high	53 Å²	53	34 Å²	34	25%	0.245	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	159.5	168	56.9	84.5	0	0	0	111.4	L173 K174 E217 I219 L220	H171-L173 VanDerWaalsContact C-N 3.32Å; H171-L173 WeakPolarHBondContact ND1-CB 3.34Å; H171-L173 PolarHBondContact ND1-N 3.46Å; H171-L173 PolarHBondContact O-N 2.85Å; H171-K174 PolarHBondContact CE1-N 2.97Å; H171-K174 PolarHBondContact ND1-N 3.12Å; H171-K174 PolarHBondContact O-N 3.41Å; H171-E217 VanDerWaalsContact CB-O 3.22Å; H171-E217 WeakPolarHBondContact CB-O 3.37Å; H171-I219 CarbonylContact C-O 3.57Å; H171-I219 VanDerWaalsContact CA-O 3.24Å; H171-I219 WeakPolarHBondContact CA-O 3.37Å; H171-L220 HydrophobicContact CB-CD2 3.59Å
172	L	96.9	Very high	95.3	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-66.2	-30	-176	-65	-178.9	0	0	0	113.5	K174 W175 I176 I192 P216 I219 M221 V533 L584	L172-K174 PolarHBondContact O-N 3.26Å; L172-W175 WeakPolarHBondContact O-CA 3.21Å; L172-W175 WeakPolarHBondContact O-CB 3.28Å; L172-W175 PolarHBondContact O-N 3.37Å; L172-I176 PolarHBondContact O-N 3.04Å; L172-I192 HydrophobicContact CD1-CD1 4.4Å; L172-I192 HydrophobicContact CD1-CG2 3.52Å; L172-I192 HydrophobicContact CD2-CD1 4.02Å; L172-P216 HydrophobicContact CB-CB 3.99Å; L172-P216 WeakPolarHBondContact CB-O 3.3Å; L172-P216 PolarHBondContact N-O 3.4Å; L172-I219 HydrophobicContact CD1-CB 3.75Å; L172-I219 HydrophobicContact CD1-CG1 4.44Å; L172-I219 HydrophobicContact CD1-CG2 3.58Å; L172-I219 HydrophobicContact CG-CB 4.03Å; L172-I219 HydrophobicContact CG-CG2 4Å; L172-I219 PolarHBondContact N-O 2.84Å; L172-M221 HydrophobicContact CD2-CG 4.06Å; L172-M221 HydrophobicContact CD2-SD 4.47Å; L172-V533 HydrophobicContact CD2-CG1 4.47Å; L172-L584 HydrophobicContact CB-CD2 4.17Å; L172-L584 HydrophobicContact CD1-CD1 3.97Å; L172-L584 HydrophobicContact CD1-CD2 4.06Å
173	L	95.1	Very high	95.2	Very high	29 Å²	29	41.6 Å²	41.6	15%	0.152	20%	0.204	C	C	.	.	H	α-helix	trans	-56.7	-37.7	175.7	178.2	65.2	0	0	0	112	H171 W175 I176 I177 P216 E217	H171-L173 VanDerWaalsContact C-N 3.32Å; H171-L173 WeakPolarHBondContact ND1-CB 3.34Å; H171-L173 PolarHBondContact ND1-N 3.46Å; H171-L173 PolarHBondContact O-N 2.85Å; L173-W175 PolarHBondContact O-N 3.22Å; L173-I176 HydrophobicContact CD1-CB 4.49Å; L173-I176 PolarHBondContact O-N 3.49Å; L173-I176 VanDerWaalsContact O-N 3.16Å; L173-I177 HydrophobicContact CD1-CD1 4.39Å; L173-I177 HydrophobicContact CD1-CG1 4.36Å; L173-I177 HydrophobicContact CG-CD1 4.03Å; L173-I177 HydrophobicContact CG-CG1 4.46Å; L173-I177 WeakPolarHBondContact O-CG1 3.17Å; L173-I177 PolarHBondContact O-N 3.3Å; L173-P216 HydrophobicContact CB-CB 4.06Å; L173-P216 PolarHBondContact N-O 3.16Å; L173-E217 HydrophobicContact CB-CG 3.95Å; L173-E217 HydrophobicContact CD2-CG 3.52Å; L173-E217 HydrophobicContact CG-CG 4.37Å
174	K	92.9	Very high	95.1	Very high	31 Å²	31	42 Å²	42	14%	0.135	21%	0.205	C	C	.	.	H	α-helix	trans	-60.5	-31.4	175.9	-173.2	158.7	-175	159.8	0	111.8	D53 H170 H171 L172 K178	D53-K174 VanDerWaalsContact CG-NZ 3.28Å; D53-K174 IonicContact OD1-NZ 3.72Å; D53-K174 PolarHBondContact OD1-NZ 3.28Å; D53-K174 IonicContact OD2-NZ 2.81Å; D53-K174 PolarHBondContact OD2-NZ 2.83Å; H170-K174 HydrophobicContact CB-CB 4.29Å; H170-K174 HydrophobicContact CB-CD 4.16Å; H171-K174 PolarHBondContact CE1-N 2.97Å; H171-K174 PolarHBondContact ND1-N 3.12Å; H171-K174 PolarHBondContact O-N 3.41Å; L172-K174 PolarHBondContact O-N 3.26Å; K174-K178 WeakPolarHBondContact O-CG 3.44Å; K174-K178 PolarHBondContact O-N 2.89Å; K174-K178 VanDerWaalsContact O-N 3.09Å
175	W	94.7	Very high	95.1	Very high	15 Å²	15	43.6 Å²	43.6	6%	0.057	22%	0.216	C	C	.	.	H	α-helix	trans	-81.9	-33.1	176.9	-67.3	105.9	0	0	0	113.5	L172 L173 I177 K178 S179 M221 N521 P522 L523	L172-W175 WeakPolarHBondContact O-CA 3.21Å; L172-W175 WeakPolarHBondContact O-CB 3.28Å; L172-W175 PolarHBondContact O-N 3.37Å; L173-W175 PolarHBondContact O-N 3.22Å; W175-I177 VanDerWaalsContact C-N 3.32Å; W175-K178 HydrophobicContact CE3-CB 4.42Å; W175-K178 HydrophobicContact CE3-CD 3.8Å; W175-K178 HydrophobicContact CZ3-CD 3.89Å; W175-K178 PolarHBondContact O-N 2.97Å; W175-S179 PolarHBondContact O-N 2.88Å; W175-M221 HydrophobicContact CG-SD 4.49Å; W175-M221 HydrophobicContact CZ2-SD 4.39Å; W175-M221 PolarHBondContact NE1-SD 2.93Å; W175-N521 WeakPolarHBondContact CZ3-OD1 3.45Å; W175-P522 HydrophobicContact CB-CG 3.99Å; W175-P522 VanDerWaalsContact CD2-CD 3.49Å; W175-P522 HydrophobicContact CD2-CG 3.33Å; W175-P522 VanDerWaalsContact CE3-CD 3.44Å; W175-P522 HydrophobicContact CE3-CG 3.6Å; W175-P522 HydrophobicContact CG-CG 3.53Å; W175-P522 HydrophobicContact CH2-CG 4.48Å; W175-P522 HydrophobicContact CZ2-CG 4.29Å; W175-P522 VanDerWaalsContact CZ3-CD 3.48Å; W175-P522 HydrophobicContact CZ3-CG 4.18Å; W175-L523 HydrophobicContact CE3-CG 4.38Å
176	I	95	Very high	95	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60.3	-46.1	169.5	-63.8	172	0	0	0	109.5	L172 L173 K178 S179 N180 Y181 L184 P216 E583 L584	L172-I176 PolarHBondContact O-N 3.04Å; L173-I176 HydrophobicContact CD1-CB 4.49Å; L173-I176 PolarHBondContact O-N 3.49Å; L173-I176 VanDerWaalsContact O-N 3.16Å; I176-K178 PolarHBondContact O-N 2.72Å; I176-S179 WeakPolarHBondContact O-CB 3.21Å; I176-S179 PolarHBondContact O-N 2.77Å; I176-S179 VanDerWaalsContact O-N 3.11Å; I176-S179 PolarHBondContact O-OG 3.36Å; I176-N180 PolarHBondContact O-N 2.88Å; I176-Y181 HydrophobicContact CG2-CD1 3.7Å; I176-Y181 HydrophobicContact CG2-CE1 4.1Å; I176-Y181 HydrophobicContact CG2-CG 4.43Å; I176-Y181 PolarHBondContact O-N 2.94Å; I176-Y181 VanDerWaalsContact O-N 3.12Å; I176-L184 HydrophobicContact CG1-CD1 4.13Å; I176-P216 HydrophobicContact CD1-CB 3.82Å; I176-P216 HydrophobicContact CD1-CG 3.73Å; I176-E583 HydrophobicContact CD1-CG 4.23Å; I176-L584 HydrophobicContact CD1-CD2 3.85Å; I176-L584 HydrophobicContact CG1-CD2 4.01Å
177	I	93.6	Very high	95.1	Very high	51 Å²	51	45 Å²	45	26%	0.262	23%	0.229	S	C	.	.	H	α-helix	trans	-60.1	-47.3	175.3	-64.9	165.5	0	0	0	110.5	L173 W175 S179 N180 Y181	L173-I177 HydrophobicContact CD1-CD1 4.39Å; L173-I177 HydrophobicContact CD1-CG1 4.36Å; L173-I177 HydrophobicContact CG-CD1 4.03Å; L173-I177 HydrophobicContact CG-CG1 4.46Å; L173-I177 WeakPolarHBondContact O-CG1 3.17Å; L173-I177 PolarHBondContact O-N 3.3Å; W175-I177 VanDerWaalsContact C-N 3.32Å; I177-S179 PolarHBondContact O-N 2.79Å; I177-N180 WeakPolarHBondContact O-CA 3.26Å; I177-N180 PolarHBondContact O-N 3.09Å; I177-Y181 HydrophobicContact CG1-CE1 4.48Å; I177-Y181 HydrophobicContact CG1-CE2 4.4Å
178	K	92.6	Very high	95.2	Very high	94 Å²	94	44.2 Å²	44.2	41%	0.409	22%	0.224	S	C	.	.	H	α-helix	trans	-61.9	-26	176.1	-78.2	-176.1	175.3	-164	0	114	K174 W175 I176 N180 L523	K174-K178 WeakPolarHBondContact O-CG 3.44Å; K174-K178 PolarHBondContact O-N 2.89Å; K174-K178 VanDerWaalsContact O-N 3.09Å; W175-K178 HydrophobicContact CE3-CB 4.42Å; W175-K178 HydrophobicContact CE3-CD 3.8Å; W175-K178 HydrophobicContact CZ3-CD 3.89Å; W175-K178 PolarHBondContact O-N 2.97Å; I176-K178 PolarHBondContact O-N 2.72Å; K178-N180 PolarHBondContact O-N 3.38Å; K178-L523 HydrophobicContact CB-CD1 4.38Å
179	S	93.8	Very high	95.3	Very high	14 Å²	14	43 Å²	43	10%	0.098	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-0.8	172.5	80.2	0	0	0	0	113.1	W175 I176 I177 Y181 Q182 G183	W175-S179 PolarHBondContact O-N 2.88Å; I176-S179 WeakPolarHBondContact O-CB 3.21Å; I176-S179 PolarHBondContact O-N 2.77Å; I176-S179 VanDerWaalsContact O-N 3.11Å; I176-S179 PolarHBondContact O-OG 3.36Å; I177-S179 PolarHBondContact O-N 2.79Å; S179-Y181 PolarHBondContact O-N 3.31Å; S179-Y181 PolarHBondContact OG-N 2.82Å; S179-Q182 WeakPolarHBondContact O-CB 3.46Å; S179-Q182 VanDerWaalsContact O-CG 3.32Å; S179-Q182 WeakPolarHBondContact O-CG 3.5Å; S179-Q182 PolarHBondContact O-N 3.42Å; S179-Q182 PolarHBondContact OG-N 2.94Å; S179-G183 WeakPolarHBondContact CB-O 3.35Å; S179-G183 PolarHBondContact OG-N 2.83Å
180	N	95.2	Very high	95.6	Very high	117 Å²	117	43.3 Å²	43.3	63%	0.626	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	41.6	-168.3	-62.1	-45.2	0	0	0	112.1	I176 I177 K178 Q182	I176-N180 PolarHBondContact O-N 2.88Å; I177-N180 WeakPolarHBondContact O-CA 3.26Å; I177-N180 PolarHBondContact O-N 3.09Å; K178-N180 PolarHBondContact O-N 3.38Å; N180-Q182 PolarHBondContact O-N 3.46Å; N180-Q182 VanDerWaalsContact O-N 3.16Å; N180-Q182 PolarHBondContact O-NE2 2.87Å
181	Y	94.8	Very high	95.8	Very high	118 Å²	118	41.1 Å²	41.1	46%	0.463	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	35.4	-178.1	-57.4	-92.6	0	0	0	113	I176 I177 S179 G587	I176-Y181 HydrophobicContact CG2-CD1 3.7Å; I176-Y181 HydrophobicContact CG2-CE1 4.1Å; I176-Y181 HydrophobicContact CG2-CG 4.43Å; I176-Y181 PolarHBondContact O-N 2.94Å; I176-Y181 VanDerWaalsContact O-N 3.12Å; I177-Y181 HydrophobicContact CG1-CE1 4.48Å; I177-Y181 HydrophobicContact CG1-CE2 4.4Å; S179-Y181 PolarHBondContact O-N 3.31Å; S179-Y181 PolarHBondContact OG-N 2.82Å; Y181-G587 WeakPolarHBondContact O-CA 3.25Å
182	Q	95.8	Very high	96	Very high	151 Å²	151	38.6 Å²	38.6	71%	0.706	20%	0.195	S	C	*	.	S	Bend	trans	-95.2	-2.1	174.2	-62.3	-59	-67	0	0	112.8	S179 N180	S179-Q182 WeakPolarHBondContact O-CB 3.46Å; S179-Q182 VanDerWaalsContact O-CG 3.32Å; S179-Q182 WeakPolarHBondContact O-CG 3.5Å; S179-Q182 PolarHBondContact O-N 3.42Å; S179-Q182 PolarHBondContact OG-N 2.94Å; N180-Q182 PolarHBondContact O-N 3.46Å; N180-Q182 VanDerWaalsContact O-N 3.16Å; N180-Q182 PolarHBondContact O-NE2 2.87Å
183	G	95.8	Very high	96.1	Very high	12 Å²	12	38.6 Å²	38.6	12%	0.124	20%	0.195	C	C	.	.			trans	83.3	172.4	-173	0	0	0	0	0	113.1	S179 L584	S179-G183 WeakPolarHBondContact CB-O 3.35Å; S179-G183 PolarHBondContact OG-N 2.83Å; G183-L584 CarbonylContact C-O 3.54Å; G183-L584 WeakPolarHBondContact CA-O 3.41Å
184	L	97.5	Very high	96.3	Very high	7 Å²	7	41.1 Å²	41.1	4%	0.037	20%	0.202	C	C	.	.			trans	-101.6	155	177.9	-79.3	70.3	0	0	0	109.9	I176 L186 V189 I192 P522 L523 L584	I176-L184 HydrophobicContact CG1-CD1 4.13Å; L184-L186 PolarHBondContact O-N 2.87Å; L184-V189 HydrophobicContact CB-CG2 3.88Å; L184-I192 HydrophobicContact CD2-CD1 4Å; L184-P522 HydrophobicContact CD2-CB 4.05Å; L184-P522 HydrophobicContact CD2-CG 4.42Å; L184-L523 HydrophobicContact CG-CD2 4.21Å; L184-L584 HydrophobicContact CD1-CD2 4.29Å; L184-L584 PolarHBondContact N-O 3.03Å
185	P	97.6	Very high	96.5	Very high	35 Å²	35	40.1 Å²	40.1	23%	0.227	20%	0.198	C	C	.	.			trans	-55.7	134.7	173.6	-22	31	0	0	0	112.3	P187 C188 V189 P522 L523 P525	P185-P187 VanDerWaalsContact C-CD 3.43Å; P185-P187 VanDerWaalsContact C-N 3.35Å; P185-C188 WeakPolarHBondContact O-CA 3.36Å; P185-C188 VanDerWaalsContact O-CB 3.29Å; P185-C188 WeakPolarHBondContact O-CB 3.28Å; P185-C188 PolarHBondContact O-N 2.72Å; P185-V189 PolarHBondContact O-N 3.14Å; P185-P522 WeakPolarHBondContact CD-O 3.46Å; P185-L523 WeakPolarHBondContact CG-O 3.23Å; P185-P525 HydrophobicContact CB-CB 3.92Å; P185-P525 HydrophobicContact CG-CB 4.41Å
186	L	96.8	Very high	96.7	Very high	36 Å²	36	39.5 Å²	39.5	19%	0.188	20%	0.196	C	C	.	.	H	α-helix	trans	-52.7	-39.5	-177.2	-66.8	179.2	0	0	0	115.4	L184 C188 V189 K190 A585 W664 D668	L184-L186 PolarHBondContact O-N 2.87Å; L186-C188 VanDerWaalsContact C-N 3.26Å; L186-C188 PolarHBondContact O-N 2.85Å; L186-V189 PolarHBondContact O-N 2.75Å; L186-K190 WeakPolarHBondContact O-CG 3.27Å; L186-K190 PolarHBondContact O-N 3.48Å; L186-A585 HydrophobicContact CD2-CB 3.95Å; L186-W664 HydrophobicContact CD1-CE3 4.48Å; L186-W664 HydrophobicContact CD1-CH2 4.2Å; L186-W664 HydrophobicContact CD1-CZ3 4.03Å; L186-W664 HydrophobicContact CD2-CH2 3.39Å; L186-W664 HydrophobicContact CD2-CZ2 3.91Å; L186-W664 HydrophobicContact CD2-CZ3 3.98Å; L186-W664 HydrophobicContact CG-CH2 4.35Å; L186-D668 HydrophobicContact CD1-CB 4.21Å
187	P	97.3	Very high	96.9	Very high	63 Å²	63	39.5 Å²	39.5	41%	0.409	20%	0.196	S	C	.	.	H	α-helix	trans	-57.4	-39.7	174.2	-26.7	36.8	0	0	0	112.8	P185 S191 P525 A528	P185-P187 VanDerWaalsContact C-CD 3.43Å; P185-P187 VanDerWaalsContact C-N 3.35Å; P187-S191 PolarHBondContact O-N 3.17Å; P187-S191 VanDerWaalsContact O-N 3.14Å; P187-P525 HydrophobicContact CG-CB 4.48Å; P187-A528 HydrophobicContact CB-CB 3.74Å
188	C	97.9	Very high	97.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-68.8	-44.3	176.6	-59.2	0	0	0	0	111.1	P185 L186 K190 S191 I192 P522 I531	P185-C188 WeakPolarHBondContact O-CA 3.36Å; P185-C188 VanDerWaalsContact O-CB 3.29Å; P185-C188 WeakPolarHBondContact O-CB 3.28Å; P185-C188 PolarHBondContact O-N 2.72Å; L186-C188 VanDerWaalsContact C-N 3.26Å; L186-C188 PolarHBondContact O-N 2.85Å; C188-K190 VanDerWaalsContact C-N 3.35Å; C188-K190 PolarHBondContact O-N 3.3Å; C188-S191 PolarHBondContact O-N 3.35Å; C188-I192 VanDerWaalsContact O-CG1 3.28Å; C188-I192 WeakPolarHBondContact O-CG1 3.5Å; C188-I192 PolarHBondContact O-N 2.78Å; C188-P522 PolarHBondContact SG-O 3.38Å; C188-I531 HydrophobicContact CB-CD1 3.67Å
189	V	98.3	Very high	97.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-58.5	-46.4	177.1	-177.7	0	0	0	0	110.8	L184 P185 L186 S191 I192 I193 L584 A585 W698	L184-V189 HydrophobicContact CB-CG2 3.88Å; P185-V189 PolarHBondContact O-N 3.14Å; L186-V189 PolarHBondContact O-N 2.75Å; V189-S191 PolarHBondContact O-N 3.49Å; V189-I192 PolarHBondContact O-N 3.44Å; V189-I193 HydrophobicContact CG1-CG1 4.06Å; V189-I193 WeakPolarHBondContact O-CB 3.24Å; V189-I193 VanDerWaalsContact O-CG1 3.3Å; V189-I193 WeakPolarHBondContact O-CG1 3.28Å; V189-I193 PolarHBondContact O-N 2.86Å; V189-L584 HydrophobicContact CG1-CB 4.07Å; V189-L584 HydrophobicContact CG2-CB 4.15Å; V189-A585 HydrophobicContact CG1-CB 4.44Å; V189-A585 HydrophobicContact CG2-CB 4.39Å; V189-W698 HydrophobicContact CG1-CH2 4.25Å
190	K	98.1	Very high	97.7	Very high	22 Å²	22	34 Å²	34	10%	0.096	17%	0.169	C	C	.	.	H	α-helix	trans	-57.6	-46	175.8	-72.4	170	173.6	-175.5	0	112.2	L186 C188 R194 W698 S701	L186-K190 WeakPolarHBondContact O-CG 3.27Å; L186-K190 PolarHBondContact O-N 3.48Å; C188-K190 VanDerWaalsContact C-N 3.35Å; C188-K190 PolarHBondContact O-N 3.3Å; K190-R194 VanDerWaalsContact O-CB 3.31Å; K190-R194 WeakPolarHBondContact O-CB 3.36Å; K190-R194 PolarHBondContact O-N 3.13Å; K190-W698 HydrophobicContact CB-CH2 4.34Å; K190-W698 HydrophobicContact CB-CZ3 4.43Å; K190-W698 HydrophobicContact CD-CZ2 4.42Å; K190-W698 WeakPolarHBondContact CD-O 3.2Å; K190-W698 WeakPolarHBondContact CE-O 3.23Å; K190-W698 HydrophobicContact CG-CD2 4.06Å; K190-W698 HydrophobicContact CG-CE3 4.06Å; K190-W698 HydrophobicContact CG-CH2 3.52Å; K190-W698 HydrophobicContact CG-CZ2 3.5Å; K190-W698 HydrophobicContact CG-CZ3 3.8Å; K190-S701 VanDerWaalsContact NZ-C 3.34Å; K190-S701 PolarHBondContact NZ-O 3.09Å; K190-S701 PolarHBondContact NZ-OG 2.87Å
191	S	97.8	Very high	97.9	Very high	15 Å²	15	30.1 Å²	30.1	11%	0.105	15%	0.148	C	C	.	.	H	α-helix	trans	-61.7	-44.6	178.5	-176.1	0	0	0	0	112.3	P187 C188 V189 Q195 A528	P187-S191 PolarHBondContact O-N 3.17Å; P187-S191 VanDerWaalsContact O-N 3.14Å; C188-S191 PolarHBondContact O-N 3.35Å; V189-S191 PolarHBondContact O-N 3.49Å; S191-Q195 WeakPolarHBondContact O-CG 3.4Å; S191-Q195 PolarHBondContact O-N 2.94Å; S191-Q195 PolarHBondContact O-NE2 2.88Å; S191-Q195 PolarHBondContact OG-NE2 3.07Å; S191-A528 WeakPolarHBondContact CB-O 3.42Å; S191-A528 PolarHBondContact OG-O 2.79Å
192	I	98.5	Very high	98	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63.6	-53.8	177.8	-69.9	166.3	0	0	0	110.5	L172 L184 C188 V189 R194 Q195 V196 I531 V533 L584	L172-I192 HydrophobicContact CD1-CD1 4.4Å; L172-I192 HydrophobicContact CD1-CG2 3.52Å; L172-I192 HydrophobicContact CD2-CD1 4.02Å; L184-I192 HydrophobicContact CD2-CD1 4Å; C188-I192 VanDerWaalsContact O-CG1 3.28Å; C188-I192 WeakPolarHBondContact O-CG1 3.5Å; C188-I192 PolarHBondContact O-N 2.78Å; V189-I192 PolarHBondContact O-N 3.44Å; I192-R194 VanDerWaalsContact C-N 3.29Å; I192-R194 PolarHBondContact O-N 3.1Å; I192-Q195 PolarHBondContact O-N 3.27Å; I192-Q195 VanDerWaalsContact O-N 3.1Å; I192-V196 HydrophobicContact CG2-CG2 4.42Å; I192-V196 WeakPolarHBondContact O-CG2 3.48Å; I192-V196 PolarHBondContact O-N 3.07Å; I192-I531 HydrophobicContact CD1-CG2 4.43Å; I192-I531 HydrophobicContact CG1-CG2 3.83Å; I192-V533 HydrophobicContact CG1-CG1 4.15Å; I192-V533 HydrophobicContact CG2-CG2 4.36Å; I192-L584 HydrophobicContact CG2-CD1 4.01Å
193	I	98.7	Very high	98.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-63.7	-35.6	-176.5	-65.4	-58.5	0	0	0	111.5	V189 Q195 V196 L197 T577 M580 A581 L584 F675 L699	V189-I193 HydrophobicContact CG1-CG1 4.06Å; V189-I193 WeakPolarHBondContact O-CB 3.24Å; V189-I193 VanDerWaalsContact O-CG1 3.3Å; V189-I193 WeakPolarHBondContact O-CG1 3.28Å; V189-I193 PolarHBondContact O-N 2.86Å; I193-Q195 PolarHBondContact O-N 2.84Å; I193-V196 PolarHBondContact O-N 3.45Å; I193-L197 HydrophobicContact CG2-CD1 3.84Å; I193-L197 HydrophobicContact CG2-CG 4.25Å; I193-L197 WeakPolarHBondContact O-CB 3.45Å; I193-L197 VanDerWaalsContact O-CG 3.28Å; I193-L197 WeakPolarHBondContact O-CG 3.48Å; I193-L197 PolarHBondContact O-N 2.84Å; I193-T577 HydrophobicContact CD1-CG2 4.35Å; I193-T577 HydrophobicContact CG2-CG2 4.45Å; I193-M580 HydrophobicContact CD1-CE 3.99Å; I193-A581 HydrophobicContact CD1-CB 3.66Å; I193-A581 HydrophobicContact CG1-CB 3.81Å; I193-L584 HydrophobicContact CD1-CD1 4.11Å; I193-F675 HydrophobicContact CG2-CE1 3.99Å; I193-F675 HydrophobicContact CG2-CZ 3.9Å; I193-L699 HydrophobicContact CB-CD2 4.48Å; I193-L699 HydrophobicContact CG2-CD2 4.28Å
194	R	98.7	Very high	98.3	Very high	82 Å²	82	17.5 Å²	17.5	31%	0.309	9%	0.09	S	C	.	.	H	α-helix	trans	-57.8	-47.5	172.8	-166.4	-161.1	-44.1	-91.8	3.5	111.6	K190 I192 L197 Q198 L694 L699	K190-R194 VanDerWaalsContact O-CB 3.31Å; K190-R194 WeakPolarHBondContact O-CB 3.36Å; K190-R194 PolarHBondContact O-N 3.13Å; I192-R194 VanDerWaalsContact C-N 3.29Å; I192-R194 PolarHBondContact O-N 3.1Å; R194-L197 PolarHBondContact O-N 2.92Å; R194-Q198 WeakPolarHBondContact O-CG 3.27Å; R194-Q198 PolarHBondContact O-N 3.41Å; R194-L694 HydrophobicContact CG-CD2 3.97Å; R194-L694 WeakPolarHBondContact O-CD2 3.39Å; R194-L699 HydrophobicContact CB-CD1 4.49Å; R194-L699 HydrophobicContact CB-CD2 4.2Å; R194-L699 HydrophobicContact CG-CD1 4.42Å; R194-L699 PolarHBondContact NH1-O 2.86Å; R194-L699 VanDerWaalsContact NH1-O 3.12Å; R194-L699 PolarHBondContact NH2-O 2.87Å
195	Q	98.6	Very high	98.4	Very high	11 Å²	11	19.8 Å²	19.8	5%	0.051	11%	0.105	C	C	.	.	H	α-helix	trans	-68.6	-38.5	-179	-72	176	80.3	0	0	112.1	M143 S191 I192 I193 Q198 G199 I531 R532 V533	M143-Q195 WeakPolarHBondContact CB-O 3.25Å; M143-Q195 HydrophobicContact SD-CB 4.01Å; M143-Q195 HydrophobicContact SD-CG 3.97Å; S191-Q195 WeakPolarHBondContact O-CG 3.4Å; S191-Q195 PolarHBondContact O-N 2.94Å; S191-Q195 PolarHBondContact O-NE2 2.88Å; S191-Q195 PolarHBondContact OG-NE2 3.07Å; I192-Q195 PolarHBondContact O-N 3.27Å; I192-Q195 VanDerWaalsContact O-N 3.1Å; I193-Q195 PolarHBondContact O-N 2.84Å; Q195-Q198 WeakPolarHBondContact O-CB 3.5Å; Q195-Q198 PolarHBondContact O-N 3.27Å; Q195-G199 PolarHBondContact O-N 3.37Å; Q195-I531 PolarHBondContact NE2-O 3.35Å; Q195-R532 VanDerWaalsContact OE1-CA 3.29Å; Q195-R532 VanDerWaalsContact OE1-NE 3.13Å; Q195-V533 HydrophobicContact CB-CG2 3.53Å; Q195-V533 HydrophobicContact CG-CG2 4.4Å; Q195-V533 VanDerWaalsContact OE1-N 3.11Å
196	V	98.8	Very high	98.4	Very high	1 Å²	1	22 Å²	22	1%	0.006	11%	0.111	C	C	.	.	H	α-helix	trans	-61.1	-46	172.7	174.7	0	0	0	0	110.8	I192 I193 Q198 G199 L200 I219 V533 I535 T577 M580	I192-V196 HydrophobicContact CG2-CG2 4.42Å; I192-V196 WeakPolarHBondContact O-CG2 3.48Å; I192-V196 PolarHBondContact O-N 3.07Å; I193-V196 PolarHBondContact O-N 3.45Å; V196-Q198 VanDerWaalsContact C-N 3.33Å; V196-Q198 PolarHBondContact O-N 2.83Å; V196-G199 PolarHBondContact O-N 2.57Å; V196-L200 HydrophobicContact CG1-CD1 4.17Å; V196-L200 HydrophobicContact CG1-CG 4.44Å; V196-L200 WeakPolarHBondContact O-CG 3.44Å; V196-L200 PolarHBondContact O-N 3.28Å; V196-I219 HydrophobicContact CG1-CD1 4.35Å; V196-I219 HydrophobicContact CG2-CD1 3.89Å; V196-I219 HydrophobicContact CG2-CG1 4.14Å; V196-I219 HydrophobicContact CG2-CG2 4.01Å; V196-V533 HydrophobicContact CG2-CG2 4.46Å; V196-I535 HydrophobicContact CG1-CD1 4.38Å; V196-I535 HydrophobicContact CG1-CG1 4.5Å; V196-T577 HydrophobicContact CG1-CG2 4.11Å; V196-M580 HydrophobicContact CB-CE 4.5Å; V196-M580 HydrophobicContact CG1-CE 4.01Å; V196-M580 HydrophobicContact CG2-CE 4.1Å
197	L	98.9	Very high	98.4	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-64.7	-35.8	177.4	-71.3	168.9	0	0	0	112.4	I193 R194 L200 D201 I574 T577 F675 M679 A690 C693 L694 L699	I193-L197 HydrophobicContact CG2-CD1 3.84Å; I193-L197 HydrophobicContact CG2-CG 4.25Å; I193-L197 WeakPolarHBondContact O-CB 3.45Å; I193-L197 VanDerWaalsContact O-CG 3.28Å; I193-L197 WeakPolarHBondContact O-CG 3.48Å; I193-L197 PolarHBondContact O-N 2.84Å; R194-L197 PolarHBondContact O-N 2.92Å; L197-L200 PolarHBondContact O-N 2.61Å; L197-D201 WeakPolarHBondContact O-CB 3.27Å; L197-D201 PolarHBondContact O-N 3.24Å; L197-I574 HydrophobicContact CD2-CD1 4.24Å; L197-T577 HydrophobicContact CD2-CG2 4.17Å; L197-T577 HydrophobicContact CG-CG2 4.45Å; L197-F675 HydrophobicContact CD1-CE2 4.47Å; L197-F675 HydrophobicContact CD1-CZ 3.97Å; L197-M679 HydrophobicContact CD2-CE 4.25Å; L197-A690 HydrophobicContact CD2-CB 4.33Å; L197-C693 HydrophobicContact CD1-CB 3.61Å; L197-C693 HydrophobicContact CD2-CB 4.01Å; L197-C693 HydrophobicContact CG-CB 4.43Å; L197-L694 HydrophobicContact CB-CD2 3.7Å; L197-L694 HydrophobicContact CB-CG 3.94Å; L197-L699 HydrophobicContact CD1-CD1 3.95Å
198	Q	98.8	Very high	98.5	Very high	45 Å²	45	22.4 Å²	22.4	21%	0.21	11%	0.105	C	C	.	.	H	α-helix	trans	-59.4	-48.4	171.4	-75.9	168.3	-24	0	0	111.3	N140 M143 R194 Q195 V196 L200 D201 Y202 L694	N140-Q198 HydrophobicContact CB-CB 4.39Å; N140-Q198 WeakPolarHBondContact CB-O 3.33Å; M143-Q198 HydrophobicContact CB-CB 4.48Å; M143-Q198 HydrophobicContact CG-CB 3.86Å; R194-Q198 WeakPolarHBondContact O-CG 3.27Å; R194-Q198 PolarHBondContact O-N 3.41Å; Q195-Q198 WeakPolarHBondContact O-CB 3.5Å; Q195-Q198 PolarHBondContact O-N 3.27Å; V196-Q198 VanDerWaalsContact C-N 3.33Å; V196-Q198 PolarHBondContact O-N 2.83Å; Q198-L200 PolarHBondContact O-N 2.71Å; Q198-D201 PolarHBondContact O-N 3.28Å; Q198-Y202 PolarHBondContact O-N 2.96Å; Q198-Y202 VanDerWaalsContact O-N 3.1Å; Q198-L694 HydrophobicContact CG-CD1 4.08Å; Q198-L694 HydrophobicContact CG-CD2 3.79Å
199	G	98.8	Very high	98.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.5	-43.5	176.9	0	0	0	0	0	112.7	Q195 V196 Y202 L203	Q195-G199 PolarHBondContact O-N 3.37Å; V196-G199 PolarHBondContact O-N 2.57Å; G199-Y202 PolarHBondContact O-N 3.43Å; G199-L203 WeakPolarHBondContact O-CG 3.41Å; G199-L203 PolarHBondContact O-N 3Å
200	L	98.8	Very high	98.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-64.7	-41.1	176.4	-73	178.7	0	0	0	112.4	V196 L197 Q198 Y202 L203 H204 H211 I214 I535 D573 I574 T577 A690	V196-L200 HydrophobicContact CG1-CD1 4.17Å; V196-L200 HydrophobicContact CG1-CG 4.44Å; V196-L200 WeakPolarHBondContact O-CG 3.44Å; V196-L200 PolarHBondContact O-N 3.28Å; L197-L200 PolarHBondContact O-N 2.61Å; Q198-L200 PolarHBondContact O-N 2.71Å; L200-Y202 VanDerWaalsContact C-N 3.29Å; L200-Y202 PolarHBondContact O-N 2.82Å; L200-L203 HydrophobicContact CD2-CD1 4.36Å; L200-L203 PolarHBondContact O-N 2.86Å; L200-H204 VanDerWaalsContact O-CB 3.28Å; L200-H204 WeakPolarHBondContact O-CB 3.3Å; L200-H204 PolarHBondContact O-CD2 3.48Å; L200-H204 PolarHBondContact O-N 3.02Å; L200-H211 HydrophobicContact CD2-CB 4.46Å; L200-I214 HydrophobicContact CD2-CD1 3.95Å; L200-I214 HydrophobicContact CD2-CG1 4.14Å; L200-I535 HydrophobicContact CD2-CD1 3.98Å; L200-I535 HydrophobicContact CG-CD1 3.88Å; L200-D573 HydrophobicContact CD1-CB 4.19Å; L200-D573 HydrophobicContact CD2-CB 3.89Å; L200-I574 HydrophobicContact CD1-CD1 4.35Å; L200-T577 WeakPolarHBondContact CD1-OG1 3.38Å; L200-A690 HydrophobicContact CB-CB 4.1Å
201	D	98.8	Very high	98.6	Very high	34 Å²	34	21.4 Å²	21.4	18%	0.182	10%	0.101	C	C	.	.	H	α-helix	trans	-59.4	-42.6	176	-170.2	57.5	0	0	0	110.8	L197 Q198 T205 A690 G691 L694	L197-D201 WeakPolarHBondContact O-CB 3.27Å; L197-D201 PolarHBondContact O-N 3.24Å; Q198-D201 PolarHBondContact O-N 3.28Å; D201-T205 VanDerWaalsContact O-CB 3.23Å; D201-T205 WeakPolarHBondContact O-CB 3.45Å; D201-T205 VanDerWaalsContact O-CG2 3.26Å; D201-T205 WeakPolarHBondContact O-CG2 3.28Å; D201-T205 PolarHBondContact O-N 2.89Å; D201-T205 PolarHBondContact O-OG1 2.92Å; D201-T205 WeakPolarHBondContact OD1-CG2 3.21Å; D201-A690 HydrophobicContact CB-CB 3.77Å; D201-G691 PolarHBondContact OD1-N 2.97Å; D201-L694 HydrophobicContact CB-CD1 4.23Å
202	Y	98.8	Very high	98.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-62	-49.4	173.7	-177.8	-102.9	0	0	0	112.5	V131 D135 D138 K141 Q198 G199 L200 H204 K206 C207	V131-Y202 HydrophobicContact CG1-CE1 4Å; V131-Y202 VanDerWaalsContact O-CE1 3.29Å; V131-Y202 WeakPolarHBondContact O-CE1 3.49Å; V131-Y202 PolarHBondContact O-OH 3.23Å; D135-Y202 HydrophobicContact CB-CE2 4.1Å; D135-Y202 PolarHBondContact N-OH 2.86Å; D135-Y202 PolarHBondContact O-OH 3.17Å; D138-Y202 HydrophobicContact CB-CD2 3.9Å; D138-Y202 HydrophobicContact CB-CE2 3.78Å; K141-Y202 HydrophobicContact CB-CD1 4.04Å; K141-Y202 HydrophobicContact CB-CD2 4.13Å; K141-Y202 HydrophobicContact CB-CE1 3.62Å; K141-Y202 HydrophobicContact CB-CE2 3.74Å; K141-Y202 HydrophobicContact CB-CG 4.28Å; K141-Y202 VanDerWaalsContact CB-CZ 3.48Å; Q198-Y202 PolarHBondContact O-N 2.96Å; Q198-Y202 VanDerWaalsContact O-N 3.1Å; G199-Y202 PolarHBondContact O-N 3.43Å; L200-Y202 VanDerWaalsContact C-N 3.29Å; L200-Y202 PolarHBondContact O-N 2.82Å; Y202-H204 PolarHBondContact O-N 3.07Å; Y202-K206 HydrophobicContact CD2-CB 3.97Å; Y202-K206 HydrophobicContact CD2-CG 3.61Å; Y202-K206 HydrophobicContact CE2-CB 3.88Å; Y202-K206 HydrophobicContact CE2-CG 3.81Å; Y202-K206 HydrophobicContact CG-CG 4.46Å; Y202-K206 WeakPolarHBondContact O-CB 3.25Å; Y202-K206 PolarHBondContact O-N 3.26Å; Y202-C207 WeakPolarHBondContact CE1-SG 3.34Å; Y202-C207 PolarHBondContact O-N 3.25Å
203	L	98.8	Very high	98.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.098	C	C	.	.	I	π-helix	trans	-58.9	-45.5	178.8	-71.2	176.4	0	0	0	112.1	V131 V144 G199 L200 C207 K208 I209 I535	V131-L203 HydrophobicContact CG2-CD2 3.56Å; V144-L203 HydrophobicContact CG1-CD2 4.32Å; V144-L203 HydrophobicContact CG2-CD1 4.24Å; V144-L203 HydrophobicContact CG2-CD2 4.23Å; V144-L203 HydrophobicContact CG2-CG 4.01Å; G199-L203 WeakPolarHBondContact O-CG 3.41Å; G199-L203 PolarHBondContact O-N 3Å; L200-L203 HydrophobicContact CD2-CD1 4.36Å; L200-L203 PolarHBondContact O-N 2.86Å; L203-C207 CarbonylContact O-C 3.57Å; L203-C207 WeakPolarHBondContact O-CB 3.28Å; L203-C207 PolarHBondContact O-N 3.24Å; L203-K208 PolarHBondContact O-N 3.17Å; L203-I209 HydrophobicContact CD2-CB 4.4Å; L203-I209 HydrophobicContact CD2-CG2 4.39Å; L203-I209 PolarHBondContact O-N 2.85Å; L203-I535 HydrophobicContact CD1-CD1 4.32Å
204	H	98.7	Very high	98.6	Very high	16 Å²	16	21.2 Å²	21.2	7%	0.074	10%	0.098	C	C	.	.	I	π-helix	trans	-75.4	-44.6	-175.4	-64.4	178.4	0	0	0	111.9	L200 Y202 K208 I209 T570 D573	L200-H204 VanDerWaalsContact O-CB 3.28Å; L200-H204 WeakPolarHBondContact O-CB 3.3Å; L200-H204 PolarHBondContact O-CD2 3.48Å; L200-H204 PolarHBondContact O-N 3.02Å; Y202-H204 PolarHBondContact O-N 3.07Å; H204-K208 WeakPolarHBondContact O-CD 3.48Å; H204-I209 PolarHBondContact CD2-O 2.83Å; H204-I209 VanDerWaalsContact CD2-O 3.28Å; H204-T570 HydrophobicContact CB-CG2 3.86Å; H204-T570 PolarHBondContact CE1-O 2.94Å; H204-T570 VanDerWaalsContact CE1-O 3.23Å; H204-D573 IonicContact CD2-OD2 3.98Å; H204-D573 IonicContact CE1-OD2 2.72Å; H204-D573 IonicContact NE2-OD2 3.73Å; H204-D573 PolarHBondContact NE2-OD2 3.32Å
205	T	98.3	Very high	98.6	Very high	56 Å²	56	18.7 Å²	18.7	34%	0.344	9%	0.09	S	C	.	.	I	π-helix	trans	-86.6	-44.3	-171.5	68.2	0	0	0	0	112.6	D201 K208	D201-T205 VanDerWaalsContact O-CB 3.23Å; D201-T205 WeakPolarHBondContact O-CB 3.45Å; D201-T205 VanDerWaalsContact O-CG2 3.26Å; D201-T205 WeakPolarHBondContact O-CG2 3.28Å; D201-T205 PolarHBondContact O-N 2.89Å; D201-T205 PolarHBondContact O-OG1 2.92Å; D201-T205 WeakPolarHBondContact OD1-CG2 3.21Å; T205-K208 WeakPolarHBondContact O-CE 3.3Å; T205-K208 PolarHBondContact O-NZ 2.98Å
206	K	98.1	Very high	98.5	Very high	80 Å²	80	18.1 Å²	18.1	35%	0.348	9%	0.087	S	C	.	.	I	π-helix	trans	-91	-50.4	-176.5	-51.1	-55.4	179.1	106.3	0	111.6	D135 D138 Y202	D135-K206 HydrophobicContact CB-CB 4.44Å; D135-K206 HydrophobicContact CB-CD 4.4Å; D135-K206 HydrophobicContact CB-CG 4.29Å; D135-K206 IonicContact OD2-NZ 3.44Å; D135-K206 PolarHBondContact OD2-NZ 2.87Å; D138-K206 WeakPolarHBondContact OD2-CE 3.33Å; D138-K206 IonicContact OD2-NZ 3.81Å; D138-K206 PolarHBondContact OD2-NZ 2.88Å; Y202-K206 HydrophobicContact CD2-CB 3.97Å; Y202-K206 HydrophobicContact CD2-CG 3.61Å; Y202-K206 HydrophobicContact CE2-CB 3.88Å; Y202-K206 HydrophobicContact CE2-CG 3.81Å; Y202-K206 HydrophobicContact CG-CG 4.46Å; Y202-K206 WeakPolarHBondContact O-CB 3.25Å; Y202-K206 PolarHBondContact O-N 3.26Å
207	C	98.2	Very high	98.4	Very high	3 Å²	3	20.8 Å²	20.8	2%	0.02	10%	0.099	C	C	.	.	I	π-helix	trans	-84.9	-22.4	-172.6	-50.3	0	0	0	0	113.4	Y202 L203 I209 W543	Y202-C207 WeakPolarHBondContact CE1-SG 3.34Å; Y202-C207 PolarHBondContact O-N 3.25Å; L203-C207 CarbonylContact O-C 3.57Å; L203-C207 WeakPolarHBondContact O-CB 3.28Å; L203-C207 PolarHBondContact O-N 3.24Å; C207-I209 VanDerWaalsContact C-N 3.26Å; C207-I209 HydrophobicContact CB-CB 4.21Å; C207-I209 HydrophobicContact CB-CD1 3.73Å; C207-I209 HydrophobicContact CB-CG1 3.84Å; C207-I209 PolarHBondContact O-N 3.29Å; C207-W543 WeakPolarHBondContact O-CZ3 3.09Å
208	K	98.4	Very high	98.3	Very high	106 Å²	106	21.4 Å²	21.4	46%	0.461	10%	0.103	S	C	.	.			trans	56.9	41	-170.4	-50.9	-49.7	-170.8	-164.8	0	112.3	L203 H204 T205 W543 V544	L203-K208 PolarHBondContact O-N 3.17Å; H204-K208 WeakPolarHBondContact O-CD 3.48Å; T205-K208 WeakPolarHBondContact O-CE 3.3Å; T205-K208 PolarHBondContact O-NZ 2.98Å; K208-W543 WeakPolarHBondContact O-CA 3.4Å; K208-V544 HydrophobicContact CB-CB 4.47Å; K208-V544 HydrophobicContact CB-CG2 4.39Å; K208-V544 WeakPolarHBondContact O-CG2 3.42Å; K208-V544 PolarHBondContact O-N 3.46Å
209	I	98.7	Very high	98.3	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	143.1	177.8	-67.6	174.3	0	0	0	108.9	L127 C130 V131 L203 H204 C207 A541 C542 W543	L127-I209 HydrophobicContact CB-CD1 4.26Å; L127-I209 HydrophobicContact CD2-CD1 3.69Å; L127-I209 HydrophobicContact CD2-CG1 3.77Å; L127-I209 HydrophobicContact CD2-CG2 4.23Å; C130-I209 HydrophobicContact CB-CD1 4.4Å; V131-I209 HydrophobicContact CG2-CD1 3.9Å; L203-I209 HydrophobicContact CD2-CB 4.4Å; L203-I209 HydrophobicContact CD2-CG2 4.39Å; L203-I209 PolarHBondContact O-N 2.85Å; H204-I209 PolarHBondContact CD2-O 2.83Å; H204-I209 VanDerWaalsContact CD2-O 3.28Å; C207-I209 VanDerWaalsContact C-N 3.26Å; C207-I209 HydrophobicContact CB-CB 4.21Å; C207-I209 HydrophobicContact CB-CD1 3.73Å; C207-I209 HydrophobicContact CB-CG1 3.84Å; C207-I209 PolarHBondContact O-N 3.29Å; I209-A541 HydrophobicContact CG2-CB 4.07Å; I209-C542 CarbonylContact C-O 3.6Å; I209-C542 WeakPolarHBondContact CA-O 3.29Å; I209-W543 HydrophobicContact CD1-CZ3 4.36Å; I209-W543 HydrophobicContact CG1-CD2 4.32Å; I209-W543 HydrophobicContact CG1-CE3 3.81Å; I209-W543 HydrophobicContact CG1-CZ3 4Å
210	I	98.8	Very high	98.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	127.5	168.1	-49.4	167.2	0	0	0	106	T212 A541 C542 V544 Y568 T570	I210-T212 HydrophobicContact CB-CG2 4.04Å; I210-T212 HydrophobicContact CG2-CG2 3.71Å; I210-A541 CarbonylContact O-C 3.21Å; I210-A541 VanDerWaalsContact O-CA 3.27Å; I210-A541 WeakPolarHBondContact O-CA 3.2Å; I210-A541 WeakPolarHBondContact O-CB 3.01Å; I210-C542 PolarHBondContact N-O 3.3Å; I210-C542 PolarHBondContact O-N 2.82Å; I210-V544 HydrophobicContact CD1-CG2 4.09Å; I210-V544 HydrophobicContact CG1-CG2 3.69Å; I210-Y568 HydrophobicContact CD1-CD2 4.03Å; I210-Y568 HydrophobicContact CD1-CE2 3.97Å; I210-T570 HydrophobicContact CG1-CG2 4.11Å
211	H	98.8	Very high	98.1	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	10%	0.104	C	C	.	.			trans	-71.5	-41	-177.6	-172.2	-86.2	0	0	0	111.7	L200 D213 I214 I535 A536 D537 A541 D573	L200-H211 HydrophobicContact CD2-CB 4.46Å; H211-D213 PolarHBondContact CE1-O 3.15Å; H211-D213 VanDerWaalsContact CE1-O 3.31Å; H211-D213 VanDerWaalsContact ND1-C 3.29Å; H211-D213 PolarHBondContact ND1-N 2.85Å; H211-D213 PolarHBondContact ND1-O 3.49Å; H211-D213 PolarHBondContact O-N 3.34Å; H211-D213 VanDerWaalsContact O-N 3.09Å; H211-I214 HydrophobicContact CB-CD1 3.9Å; H211-I214 HydrophobicContact CB-CG1 4.03Å; H211-I214 WeakPolarHBondContact ND1-CD1 3.37Å; H211-I214 PolarHBondContact ND1-N 3.42Å; H211-I535 VanDerWaalsContact CD2-CG2 3.47Å; H211-I535 WeakPolarHBondContact CD2-CG2 3.48Å; H211-I535 WeakPolarHBondContact NE2-CG2 3.4Å; H211-A536 PolarHBondContact NE2-O 3Å; H211-A536 VanDerWaalsContact NE2-O 3.11Å; H211-D537 PolarHBondContact CE1-O 3.22Å; H211-D537 PolarHBondContact NE2-O 3.01Å; H211-A541 VanDerWaalsContact O-CA 3.3Å; H211-A541 WeakPolarHBondContact O-CA 3.41Å; H211-A541 PolarHBondContact O-N 2.98Å; H211-D573 PolarHBondContact N-OD1 3.33Å; H211-D573 PolarHBondContact N-OD2 3.35Å
212	T	98.4	Very high	98	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.006	11%	0.106	C	C	.	.			trans	67.7	-7.9	176.5	79.1	0	0	0	0	116.7	I210 N540 I552 Q553 Y568 D573	I210-T212 HydrophobicContact CB-CG2 4.04Å; I210-T212 HydrophobicContact CG2-CG2 3.71Å; T212-N540 PolarHBondContact OG1-O 3.12Å; T212-I552 HydrophobicContact CG2-CD1 4.09Å; T212-I552 HydrophobicContact CG2-CG2 4.3Å; T212-Q553 WeakPolarHBondContact O-CA 3.39Å; T212-Q553 WeakPolarHBondContact O-CG 3.45Å; T212-Q553 PolarHBondContact O-N 3.21Å; T212-Y568 HydrophobicContact CG2-CE2 4.22Å; T212-D573 PolarHBondContact N-OD1 3.47Å
213	D	98	Very high	97.8	Very high	9 Å²	9	22.5 Å²	22.5	5%	0.048	11%	0.113	C	C	.	.			trans	-142.4	52.7	177.6	-162.1	35.1	0	0	0	112.8	H211 K215 N218 N540 T554	H211-D213 PolarHBondContact CE1-O 3.15Å; H211-D213 VanDerWaalsContact CE1-O 3.31Å; H211-D213 VanDerWaalsContact ND1-C 3.29Å; H211-D213 PolarHBondContact ND1-N 2.85Å; H211-D213 PolarHBondContact ND1-O 3.49Å; H211-D213 PolarHBondContact O-N 3.34Å; H211-D213 VanDerWaalsContact O-N 3.09Å; D213-K215 PolarHBondContact O-N 2.88Å; D213-K215 IonicContact OD1-NZ 3.63Å; D213-K215 WeakPolarHBondContact OD2-CE 3.39Å; D213-K215 IonicContact OD2-NZ 3.1Å; D213-K215 PolarHBondContact OD2-NZ 3.11Å; D213-N218 PolarHBondContact O-ND2 3.16Å; D213-N218 PolarHBondContact OD2-ND2 3.38Å; D213-N540 HydrophobicContact CB-CB 4.31Å; D213-T554 WeakPolarHBondContact OD1-CB 3.41Å; D213-T554 PolarHBondContact OD1-N 3.19Å; D213-T554 VanDerWaalsContact OD1-N 3.08Å; D213-T554 PolarHBondContact OD1-OG1 3.31Å
214	I	98.6	Very high	97.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.139	C	C	.	.			trans	-74.2	123	174.4	-64	-66.6	0	0	0	109.8	L200 H211 I535 D573 S576 M580	L200-I214 HydrophobicContact CD2-CD1 3.95Å; L200-I214 HydrophobicContact CD2-CG1 4.14Å; H211-I214 HydrophobicContact CB-CD1 3.9Å; H211-I214 HydrophobicContact CB-CG1 4.03Å; H211-I214 WeakPolarHBondContact ND1-CD1 3.37Å; H211-I214 PolarHBondContact ND1-N 3.42Å; I214-I535 HydrophobicContact CD1-CD1 4.39Å; I214-I535 HydrophobicContact CD1-CG2 3.94Å; I214-D573 HydrophobicContact CG1-CB 4.27Å; I214-S576 WeakPolarHBondContact O-CB 3.45Å; I214-M580 HydrophobicContact CG2-CE 3.86Å; I214-M580 HydrophobicContact CG2-SD 4.21Å
215	K	98.1	Very high	96.8	Very high	29 Å²	29	30.6 Å²	30.6	13%	0.126	16%	0.157	C	C	.	.	S	Bend	trans	-165.3	162.7	179.9	61.6	-173.9	-176.5	-153.8	0	110.3	D213 E217 N218 T554 Y557 M580	D213-K215 PolarHBondContact O-N 2.88Å; D213-K215 IonicContact OD1-NZ 3.63Å; D213-K215 WeakPolarHBondContact OD2-CE 3.39Å; D213-K215 IonicContact OD2-NZ 3.1Å; D213-K215 PolarHBondContact OD2-NZ 3.11Å; K215-E217 WeakPolarHBondContact CB-OE2 3.34Å; K215-E217 HydrophobicContact CD-CB 4.49Å; K215-E217 WeakPolarHBondContact CD-OE2 3.45Å; K215-E217 HydrophobicContact CG-CB 4.28Å; K215-E217 VanDerWaalsContact CG-OE2 3.29Å; K215-E217 WeakPolarHBondContact CG-OE2 3.43Å; K215-E217 PolarHBondContact O-N 3.26Å; K215-E217 VanDerWaalsContact O-N 3.11Å; K215-N218 HydrophobicContact CG-CB 4.31Å; K215-N218 PolarHBondContact O-N 3.23Å; K215-T554 HydrophobicContact CD-CG2 4.32Å; K215-T554 WeakPolarHBondContact CD-OG1 3.4Å; K215-T554 PolarHBondContact NZ-OG1 2.99Å; K215-Y557 HydrophobicContact CB-CD1 4.38Å; K215-Y557 HydrophobicContact CB-CD2 3.9Å; K215-Y557 HydrophobicContact CB-CE1 4.11Å; K215-Y557 HydrophobicContact CB-CE2 3.59Å; K215-Y557 HydrophobicContact CB-CG 4.27Å; K215-Y557 HydrophobicContact CD-CE2 4.47Å; K215-M580 VanDerWaalsContact C-SD 3.51Å
216	P	98.1	Very high	96.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-53.1	-31.2	-178.1	-27.2	35.4	0	0	0	115.4	L172 L173 I176 N218 I219 Y557 M580	L172-P216 HydrophobicContact CB-CB 3.99Å; L172-P216 WeakPolarHBondContact CB-O 3.3Å; L172-P216 PolarHBondContact N-O 3.4Å; L173-P216 HydrophobicContact CB-CB 4.06Å; L173-P216 PolarHBondContact N-O 3.16Å; I176-P216 HydrophobicContact CD1-CB 3.82Å; I176-P216 HydrophobicContact CD1-CG 3.73Å; P216-N218 VanDerWaalsContact C-N 3.29Å; P216-N218 PolarHBondContact O-N 2.81Å; P216-I219 PolarHBondContact O-N 2.89Å; P216-Y557 WeakPolarHBondContact CD-OH 3.39Å; P216-M580 HydrophobicContact CG-CG 3.94Å; P216-M580 HydrophobicContact CG-SD 4.39Å
217	E	95.4	Very high	96	Very high	56 Å²	56	28.6 Å²	28.6	26%	0.262	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-67.2	-29.1	178.3	-57.4	96	117.6	0	0	112.8	H171 L173 K215	H171-E217 VanDerWaalsContact CB-O 3.22Å; H171-E217 WeakPolarHBondContact CB-O 3.37Å; L173-E217 HydrophobicContact CB-CG 3.95Å; L173-E217 HydrophobicContact CD2-CG 3.52Å; L173-E217 HydrophobicContact CG-CG 4.37Å; K215-E217 WeakPolarHBondContact CB-OE2 3.34Å; K215-E217 HydrophobicContact CD-CB 4.49Å; K215-E217 WeakPolarHBondContact CD-OE2 3.45Å; K215-E217 HydrophobicContact CG-CB 4.28Å; K215-E217 VanDerWaalsContact CG-OE2 3.29Å; K215-E217 WeakPolarHBondContact CG-OE2 3.43Å; K215-E217 PolarHBondContact O-N 3.26Å; K215-E217 VanDerWaalsContact O-N 3.11Å
218	N	97.4	Very high	95.6	Very high	13 Å²	13	28.8 Å²	28.8	7%	0.07	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-97.1	4.1	-176.9	-69.5	-12.8	0	0	0	112.7	D213 K215 P216 A536	D213-N218 PolarHBondContact O-ND2 3.16Å; D213-N218 PolarHBondContact OD2-ND2 3.38Å; K215-N218 HydrophobicContact CG-CB 4.31Å; K215-N218 PolarHBondContact O-N 3.23Å; P216-N218 VanDerWaalsContact C-N 3.29Å; P216-N218 PolarHBondContact O-N 2.81Å; N218-A536 PolarHBondContact O-N 3.16Å
219	I	98.4	Very high	95	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	113.3	173.1	-52.1	-53.5	0	0	0	108.8	H171 L172 V196 P216 V533 I535 M580	H171-I219 CarbonylContact C-O 3.57Å; H171-I219 VanDerWaalsContact CA-O 3.24Å; H171-I219 WeakPolarHBondContact CA-O 3.37Å; L172-I219 HydrophobicContact CD1-CB 3.75Å; L172-I219 HydrophobicContact CD1-CG1 4.44Å; L172-I219 HydrophobicContact CD1-CG2 3.58Å; L172-I219 HydrophobicContact CG-CB 4.03Å; L172-I219 HydrophobicContact CG-CG2 4Å; L172-I219 PolarHBondContact N-O 2.84Å; V196-I219 HydrophobicContact CG1-CD1 4.35Å; V196-I219 HydrophobicContact CG2-CD1 3.89Å; V196-I219 HydrophobicContact CG2-CG1 4.14Å; V196-I219 HydrophobicContact CG2-CG2 4.01Å; P216-I219 PolarHBondContact O-N 2.89Å; I219-V533 HydrophobicContact CG2-CB 3.83Å; I219-V533 HydrophobicContact CG2-CG1 4.24Å; I219-V533 HydrophobicContact CG2-CG2 4.18Å; I219-I535 HydrophobicContact CD1-CB 4.41Å; I219-I535 HydrophobicContact CD1-CG1 3.97Å; I219-M580 HydrophobicContact CD1-CE 4.49Å; I219-M580 HydrophobicContact CG1-CE 3.99Å; I219-M580 HydrophobicContact CG1-SD 3.74Å
220	L	97.6	Very high	94.4	Very high	39 Å²	39	29.7 Å²	29.7	20%	0.204	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	136.5	-176.5	-58.3	-177.1	0	0	0	111.1	L168 H171 V533 K534 A536	L168-L220 HydrophobicContact CB-CB 3.94Å; L168-L220 HydrophobicContact CB-CD1 3.95Å; L168-L220 HydrophobicContact CD1-CB 3.99Å; L168-L220 HydrophobicContact CD1-CD1 3.79Å; L168-L220 HydrophobicContact CD1-CG 4.48Å; H171-L220 HydrophobicContact CB-CD2 3.59Å; L220-V533 CarbonylContact O-C 3.56Å; L220-V533 VanDerWaalsContact O-CA 3.24Å; L220-V533 WeakPolarHBondContact O-CA 3.33Å; L220-K534 PolarHBondContact N-O 3.34Å; L220-K534 PolarHBondContact O-N 3.27Å; L220-A536 HydrophobicContact CD1-CB 3.59Å; L220-A536 HydrophobicContact CG-CB 3.78Å
221	M	96.8	Very high	93.8	Very high	8 Å²	8	30.5 Å²	30.5	4%	0.039	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	139.7	170.5	-71.1	-171.7	60.4	0	0	111	G169 H170 L172 W175 I520 P522 I531 R532 V533	G169-M221 WeakPolarHBondContact CA-O 3.33Å; G169-M221 PolarHBondContact N-O 3.42Å; H170-M221 PolarHBondContact O-N 3.44Å; L172-M221 HydrophobicContact CD2-CG 4.06Å; L172-M221 HydrophobicContact CD2-SD 4.47Å; W175-M221 HydrophobicContact CG-SD 4.49Å; W175-M221 HydrophobicContact CZ2-SD 4.39Å; W175-M221 PolarHBondContact NE1-SD 2.93Å; M221-I520 HydrophobicContact CE-CB 4.38Å; M221-I520 WeakPolarHBondContact CE-O 3.4Å; M221-P522 HydrophobicContact CE-CB 4.46Å; M221-P522 HydrophobicContact CE-CG 4.44Å; M221-P522 HydrophobicContact SD-CB 4.31Å; M221-P522 HydrophobicContact SD-CG 3.91Å; M221-I531 HydrophobicContact CE-CG1 4.43Å; M221-I531 HydrophobicContact CE-CG2 4.39Å; M221-R532 CarbonylContact C-O 3.52Å; M221-R532 WeakPolarHBondContact CA-O 3.46Å; M221-V533 HydrophobicContact CG-CG1 4.11Å
222	C	96.3	Very high	93.2	Very high	33 Å²	33	30.8 Å²	30.8	22%	0.223	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	151.2	168.7	-56.4	0	0	0	0	110.3	L168 R532	L168-C222 HydrophobicContact CD2-CB 4.39Å; C222-R532 HydrophobicContact CB-CB 3.78Å; C222-R532 PolarHBondContact N-O 2.98Å
223	V	93.6	Very high	92.3	Very high	23 Å²	23	32.1 Å²	32.1	14%	0.139	16%	0.164	C	C	.	.			trans	-127.6	147.2	176.7	-70.2	0	0	0	0	109.8	V167 G169 F227 V228 L519	V167-V223 HydrophobicContact CG1-CG2 4.41Å; G169-V223 VanDerWaalsContact CA-CG1 3.48Å; V223-F227 HydrophobicContact CB-CB 4.5Å; V223-F227 HydrophobicContact CB-CD1 3.47Å; V223-F227 VanDerWaalsContact CB-CD1 3.47Å; V223-F227 HydrophobicContact CB-CE1 3.98Å; V223-F227 HydrophobicContact CB-CG 4.24Å; V223-F227 HydrophobicContact CG1-CD1 3.72Å; V223-F227 HydrophobicContact CG1-CE1 3.74Å; V223-F227 HydrophobicContact CG1-CG 4.48Å; V223-F227 HydrophobicContact CG2-CD1 3.78Å; V223-F227 HydrophobicContact CG2-CE1 4.13Å; V223-V228 HydrophobicContact CG2-CG2 3.66Å; V223-L519 HydrophobicContact CG1-CD2 3.68Å
224	D	90.4	Very high	91.5	Very high	103 Å²	103	33.4 Å²	33.4	55%	0.551	17%	0.17	S	C	*	.			trans	-73.9	150.9	179.5	-68.4	-27.7	0	0	0	111.6	V226 F227 V228	D224-V226 PolarHBondContact O-N 3.48Å; D224-F227 WeakPolarHBondContact O-CA 3.36Å; D224-F227 VanDerWaalsContact O-CB 3.3Å; D224-F227 WeakPolarHBondContact O-CB 3.43Å; D224-F227 PolarHBondContact O-N 3.32Å; D224-V228 PolarHBondContact O-N 3.21Å; D224-V228 VanDerWaalsContact O-N 3.12Å
225	D	87.6	Confident	90.6	Very high	83 Å²	83	33.7 Å²	33.7	44%	0.444	17%	0.173	S	C	.	.	H	α-helix	trans	-50.6	-34	172.5	-87.3	17.1	0	0	0	113.2	F227 V228 R229	D225-F227 VanDerWaalsContact C-N 3.35Å; D225-V228 PolarHBondContact O-N 3.4Å; D225-R229 WeakPolarHBondContact O-CB 3.19Å; D225-R229 WeakPolarHBondContact O-CD 3.25Å; D225-R229 WeakPolarHBondContact O-CG 3.02Å; D225-R229 PolarHBondContact O-N 3.11Å; D225-R229 PolarHBondContact O-NE 2.78Å; D225-R229 IonicContact OD2-CZ 3.27Å; D225-R229 IonicContact OD2-NH2 2.66Å; D225-R229 PolarHBondContact OD2-NH2 3.47Å
226	V	88.7	Confident	89.5	Confident	82 Å²	82	32.8 Å²	32.8	50%	0.497	17%	0.169	S	C	.	.	H	α-helix	trans	-65.5	-41.2	179	-173.1	0	0	0	0	110.6	D224 R230 L518	D224-V226 PolarHBondContact O-N 3.48Å; V226-R230 WeakPolarHBondContact O-CB 3.5Å; V226-R230 PolarHBondContact O-N 3.41Å; V226-L518 HydrophobicContact CG1-CD1 3.97Å
227	F	89.4	Confident	88.5	Confident	12 Å²	12	37 Å²	37	5%	0.053	19%	0.189	C	C	.	.	H	α-helix	trans	-63.6	-48.9	174.9	167.8	-97.9	0	0	0	111.1	V223 D224 D225 R229 R230 M231 A515 L518 L519	V223-F227 HydrophobicContact CB-CB 4.5Å; V223-F227 HydrophobicContact CB-CD1 3.47Å; V223-F227 VanDerWaalsContact CB-CD1 3.47Å; V223-F227 HydrophobicContact CB-CE1 3.98Å; V223-F227 HydrophobicContact CB-CG 4.24Å; V223-F227 HydrophobicContact CG1-CD1 3.72Å; V223-F227 HydrophobicContact CG1-CE1 3.74Å; V223-F227 HydrophobicContact CG1-CG 4.48Å; V223-F227 HydrophobicContact CG2-CD1 3.78Å; V223-F227 HydrophobicContact CG2-CE1 4.13Å; D224-F227 WeakPolarHBondContact O-CA 3.36Å; D224-F227 VanDerWaalsContact O-CB 3.3Å; D224-F227 WeakPolarHBondContact O-CB 3.43Å; D224-F227 PolarHBondContact O-N 3.32Å; D225-F227 VanDerWaalsContact C-N 3.35Å; F227-R229 VanDerWaalsContact C-N 3.33Å; F227-R229 PolarHBondContact O-N 2.99Å; F227-R230 PolarHBondContact O-N 3.11Å; F227-M231 HydrophobicContact CD1-CE 4.04Å; F227-M231 HydrophobicContact CE1-CE 3.09Å; F227-M231 HydrophobicContact CE2-CE 4.25Å; F227-M231 HydrophobicContact CZ-CE 3.21Å; F227-M231 WeakPolarHBondContact O-CB 3.22Å; F227-M231 PolarHBondContact O-N 2.85Å; F227-A515 HydrophobicContact CD2-CB 4.15Å; F227-A515 WeakPolarHBondContact CD2-O 3.44Å; F227-A515 HydrophobicContact CE2-CB 4Å; F227-A515 VanDerWaalsContact CE2-O 3.32Å; F227-A515 WeakPolarHBondContact CE2-O 3.47Å; F227-L518 HydrophobicContact CB-CB 4.28Å; F227-L518 HydrophobicContact CD2-CB 4.35Å; F227-L519 HydrophobicContact CD1-CD2 4.23Å; F227-L519 HydrophobicContact CD2-CD2 3.74Å; F227-L519 HydrophobicContact CD2-CG 3.84Å; F227-L519 HydrophobicContact CE1-CD2 3.9Å; F227-L519 HydrophobicContact CE2-CD1 3.87Å; F227-L519 HydrophobicContact CE2-CD2 3.45Å; F227-L519 VanDerWaalsContact CE2-CD2 3.45Å; F227-L519 HydrophobicContact CE2-CG 3.43Å; F227-L519 VanDerWaalsContact CE2-CG 3.43Å; F227-L519 HydrophobicContact CG-CD2 4.12Å; F227-L519 HydrophobicContact CZ-CD1 4.11Å; F227-L519 HydrophobicContact CZ-CD2 3.52Å; F227-L519 HydrophobicContact CZ-CG 3.93Å
228	V	89.3	Confident	87.3	Confident	7 Å²	7	37.6 Å²	37.6	4%	0.042	19%	0.189	C	C	.	.	H	α-helix	trans	-62.1	-42.2	-178.9	-176.7	0	0	0	0	111.2	L96 F105 V167 V223 D224 D225 M231 A232	L96-V228 HydrophobicContact CD1-CG1 4.06Å; F105-V228 HydrophobicContact CB-CG1 3.52Å; F105-V228 HydrophobicContact CD1-CG1 4.34Å; F105-V228 HydrophobicContact CD2-CG1 3.82Å; F105-V228 HydrophobicContact CG-CG1 3.63Å; V167-V228 HydrophobicContact CB-CG1 4.35Å; V167-V228 HydrophobicContact CB-CG2 4.17Å; V167-V228 HydrophobicContact CG1-CG1 4.11Å; V167-V228 HydrophobicContact CG1-CG2 3.82Å; V167-V228 HydrophobicContact CG2-CG1 4.26Å; V223-V228 HydrophobicContact CG2-CG2 3.66Å; D224-V228 PolarHBondContact O-N 3.21Å; D224-V228 VanDerWaalsContact O-N 3.12Å; D225-V228 PolarHBondContact O-N 3.4Å; V228-M231 PolarHBondContact O-N 2.94Å; V228-A232 PolarHBondContact O-N 3.39Å
229	R	86.3	Confident	86	Confident	63 Å²	63	40 Å²	40	24%	0.238	20%	0.2	C	C	.	.	H	α-helix	trans	-60.1	-48.4	173.8	-74.4	169.5	-141.9	-97.2	0.4	111.5	F105 D225 F227 M231 A232 M233	F105-R229 HydrophobicContact CD2-CG 4.45Å; F105-R229 HydrophobicContact CE2-CB 4.5Å; F105-R229 HydrophobicContact CE2-CG 3.73Å; D225-R229 WeakPolarHBondContact O-CB 3.19Å; D225-R229 WeakPolarHBondContact O-CD 3.25Å; D225-R229 WeakPolarHBondContact O-CG 3.02Å; D225-R229 PolarHBondContact O-N 3.11Å; D225-R229 PolarHBondContact O-NE 2.78Å; D225-R229 IonicContact OD2-CZ 3.27Å; D225-R229 IonicContact OD2-NH2 2.66Å; D225-R229 PolarHBondContact OD2-NH2 3.47Å; F227-R229 VanDerWaalsContact C-N 3.33Å; F227-R229 PolarHBondContact O-N 2.99Å; R229-M231 VanDerWaalsContact C-N 3.32Å; R229-M231 PolarHBondContact O-N 2.95Å; R229-A232 PolarHBondContact O-N 3.44Å; R229-M233 WeakPolarHBondContact O-CG 3.42Å; R229-M233 PolarHBondContact O-N 3.05Å
230	R	86.8	Confident	84.6	Confident	62 Å²	62	46.4 Å²	46.4	23%	0.234	23%	0.228	C	C	.	.	H	α-helix	trans	-59.5	-44.1	178.5	-167.4	65.3	54.3	-151.2	-9.2	111.3	V226 F227 A232 M233 E234 A515 L518	V226-R230 WeakPolarHBondContact O-CB 3.5Å; V226-R230 PolarHBondContact O-N 3.41Å; F227-R230 PolarHBondContact O-N 3.11Å; R230-A232 VanDerWaalsContact C-N 3.34Å; R230-A232 PolarHBondContact O-N 3.42Å; R230-M233 PolarHBondContact NH1-SD 3.2Å; R230-M233 PolarHBondContact O-N 2.95Å; R230-E234 WeakPolarHBondContact O-CG 2.97Å; R230-E234 PolarHBondContact O-N 3.28Å; R230-A515 HydrophobicContact CB-CB 3.99Å; R230-A515 HydrophobicContact CG-CB 3.81Å; R230-L518 HydrophobicContact CB-CD1 4.03Å; R230-L518 HydrophobicContact CG-CD1 4.25Å
231	M	86.4	Confident	83.3	Confident	17 Å²	17	48.2 Å²	48.2	8%	0.084	25%	0.248	C	C	.	.	H	α-helix	trans	-60.3	-42.2	176.8	-172	-161.9	-64	0	0	112.2	L86 L96 F227 V228 R229 A235 A515	L86-M231 HydrophobicContact CD2-SD 3.81Å; L96-M231 HydrophobicContact CD2-SD 4.17Å; F227-M231 HydrophobicContact CD1-CE 4.04Å; F227-M231 HydrophobicContact CE1-CE 3.09Å; F227-M231 HydrophobicContact CE2-CE 4.25Å; F227-M231 HydrophobicContact CZ-CE 3.21Å; F227-M231 WeakPolarHBondContact O-CB 3.22Å; F227-M231 PolarHBondContact O-N 2.85Å; V228-M231 PolarHBondContact O-N 2.94Å; R229-M231 VanDerWaalsContact C-N 3.32Å; R229-M231 PolarHBondContact O-N 2.95Å; M231-A235 WeakPolarHBondContact O-CB 3.49Å; M231-A235 PolarHBondContact O-N 2.8Å; M231-A235 VanDerWaalsContact O-N 3.14Å; M231-A515 HydrophobicContact CB-CB 4.32Å
232	A	85	Confident	81.7	Confident	6 Å²	6	51.2 Å²	51.2	5%	0.05	28%	0.281	C	S	.	.	H	α-helix	trans	-68.1	-39.5	177.4	0	0	0	0	0	112.3	I83 L96 F105 V228 R229 R230 T236	I83-A232 HydrophobicContact CD1-CB 4.4Å; I83-A232 HydrophobicContact CG2-CB 4.25Å; L96-A232 HydrophobicContact CD2-CB 4.21Å; F105-A232 HydrophobicContact CD1-CB 4.24Å; F105-A232 HydrophobicContact CE1-CB 3.37Å; F105-A232 HydrophobicContact CZ-CB 3.59Å; V228-A232 PolarHBondContact O-N 3.39Å; R229-A232 PolarHBondContact O-N 3.44Å; R230-A232 VanDerWaalsContact C-N 3.34Å; R230-A232 PolarHBondContact O-N 3.42Å; A232-T236 PolarHBondContact O-N 2.68Å; A232-T236 VanDerWaalsContact O-N 3.11Å; A232-T236 PolarHBondContact O-OG1 2.79Å
233	M	80	Confident	79.9	Confident	30 Å²	30	51.8 Å²	51.8	15%	0.148	29%	0.288	C	S	.	.	H	α-helix	trans	-60.9	-52	175.3	-71.9	175.2	65.2	0	0	111.6	R229 R230 A235 T236 E237	R229-M233 WeakPolarHBondContact O-CG 3.42Å; R229-M233 PolarHBondContact O-N 3.05Å; R230-M233 PolarHBondContact NH1-SD 3.2Å; R230-M233 PolarHBondContact O-N 2.95Å; M233-A235 VanDerWaalsContact C-N 3.29Å; M233-A235 PolarHBondContact O-N 3.31Å; M233-T236 PolarHBondContact O-N 3.25Å; M233-E237 PolarHBondContact O-N 2.87Å
234	E	82.3	Confident	78.1	Confident	35 Å²	35	56.2 Å²	56.2	16%	0.164	32%	0.317	C	S	.	.	H	α-helix	trans	-56.8	-44.7	179.5	-72.8	173.3	-178.3	0	0	111.2	R230 T236 E237 W238 R514 A515	R230-E234 WeakPolarHBondContact O-CG 2.97Å; R230-E234 PolarHBondContact O-N 3.28Å; E234-T236 PolarHBondContact O-N 2.76Å; E234-E237 PolarHBondContact O-N 3.27Å; E234-W238 HydrophobicContact CB-CH2 3.98Å; E234-W238 HydrophobicContact CB-CZ2 4.13Å; E234-W238 HydrophobicContact CB-CZ3 4.33Å; E234-W238 VanDerWaalsContact O-CD2 3.28Å; E234-W238 PolarHBondContact O-N 3.46Å; E234-R514 WeakPolarHBondContact OE1-CA 3.48Å; E234-A515 PolarHBondContact OE1-N 2.65Å; E234-A515 WeakPolarHBondContact OE2-CB 3.37Å
235	A	78.9	Confident	76.6	Confident	7 Å²	7	52.8 Å²	52.8	6%	0.058	30%	0.301	C	S	.	.	H	α-helix	trans	-58.7	-37.6	175.9	0	0	0	0	0	112.6	I83 R84 M231 M233 Q239	I83-A235 HydrophobicContact CG2-CB 4.12Å; R84-A235 HydrophobicContact CB-CB 4.07Å; R84-A235 HydrophobicContact CG-CB 4.37Å; M231-A235 WeakPolarHBondContact O-CB 3.49Å; M231-A235 PolarHBondContact O-N 2.8Å; M231-A235 VanDerWaalsContact O-N 3.14Å; M233-A235 VanDerWaalsContact C-N 3.29Å; M233-A235 PolarHBondContact O-N 3.31Å; A235-Q239 VanDerWaalsContact O-CG 3.28Å; A235-Q239 WeakPolarHBondContact O-CG 3.47Å; A235-Q239 PolarHBondContact O-N 3.36Å; A235-Q239 PolarHBondContact O-NE2 2.94Å
236	T	75.6	Confident	74.9	Confident	10 Å²	10	53.5 Å²	53.5	6%	0.061	31%	0.31	C	S	.	.	H	α-helix	trans	-78.5	-34.5	-179.1	-45.6	0	0	0	0	112.2	A232 M233 E234 Q239 K240 L283 M287	A232-T236 PolarHBondContact O-N 2.68Å; A232-T236 VanDerWaalsContact O-N 3.11Å; A232-T236 PolarHBondContact O-OG1 2.79Å; M233-T236 PolarHBondContact O-N 3.25Å; E234-T236 PolarHBondContact O-N 2.76Å; T236-Q239 PolarHBondContact O-N 3.15Å; T236-K240 WeakPolarHBondContact O-CG 3.4Å; T236-K240 PolarHBondContact O-N 3.11Å; T236-K240 VanDerWaalsContact O-N 3.09Å; T236-L283 HydrophobicContact CG2-CD2 3.95Å; T236-L283 HydrophobicContact CG2-CG 4.25Å; T236-M287 HydrophobicContact CG2-CE 3.43Å; T236-M287 VanDerWaalsContact CG2-CE 3.43Å; T236-M287 HydrophobicContact CG2-CG 4.06Å; T236-M287 HydrophobicContact CG2-SD 3.21Å; T236-M287 WeakPolarHBondContact CG2-SD 3.44Å
237	E	75.8	Confident	73.3	Confident	88 Å²	88	51 Å²	51	41%	0.411	30%	0.296	S	S	.	.	H	α-helix	trans	-62.6	-41.5	173.4	-72.9	179.6	165.5	0	0	111.3	M233 E234 Q239 K240 A241 R512	M233-E237 PolarHBondContact O-N 2.87Å; E234-E237 PolarHBondContact O-N 3.27Å; E237-Q239 PolarHBondContact O-N 3.24Å; E237-K240 PolarHBondContact O-N 3.19Å; E237-A241 WeakPolarHBondContact O-CB 3.36Å; E237-A241 PolarHBondContact O-N 3.16Å; E237-R512 IonicContact OE1-NH1 3.97Å
238	W	71.2	Confident	71.5	Confident	68 Å²	68	51.7 Å²	51.7	26%	0.258	31%	0.307	S	S	.	.	H	α-helix	trans	-63	-40.4	175.3	-65.4	-36	0	0	0	112.9	E234 K240 A241 G242 A243 P245 P246	E234-W238 HydrophobicContact CB-CH2 3.98Å; E234-W238 HydrophobicContact CB-CZ2 4.13Å; E234-W238 HydrophobicContact CB-CZ3 4.33Å; E234-W238 VanDerWaalsContact O-CD2 3.28Å; E234-W238 PolarHBondContact O-N 3.46Å; W238-K240 VanDerWaalsContact C-N 3.32Å; W238-K240 PolarHBondContact O-N 3.04Å; W238-A241 PolarHBondContact O-N 3.35Å; W238-G242 PolarHBondContact O-N 2.99Å; W238-G242 VanDerWaalsContact O-N 3.17Å; W238-A243 PolarHBondContact O-N 3.29Å; W238-P245 HydrophobicContact CD2-CB 4.13Å; W238-P245 HydrophobicContact CE3-CB 3.63Å; W238-P245 HydrophobicContact CZ3-CB 4.2Å; W238-P246 HydrophobicContact CD2-CG 4.48Å; W238-P246 HydrophobicContact CE3-CG 4.45Å; W238-P246 HydrophobicContact CH2-CG 3.25Å; W238-P246 HydrophobicContact CZ2-CG 3.24Å; W238-P246 VanDerWaalsContact CZ3-CD 3.49Å; W238-P246 HydrophobicContact CZ3-CG 3.88Å
239	Q	69.3	Low	69.6	Low	65 Å²	65	52 Å²	52	30%	0.304	31%	0.31	S	S	.	.	H	α-helix	trans	-60.7	-42.2	175.2	-69.6	163	22.4	0	0	111.7	I72 I83 A235 T236 E237 G242	I72-Q239 HydrophobicContact CG2-CG 4.47Å; I83-Q239 PolarHBondContact O-NE2 3.45Å; I83-Q239 VanDerWaalsContact O-NE2 3.07Å; A235-Q239 VanDerWaalsContact O-CG 3.28Å; A235-Q239 WeakPolarHBondContact O-CG 3.47Å; A235-Q239 PolarHBondContact O-N 3.36Å; A235-Q239 PolarHBondContact O-NE2 2.94Å; T236-Q239 PolarHBondContact O-N 3.15Å; E237-Q239 PolarHBondContact O-N 3.24Å; Q239-G242 PolarHBondContact O-N 3.34Å
240	K	68.9	Low	68.1	Low	134 Å²	134	49.4 Å²	49.4	58%	0.583	30%	0.301	S	S	*	.	H	α-helix	trans	-67.2	-39.4	177.2	-71.5	179.7	-178.7	-176.5	0	112.5	T236 E237 W238 G242 M287	T236-K240 WeakPolarHBondContact O-CG 3.4Å; T236-K240 PolarHBondContact O-N 3.11Å; T236-K240 VanDerWaalsContact O-N 3.09Å; E237-K240 PolarHBondContact O-N 3.19Å; W238-K240 VanDerWaalsContact C-N 3.32Å; W238-K240 PolarHBondContact O-N 3.04Å; K240-G242 PolarHBondContact O-N 2.95Å; K240-M287 WeakPolarHBondContact CE-SD 3.2Å; K240-M287 PolarHBondContact NZ-SD 3.1Å
241	A	70.4	Confident	66.8	Low	76 Å²	76	49.2 Å²	49.2	63%	0.628	31%	0.307	S	S	*	.	H	α-helix	trans	-72.4	-12.1	-179.7	0	0	0	0	0	113.2	E237 W238 A243	E237-A241 WeakPolarHBondContact O-CB 3.36Å; E237-A241 PolarHBondContact O-N 3.16Å; W238-A241 PolarHBondContact O-N 3.35Å; A241-A243 HydrophobicContact CB-CB 4.11Å; A241-A243 PolarHBondContact O-N 3.48Å; A241-A243 VanDerWaalsContact O-N 3.14Å
242	G	64.1	Low	65.6	Low	71 Å²	71	49.6 Å²	49.6	73%	0.732	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	62	15.1	-171.5	0	0	0	0	0	112.9	W238 Q239 K240	W238-G242 PolarHBondContact O-N 2.99Å; W238-G242 VanDerWaalsContact O-N 3.17Å; Q239-G242 PolarHBondContact O-N 3.34Å; K240-G242 PolarHBondContact O-N 2.95Å
243	A	57.2	Low	64.6	Low	45 Å²	45	50.2 Å²	50.2	37%	0.372	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-85.1	141.2	-179	0	0	0	0	0	109.5	W238 A241	W238-A243 PolarHBondContact O-N 3.29Å; A241-A243 HydrophobicContact CB-CB 4.11Å; A241-A243 PolarHBondContact O-N 3.48Å; A241-A243 VanDerWaalsContact O-N 3.14Å
244	P	56.5	Low	63.8	Low	116 Å²	116	49.3 Å²	49.3	75%	0.753	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-60	135.9	168.1	26.2	-31.3	0	0	0	108.5
245	P	58.2	Low	62.8	Low	31 Å²	31	50.7 Å²	50.7	20%	0.201	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-65.6	157.4	177.5	29.4	-34.4	0	0	0	110.4	W238 S247 A250 V251	W238-P245 HydrophobicContact CD2-CB 4.13Å; W238-P245 HydrophobicContact CE3-CB 3.63Å; W238-P245 HydrophobicContact CZ3-CB 4.2Å; P245-S247 PolarHBondContact O-N 2.98Å; P245-S247 VanDerWaalsContact O-N 3.11Å; P245-A250 HydrophobicContact CB-CB 3.71Å; P245-A250 HydrophobicContact CG-CB 3.73Å; P245-V251 HydrophobicContact CG-CB 4.5Å; P245-V251 HydrophobicContact CG-CG2 3.1Å
246	P	52.6	Low	61.9	Low	98 Å²	98	57.5 Å²	57.5	64%	0.636	35%	0.354	S	S	*	.	S	Bend	trans	-68.7	-8.9	-174	27.3	-35.6	0	0	0	114.6	W238	W238-P246 HydrophobicContact CD2-CG 4.48Å; W238-P246 HydrophobicContact CE3-CG 4.45Å; W238-P246 HydrophobicContact CH2-CG 3.25Å; W238-P246 HydrophobicContact CZ2-CG 3.24Å; W238-P246 VanDerWaalsContact CZ3-CD 3.49Å; W238-P246 HydrophobicContact CZ3-CG 3.88Å
247	S	55.4	Low	60.9	Low	30 Å²	30	62 Å²	62	21%	0.21	38%	0.377	C	S	.	.	S	Bend	trans	-132	134.5	175.3	162.2	0	0	0	0	109.7	D53 P245 S249 A250	D53-S247 PolarHBondContact O-OG 2.77Å; P245-S247 PolarHBondContact O-N 2.98Å; P245-S247 VanDerWaalsContact O-N 3.11Å; S247-S249 PolarHBondContact O-N 3.09Å; S247-S249 PolarHBondContact OG-N 3.31Å; S247-A250 WeakPolarHBondContact O-CB 3.46Å; S247-A250 PolarHBondContact O-N 2.94Å
248	G	50.6	Low	59.1	Low	27 Å²	27	66.8 Å²	66.8	28%	0.278	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-58.3	-26.5	177.2	0	0	0	0	0	112.9	D53 Q56 A250	D53-G248 PolarHBondContact O-N 3.36Å; Q56-G248 PolarHBondContact NE2-O 3.33Å; G248-A250 VanDerWaalsContact C-N 3.26Å; G248-A250 PolarHBondContact O-N 3.29Å
249	S	51.3	Low	57.5	Low	14 Å²	14	69.1 Å²	69.1	10%	0.098	42%	0.421	C	S	.	.	G	3₁₀ helix	trans	-68.4	-18.5	175.5	-173.3	0	0	0	0	113.8	D53 K85 S247 V251	D53-S249 PolarHBondContact O-N 3.47Å; K85-S249 WeakPolarHBondContact CB-O 3.39Å; K85-S249 WeakPolarHBondContact CG-O 3.29Å; S247-S249 PolarHBondContact O-N 3.09Å; S247-S249 PolarHBondContact OG-N 3.31Å; S249-V251 VanDerWaalsContact C-N 3.33Å; S249-V251 PolarHBondContact O-N 3.32Å
250	A	53.1	Low	55.8	Low	8 Å²	8	72.1 Å²	72.1	7%	0.066	44%	0.443	C	S	.	.	G	3₁₀ helix	trans	-80.8	-9.1	-177.3	0	0	0	0	0	114.3	P245 S247 G248	P245-A250 HydrophobicContact CB-CB 3.71Å; P245-A250 HydrophobicContact CG-CB 3.73Å; S247-A250 WeakPolarHBondContact O-CB 3.46Å; S247-A250 PolarHBondContact O-N 2.94Å; G248-A250 VanDerWaalsContact C-N 3.26Å; G248-A250 PolarHBondContact O-N 3.29Å
251	V	60	Low	54.2	Low	57 Å²	57	71.3 Å²	71.3	35%	0.345	46%	0.455	S	S	.	.	S	Bend	trans	-109.3	149.3	-179.6	-163.4	0	0	0	0	110.7	P245 S249 T253	P245-V251 HydrophobicContact CG-CB 4.5Å; P245-V251 HydrophobicContact CG-CG2 3.1Å; S249-V251 VanDerWaalsContact C-N 3.33Å; S249-V251 PolarHBondContact O-N 3.32Å; V251-T253 PolarHBondContact O-N 3.24Å
252	S	62.4	Low	52.5	Low	26 Å²	26	73 Å²	73	18%	0.182	46%	0.457	C	S	.	.			trans	-66.6	124.9	164.6	-171.7	0	0	0	0	110.8	V70 A254	V70-S252 WeakPolarHBondContact O-CB 3.29Å; V70-S252 PolarHBondContact O-OG 3.43Å; S252-A254 VanDerWaalsContact C-N 3.29Å; S252-A254 VanDerWaalsContact OG-CB 3.3Å; S252-A254 WeakPolarHBondContact OG-CB 3.49Å; S252-A254 PolarHBondContact OG-N 3.39Å
253	T	63.7	Low	51.2	Low	19 Å²	19	74.5 Å²	74.5	12%	0.117	46%	0.457	C	S	.	.			trans	-91.1	-6.7	177.4	75.8	0	0	0	0	110.6	Q56 E57 V251	Q56-T253 HydrophobicContact CB-CG2 3.77Å; Q56-T253 HydrophobicContact CG-CG2 3.49Å; Q56-T253 VanDerWaalsContact CG-CG2 3.49Å; Q56-T253 VanDerWaalsContact OE1-CB 3.23Å; E57-T253 PolarHBondContact OE1-OG1 2.87Å; E57-T253 WeakPolarHBondContact OE2-CG2 3.17Å; E57-T253 PolarHBondContact OE2-OG1 2.6Å; V251-T253 PolarHBondContact O-N 3.24Å
254	A	61.5	Low	50.5	Low	11 Å²	11	79.2 Å²	79.2	9%	0.091	48%	0.476	C	S	.	.	S	Bend	trans	-53.8	131	-179.5	0	0	0	0	0	110.6	Y62 P69 S252 Q256	Y62-A254 HydrophobicContact CD1-CB 4.15Å; Y62-A254 HydrophobicContact CE1-CB 3.58Å; P69-A254 HydrophobicContact CB-CB 3.66Å; S252-A254 VanDerWaalsContact C-N 3.29Å; S252-A254 VanDerWaalsContact OG-CB 3.3Å; S252-A254 WeakPolarHBondContact OG-CB 3.49Å; S252-A254 PolarHBondContact OG-N 3.39Å; A254-Q256 PolarHBondContact O-N 2.82Å
255	P	63.3	Low	49.5	Very low	64 Å²	64	78.4 Å²	78.4	42%	0.416	47%	0.468	S	S	.	.			trans	-52.7	132.1	177.1	-26.4	32.8	0	0	0	111.2	Y62 L257	Y62-P255 HydrophobicContact CG-CG 4.39Å; P255-L257 PolarHBondContact O-N 3.45Å
256	Q	59.4	Low	48.5	Very low	149 Å²	149	86.7 Å²	86.7	70%	0.696	50%	0.501	S	S	*	.			trans	-62.2	112	171.9	-66.4	-67	-14.8	0	0	108.1	A254 K258	A254-Q256 PolarHBondContact O-N 2.82Å; Q256-K258 PolarHBondContact O-N 3.39Å
257	L	53.2	Low	48.1	Very low	105 Å²	105	90.3 Å²	90.3	55%	0.55	51%	0.509	S	S	.	.			trans	-52.5	109.7	174.8	-72.6	167.9	0	0	0	108.6	P255	P255-L257 PolarHBondContact O-N 3.45Å
258	K	38.4	Very low	47.3	Very low	189 Å²	189	95.8 Å²	95.8	82%	0.822	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-59.1	131.6	176.9	-71.7	-179.3	-179.4	175.1	0	107.8	Q256 V260	Q256-K258 PolarHBondContact O-N 3.39Å; K258-V260 PolarHBondContact O-N 2.94Å
259	P	39	Very low	46.7	Very low	117 Å²	117	99.5 Å²	99.5	76%	0.76	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-58.9	118.7	173.4	22.6	-29.5	0	0	0	107.9	S261	P259-S261 PolarHBondContact O-N 2.88Å; P259-S261 VanDerWaalsContact O-N 3.11Å
260	V	33.7	Very low	46.2	Very low	127 Å²	127	107.3 Å²	107.3	77%	0.77	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-56.7	120	173.7	178.6	0	0	0	0	107.1	K258 T262	K258-V260 PolarHBondContact O-N 2.94Å; V260-T262 VanDerWaalsContact C-N 3.26Å; V260-T262 HydrophobicContact CG1-CG2 4.31Å; V260-T262 PolarHBondContact O-N 3.5Å
261	S	34.3	Very low	45.6	Very low	118 Å²	118	113.2 Å²	113.2	83%	0.825	61%	0.608	S	S	*	*			trans	-71.5	84.1	175.4	54.8	0	0	0	0	109	P259	P259-S261 PolarHBondContact O-N 2.88Å; P259-S261 VanDerWaalsContact O-N 3.11Å
262	T	35.6	Very low	44.7	Very low	111 Å²	111	118.2 Å²	118.2	68%	0.681	63%	0.626	S	S	*	*			trans	-95.3	109.4	152.5	55.9	0	0	0	0	106.3	V260	V260-T262 VanDerWaalsContact C-N 3.26Å; V260-T262 HydrophobicContact CG1-CG2 4.31Å; V260-T262 PolarHBondContact O-N 3.5Å
263	S	36.7	Very low	43.8	Very low	103 Å²	103	119.7 Å²	119.7	72%	0.72	64%	0.639	S	S	*	*			trans	-48.3	142	158.4	39.9	0	0	0	0	109.1
264	D	41.1	Very low	42.8	Very low	144 Å²	144	124.3 Å²	124.3	77%	0.77	66%	0.658	S	S	*	*			trans	89.4	99.1	177	-49.2	-43.2	0	0	0	116.5
265	V	36.9	Very low	42	Very low	99 Å²	99	129.4 Å²	129.4	60%	0.6	68%	0.68	S	S	*	*				168.5	96.3	125.4	169.3	0	0	0	0	107.6	H267 K268	V265-H267 HydrophobicContact CG1-CB 4.28Å; V265-H267 PolarHBondContact O-N 3.16Å; V265-K268 HydrophobicContact CG1-CB 4.46Å; V265-K268 HydrophobicContact CG1-CG 4.26Å
266	K	37.4	Very low	41	Very low	204 Å²	204	129.9 Å²	129.9	89%	0.887	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	21.2	175	-87.1	-178.5	176.6	175	0	114.5
267	H	43.1	Very low	40.7	Very low	175 Å²	175	129.1 Å²	129.1	81%	0.81	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.3	5	177	-106.4	-84.5	0	0	0	115.5	V265	V265-H267 HydrophobicContact CG1-CB 4.28Å; V265-H267 PolarHBondContact O-N 3.16Å
268	K	37.8	Very low	40.8	Very low	145 Å²	145	132.3 Å²	132.3	63%	0.63	68%	0.684	S	S	*	*	S	Bend	trans	-106	6.2	177.6	-84.2	-178.9	173.3	171.9	0	115.1	V265	V265-K268 HydrophobicContact CG1-CB 4.46Å; V265-K268 HydrophobicContact CG1-CG 4.26Å
269	T	38.4	Very low	41.3	Very low	105 Å²	105	126.4 Å²	126.4	64%	0.644	66%	0.659	S	S	*	*	H	α-helix	trans	-77.8	-23.5	-176.3	-4.6	0	0	0	0	113.8
270	K	41.9	Very low	41.7	Very low	177 Å²	177	123.5 Å²	123.5	77%	0.77	65%	0.645	S	S	*	*	H	α-helix	trans	-79.5	-26.6	175.8	-82.9	-177.3	175.9	177.2	0	114.1	K274	K270-K274 WeakPolarHBondContact O-CG 3.48Å; K270-K274 PolarHBondContact O-N 3.46Å
271	L	39.8	Very low	42.9	Very low	132 Å²	132	123.4 Å²	123.4	69%	0.691	64%	0.636	S	S	*	*	H	α-helix	trans	-78.9	-33.8	176.8	-91.1	106.8	0	0	0	112.8	K274 H275	L271-K274 PolarHBondContact O-N 3.46Å; L271-H275 PolarHBondContact O-N 3.2Å
272	K	41.9	Very low	44.1	Very low	163 Å²	163	121.9 Å²	121.9	71%	0.709	62%	0.618	S	S	*	*	H	α-helix	trans	-72.1	-28.5	177.1	-73	-174	174.9	-176.9	0	113.4	P276	K272-P276 WeakPolarHBondContact O-CD 3.35Å
273	A	43.7	Very low	44.9	Very low	57 Å²	57	118.1 Å²	118.1	47%	0.471	59%	0.594	S	S	.	*	H	α-helix	trans	-76.2	-28.3	172.1	0	0	0	0	0	113.1	P276	A273-P276 WeakPolarHBondContact O-CD 3.46Å; A273-P276 WeakPolarHBondContact O-CG 3.33Å
274	K	42.4	Very low	46	Very low	116 Å²	116	118.5 Å²	118.5	50%	0.504	58%	0.584	S	S	.	*	H	α-helix	trans	-76.6	-19.9	176.5	-80.5	-176.2	175.8	-168.3	0	114.6	K270 L271 R278	K270-K274 WeakPolarHBondContact O-CG 3.48Å; K270-K274 PolarHBondContact O-N 3.46Å; L271-K274 PolarHBondContact O-N 3.46Å; K274-R278 VanDerWaalsContact O-CB 3.28Å; K274-R278 WeakPolarHBondContact O-CB 3.47Å; K274-R278 WeakPolarHBondContact O-CG 3.49Å; K274-R278 PolarHBondContact O-N 3.03Å
275	H	44.8	Very low	47.2	Very low	118 Å²	118	120.8 Å²	120.8	55%	0.546	58%	0.582	S	S	.	*	H	α-helix	trans	-68.8	-48.5	179.2	-161.1	-81.2	0	0	0	113.1	L271 R278 Q279	L271-H275 PolarHBondContact O-N 3.2Å; H275-R278 PolarHBondContact O-N 2.84Å; H275-Q279 PolarHBondContact ND1-OE1 3.21Å; H275-Q279 WeakPolarHBondContact O-CB 3.39Å; H275-Q279 PolarHBondContact O-N 3.39Å
276	P	42.4	Very low	48.4	Very low	74 Å²	74	119 Å²	119	48%	0.481	57%	0.565	S	S	.	*	H	α-helix	trans	-65.9	-35.6	173	23.1	-31	0	0	0	112.5	K272 A273 Q279 A280	K272-P276 WeakPolarHBondContact O-CD 3.35Å; A273-P276 WeakPolarHBondContact O-CD 3.46Å; A273-P276 WeakPolarHBondContact O-CG 3.33Å; P276-Q279 PolarHBondContact O-N 2.98Å; P276-A280 VanDerWaalsContact O-CB 3.32Å; P276-A280 WeakPolarHBondContact O-CB 3.41Å; P276-A280 PolarHBondContact O-N 3.16Å
277	E	51.2	Low	49.3	Very low	132 Å²	132	110.5 Å²	110.5	62%	0.617	53%	0.528	S	S	*	.	H	α-helix	trans	-62.9	-45	172.2	-80	179.2	158.6	0	0	112.1	A280 E281	E277-A280 PolarHBondContact O-N 3.42Å; E277-E281 WeakPolarHBondContact O-CB 3.48Å; E277-E281 PolarHBondContact O-N 3.12Å
278	R	55.6	Low	50.4	Low	173 Å²	173	107 Å²	107	65%	0.653	52%	0.515	S	S	*	.	H	α-helix	trans	-66	-35.5	174.5	-83.8	-176.9	173.5	176.4	-2.9	112.7	K274 H275 L282	K274-R278 VanDerWaalsContact O-CB 3.28Å; K274-R278 WeakPolarHBondContact O-CB 3.47Å; K274-R278 WeakPolarHBondContact O-CG 3.49Å; K274-R278 PolarHBondContact O-N 3.03Å; H275-R278 PolarHBondContact O-N 2.84Å; R278-L282 WeakPolarHBondContact O-CB 3.47Å; R278-L282 PolarHBondContact O-N 3.34Å
279	Q	48.6	Very low	51.7	Low	65 Å²	65	102.8 Å²	102.8	30%	0.304	50%	0.498	S	S	.	.	H	α-helix	trans	-66.1	-42.2	173.9	-100.2	171.7	-33.1	0	0	111.2	G73 H275 P276 L282 L283	G73-Q279 PolarHBondContact O-NE2 3.05Å; H275-Q279 PolarHBondContact ND1-OE1 3.21Å; H275-Q279 WeakPolarHBondContact O-CB 3.39Å; H275-Q279 PolarHBondContact O-N 3.39Å; P276-Q279 PolarHBondContact O-N 2.98Å; Q279-L282 PolarHBondContact O-N 3.4Å; Q279-L283 WeakPolarHBondContact O-CB 3.37Å; Q279-L283 PolarHBondContact O-N 2.78Å
280	A	49	Very low	52.7	Low	56 Å²	56	99.3 Å²	99.3	46%	0.463	48%	0.475	S	S	.	.	H	α-helix	trans	-65.1	-40.5	174.6	0	0	0	0	0	111.8	P276 E277 L283 E284	P276-A280 VanDerWaalsContact O-CB 3.32Å; P276-A280 WeakPolarHBondContact O-CB 3.41Å; P276-A280 PolarHBondContact O-N 3.16Å; E277-A280 PolarHBondContact O-N 3.42Å; A280-L283 PolarHBondContact O-N 3.48Å; A280-E284 VanDerWaalsContact O-CB 3.25Å; A280-E284 WeakPolarHBondContact O-CB 3.14Å; A280-E284 PolarHBondContact O-N 2.98Å
281	E	58.3	Low	53.7	Low	124 Å²	124	95 Å²	95	58%	0.579	46%	0.457	S	S	*	.	H	α-helix	trans	-67.2	-36.9	175.6	-170.8	-176.6	-176.9	0	0	111.8	E277 E284 R285	E277-E281 WeakPolarHBondContact O-CB 3.48Å; E277-E281 PolarHBondContact O-N 3.12Å; E281-E284 PolarHBondContact O-N 3.23Å; E281-R285 WeakPolarHBondContact O-CB 3.25Å; E281-R285 PolarHBondContact O-N 3.43Å
282	L	59.9	Low	55	Low	86 Å²	86	90 Å²	90	45%	0.45	43%	0.434	S	S	.	.	H	α-helix	trans	-68.5	-42.7	174.6	-137.4	129.6	0	0	0	110.7	R278 Q279 E284 R285 R286	R278-L282 WeakPolarHBondContact O-CB 3.47Å; R278-L282 PolarHBondContact O-N 3.34Å; Q279-L282 PolarHBondContact O-N 3.4Å; L282-E284 VanDerWaalsContact C-N 3.35Å; L282-R285 PolarHBondContact O-N 3.3Å; L282-R286 WeakPolarHBondContact O-CB 3.48Å; L282-R286 WeakPolarHBondContact O-CG 3.28Å; L282-R286 PolarHBondContact O-N 2.94Å
283	L	50.8	Low	56	Low	32 Å²	32	84.8 Å²	84.8	17%	0.168	41%	0.414	C	S	.	.	H	α-helix	trans	-61.4	-43.9	172.6	-175.6	68.5	0	0	0	110.6	H81 T236 Q279 A280 R286 M287	H81-L283 WeakPolarHBondContact NE2-CD1 3.45Å; T236-L283 HydrophobicContact CG2-CD2 3.95Å; T236-L283 HydrophobicContact CG2-CG 4.25Å; Q279-L283 WeakPolarHBondContact O-CB 3.37Å; Q279-L283 PolarHBondContact O-N 2.78Å; A280-L283 PolarHBondContact O-N 3.48Å; L283-R286 CarbonylContact O-C 3.55Å; L283-R286 PolarHBondContact O-N 2.9Å; L283-M287 VanDerWaalsContact O-CG 3.27Å; L283-M287 WeakPolarHBondContact O-CG 3.36Å; L283-M287 PolarHBondContact O-N 3.28Å
284	E	60.6	Low	56.6	Low	111 Å²	111	84.4 Å²	84.4	52%	0.519	40%	0.403	S	S	.	.	H	α-helix	trans	-63	-45.7	177.8	-175.6	175.8	-158.8	0	0	112.1	A280 E281 L282 R286 M287 L288	A280-E284 VanDerWaalsContact O-CB 3.25Å; A280-E284 WeakPolarHBondContact O-CB 3.14Å; A280-E284 PolarHBondContact O-N 2.98Å; E281-E284 PolarHBondContact O-N 3.23Å; L282-E284 VanDerWaalsContact C-N 3.35Å; E284-R286 VanDerWaalsContact C-N 3.26Å; E284-R286 PolarHBondContact O-N 3.36Å; E284-M287 WeakPolarHBondContact O-CB 3.06Å; E284-M287 PolarHBondContact O-N 2.98Å; E284-L288 WeakPolarHBondContact O-CG 3.44Å; E284-L288 PolarHBondContact O-N 3.29Å
285	R	66.6	Low	57.7	Low	193 Å²	193	85.8 Å²	85.8	73%	0.728	41%	0.405	S	S	*	.	H	α-helix	trans	-63	-34.9	174.7	-171.6	174.2	178.4	168.8	0.5	111.8	E281 L282 E289	E281-R285 WeakPolarHBondContact O-CB 3.25Å; E281-R285 PolarHBondContact O-N 3.43Å; L282-R285 PolarHBondContact O-N 3.3Å; R285-E289 PolarHBondContact O-N 3.46Å
286	R	62.7	Low	58.7	Low	62 Å²	62	85.9 Å²	85.9	23%	0.234	41%	0.405	C	S	.	.	H	α-helix	trans	-73.8	-34.6	175	-68.3	-69.3	180	-141.6	-4	112	L282 L283 E284 E289 I290	L282-R286 WeakPolarHBondContact O-CB 3.48Å; L282-R286 WeakPolarHBondContact O-CG 3.28Å; L282-R286 PolarHBondContact O-N 2.94Å; L283-R286 CarbonylContact O-C 3.55Å; L283-R286 PolarHBondContact O-N 2.9Å; E284-R286 VanDerWaalsContact C-N 3.26Å; E284-R286 PolarHBondContact O-N 3.36Å; R286-E289 WeakPolarHBondContact CD-OE2 3.43Å; R286-E289 IonicContact CZ-OE2 3.52Å; R286-E289 IonicContact NE-OE2 3.52Å; R286-E289 IonicContact NH1-OE1 3.5Å; R286-E289 IonicContact NH1-OE2 3.97Å; R286-E289 PolarHBondContact NH1-OE2 2.95Å; R286-E289 WeakPolarHBondContact O-CB 3.28Å; R286-E289 PolarHBondContact O-N 3.24Å; R286-I290 VanDerWaalsContact O-CG1 3.32Å; R286-I290 WeakPolarHBondContact O-CG1 3.21Å; R286-I290 PolarHBondContact O-N 2.97Å
287	M	56.3	Low	59.4	Low	24 Å²	24	84.5 Å²	84.5	12%	0.118	40%	0.401	C	S	.	.	H	α-helix	trans	-64.6	-43	172.6	-74	-174.9	88.3	0	0	111.7	T236 K240 L283 E284 E289 I290 E291	T236-M287 HydrophobicContact CG2-CE 3.43Å; T236-M287 VanDerWaalsContact CG2-CE 3.43Å; T236-M287 HydrophobicContact CG2-CG 4.06Å; T236-M287 HydrophobicContact CG2-SD 3.21Å; T236-M287 WeakPolarHBondContact CG2-SD 3.44Å; K240-M287 WeakPolarHBondContact CE-SD 3.2Å; K240-M287 PolarHBondContact NZ-SD 3.1Å; L283-M287 VanDerWaalsContact O-CG 3.27Å; L283-M287 WeakPolarHBondContact O-CG 3.36Å; L283-M287 PolarHBondContact O-N 3.28Å; E284-M287 WeakPolarHBondContact O-CB 3.06Å; E284-M287 PolarHBondContact O-N 2.98Å; M287-E289 PolarHBondContact O-N 3.3Å; M287-I290 CarbonylContact O-C 3.55Å; M287-I290 WeakPolarHBondContact O-CA 3.36Å; M287-I290 WeakPolarHBondContact O-CB 3.24Å; M287-I290 PolarHBondContact O-N 2.87Å; M287-I290 VanDerWaalsContact O-N 3.09Å; M287-E291 WeakPolarHBondContact O-CG 3.48Å; M287-E291 PolarHBondContact O-N 3.12Å
288	L	65.1	Low	59.8	Low	101 Å²	101	83.2 Å²	83.2	53%	0.529	40%	0.395	S	S	.	.	H	α-helix	trans	-62.7	-32.3	174.3	-71.9	170.1	0	0	0	111.8	E284 A292	E284-L288 WeakPolarHBondContact O-CG 3.44Å; E284-L288 PolarHBondContact O-N 3.29Å; L288-A292 VanDerWaalsContact O-CB 3.24Å; L288-A292 WeakPolarHBondContact O-CB 3.27Å; L288-A292 PolarHBondContact O-N 2.93Å
289	E	65.3	Low	60.3	Low	58 Å²	58	79.4 Å²	79.4	27%	0.271	39%	0.386	S	S	.	.	H	α-helix	trans	-68.8	-40.8	172.3	-162.2	176	-171.2	0	0	111.2	K103 R285 R286 M287 A292 L293	K103-E289 WeakPolarHBondContact CE-OE1 3.29Å; K103-E289 IonicContact NZ-OE1 2.68Å; K103-E289 PolarHBondContact NZ-OE1 2.98Å; K103-E289 IonicContact NZ-OE2 3.38Å; K103-E289 PolarHBondContact NZ-OE2 3.45Å; R285-E289 PolarHBondContact O-N 3.46Å; R286-E289 WeakPolarHBondContact CD-OE2 3.43Å; R286-E289 IonicContact CZ-OE2 3.52Å; R286-E289 IonicContact NE-OE2 3.52Å; R286-E289 IonicContact NH1-OE1 3.5Å; R286-E289 IonicContact NH1-OE2 3.97Å; R286-E289 PolarHBondContact NH1-OE2 2.95Å; R286-E289 WeakPolarHBondContact O-CB 3.28Å; R286-E289 PolarHBondContact O-N 3.24Å; M287-E289 PolarHBondContact O-N 3.3Å; E289-A292 PolarHBondContact O-N 3.25Å; E289-L293 VanDerWaalsContact O-CG 3.28Å; E289-L293 WeakPolarHBondContact O-CG 3.35Å; E289-L293 PolarHBondContact O-N 2.99Å
290	I	59.4	Low	60.6	Low	32 Å²	32	79.6 Å²	79.6	16%	0.164	39%	0.394	C	S	.	.	H	α-helix	trans	-64.2	-48.2	173.8	-67.2	164.1	0	0	0	110.9	W98 F105 R286 M287 A292 L293 E294	W98-I290 HydrophobicContact CH2-CG1 4.28Å; W98-I290 HydrophobicContact CZ2-CG1 4.38Å; W98-I290 HydrophobicContact CZ3-CG1 4.48Å; F105-I290 HydrophobicContact CZ-CD1 4.48Å; R286-I290 VanDerWaalsContact O-CG1 3.32Å; R286-I290 WeakPolarHBondContact O-CG1 3.21Å; R286-I290 PolarHBondContact O-N 2.97Å; M287-I290 CarbonylContact O-C 3.55Å; M287-I290 WeakPolarHBondContact O-CA 3.36Å; M287-I290 WeakPolarHBondContact O-CB 3.24Å; M287-I290 PolarHBondContact O-N 2.87Å; M287-I290 VanDerWaalsContact O-N 3.09Å; I290-A292 VanDerWaalsContact C-N 3.27Å; I290-A292 PolarHBondContact O-N 2.8Å; I290-L293 CarbonylContact O-C 3.52Å; I290-L293 WeakPolarHBondContact O-CA 3.43Å; I290-L293 WeakPolarHBondContact O-CB 3.29Å; I290-L293 PolarHBondContact O-N 3.35Å; I290-L293 VanDerWaalsContact O-N 3.12Å; I290-E294 WeakPolarHBondContact O-CG 3.22Å; I290-E294 PolarHBondContact O-N 3.4Å
291	E	63.1	Low	61	Low	86 Å²	86	81 Å²	81	40%	0.402	40%	0.397	S	S	.	.	H	α-helix	trans	-63.4	-31.1	176.2	-72.9	-179.4	178.9	0	0	112.4	M287 E294 R295	M287-E291 WeakPolarHBondContact O-CG 3.48Å; M287-E291 PolarHBondContact O-N 3.12Å; E291-E294 WeakPolarHBondContact O-CB 3.28Å; E291-E294 PolarHBondContact O-N 3.01Å; E291-R295 PolarHBondContact O-N 3.49Å; E291-R295 VanDerWaalsContact O-N 3.16Å
292	A	67.7	Low	61	Low	26 Å²	26	82.4 Å²	82.4	22%	0.215	40%	0.397	C	S	.	.	H	α-helix	trans	-68.2	-44.2	171.9	0	0	0	0	0	111.4	L288 E289 I290 E294 R295 E296	L288-A292 VanDerWaalsContact O-CB 3.24Å; L288-A292 WeakPolarHBondContact O-CB 3.27Å; L288-A292 PolarHBondContact O-N 2.93Å; E289-A292 PolarHBondContact O-N 3.25Å; I290-A292 VanDerWaalsContact C-N 3.27Å; I290-A292 PolarHBondContact O-N 2.8Å; A292-E294 VanDerWaalsContact C-N 3.27Å; A292-E294 PolarHBondContact O-N 2.82Å; A292-R295 PolarHBondContact O-N 3.06Å; A292-E296 WeakPolarHBondContact O-CG 3.34Å; A292-E296 PolarHBondContact O-N 2.82Å
293	L	61.4	Low	60.6	Low	55 Å²	55	83.7 Å²	83.7	29%	0.288	40%	0.404	S	S	.	.	H	α-helix	trans	-62.9	-32.1	173.1	-69.4	168.9	0	0	0	111.9	W98 E289 I290 E296 A297	W98-L293 HydrophobicContact CH2-CD1 4.19Å; W98-L293 HydrophobicContact CZ2-CD1 4.42Å; E289-L293 VanDerWaalsContact O-CG 3.28Å; E289-L293 WeakPolarHBondContact O-CG 3.35Å; E289-L293 PolarHBondContact O-N 2.99Å; I290-L293 CarbonylContact O-C 3.52Å; I290-L293 WeakPolarHBondContact O-CA 3.43Å; I290-L293 WeakPolarHBondContact O-CB 3.29Å; I290-L293 PolarHBondContact O-N 3.35Å; I290-L293 VanDerWaalsContact O-N 3.12Å; L293-E296 PolarHBondContact O-N 2.68Å; L293-A297 VanDerWaalsContact O-CB 3.27Å; L293-A297 WeakPolarHBondContact O-CB 3.42Å; L293-A297 PolarHBondContact O-N 3.15Å
294	E	56.7	Low	60.3	Low	49 Å²	49	86 Å²	86	23%	0.229	42%	0.419	C	S	.	.	H	α-helix	trans	-62.4	-49	172.5	-73.2	-179.1	159.6	0	0	111.8	I290 E291 A292 E296 A297 E298	I290-E294 WeakPolarHBondContact O-CG 3.22Å; I290-E294 PolarHBondContact O-N 3.4Å; E291-E294 WeakPolarHBondContact O-CB 3.28Å; E291-E294 PolarHBondContact O-N 3.01Å; A292-E294 VanDerWaalsContact C-N 3.27Å; A292-E294 PolarHBondContact O-N 2.82Å; E294-E296 VanDerWaalsContact C-N 3.26Å; E294-E296 PolarHBondContact O-N 3.44Å; E294-A297 PolarHBondContact O-N 3.22Å; E294-E298 WeakPolarHBondContact O-CB 3.49Å; E294-E298 WeakPolarHBondContact O-CG 3.41Å; E294-E298 PolarHBondContact O-N 3.32Å
295	R	65.8	Low	59.6	Low	144 Å²	144	86.5 Å²	86.5	54%	0.543	43%	0.426	S	S	.	.	H	α-helix	trans	-59.9	-41.3	176.5	-80	-175.5	-81.5	96.8	-1.8	111	E291 A292 I299	E291-R295 PolarHBondContact O-N 3.49Å; E291-R295 VanDerWaalsContact O-N 3.16Å; A292-R295 PolarHBondContact O-N 3.06Å; R295-I299 VanDerWaalsContact O-CB 3.25Å; R295-I299 WeakPolarHBondContact O-CB 3.13Å; R295-I299 WeakPolarHBondContact O-CD1 3.39Å; R295-I299 WeakPolarHBondContact O-CG1 3.45Å; R295-I299 PolarHBondContact O-N 3.29Å
296	E	66.4	Low	58.6	Low	120 Å²	120	85.3 Å²	85.3	56%	0.561	43%	0.428	S	S	*	.	H	α-helix	trans	-67.5	-42.5	177.9	-72.7	177.1	-172.2	0	0	112.7	A292 L293 E294 I299 S300	A292-E296 WeakPolarHBondContact O-CG 3.34Å; A292-E296 PolarHBondContact O-N 2.82Å; L293-E296 PolarHBondContact O-N 2.68Å; E294-E296 VanDerWaalsContact C-N 3.26Å; E294-E296 PolarHBondContact O-N 3.44Å; E296-I299 PolarHBondContact O-N 2.82Å; E296-S300 WeakPolarHBondContact O-CB 3.1Å; E296-S300 PolarHBondContact O-N 3.4Å
297	A	57.6	Low	57.4	Low	46 Å²	46	87.9 Å²	87.9	38%	0.38	45%	0.451	S	S	.	.	H	α-helix	trans	-65.8	-43.7	176.9	0	0	0	0	0	111.9	L293 E294 I299 S300 V301	L293-A297 VanDerWaalsContact O-CB 3.27Å; L293-A297 WeakPolarHBondContact O-CB 3.42Å; L293-A297 PolarHBondContact O-N 3.15Å; E294-A297 PolarHBondContact O-N 3.22Å; A297-I299 VanDerWaalsContact C-N 3.33Å; A297-I299 PolarHBondContact O-N 2.9Å; A297-S300 PolarHBondContact O-N 3.14Å; A297-V301 WeakPolarHBondContact O-CG2 3.37Å; A297-V301 PolarHBondContact O-N 3.41Å
298	E	59	Low	56.4	Low	105 Å²	105	92.7 Å²	92.7	49%	0.491	49%	0.486	S	S	.	.	H	α-helix	trans	-62.7	-39.7	174.8	-76.4	-171.3	-173.8	0	0	112.2	E294 R302	E294-E298 WeakPolarHBondContact O-CB 3.49Å; E294-E298 WeakPolarHBondContact O-CG 3.41Å; E294-E298 PolarHBondContact O-N 3.32Å; E298-R302 WeakPolarHBondContact O-CB 3.3Å; E298-R302 VanDerWaalsContact O-CG 3.27Å; E298-R302 WeakPolarHBondContact O-CG 3.44Å; E298-R302 PolarHBondContact O-N 2.73Å; E298-R302 IonicContact OE2-NH2 2.72Å; E298-R302 PolarHBondContact OE2-NH2 3.39Å
299	I	66.7	Low	55	Low	93 Å²	93	92.5 Å²	92.5	48%	0.477	50%	0.498	S	S	.	.	H	α-helix	trans	-64.1	-45.7	175.1	-72.8	165.7	0	0	0	109.7	R295 E296 A297 R302 L303	R295-I299 VanDerWaalsContact O-CB 3.25Å; R295-I299 WeakPolarHBondContact O-CB 3.13Å; R295-I299 WeakPolarHBondContact O-CD1 3.39Å; R295-I299 WeakPolarHBondContact O-CG1 3.45Å; R295-I299 PolarHBondContact O-N 3.29Å; E296-I299 PolarHBondContact O-N 2.82Å; A297-I299 VanDerWaalsContact C-N 3.33Å; A297-I299 PolarHBondContact O-N 2.9Å; I299-R302 PolarHBondContact O-N 3.32Å; I299-L303 HydrophobicContact CG2-CD1 3.46Å; I299-L303 VanDerWaalsContact CG2-CD1 3.46Å; I299-L303 WeakPolarHBondContact O-CB 3.2Å; I299-L303 WeakPolarHBondContact O-CD1 3.43Å; I299-L303 PolarHBondContact O-N 2.97Å
300	S	54.6	Low	53.3	Low	68 Å²	68	93.9 Å²	93.9	48%	0.476	52%	0.519	S	S	.	.	H	α-helix	trans	-62.6	-42.9	178.8	-170.4	0	0	0	0	113	E296 A297 R302 L303 T304	E296-S300 WeakPolarHBondContact O-CB 3.1Å; E296-S300 PolarHBondContact O-N 3.4Å; A297-S300 PolarHBondContact O-N 3.14Å; S300-R302 VanDerWaalsContact C-N 3.35Å; S300-R302 PolarHBondContact O-N 3.31Å; S300-L303 PolarHBondContact O-N 2.99Å; S300-T304 WeakPolarHBondContact O-CG2 3.24Å; S300-T304 PolarHBondContact O-N 3.46Å; S300-T304 PolarHBondContact O-OG1 3.01Å
301	V	57.9	Low	52.1	Low	85 Å²	85	98.1 Å²	98.1	52%	0.515	55%	0.549	S	S	.	.	H	α-helix	trans	-66.3	-35.7	175.7	173.7	0	0	0	0	111.6	A297 T304 N305	A297-V301 WeakPolarHBondContact O-CG2 3.37Å; A297-V301 PolarHBondContact O-N 3.41Å; V301-T304 WeakPolarHBondContact CA-OG1 3.41Å; V301-T304 PolarHBondContact O-OG1 2.88Å; V301-N305 WeakPolarHBondContact O-CB 3.3Å; V301-N305 PolarHBondContact O-N 3.18Å; V301-N305 VanDerWaalsContact O-N 3.16Å
302	R	57.6	Low	50.6	Low	155 Å²	155	100.2 Å²	100.2	59%	0.585	57%	0.57	S	S	*	*	H	α-helix	trans	-70.6	-38	174.2	-73.5	178.4	-169.6	162.5	14.6	112.4	E298 I299 S300 H306	E298-R302 WeakPolarHBondContact O-CB 3.3Å; E298-R302 VanDerWaalsContact O-CG 3.27Å; E298-R302 WeakPolarHBondContact O-CG 3.44Å; E298-R302 PolarHBondContact O-N 2.73Å; E298-R302 IonicContact OE2-NH2 2.72Å; E298-R302 PolarHBondContact OE2-NH2 3.39Å; I299-R302 PolarHBondContact O-N 3.32Å; S300-R302 VanDerWaalsContact C-N 3.35Å; S300-R302 PolarHBondContact O-N 3.31Å; R302-H306 PolarHBondContact O-CD2 2.95Å; R302-H306 PolarHBondContact O-N 2.99Å
303	L	52.3	Low	48.8	Very low	112 Å²	112	108 Å²	108	59%	0.586	60%	0.602	S	S	*	*	H	α-helix	trans	-68.2	-36.2	177.6	-95	133.5	0	0	0	112.8	I299 S300 T307	I299-L303 HydrophobicContact CG2-CD1 3.46Å; I299-L303 VanDerWaalsContact CG2-CD1 3.46Å; I299-L303 WeakPolarHBondContact O-CB 3.2Å; I299-L303 WeakPolarHBondContact O-CD1 3.43Å; I299-L303 PolarHBondContact O-N 2.97Å; S300-L303 PolarHBondContact O-N 2.99Å; L303-T307 PolarHBondContact O-OG1 3.44Å
304	T	43.9	Very low	47.4	Very low	80 Å²	80	114.3 Å²	114.3	49%	0.491	63%	0.63	S	S	.	*	H	α-helix	trans	-73.2	-35.9	176.8	45.6	0	0	0	0	112.6	S300 V301 H306 T307	S300-T304 WeakPolarHBondContact O-CG2 3.24Å; S300-T304 PolarHBondContact O-N 3.46Å; S300-T304 PolarHBondContact O-OG1 3.01Å; V301-T304 WeakPolarHBondContact CA-OG1 3.41Å; V301-T304 PolarHBondContact O-OG1 2.88Å; T304-H306 VanDerWaalsContact C-N 3.33Å; T304-H306 PolarHBondContact O-N 3.07Å; T304-T307 PolarHBondContact O-N 2.72Å; T304-T307 PolarHBondContact O-OG1 3.04Å
305	N	45	Very low	46	Very low	123 Å²	123	121.2 Å²	121.2	66%	0.658	66%	0.662	S	S	*	*	H	α-helix	trans	-73.7	-20.2	174.7	-77.5	-20	0	0	0	114	V301	V301-N305 WeakPolarHBondContact O-CB 3.3Å; V301-N305 PolarHBondContact O-N 3.18Å; V301-N305 VanDerWaalsContact O-N 3.16Å
306	H	45.9	Very low	44.2	Very low	167 Å²	167	119.4 Å²	119.4	77%	0.773	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	-6.4	175.7	-84.9	-59.4	0	0	0	114.6	R302 T304	R302-H306 PolarHBondContact O-CD2 2.95Å; R302-H306 PolarHBondContact O-N 2.99Å; T304-H306 VanDerWaalsContact C-N 3.33Å; T304-H306 PolarHBondContact O-N 3.07Å
307	T	38.5	Very low	42.4	Very low	117 Å²	117	122.8 Å²	122.8	72%	0.718	69%	0.688	S	S	*	*	S	Bend	trans	-99.5	-1.3	-178	19.5	0	0	0	0	115	L303 T304	L303-T307 PolarHBondContact O-OG1 3.44Å; T304-T307 PolarHBondContact O-N 2.72Å; T304-T307 PolarHBondContact O-OG1 3.04Å
308	C	34.2	Very low	40.9	Very low	125 Å²	125	126.8 Å²	126.8	85%	0.845	71%	0.708	S	S	*	*	S	Bend	trans	-112.9	17.9	-176.4	-108.6	0	0	0	0	116
309	A	35.2	Very low	39.6	Very low	96 Å²	96	127.9 Å²	127.9	79%	0.793	72%	0.724	S	S	*	*	S	Bend	trans	-124.9	63.3	179.1	0	0	0	0	0	113.2
310	A	31.2	Very low	37.8	Very low	87 Å²	87	132.5 Å²	132.5	72%	0.719	74%	0.744	S	S	*	*			trans	-165.4	129.4	152.9	0	0	0	0	0	111
311	P	32.6	Very low	36.6	Very low	121 Å²	121	137 Å²	137	79%	0.786	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-82.7	140.3	173	32.2	-29.4	0	0	0	110.6
312	P	33.3	Very low	35.3	Very low	130 Å²	130	139 Å²	139	84%	0.844	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-81.3	122.3	171.3	-3.2	20.8	0	0	0	110.4
313	Q	29.7	Very low	34	Very low	189 Å²	189	136.1 Å²	136.1	88%	0.883	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-85	125.1	158.6	-77.8	-172.5	-33.3	0	0	108.9	Q315	Q313-Q315 PolarHBondContact O-N 3.2Å
314	E	30.4	Very low	32.9	Very low	189 Å²	189	137.2 Å²	137.2	88%	0.883	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-66.9	122.5	168.7	-68.8	-177.7	156.6	0	0	110.6
315	Q	28.9	Very low	32.3	Very low	193 Å²	193	139.1 Å²	139.1	90%	0.902	81%	0.808	S	S	*	*			trans	-142.2	127	146.5	-71.5	-166.7	-6.1	0	0	110.4	Q313	Q313-Q315 PolarHBondContact O-N 3.2Å
316	S	27.6	Very low	31.6	Very low	107 Å²	107	141 Å²	141	75%	0.748	81%	0.813	S	S	*	*			trans	-62.3	139	171.1	53.4	0	0	0	0	112.1
317	E	28.9	Very low	30.9	Very low	190 Å²	190	142.1 Å²	142.1	89%	0.888	82%	0.815	S	S	*	*			trans	-175	136.2	133.1	-102.6	168.5	-163.2	0	0	112
318	T	26	Very low	30.4	Very low	131 Å²	131	146.8 Å²	146.8	80%	0.804	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-65.9	145.3	178.4	32.1	0	0	0	0	113.9
319	P	31.6	Very low	30.2	Very low	128 Å²	128	147.8 Å²	147.8	83%	0.831	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-87.4	128.8	175.1	2.2	16.5	0	0	0	112.7
320	Q	27.4	Very low	30	Very low	190 Å²	190	152.8 Å²	152.8	89%	0.888	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-89.2	141.6	165	-73.1	-173	-9.8	0	0	111.4
321	I	29.4	Very low	30	Very low	163 Å²	163	157 Å²	157	84%	0.836	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-76.1	135.9	175.3	-60.3	164.8	0	0	0	109.7
322	P	32.3	Very low	29.8	Very low	125 Å²	125	155 Å²	155	81%	0.812	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-96.3	135.2	161.7	28.1	-16.3	0	0	0	111.2
323	A	28.8	Very low	29.6	Very low	96 Å²	96	155.9 Å²	155.9	79%	0.793	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-103.3	146.6	170.6	0	0	0	0	0	111.3
324	D	30.4	Very low	29.8	Very low	135 Å²	135	154 Å²	154	72%	0.722	82%	0.823	S	S	*	*			trans	92.7	113	145.3	-144.6	6.4	0	0	0	119.8
325	S	30.7	Very low	29.7	Very low	119 Å²	119	147.8 Å²	147.8	83%	0.832	81%	0.809	S	S	*	*				-169.6	105.4	123.3	14.5	0	0	0	0	113.2
326	Q	31	Very low	29.8	Very low	164 Å²	164	144.5 Å²	144.5	77%	0.766	80%	0.803	S	S	*	*			trans	11.9	131	142.6	-59	-178.7	-13.3	0	0	122.8
327	K	30.8	Very low	29.9	Very low	190 Å²	190	147.5 Å²	147.5	83%	0.826	81%	0.805	S	S	*	*				168.2	115	116.9	-90.7	173.3	-178.7	-178	0	109.1
328	R	28.6	Very low	29.9	Very low	215 Å²	215	142.5 Å²	142.5	81%	0.811	80%	0.796	S	S	*	*				43.3	134	92.8	-73.3	-171.7	-174.6	-132.1	10.4	113.1
329	E	29.7	Very low	30	Very low	145 Å²	145	143.3 Å²	143.3	68%	0.678	79%	0.791	S	S	*	*			cis	-167.2	144.7	4	-99.9	163.7	-155	0	0	103.3
330	E	31.5	Very low	29.8	Very low	202 Å²	202	145 Å²	145	94%	0.944	79%	0.785	S	S	*	*			trans	-167	132.4	139.4	-112	174.7	-167.1	0	0	111
331	D	29.8	Very low	29.8	Very low	174 Å²	174	141 Å²	141	93%	0.93	77%	0.774	S	S	*	*			trans	-60.7	160	-178.2	-79.5	-44.4	0	0	0	114.3
332	G	29.4	Very low	29.7	Very low	79 Å²	79	142 Å²	142	81%	0.814	77%	0.774	S	S	*	*			trans	158.5	73.4	156.6	0	0	0	0	0	115.4
333	D	28.8	Very low	29.5	Very low	149 Å²	149	140.5 Å²	140.5	80%	0.797	77%	0.767	S	S	*	*			trans	-60.5	169.3	175.1	-176.2	28.2	0	0	0	114.9
334	I	33.2	Very low	29.4	Very low	151 Å²	151	145.3 Å²	145.3	77%	0.774	77%	0.77	S	S	*	*			trans	90.9	116.1	158.3	-42.5	173.3	0	0	0	115.8
335	G	29.5	Very low	29.4	Very low	58 Å²	58	142.9 Å²	142.9	60%	0.598	77%	0.769	S	S	*	*			cis	-179.3	162.3	4.1	0	0	0	0	0	112.6
336	T	30.1	Very low	29.4	Very low	124 Å²	124	145.3 Å²	145.3	76%	0.761	77%	0.767	S	S	*	*			trans	40.3	136	134.4	46.7	0	0	0	0	118.7
337	E	29.4	Very low	29.3	Very low	169 Å²	169	145.9 Å²	145.9	79%	0.79	77%	0.77	S	S	*	*			cis	-172.4	137	7.5	-114.7	170.7	172	0	0	103.5
338	A	29	Very low	29.3	Very low	85 Å²	85	145 Å²	145	70%	0.702	77%	0.769	S	S	*	*				48.4	139.2	105.2	0	0	0	0	0	115
339	Q	28.6	Very low	29.3	Very low	149 Å²	149	143.3 Å²	143.3	70%	0.696	77%	0.77	S	S	*	*			cis	178.9	149.7	-0.6	-114.7	-175.2	19.3	0	0	104.4
340	K	27.8	Very low	29.3	Very low	164 Å²	164	140.8 Å²	140.8	71%	0.713	77%	0.774	S	S	*	*			trans	67.5	147.9	146	-69.1	175.9	178.9	163.1	0	116.9
341	T	26.8	Very low	29.2	Very low	106 Å²	106	136 Å²	136	65%	0.65	77%	0.768	S	S	*	*			cis	-178.5	150	10.4	19.2	0	0	0	0	106.4
342	E	28.1	Very low	29.2	Very low	182 Å²	182	133.6 Å²	133.6	85%	0.85	76%	0.76	S	S	*	*			trans	53	147.7	144	-68.4	179.3	165.2	0	0	119.9
343	S	27.7	Very low	29.2	Very low	94 Å²	94	139.2 Å²	139.2	66%	0.657	77%	0.765	S	S	*	*			cis	-178.2	158.6	-3.3	53	0	0	0	0	108.6
344	K	27	Very low	29.3	Very low	197 Å²	197	140.2 Å²	140.2	86%	0.857	77%	0.765	S	S	*	*			trans	73.4	129.9	144	-82.4	-178.4	174	-175.6	0	124.1
345	A	29.3	Very low	29.2	Very low	85 Å²	85	142.5 Å²	142.5	70%	0.702	77%	0.772	S	S	*	*			trans	65.8	148	137.4	0	0	0	0	0	117.8
346	E	31.1	Very low	29.1	Very low	169 Å²	169	146.5 Å²	146.5	79%	0.79	78%	0.775	S	S	*	*			cis	-171.3	173	1.1	-114.8	169.5	-175.1	0	0	106.5
347	E	29.2	Very low	29.1	Very low	176 Å²	176	146.5 Å²	146.5	82%	0.822	78%	0.781	S	S	*	*			trans	73.1	142.5	161.3	-74.2	173	173.7	0	0	117.9
348	E	29.9	Very low	29.2	Very low	172 Å²	172	145.7 Å²	145.7	80%	0.804	77%	0.774	S	S	*	*			cis	-162.1	140.8	31.2	-115.8	175.3	164.2	0	0	107.7
349	E	29.8	Very low	29.1	Very low	180 Å²	180	150.4 Å²	150.4	84%	0.841	78%	0.782	S	S	*	*				69	135.5	94.6	-82.3	-97.2	156.6	0	0	119.8
350	A	30.2	Very low	29.3	Very low	92 Å²	92	151.9 Å²	151.9	76%	0.76	79%	0.789	S	S	*	*			trans	67.7	147.2	154.6	0	0	0	0	0	119.9
351	A	27.9	Very low	29.3	Very low	100 Å²	100	152.6 Å²	152.6	83%	0.826	80%	0.795	S	S	*	*			cis	-164.3	171.1	3.9	0	0	0	0	0	111
352	V	30.7	Very low	29.4	Very low	125 Å²	125	151 Å²	151	76%	0.758	80%	0.8	S	S	*	*			trans	-60.9	151.2	175	175.6	0	0	0	0	114
353	E	29.9	Very low	29.5	Very low	197 Å²	197	151.2 Å²	151.2	92%	0.921	80%	0.8	S	S	*	*			trans	-154.6	139.4	138.4	-111.9	173.8	-152.9	0	0	112.6
354	E	29.4	Very low	29.5	Very low	169 Å²	169	153.7 Å²	153.7	79%	0.79	80%	0.802	S	S	*	*			trans	-77.8	161.3	179.6	-58.9	175.1	144.5	0	0	111.5
355	E	31.2	Very low	29.6	Very low	199 Å²	199	154.5 Å²	154.5	93%	0.93	80%	0.801	S	S	*	*			trans	-149.5	126.8	134.7	-89.6	-143.8	152.2	0	0	111.9
356	E	28.7	Very low	29.6	Very low	142 Å²	142	158.1 Å²	158.1	66%	0.664	80%	0.803	S	S	*	*			trans	-69.9	153.5	163.3	-69.8	-173.6	137.4	0	0	111.3	K358	E356-K358 IonicContact OE1-NZ 3.31Å; E356-K358 PolarHBondContact OE1-NZ 2.9Å; E356-K358 IonicContact OE2-NZ 2.78Å; E356-K358 PolarHBondContact OE2-NZ 3.46Å
357	S	29.8	Very low	29.4	Very low	124 Å²	124	158.8 Å²	158.8	87%	0.867	81%	0.806	S	S	*	*			trans	-145.9	120.3	137.7	65.6	0	0	0	0	110.8
358	K	30.4	Very low	29.3	Very low	152 Å²	152	157 Å²	157	66%	0.661	80%	0.801	S	S	*	*			trans	-77.3	154.8	178.8	-72.2	168.7	171	115	0	112.9	E356	E356-K358 IonicContact OE1-NZ 3.31Å; E356-K358 PolarHBondContact OE1-NZ 2.9Å; E356-K358 IonicContact OE2-NZ 2.78Å; E356-K358 PolarHBondContact OE2-NZ 3.46Å
359	E	28.8	Very low	29.2	Very low	185 Å²	185	159.2 Å²	159.2	86%	0.864	80%	0.803	S	S	*	*				177.6	106	129.2	-94.2	174.5	-164.1	0	0	106.9
360	Q	30.8	Very low	29	Very low	180 Å²	180	156 Å²	156	84%	0.841	80%	0.801	S	S	*	*				55.4	131.5	86.5	-88.7	-179.3	-8.9	0	0	113.7
361	E	29.6	Very low	28.8	Very low	179 Å²	179	157.3 Å²	157.3	84%	0.836	80%	0.8	S	S	*	*			cis	-146.2	150.8	18.9	-63.1	-179.8	131.5	0	0	110.6
362	G	28.9	Very low	28.7	Very low	73 Å²	73	157.7 Å²	157.7	75%	0.753	80%	0.796	S	S	*	*				95.1	127.7	104.4	0	0	0	0	0	111.3
363	E	28.7	Very low	29.4	Very low	185 Å²	185	157.1 Å²	157.1	86%	0.864	80%	0.795	S	S	*	*			cis	-159.7	150.5	47.1	-69.2	175.2	160.2	0	0	111.5
364	E	28.5	Very low	29.2	Very low	146 Å²	146	153.8 Å²	153.8	68%	0.682	79%	0.788	S	S	*	*			trans	17.6	146.1	153.5	-77.8	174.2	149.2	0	0	121.3
365	Y	28.7	Very low	29.2	Very low	215 Å²	215	155.3 Å²	155.3	84%	0.843	79%	0.792	S	S	*	*				-156.8	154.9	70.6	-78.2	-86.7	0	0	0	113.8
366	E	28.8	Very low	29.4	Very low	161 Å²	161	151 Å²	151	75%	0.752	78%	0.781	S	S	*	*			trans	-68.6	150	-168.4	-63.7	-156.9	145.2	0	0	118.7
367	E	27	Very low	29.2	Very low	182 Å²	182	152.3 Å²	152.3	85%	0.85	79%	0.787	S	S	*	*			trans	-84.1	127.7	152.9	-85.1	-174.3	149.3	0	0	110.8
368	I	28.7	Very low	29.1	Very low	140 Å²	140	152.9 Å²	152.9	72%	0.718	78%	0.779	S	S	*	*			trans	-105.2	109	169.8	-51.4	173	0	0	0	108.1
369	Y	26.7	Very low	28.9	Very low	217 Å²	217	150.7 Å²	150.7	85%	0.851	78%	0.779	S	S	*	*			trans	-111.2	110	151.7	-94.7	-81.2	0	0	0	108.6
370	S	25.2	Very low	28.9	Very low	112 Å²	112	150.7 Å²	150.7	78%	0.783	78%	0.776	S	S	*	*			trans	-100.2	128.9	172.7	-140.4	0	0	0	0	109.2
371	T	26.6	Very low	28.8	Very low	121 Å²	121	147.1 Å²	147.1	74%	0.742	77%	0.766	S	S	*	*			trans	-119.8	152.5	169.3	51	0	0	0	0	110.9
372	S	24.8	Very low	28.7	Very low	107 Å²	107	145.5 Å²	145.5	75%	0.748	76%	0.763	S	S	*	*			trans	104	161.2	150.7	-51.6	0	0	0	0	117.3
373	P	45.5	Very low	28.6	Very low	114 Å²	114	147.5 Å²	147.5	74%	0.74	77%	0.766	S	S	*	*			cis	-130.5	173.7	-6.6	20.7	5.3	0	0	0	113.5
374	V	26.4	Very low	28.6	Very low	126 Å²	126	141.9 Å²	141.9	76%	0.764	75%	0.751	S	S	*	*				178.7	118.6	88	164.4	0	0	0	0	111.9
375	K	29.7	Very low	28.6	Very low	202 Å²	202	144.2 Å²	144.2	88%	0.878	76%	0.759	S	S	*	*			trans	58.6	157.9	136.3	-79.7	-168.7	176.1	173.8	0	125.3
376	P	35.4	Very low	28.5	Very low	108 Å²	108	139.2 Å²	139.2	70%	0.701	75%	0.751	S	S	*	*			trans	-124.4	-178.6	-134.5	45.4	-32.7	0	0	0	115.4
377	Q	25.3	Very low	28.4	Very low	170 Å²	170	139.1 Å²	139.1	79%	0.794	76%	0.756	S	S	*	*			trans	175.4	115.2	131.1	-95.1	-169	2.4	0	0	110.5
378	I	27.3	Very low	28.2	Very low	135 Å²	135	133.6 Å²	133.6	69%	0.692	75%	0.748	S	S	*	*				96.7	134.8	85.1	-78.6	-179.1	0	0	0	114.8
379	T	25.8	Very low	28.1	Very low	106 Å²	106	135.6 Å²	135.6	65%	0.65	75%	0.754	S	S	*	*			trans	82.4	110.7	163	56.5	0	0	0	0	118.7
380	K	28.6	Very low	28	Very low	185 Å²	185	130.8 Å²	130.8	80%	0.804	75%	0.747	S	S	*	*				112.9	142.3	72.5	-88.4	-176.3	-176.2	175.1	0	105.6
381	T	28.1	Very low	28	Very low	105 Å²	105	132.4 Å²	132.4	64%	0.644	75%	0.746	S	S	*	*			cis	-176.5	152.3	6.3	21.2	0	0	0	0	107.3
382	N	27.2	Very low	27.9	Very low	145 Å²	145	133.4 Å²	133.4	78%	0.775	75%	0.746	S	S	*	*			trans	73	111.4	147.2	-63.9	-7.6	0	0	0	118.9
383	S	27.4	Very low	27.8	Very low	116 Å²	116	134 Å²	134	81%	0.811	75%	0.745	S	S	*	*				80.1	134.7	83.5	-179.1	0	0	0	0	111.6
384	A	29.7	Very low	26.9	Very low	67 Å²	67	133.3 Å²	133.3	55%	0.554	74%	0.742	S	S	*	*			cis	-179.6	152.4	-8.3	0	0	0	0	0	106.3
385	K	27.8	Very low	27	Very low	195 Å²	195	135.7 Å²	135.7	85%	0.848	75%	0.745	S	S	*	*			trans	65.5	147.7	142.4	-69.3	171.5	-176.4	-176	0	117.6
386	T	26.5	Very low	26.8	Very low	110 Å²	110	130.6 Å²	130.6	68%	0.675	74%	0.735	S	S	*	*			cis	-175.3	147.4	4.1	25.1	0	0	0	0	108.7
387	N	26	Very low	26.6	Very low	158 Å²	158	133.8 Å²	133.8	85%	0.845	75%	0.745	S	S	*	*			trans	43.1	126.2	137.9	-57.5	-6.7	0	0	0	122.9
388	G	24.6	Very low	26.8	Very low	66 Å²	66	136.1 Å²	136.1	68%	0.68	75%	0.747	S	S	*	*				122	125.6	100.2	0	0	0	0	0	120.4
389	H	25.4	Very low	26.8	Very low	183 Å²	183	137.3 Å²	137.3	85%	0.847	75%	0.75	S	S	*	*			trans	71.9	119.9	146.1	-69.8	-87.4	0	0	0	122.2
390	V	24.3	Very low	27	Very low	116 Å²	116	139.6 Å²	139.6	70%	0.703	76%	0.758	S	S	*	*				75.6	115.5	70.5	-159	0	0	0	0	116.1
391	L	24.8	Very low	27.7	Very low	146 Å²	146	136.8 Å²	136.8	76%	0.764	76%	0.759	S	S	*	*				147.9	125.4	123.5	-81.6	176.2	0	0	0	117
392	L	25	Very low	27.7	Very low	142 Å²	142	135.6 Å²	135.6	74%	0.743	77%	0.767	S	S	*	*			trans	56.4	132.6	131.8	-73.9	171.5	0	0	0	126.3
393	V	23.8	Very low	28	Very low	119 Å²	119	135.4 Å²	135.4	72%	0.721	77%	0.772	S	S	*	*			trans	74.8	139	135.8	-177.8	0	0	0	0	115.8
394	S	26.5	Very low	28.6	Very low	99 Å²	99	135.3 Å²	135.3	69%	0.692	77%	0.768	S	S	*	*			cis	-163.5	143.9	40	-1.3	0	0	0	0	108.7
395	E	28	Very low	28.7	Very low	176 Å²	176	138 Å²	138	82%	0.822	78%	0.78	S	S	*	*				98.2	121.5	76.1	-151.2	177.7	-146	0	0	115.4
396	S	26.1	Very low	28.9	Very low	96 Å²	96	135.3 Å²	135.3	67%	0.671	78%	0.78	S	S	*	*			trans	69.5	121.9	147.8	62.7	0	0	0	0	123.6
397	L	30.3	Very low	29.6	Very low	175 Å²	175	136 Å²	136	92%	0.916	79%	0.786	S	S	*	*				177.1	153.4	106.8	-95.1	158.2	0	0	0	113.3
398	R	29	Very low	29.9	Very low	218 Å²	218	133.7 Å²	133.7	82%	0.823	78%	0.783	S	S	*	*			trans	-92.9	165.7	-164.4	-73.4	178.5	163.9	-178	-3.6	114.8
399	Q	28.6	Very low	31	Very low	161 Å²	161	136.4 Å²	136.4	75%	0.752	79%	0.788	S	S	*	*			trans	98.5	98.6	143.2	-82.6	163.1	11.1	0	0	121.2
400	N	30.1	Very low	31.4	Very low	153 Å²	153	134 Å²	134	82%	0.818	79%	0.787	S	S	*	*				50.6	164.5	113.6	-68.7	1.7	0	0	0	121.9
401	P	42.4	Very low	32.1	Very low	127 Å²	127	134.3 Å²	134.3	83%	0.825	79%	0.791	S	S	*	*				-131.9	171.8	-69	36.1	-16.1	0	0	0	111.8
402	G	27.8	Very low	32.2	Very low	80 Å²	80	135.9 Å²	135.9	83%	0.825	80%	0.795	S	S	*	*			trans	169.9	89.8	168.8	0	0	0	0	0	116.1
403	T	33.1	Very low	33.4	Very low	141 Å²	141	134.2 Å²	134.2	87%	0.865	79%	0.792	S	S	*	*			trans	-79.5	163.8	152.4	11	0	0	0	0	109.2
404	P	41	Very low	33.5	Very low	114 Å²	114	134.3 Å²	134.3	74%	0.74	79%	0.793	S	S	*	*			cis	-137	176.6	28.1	41.5	-21.8	0	0	0	114.2
405	P	32.1	Very low	33.4	Very low	124 Å²	124	136.8 Å²	136.8	81%	0.805	80%	0.797	S	S	*	*				-154.8	166.6	91.5	36.9	-15.8	0	0	0	116.6
406	T	31.1	Very low	33.2	Very low	137 Å²	137	133.6 Å²	133.6	84%	0.84	79%	0.793	S	S	*	*			trans	-121.4	148.1	152.2	31.4	0	0	0	0	106.8
407	P	42.3	Very low	33.5	Very low	125 Å²	125	134.4 Å²	134.4	81%	0.812	80%	0.796	S	S	*	*				-146.3	167	66.7	35.1	-13	0	0	0	116.7
408	S	31.2	Very low	33.3	Very low	110 Å²	110	132.5 Å²	132.5	77%	0.769	79%	0.786	S	S	*	*			trans	-77.2	165.5	169.6	50.6	0	0	0	0	111.7
409	P	49.1	Very low	33.3	Very low	123 Å²	123	129.1 Å²	129.1	80%	0.799	79%	0.789	S	S	*	*				-145.8	174.1	68.5	31.5	-6.7	0	0	0	117.8
410	T	33.5	Very low	33.2	Very low	133 Å²	133	128.7 Å²	128.7	82%	0.816	79%	0.787	S	S	*	*			trans	-43.8	176.1	-178.4	43.7	0	0	0	0	119.8
411	P	37.9	Very low	33	Very low	122 Å²	122	127.1 Å²	127.1	79%	0.792	79%	0.789	S	S	*	*			cis	-139.7	175.9	14.5	33.9	-9.4	0	0	0	119
412	E	28.1	Very low	32.3	Very low	179 Å²	179	129.1 Å²	129.1	84%	0.836	79%	0.787	S	S	*	*			trans	-41.5	-177.9	169.3	-81.5	-173.8	168.1	0	0	120
413	P	49.6	Very low	32.1	Very low	106 Å²	106	132.6 Å²	132.6	69%	0.688	79%	0.786	S	S	*	*			cis	-135.3	-176.8	-10.4	22.1	3.5	0	0	0	114.3
414	V	25.6	Very low	31.7	Very low	122 Å²	122	130.7 Å²	130.7	74%	0.739	78%	0.778	S	S	*	*			trans	160.2	117.7	131.5	163.6	0	0	0	0	113.5
415	L	25.2	Very low	31	Very low	151 Å²	151	134.9 Å²	134.9	79%	0.791	78%	0.781	S	S	*	*			trans	31.2	142.4	144.4	-70.5	91.7	0	0	0	120.5
416	C	23.8	Very low	30.9	Very low	108 Å²	108	135.1 Å²	135.1	73%	0.73	78%	0.78	S	S	*	*			cis	-179	-177.6	24.9	-123.8	0	0	0	0	107.7
417	P	32.7	Very low	30.7	Very low	114 Å²	114	135.7 Å²	135.7	74%	0.74	78%	0.778	S	S	*	*			cis	-133.4	159.8	-13.6	36	-17	0	0	0	115.6
418	L	25.9	Very low	30.2	Very low	134 Å²	134	140.6 Å²	140.6	70%	0.702	78%	0.78	S	S	*	*			trans	-57.7	144.3	157.4	-97.8	68.1	0	0	0	112.2	E420	L418-E420 HydrophobicContact CD2-CG 3.89Å
419	V	28.8	Very low	30.1	Very low	147 Å²	147	142.2 Å²	142.2	89%	0.891	78%	0.78	S	S	*	*			trans	-128.1	119.3	133.7	176.7	0	0	0	0	107
420	E	26.4	Very low	29.3	Very low	152 Å²	152	144.5 Å²	144.5	71%	0.71	78%	0.784	S	S	*	*			trans	-71.5	140.4	174.5	-64.9	165.4	156.7	0	0	110.2	L418	L418-E420 HydrophobicContact CD2-CG 3.89Å
421	S	26.5	Very low	29	Very low	121 Å²	121	143.1 Å²	143.1	85%	0.846	78%	0.78	S	S	*	*			trans	-138.6	92.1	142.1	67.2	0	0	0	0	107.7
422	E	25.6	Very low	28.5	Very low	168 Å²	168	145.6 Å²	145.6	79%	0.785	79%	0.786	S	S	*	*			trans	-63.4	124.2	157.7	-68.1	-152.6	149	0	0	109.3
423	L	24.4	Very low	28.5	Very low	153 Å²	153	141 Å²	141	80%	0.801	77%	0.773	S	S	*	*			trans	-142.8	88.6	140.5	-80.1	-178.6	0	0	0	106.8	Y425	L423-Y425 HydrophobicContact CD2-CE2 4.4Å; L423-Y425 PolarHBondContact O-N 2.91Å
424	S	25.6	Very low	27.6	Very low	102 Å²	102	142 Å²	142	71%	0.713	78%	0.783	S	S	*	*			trans	-66.9	110.6	157.4	56.3	0	0	0	0	108.3
425	Y	25.1	Very low	27.6	Very low	201 Å²	201	139 Å²	139	79%	0.788	78%	0.777	S	S	*	*			trans	-114.8	111.2	152.9	-87.9	-84	0	0	0	107.1	L423 D427	L423-Y425 HydrophobicContact CD2-CE2 4.4Å; L423-Y425 PolarHBondContact O-N 2.91Å; Y425-D427 PolarHBondContact O-N 3.09Å
426	T	29.6	Very low	27.6	Very low	130 Å²	130	141.5 Å²	141.5	80%	0.798	78%	0.777	S	S	*	*			trans	-66	108.4	158.8	47.3	0	0	0	0	107.1
427	D	27.2	Very low	27.8	Very low	148 Å²	148	145 Å²	145	79%	0.791	78%	0.783	S	S	*	*			trans	-107	90.4	161.3	-125.1	-16.9	0	0	0	107.2	Y425	Y425-D427 PolarHBondContact O-N 3.09Å
428	R	32.4	Very low	27.5	Very low	229 Å²	229	147.7 Å²	147.7	86%	0.864	79%	0.788	S	S	*	*			trans	-79.9	100.8	153.4	-91.8	-172.4	167.2	177.9	-3.5	104.6
429	D	29.9	Very low	27.4	Very low	143 Å²	143	150.8 Å²	150.8	77%	0.765	79%	0.791	S	S	*	*			trans	-177	155.7	147.7	-87	-27.8	0	0	0	107
430	I	30.9	Very low	27.4	Very low	171 Å²	171	151.3 Å²	151.3	88%	0.877	79%	0.789	S	S	*	*			trans	91.3	63.2	-168.3	-41.7	158.7	0	0	0	113
431	S	28.6	Very low	27.4	Very low	105 Å²	105	146.9 Å²	146.9	73%	0.734	78%	0.784	S	S	*	*			trans	-139.3	70.6	149.2	-177.7	0	0	0	0	108.4	S433	S431-S433 VanDerWaalsContact C-N 3.27Å; S431-S433 PolarHBondContact O-N 3.37Å
432	L	26.4	Very low	27.3	Very low	173 Å²	173	150.1 Å²	150.1	91%	0.906	79%	0.786	S	S	*	*			trans	-86.4	80.9	160.5	-71.4	172.8	0	0	0	107.5
433	S	27.7	Very low	27.5	Very low	82 Å²	82	149.2 Å²	149.2	57%	0.573	79%	0.791	S	S	*	*			trans	-65.9	135	149.8	176.7	0	0	0	0	106.8	S431 G435	S431-S433 VanDerWaalsContact C-N 3.27Å; S431-S433 PolarHBondContact O-N 3.37Å; S433-G435 PolarHBondContact O-N 3.19Å
434	S	30.5	Very low	27.5	Very low	127 Å²	127	145.9 Å²	145.9	89%	0.888	79%	0.786	S	S	*	*			trans	-38.3	109.6	172.7	-173.5	0	0	0	0	110.6
435	G	26.3	Very low	27.5	Very low	60 Å²	60	149.4 Å²	149.4	62%	0.619	79%	0.791	S	S	*	*			trans	-126.1	112.7	-179.6	0	0	0	0	0	107.3	S433 E437	S433-G435 PolarHBondContact O-N 3.19Å; G435-E437 PolarHBondContact O-N 3.38Å
436	Y	25.9	Very low	28	Very low	204 Å²	204	144.9 Å²	144.9	80%	0.8	79%	0.787	S	S	*	*			trans	-65.1	96.4	177.6	-156.3	-97.1	0	0	0	109	M438	Y436-M438 HydrophobicContact CD1-CG 4.25Å; Y436-M438 HydrophobicContact CE1-CG 4.26Å
437	E	26.4	Very low	27.7	Very low	182 Å²	182	142.8 Å²	142.8	85%	0.85	78%	0.782	S	S	*	*			trans	-91.9	106.4	171	-77.9	-167.8	162.8	0	0	109.7	G435 Y439	G435-E437 PolarHBondContact O-N 3.38Å; E437-Y439 PolarHBondContact O-N 2.99Å
438	M	27.9	Very low	27.6	Very low	170 Å²	170	143.2 Å²	143.2	84%	0.837	78%	0.784	S	S	*	*			trans	-65.6	101.1	164	-66.5	-158.7	-59	0	0	109.3	Y436	Y436-M438 HydrophobicContact CD1-CG 4.25Å; Y436-M438 HydrophobicContact CE1-CG 4.26Å
439	Y	23.4	Very low	27.3	Very low	199 Å²	199	138.2 Å²	138.2	78%	0.78	78%	0.779	S	S	*	*			trans	-92.6	100.2	168.9	-164	-98	0	0	0	110	E437 G441	E437-Y439 PolarHBondContact O-N 2.99Å; Y439-G441 PolarHBondContact O-N 3.2Å
440	N	28.5	Very low	27.1	Very low	157 Å²	157	139.4 Å²	139.4	84%	0.84	79%	0.785	S	S	*	*			trans	-69.7	111.3	158.9	-85.5	-18.4	0	0	0	108
441	G	25.6	Very low	26.7	Very low	59 Å²	59	134.5 Å²	134.5	61%	0.608	78%	0.777	S	S	*	*			trans	-69.7	129.9	170.6	0	0	0	0	0	111.2	Y439	Y439-G441 PolarHBondContact O-N 3.2Å
442	E	25.5	Very low	26.5	Very low	190 Å²	190	134.8 Å²	134.8	89%	0.888	78%	0.779	S	S	*	*			trans	-128.9	126.5	152.3	-105.3	-174.6	167.1	0	0	110.1
443	V	29.3	Very low	26.5	Very low	148 Å²	148	131.9 Å²	131.9	90%	0.897	77%	0.773	S	S	*	*			trans	-76.3	126.1	-176.2	-179.1	0	0	0	0	108.7
444	A	24.3	Very low	26.4	Very low	84 Å²	84	137.3 Å²	137.3	69%	0.694	79%	0.79	S	S	*	*			trans	-83.2	130.1	169.7	0	0	0	0	0	110.7
445	E	25.6	Very low	26.3	Very low	175 Å²	175	139.9 Å²	139.9	82%	0.818	79%	0.788	S	S	*	*			trans	-165.8	159.2	146.2	-94.1	-38.4	135.2	0	0	107.6
446	P	35.3	Very low	26.3	Very low	107 Å²	107	146.3 Å²	146.3	70%	0.695	80%	0.801	S	S	*	*				-119.4	173.4	-119.9	37.4	-22	0	0	0	114.7
447	A	23.9	Very low	26.4	Very low	85 Å²	85	147.8 Å²	147.8	70%	0.702	81%	0.805	S	S	*	*			trans	99	113.8	149.7	0	0	0	0	0	119.3
448	L	25.6	Very low	26.2	Very low	157 Å²	157	143 Å²	143	82%	0.822	80%	0.804	S	S	*	*			trans	88.6	113.7	133.2	-66.9	169.4	0	0	0	121.1
449	T	26.3	Very low	26.3	Very low	125 Å²	125	139.7 Å²	139.7	77%	0.767	81%	0.805	S	S	*	*			trans	107.3	112.9	133.9	62.9	0	0	0	0	120.5
450	N	25.1	Very low	26.5	Very low	168 Å²	168	136.4 Å²	136.4	90%	0.898	81%	0.805	S	S	*	*			trans	42.2	121.2	140.2	-71.6	-5.3	0	0	0	121.7
451	G	23.4	Very low	26.6	Very low	68 Å²	68	134.6 Å²	134.6	70%	0.701	80%	0.802	S	S	*	*				129.7	119.8	117.7	0	0	0	0	0	118.2
452	S	24.5	Very low	26.7	Very low	111 Å²	111	140.1 Å²	140.1	78%	0.776	82%	0.816	S	S	*	*			trans	73.4	105.7	144.1	34.5	0	0	0	0	121.4
453	S	24.4	Very low	26.9	Very low	112 Å²	112	140.2 Å²	140.2	78%	0.783	81%	0.814	S	S	*	*				31.3	120.2	124.7	58.8	0	0	0	0	120.4
454	E	27	Very low	27.2	Very low	196 Å²	196	139 Å²	139	92%	0.916	81%	0.809	S	S	*	*				-166.1	141.9	123.7	-107.2	177.6	179.9	0	0	112.2
455	Q	27.6	Very low	27.5	Very low	181 Å²	181	143 Å²	143	85%	0.846	82%	0.819	S	S	*	*			trans	-74.5	146.3	179.5	-64.9	164.1	-39	0	0	110.8
456	H	27.5	Very low	27.7	Very low	194 Å²	194	142.5 Å²	142.5	90%	0.898	82%	0.821	S	S	*	*			trans	-157.9	146.9	143.5	-102.6	-69	0	0	0	114.1
457	R	27	Very low	27.8	Very low	235 Å²	235	143.4 Å²	143.4	89%	0.887	83%	0.827	S	S	*	*			trans	-66	157.3	-169.1	-73.2	170.2	162.3	178.7	-6.3	115.6
458	G	23.2	Very low	28.2	Very low	81 Å²	81	147.7 Å²	147.7	84%	0.835	84%	0.837	S	S	*	*			trans	-69.1	162.6	171.9	0	0	0	0	0	115.9
459	A	28.2	Very low	28.5	Very low	102 Å²	102	147.7 Å²	147.7	84%	0.843	84%	0.838	S	S	*	*			trans	-146.5	136.2	171.6	0	0	0	0	0	110.3
460	V	29.3	Very low	29.2	Very low	130 Å²	130	147.6 Å²	147.6	79%	0.788	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-79.7	147	178.4	178.7	0	0	0	0	109.9
461	P	29.9	Very low	29.6	Very low	119 Å²	119	148.3 Å²	148.3	77%	0.773	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-84.7	135.2	171.5	28.8	-25.4	0	0	0	112.8
462	L	28.2	Very low	30.9	Very low	174 Å²	174	150.6 Å²	150.6	91%	0.911	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-87.1	140.8	176.3	-85.3	118.9	0	0	0	111.8
463	F	30.1	Very low	31.1	Very low	193 Å²	193	149.2 Å²	149.2	85%	0.846	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-79.2	155.5	165.6	-80.7	-92.9	0	0	0	111.9
464	P	34.4	Very low	31.4	Very low	122 Å²	122	151.3 Å²	151.3	79%	0.792	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-93.1	131.4	168.5	32.3	-25.5	0	0	0	112.8
465	D	30.2	Very low	32.1	Very low	167 Å²	167	147.5 Å²	147.5	89%	0.893	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-78.4	141.3	177.1	-73.4	-43.9	0	0	0	113.2
466	L	30.4	Very low	32.4	Very low	166 Å²	166	144.6 Å²	144.6	87%	0.869	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-95.5	153.3	166.1	-80.2	165.9	0	0	0	111.3
467	P	37.8	Very low	32.9	Very low	126 Å²	126	141 Å²	141	82%	0.818	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-87.8	151.2	-170.7	-1.8	21.6	0	0	0	114.8
468	L	31.3	Very low	33	Very low	174 Å²	174	136.6 Å²	136.6	91%	0.911	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-84.1	151.8	-177.2	-67.6	159.8	0	0	0	114.6
469	D	32.8	Very low	33.2	Very low	157 Å²	157	135.6 Å²	135.6	84%	0.84	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-61.2	168.3	169.2	-74.1	-44.2	0	0	0	115.4
470	P	41.6	Very low	33.2	Very low	124 Å²	124	137.1 Å²	137.1	81%	0.805	81%	0.813	S	S	*	*			trans	-119.5	138.5	149.3	35.1	-21.9	0	0	0	114.1
471	E	33.3	Very low	33.2	Very low	182 Å²	182	137 Å²	137	85%	0.85	81%	0.813	S	S	*	*			trans	-94.1	-167.6	171.6	-63	-144.7	143.8	0	0	113.8
472	P	49.6	Very low	33.1	Very low	117 Å²	117	137.8 Å²	137.8	76%	0.76	81%	0.81	S	S	*	*				-131.2	174	-79.8	40.1	-22.3	0	0	0	114.5
473	G	28.8	Very low	33.1	Very low	81 Å²	81	137 Å²	137	84%	0.835	81%	0.805	S	S	*	*			trans	163.3	111.5	161.6	0	0	0	0	0	118.9
474	N	30.4	Very low	32.9	Very low	156 Å²	156	130.8 Å²	130.8	83%	0.834	80%	0.796	S	S	*	*			trans	-77.7	-174.9	-178.1	-121	-5.6	0	0	0	114.7
475	P	41.6	Very low	32.5	Very low	116 Å²	116	131.7 Å²	131.7	75%	0.753	80%	0.799	S	S	*	*			cis	-140.2	178.6	3.8	32.8	-7.7	0	0	0	118.4
476	V	34	Very low	32.5	Very low	120 Å²	120	131.8 Å²	131.8	73%	0.727	79%	0.794	S	S	*	*			trans	-64.7	164.8	179.2	-148.8	0	0	0	0	115.4
477	P	39.9	Very low	33.2	Very low	118 Å²	118	129.2 Å²	129.2	77%	0.766	79%	0.788	S	S	*	*				-153.2	145	89.3	36.4	-15.1	0	0	0	119
478	V	28.3	Very low	32.7	Very low	144 Å²	144	127.1 Å²	127.1	87%	0.873	78%	0.781	S	S	*	*				52.1	131.1	130	-170.2	0	0	0	0	123.6
479	G	27.7	Very low	32.5	Very low	59 Å²	59	124.5 Å²	124.5	61%	0.608	77%	0.772	S	S	*	*			trans	142.9	100	145	0	0	0	0	0	116.7
480	T	28.3	Very low	32.3	Very low	135 Å²	135	124.4 Å²	124.4	83%	0.828	77%	0.772	S	S	*	*				86	114.5	95.8	52.2	0	0	0	0	119
481	V	29	Very low	31.5	Very low	127 Å²	127	123.7 Å²	123.7	77%	0.77	77%	0.77	S	S	*	*			trans	37.9	126.1	132.5	-150.5	0	0	0	0	122.7
482	D	26.6	Very low	31.9	Very low	135 Å²	135	120 Å²	120	72%	0.722	76%	0.761	S	S	*	*				160	122.1	121	-105.5	-15.9	0	0	0	112.2
483	I	28.4	Very low	31	Very low	157 Å²	157	120.8 Å²	120.8	81%	0.805	76%	0.764	S	S	*	*				61.9	108.4	91.9	-57.3	-177.9	0	0	0	116.1
484	G	25.8	Very low	31.2	Very low	63 Å²	63	121.7 Å²	121.7	65%	0.649	76%	0.764	S	S	*	*				108.7	117.7	125.2	0	0	0	0	0	121.6
485	T	27.5	Very low	31.2	Very low	141 Å²	141	121.1 Å²	121.1	87%	0.865	76%	0.761	S	S	*	*			trans	93.5	100.2	133	-22.1	0	0	0	0	120.7
486	E	28.9	Very low	30.7	Very low	170 Å²	170	126.6 Å²	126.6	79%	0.794	77%	0.767	S	S	*	*				14.5	163.7	125.3	-73.2	-84.7	149.4	0	0	121
487	P	45.4	Very low	30.7	Very low	112 Å²	112	126.1 Å²	126.1	73%	0.727	77%	0.769	S	S	*	*			cis	-146.1	-174.6	17.5	29.9	-3.8	0	0	0	118.8
488	A	27.9	Very low	30.4	Very low	82 Å²	82	130.6 Å²	130.6	68%	0.678	77%	0.771	S	S	*	*			trans	94.4	133	146.4	0	0	0	0	0	117.9
489	T	26.4	Very low	30.8	Very low	119 Å²	119	130 Å²	130	73%	0.73	77%	0.768	S	S	*	*			cis	-170.6	147.1	12.8	28.8	0	0	0	0	109.9
490	N	27.8	Very low	30.9	Very low	155 Å²	155	133.2 Å²	133.2	83%	0.829	78%	0.775	S	S	*	*			trans	133.1	96.3	141.8	-70.8	-21.3	0	0	0	116
491	S	26.5	Very low	31.2	Very low	109 Å²	109	132.2 Å²	132.2	76%	0.762	77%	0.773	S	S	*	*			trans	-69.3	177.8	150.5	49.4	0	0	0	0	111.7
492	P	41.5	Very low	31.3	Very low	103 Å²	103	131 Å²	131	67%	0.669	77%	0.77	S	S	*	*			cis	-145.1	157.4	16.4	42.8	-22.3	0	0	0	119.1
493	T	30.9	Very low	31.8	Very low	134 Å²	134	130.6 Å²	130.6	82%	0.822	78%	0.778	S	S	*	*			trans	42.2	127.4	135.7	65.8	0	0	0	0	122.2
494	A	31.4	Very low	32.1	Very low	101 Å²	101	128 Å²	128	84%	0.835	77%	0.774	S	S	*	*				168.4	139.6	89.4	0	0	0	0	0	113.3
495	D	31.5	Very low	32.9	Very low	144 Å²	144	132 Å²	132	77%	0.77	79%	0.786	S	S	*	*			trans	-59.3	146.3	174.6	-166.3	0.6	0	0	0	114.5
496	R	30.9	Very low	33	Very low	230 Å²	230	128.2 Å²	128.2	87%	0.868	78%	0.775	S	S	*	*			trans	-172.5	108.1	148.4	-107.2	167.8	-174.7	-175.9	3	112.8
497	S	33.2	Very low	33.4	Very low	111 Å²	111	128.5 Å²	128.5	78%	0.776	78%	0.782	S	S	*	*			trans	-47.4	135.6	152	-69.2	0	0	0	0	112.2
498	R	33.8	Very low	32.9	Very low	212 Å²	212	128.5 Å²	128.5	80%	0.8	78%	0.78	S	S	*	*			trans	-154	113.2	150.8	-148.1	179.5	-85.8	-162.7	-4.6	111.2
499	T	36.6	Very low	33.3	Very low	132 Å²	132	130.5 Å²	130.5	81%	0.81	79%	0.786	S	S	*	*			trans	-45.1	135.1	156.8	46.7	0	0	0	0	111.4
500	V	30.6	Very low	34	Very low	125 Å²	125	133.8 Å²	133.8	76%	0.758	79%	0.79	S	S	*	*			trans	-128.5	102	162.4	-171.1	0	0	0	0	108.3	S502	V500-S502 PolarHBondContact O-N 2.8Å
501	S	33.6	Very low	34.8	Very low	114 Å²	114	133.1 Å²	133.1	80%	0.797	79%	0.792	S	S	*	*			trans	-58.9	126	154	-52.7	0	0	0	0	108.3
502	S	32.1	Very low	36.4	Very low	102 Å²	102	136 Å²	136	71%	0.713	79%	0.786	S	S	*	*			trans	-126.6	81.7	165.6	58.1	0	0	0	0	109.5	V500 S504	V500-S502 PolarHBondContact O-N 2.8Å; S502-S504 PolarHBondContact O-N 3.12Å
503	S	37.3	Very low	37.7	Very low	127 Å²	127	133.5 Å²	133.5	89%	0.888	77%	0.773	S	S	*	*			trans	-63.4	105.4	143.6	40.1	0	0	0	0	107.6
504	S	33.8	Very low	39.9	Very low	102 Å²	102	135.6 Å²	135.6	71%	0.713	77%	0.766	S	S	*	*			trans	-141.6	108.9	167.8	172.7	0	0	0	0	107.6	S502 G506	S502-S504 PolarHBondContact O-N 3.12Å; S504-G506 PolarHBondContact O-N 2.76Å
505	T	44.2	Very low	42.1	Very low	148 Å²	148	131 Å²	131	91%	0.908	73%	0.728	S	S	*	*			trans	-45.8	117.6	166.8	44.6	0	0	0	0	111
506	G	28.8	Very low	44.4	Very low	61 Å²	61	127.2 Å²	127.2	63%	0.629	72%	0.717	S	S	*	*			trans	-167.6	89.1	171.4	0	0	0	0	0	106.9	S504 T508	S504-G506 PolarHBondContact O-N 2.76Å; G506-T508 PolarHBondContact O-N 2.76Å
507	D	38.4	Very low	46.8	Very low	176 Å²	176	121.6 Å²	121.6	94%	0.941	70%	0.704	S	S	*	*			trans	-63.3	87.2	169.2	-96.7	-33.9	0	0	0	108.4
508	T	33.3	Very low	49.2	Very low	112 Å²	112	119.3 Å²	119.3	69%	0.687	68%	0.683	S	S	*	*			trans	-91	133.4	146.9	52	0	0	0	0	106.1	G506 K510	G506-T508 PolarHBondContact O-N 2.76Å; T508-K510 PolarHBondContact O-N 3.12Å
509	P	36.7	Very low	51.8	Low	123 Å²	123	110.9 Å²	110.9	80%	0.799	65%	0.654	S	S	*	*			trans	-61.6	109.8	175.9	24.1	-28.7	0	0	0	106.4	V511	P509-V511 PolarHBondContact O-N 2.99Å
510	K	42.1	Very low	54.3	Low	188 Å²	188	106.8 Å²	106.8	82%	0.817	63%	0.626	S	S	*	*			trans	-49.6	115.9	162	-81	-178.7	176.2	180	0	104.9	T508 R512	T508-K510 PolarHBondContact O-N 3.12Å; K510-R512 VanDerWaalsContact C-N 3.33Å; K510-R512 PolarHBondContact O-N 3.18Å
511	V	44.7	Very low	57.3	Low	142 Å²	142	104 Å²	104	86%	0.861	61%	0.607	S	S	*	*			trans	-50.8	107.2	168.7	178.4	0	0	0	0	104.9	P509 A513	P509-V511 PolarHBondContact O-N 2.99Å; V511-A513 PolarHBondContact O-N 3.45Å
512	R	60	Low	60.1	Low	169 Å²	169	98.5 Å²	98.5	64%	0.638	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-63.7	123.8	-179.4	-77.4	179.5	174.3	174.3	-4.2	105.6	E237 K510 R514	E237-R512 IonicContact OE1-NH1 3.97Å; K510-R512 VanDerWaalsContact C-N 3.33Å; K510-R512 PolarHBondContact O-N 3.18Å; R512-R514 PolarHBondContact O-N 3.11Å
513	A	67.1	Low	63.1	Low	50 Å²	50	96.2 Å²	96.2	41%	0.413	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-54.7	133.5	175.5	0	0	0	0	0	109.1	V511 D517	V511-A513 PolarHBondContact O-N 3.45Å; A513-D517 HydrophobicContact CB-CB 4.46Å
514	R	78.3	Confident	65.9	Low	179 Å²	179	91.7 Å²	91.7	68%	0.675	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-70	157.3	177.7	-70.2	-176.9	173.6	-178.6	-1.1	109.2	E234 R512 A516 D517	E234-R514 WeakPolarHBondContact OE1-CA 3.48Å; R512-R514 PolarHBondContact O-N 3.11Å; R514-A516 PolarHBondContact O-N 3.18Å; R514-D517 PolarHBondContact N-OD2 3.14Å; R514-D517 WeakPolarHBondContact O-CB 3.4Å; R514-D517 PolarHBondContact O-N 3.07Å; R514-D517 VanDerWaalsContact O-N 3.07Å
515	A	78.1	Confident	68.7	Low	4 Å²	4	90 Å²	90	3%	0.033	50%	0.501	C	S	.	.	G	3₁₀ helix	trans	-53.5	-41	173.5	0	0	0	0	0	111	F227 R230 M231 E234 D517 L518	F227-A515 HydrophobicContact CD2-CB 4.15Å; F227-A515 WeakPolarHBondContact CD2-O 3.44Å; F227-A515 HydrophobicContact CE2-CB 4Å; F227-A515 VanDerWaalsContact CE2-O 3.32Å; F227-A515 WeakPolarHBondContact CE2-O 3.47Å; R230-A515 HydrophobicContact CB-CB 3.99Å; R230-A515 HydrophobicContact CG-CB 3.81Å; M231-A515 HydrophobicContact CB-CB 4.32Å; E234-A515 PolarHBondContact OE1-N 2.65Å; E234-A515 WeakPolarHBondContact OE2-CB 3.37Å; A515-D517 PolarHBondContact O-N 3.25Å; A515-L518 WeakPolarHBondContact O-CB 3.48Å; A515-L518 PolarHBondContact O-N 3.08Å
516	A	78.1	Confident	71.2	Confident	64 Å²	64	92.5 Å²	92.5	53%	0.529	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-56	-34.3	178.6	0	0	0	0	0	113.9	R514 L518 L519	R514-A516 PolarHBondContact O-N 3.18Å; A516-L518 PolarHBondContact O-N 2.77Å; A516-L519 PolarHBondContact O-N 2.63Å
517	D	81.8	Confident	74.3	Confident	112 Å²	112	91.5 Å²	91.5	60%	0.599	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-70.8	-15.5	-178.5	-54.7	-32.8	0	0	0	112.8	A513 R514 A515	A513-D517 HydrophobicContact CB-CB 4.46Å; R514-D517 PolarHBondContact N-OD2 3.14Å; R514-D517 WeakPolarHBondContact O-CB 3.4Å; R514-D517 PolarHBondContact O-N 3.07Å; R514-D517 VanDerWaalsContact O-N 3.07Å; A515-D517 PolarHBondContact O-N 3.25Å
518	L	84.3	Confident	76.9	Confident	63 Å²	63	83.5 Å²	83.5	33%	0.33	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-92.6	-5.2	-179.7	-59	172.9	0	0	0	112.8	V226 F227 R230 A515 A516	V226-L518 HydrophobicContact CG1-CD1 3.97Å; F227-L518 HydrophobicContact CB-CB 4.28Å; F227-L518 HydrophobicContact CD2-CB 4.35Å; R230-L518 HydrophobicContact CB-CD1 4.03Å; R230-L518 HydrophobicContact CG-CD1 4.25Å; A515-L518 WeakPolarHBondContact O-CB 3.48Å; A515-L518 PolarHBondContact O-N 3.08Å; A516-L518 PolarHBondContact O-N 2.77Å
519	L	87	Confident	79.8	Confident	36 Å²	36	85.5 Å²	85.5	19%	0.188	44%	0.439	C	S	.	.	S	Bend	trans	-74.2	133.1	178.2	-74	173.4	0	0	0	110.8	V223 F227 A516 N521	V223-L519 HydrophobicContact CG1-CD2 3.68Å; F227-L519 HydrophobicContact CD1-CD2 4.23Å; F227-L519 HydrophobicContact CD2-CD2 3.74Å; F227-L519 HydrophobicContact CD2-CG 3.84Å; F227-L519 HydrophobicContact CE1-CD2 3.9Å; F227-L519 HydrophobicContact CE2-CD1 3.87Å; F227-L519 HydrophobicContact CE2-CD2 3.45Å; F227-L519 VanDerWaalsContact CE2-CD2 3.45Å; F227-L519 HydrophobicContact CE2-CG 3.43Å; F227-L519 VanDerWaalsContact CE2-CG 3.43Å; F227-L519 HydrophobicContact CG-CD2 4.12Å; F227-L519 HydrophobicContact CZ-CD1 4.11Å; F227-L519 HydrophobicContact CZ-CD2 3.52Å; F227-L519 HydrophobicContact CZ-CG 3.93Å; A516-L519 PolarHBondContact O-N 2.63Å; L519-N521 PolarHBondContact O-N 2.93Å
520	I	90.6	Very high	82.5	Confident	46 Å²	46	82.8 Å²	82.8	24%	0.236	42%	0.423	C	S	.	.			trans	-65.6	119.6	170	-59.8	176.3	0	0	0	108	M221 P522 N527 S530 I531	M221-I520 HydrophobicContact CE-CB 4.38Å; M221-I520 WeakPolarHBondContact CE-O 3.4Å; I520-P522 VanDerWaalsContact O-CD 3.29Å; I520-P522 WeakPolarHBondContact O-CD 3.35Å; I520-N527 HydrophobicContact CG2-CB 3.8Å; I520-S530 WeakPolarHBondContact CD1-O 3.49Å; I520-I531 HydrophobicContact CG2-CG1 4.12Å
521	N	92.9	Very high	85.1	Confident	65 Å²	65	73.9 Å²	73.9	35%	0.348	38%	0.384	S	S	.	.			trans	-85.9	111	178.6	-176.7	0.8	0	0	0	110.4	W175 L519 L523 D524 N527	W175-N521 WeakPolarHBondContact CZ3-OD1 3.45Å; L519-N521 PolarHBondContact O-N 2.93Å; N521-L523 PolarHBondContact O-N 3.36Å; N521-L523 VanDerWaalsContact OD1-CB 3.24Å; N521-L523 WeakPolarHBondContact OD1-CB 3.27Å; N521-L523 WeakPolarHBondContact OD1-CG 3.13Å; N521-L523 PolarHBondContact OD1-N 3.39Å; N521-D524 PolarHBondContact O-N 3.17Å; N521-N527 PolarHBondContact O-ND2 3.34Å
522	P	93.4	Very high	87.6	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-8.8	178.6	33.8	-37.1	0	0	0	113.7	W175 L184 P185 C188 M221 I520 D524 I531	W175-P522 HydrophobicContact CB-CG 3.99Å; W175-P522 VanDerWaalsContact CD2-CD 3.49Å; W175-P522 HydrophobicContact CD2-CG 3.33Å; W175-P522 VanDerWaalsContact CE3-CD 3.44Å; W175-P522 HydrophobicContact CE3-CG 3.6Å; W175-P522 HydrophobicContact CG-CG 3.53Å; W175-P522 HydrophobicContact CH2-CG 4.48Å; W175-P522 HydrophobicContact CZ2-CG 4.29Å; W175-P522 VanDerWaalsContact CZ3-CD 3.48Å; W175-P522 HydrophobicContact CZ3-CG 4.18Å; L184-P522 HydrophobicContact CD2-CB 4.05Å; L184-P522 HydrophobicContact CD2-CG 4.42Å; P185-P522 WeakPolarHBondContact CD-O 3.46Å; C188-P522 PolarHBondContact SG-O 3.38Å; M221-P522 HydrophobicContact CE-CB 4.46Å; M221-P522 HydrophobicContact CE-CG 4.44Å; M221-P522 HydrophobicContact SD-CB 4.31Å; M221-P522 HydrophobicContact SD-CG 3.91Å; I520-P522 VanDerWaalsContact O-CD 3.29Å; I520-P522 WeakPolarHBondContact O-CD 3.35Å; P522-D524 VanDerWaalsContact C-N 3.27Å; P522-I531 HydrophobicContact CB-CD1 3.79Å; P522-I531 HydrophobicContact CB-CG1 4.42Å
523	L	94.5	Very high	89.4	Confident	53 Å²	53	64.7 Å²	64.7	28%	0.277	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-13.9	173.7	-52.9	178.1	0	0	0	112.5	W175 K178 L184 P185 N521	W175-L523 HydrophobicContact CE3-CG 4.38Å; K178-L523 HydrophobicContact CB-CD1 4.38Å; L184-L523 HydrophobicContact CG-CD2 4.21Å; P185-L523 WeakPolarHBondContact CG-O 3.23Å; N521-L523 PolarHBondContact O-N 3.36Å; N521-L523 VanDerWaalsContact OD1-CB 3.24Å; N521-L523 WeakPolarHBondContact OD1-CB 3.27Å; N521-L523 WeakPolarHBondContact OD1-CG 3.13Å; N521-L523 PolarHBondContact OD1-N 3.39Å
524	D	95.1	Very high	90.9	Very high	32 Å²	32	63.2 Å²	63.2	17%	0.171	32%	0.318	C	S	.	.	S	Bend	trans	-92.6	116.1	173	-174.5	-17.3	0	0	0	109.9	N521 P522 R526 N527	N521-D524 PolarHBondContact O-N 3.17Å; P522-D524 VanDerWaalsContact C-N 3.27Å; D524-R526 PolarHBondContact O-N 2.99Å; D524-R526 VanDerWaalsContact O-N 3.07Å; D524-R526 WeakPolarHBondContact OD1-CB 3.42Å; D524-R526 WeakPolarHBondContact OD1-CG 3.24Å; D524-R526 IonicContact OD1-CZ 3.59Å; D524-R526 PolarHBondContact OD1-N 3.05Å; D524-R526 IonicContact OD1-NE 3.89Å; D524-R526 PolarHBondContact OD1-NE 3.35Å; D524-R526 IonicContact OD1-NH2 2.79Å; D524-R526 IonicContact OD2-CZ 3.81Å; D524-R526 VanDerWaalsContact OD2-CZ 3.27Å; D524-R526 IonicContact OD2-NE 3.62Å; D524-R526 PolarHBondContact OD2-NE 2.99Å; D524-R526 VanDerWaalsContact OD2-NE 3.1Å; D524-R526 IonicContact OD2-NH2 2.77Å; D524-R526 PolarHBondContact OD2-NH2 2.86Å; D524-N527 WeakPolarHBondContact O-CB 3.34Å; D524-N527 PolarHBondContact O-N 3.31Å
525	P	94.2	Very high	91.9	Very high	68 Å²	68	54.7 Å²	54.7	44%	0.442	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-59.9	-23	-177.8	24	-34.2	0	0	0	113.6	P185 P187 N527 A528	P185-P525 HydrophobicContact CB-CB 3.92Å; P185-P525 HydrophobicContact CG-CB 4.41Å; P187-P525 HydrophobicContact CG-CB 4.48Å; P525-N527 PolarHBondContact O-N 2.81Å; P525-A528 WeakPolarHBondContact O-CB 3.32Å; P525-A528 PolarHBondContact O-N 3.01Å
526	R	94.9	Very high	92.8	Very high	199 Å²	199	54.9 Å²	54.9	75%	0.751	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-69.4	-18.3	179.2	-60.5	174.1	-65.9	176.5	1.9	112.9	D524 A528	D524-R526 PolarHBondContact O-N 2.99Å; D524-R526 VanDerWaalsContact O-N 3.07Å; D524-R526 WeakPolarHBondContact OD1-CB 3.42Å; D524-R526 WeakPolarHBondContact OD1-CG 3.24Å; D524-R526 IonicContact OD1-CZ 3.59Å; D524-R526 PolarHBondContact OD1-N 3.05Å; D524-R526 IonicContact OD1-NE 3.89Å; D524-R526 PolarHBondContact OD1-NE 3.35Å; D524-R526 IonicContact OD1-NH2 2.79Å; D524-R526 IonicContact OD2-CZ 3.81Å; D524-R526 VanDerWaalsContact OD2-CZ 3.27Å; D524-R526 IonicContact OD2-NE 3.62Å; D524-R526 PolarHBondContact OD2-NE 2.99Å; D524-R526 VanDerWaalsContact OD2-NE 3.1Å; D524-R526 IonicContact OD2-NH2 2.77Å; D524-R526 PolarHBondContact OD2-NH2 2.86Å; R526-A528 VanDerWaalsContact C-N 3.33Å
527	N	94.8	Very high	93.5	Very high	40 Å²	40	54.7 Å²	54.7	21%	0.214	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-87.3	-1.2	-179.5	-68.5	-25.2	0	0	0	113.1	I520 N521 D524 P525 D529 S530 I531	I520-N527 HydrophobicContact CG2-CB 3.8Å; N521-N527 PolarHBondContact O-ND2 3.34Å; D524-N527 WeakPolarHBondContact O-CB 3.34Å; D524-N527 PolarHBondContact O-N 3.31Å; P525-N527 PolarHBondContact O-N 2.81Å; N527-D529 VanDerWaalsContact C-N 3.27Å; N527-D529 PolarHBondContact O-N 3.18Å; N527-D529 VanDerWaalsContact O-N 3.14Å; N527-S530 WeakPolarHBondContact O-CA 3.09Å; N527-S530 WeakPolarHBondContact O-CB 3.37Å; N527-S530 PolarHBondContact O-N 3.36Å; N527-I531 WeakPolarHBondContact O-CG1 3.43Å; N527-I531 PolarHBondContact O-N 2.84Å
528	A	93.6	Very high	94.2	Very high	9 Å²	9	49.4 Å²	49.4	7%	0.074	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-43.2	-174.5	0	0	0	0	0	114.1	P187 S191 P525 R526 S530	P187-A528 HydrophobicContact CB-CB 3.74Å; S191-A528 WeakPolarHBondContact CB-O 3.42Å; S191-A528 PolarHBondContact OG-O 2.79Å; P525-A528 WeakPolarHBondContact O-CB 3.32Å; P525-A528 PolarHBondContact O-N 3.01Å; R526-A528 VanDerWaalsContact C-N 3.33Å; A528-S530 VanDerWaalsContact C-N 3.34Å
529	D	93	Very high	94.6	Very high	154 Å²	154	47.2 Å²	47.2	82%	0.824	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-20.4	-179.7	-64.8	-30.2	0	0	0	113.5	N527	N527-D529 VanDerWaalsContact C-N 3.27Å; N527-D529 PolarHBondContact O-N 3.18Å; N527-D529 VanDerWaalsContact O-N 3.14Å
530	S	94.5	Very high	95	Very high	66 Å²	66	49.8 Å²	49.8	46%	0.462	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-20	179.1	-55.7	0	0	0	0	112.4	I520 N527 A528 R532	I520-S530 WeakPolarHBondContact CD1-O 3.49Å; N527-S530 WeakPolarHBondContact O-CA 3.09Å; N527-S530 WeakPolarHBondContact O-CB 3.37Å; N527-S530 PolarHBondContact O-N 3.36Å; A528-S530 VanDerWaalsContact C-N 3.34Å; S530-R532 PolarHBondContact O-N 3.14Å
531	I	95.5	Very high	95.3	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	25%	0.245	C	C	.	.			trans	-65.2	124.9	178.5	-68.6	163.2	0	0	0	109.4	C188 I192 Q195 M221 I520 P522 N527 V533	C188-I531 HydrophobicContact CB-CD1 3.67Å; I192-I531 HydrophobicContact CD1-CG2 4.43Å; I192-I531 HydrophobicContact CG1-CG2 3.83Å; Q195-I531 PolarHBondContact NE2-O 3.35Å; M221-I531 HydrophobicContact CE-CG1 4.43Å; M221-I531 HydrophobicContact CE-CG2 4.39Å; I520-I531 HydrophobicContact CG2-CG1 4.12Å; P522-I531 HydrophobicContact CB-CD1 3.79Å; P522-I531 HydrophobicContact CB-CG1 4.42Å; N527-I531 WeakPolarHBondContact O-CG1 3.43Å; N527-I531 PolarHBondContact O-N 2.84Å; I531-V533 HydrophobicContact CG2-CG1 4.02Å
532	R	97.7	Very high	95.6	Very high	116 Å²	116	44.6 Å²	44.6	44%	0.438	23%	0.229	S	C	.	.			trans	-121	133.9	171.5	-63.7	-59.7	-59	-89.6	-7.4	109.3	M143 Q195 M221 C222 S530	M143-R532 VanDerWaalsContact CE-NH2 3.33Å; Q195-R532 VanDerWaalsContact OE1-CA 3.29Å; Q195-R532 VanDerWaalsContact OE1-NE 3.13Å; M221-R532 CarbonylContact C-O 3.52Å; M221-R532 WeakPolarHBondContact CA-O 3.46Å; C222-R532 HydrophobicContact CB-CB 3.78Å; C222-R532 PolarHBondContact N-O 2.98Å; S530-R532 PolarHBondContact O-N 3.14Å
533	V	98.4	Very high	95.8	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.006	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	154.9	-179.9	-63.8	0	0	0	0	111.6	L172 I192 Q195 V196 I219 L220 M221 I531	L172-V533 HydrophobicContact CD2-CG1 4.47Å; I192-V533 HydrophobicContact CG1-CG1 4.15Å; I192-V533 HydrophobicContact CG2-CG2 4.36Å; Q195-V533 HydrophobicContact CB-CG2 3.53Å; Q195-V533 HydrophobicContact CG-CG2 4.4Å; Q195-V533 VanDerWaalsContact OE1-N 3.11Å; V196-V533 HydrophobicContact CG2-CG2 4.46Å; I219-V533 HydrophobicContact CG2-CB 3.83Å; I219-V533 HydrophobicContact CG2-CG1 4.24Å; I219-V533 HydrophobicContact CG2-CG2 4.18Å; L220-V533 CarbonylContact O-C 3.56Å; L220-V533 VanDerWaalsContact O-CA 3.24Å; L220-V533 WeakPolarHBondContact O-CA 3.33Å; M221-V533 HydrophobicContact CG-CG1 4.11Å; I531-V533 HydrophobicContact CG2-CG1 4.02Å
534	K	98.7	Very high	95.9	Very high	19 Å²	19	47.6 Å²	47.6	8%	0.083	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	145.6	172.6	-56.9	-165	-175.9	-157.9	0	111.5	D142 M143 E166 L168 L220	D142-K534 VanDerWaalsContact O-CD 3.22Å; D142-K534 WeakPolarHBondContact O-CD 3.47Å; D142-K534 WeakPolarHBondContact O-CE 3.33Å; D142-K534 WeakPolarHBondContact O-CG 3.46Å; D142-K534 PolarHBondContact O-NZ 3.2Å; D142-K534 VanDerWaalsContact O-NZ 3.15Å; M143-K534 CarbonylContact O-C 3.56Å; M143-K534 VanDerWaalsContact O-CA 3.29Å; M143-K534 WeakPolarHBondContact O-CA 3.3Å; E166-K534 WeakPolarHBondContact OE1-CD 3.41Å; E166-K534 IonicContact OE1-NZ 3.85Å; E166-K534 PolarHBondContact OE1-NZ 2.98Å; E166-K534 WeakPolarHBondContact OE2-CE 3.49Å; E166-K534 IonicContact OE2-NZ 2.9Å; E166-K534 PolarHBondContact OE2-NZ 3.2Å; L168-K534 HydrophobicContact CD1-CB 4.32Å; L168-K534 HydrophobicContact CD1-CD 4.44Å; L168-K534 HydrophobicContact CD2-CD 4.08Å; L168-K534 HydrophobicContact CD2-CG 4.35Å; L220-K534 PolarHBondContact N-O 3.34Å; L220-K534 PolarHBondContact O-N 3.27Å
535	I	98.8	Very high	96	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	127.3	166.9	-55	174.4	0	0	0	108.1	M143 V145 V196 L200 L203 H211 I214 I219	M143-I535 PolarHBondContact O-N 3.11Å; V145-I535 PolarHBondContact N-O 2.88Å; V196-I535 HydrophobicContact CG1-CD1 4.38Å; V196-I535 HydrophobicContact CG1-CG1 4.5Å; L200-I535 HydrophobicContact CD2-CD1 3.98Å; L200-I535 HydrophobicContact CG-CD1 3.88Å; L203-I535 HydrophobicContact CD1-CD1 4.32Å; H211-I535 VanDerWaalsContact CD2-CG2 3.47Å; H211-I535 WeakPolarHBondContact CD2-CG2 3.48Å; H211-I535 WeakPolarHBondContact NE2-CG2 3.4Å; I214-I535 HydrophobicContact CD1-CD1 4.39Å; I214-I535 HydrophobicContact CD1-CG2 3.94Å; I219-I535 HydrophobicContact CD1-CB 4.41Å; I219-I535 HydrophobicContact CD1-CG1 3.97Å
536	A	96.8	Very high	96.1	Very high	9 Å²	9	55.4 Å²	55.4	7%	0.074	27%	0.271	C	S	.	.			trans	-125	172.9	178	0	0	0	0	0	111	V145 H211 N218 L220	V145-A536 HydrophobicContact CB-CB 4.41Å; V145-A536 HydrophobicContact CG1-CB 4.31Å; H211-A536 PolarHBondContact NE2-O 3Å; H211-A536 VanDerWaalsContact NE2-O 3.11Å; N218-A536 PolarHBondContact O-N 3.16Å; L220-A536 HydrophobicContact CD1-CB 3.59Å; L220-A536 HydrophobicContact CG-CB 3.78Å
537	D	93.8	Very high	96.1	Very high	59 Å²	59	49 Å²	49	32%	0.316	25%	0.25	S	C	.	.			trans	60	78.9	179	-159.6	1.6	0	0	0	115.5	K109 H211 G539	K109-D537 IonicContact NZ-OD1 3.86Å; H211-D537 PolarHBondContact CE1-O 3.22Å; H211-D537 PolarHBondContact NE2-O 3.01Å; D537-G539 PolarHBondContact O-N 2.61Å; D537-G539 PolarHBondContact OD1-N 3.12Å; D537-G539 VanDerWaalsContact OD1-N 3.17Å
538	L	95.9	Very high	96.1	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	16	173.9	-81.2	71.1	0	0	0	112.3	E124 L127 L128 V131 V144 V145 N540 A541	E124-L538 HydrophobicContact CG-CB 4.43Å; L127-L538 HydrophobicContact CB-CD2 4.35Å; L128-L538 HydrophobicContact CD2-CD1 4.33Å; L128-L538 HydrophobicContact CD2-CD2 4.21Å; V131-L538 HydrophobicContact CG2-CD2 3.79Å; V144-L538 HydrophobicContact CG1-CD1 4.27Å; V145-L538 HydrophobicContact CG1-CD1 4.48Å; L538-N540 VanDerWaalsContact C-N 3.26Å; L538-N540 PolarHBondContact O-N 3.4Å; L538-A541 HydrophobicContact CB-CB 4Å; L538-A541 HydrophobicContact CG-CB 4.14Å; L538-A541 WeakPolarHBondContact O-CB 3.46Å; L538-A541 PolarHBondContact O-N 3.33Å; L538-A541 VanDerWaalsContact O-N 3.14Å
539	G	92.9	Very high	96.1	Very high	17 Å²	17	54.1 Å²	54.1	18%	0.175	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-29.5	-177.3	0	0	0	0	0	114.1	D537	D537-G539 PolarHBondContact O-N 2.61Å; D537-G539 PolarHBondContact OD1-N 3.12Å; D537-G539 VanDerWaalsContact OD1-N 3.17Å
540	N	95	Very high	96.2	Very high	91 Å²	91	51.8 Å²	51.8	49%	0.487	26%	0.258	S	S	.	.	S	Bend	trans	-97.7	-9.7	175.5	-68	-36	0	0	0	113.3	T212 D213 L538	T212-N540 PolarHBondContact OG1-O 3.12Å; D213-N540 HydrophobicContact CB-CB 4.31Å; L538-N540 VanDerWaalsContact C-N 3.26Å; L538-N540 PolarHBondContact O-N 3.4Å
541	A	97.8	Very high	96.1	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.264	C	S	.	.			trans	-64.5	156.5	-175.6	0	0	0	0	0	111.7	L127 I209 I210 H211 L538 F548	L127-A541 HydrophobicContact CD1-CB 4.09Å; L127-A541 VanDerWaalsContact CD1-O 3.3Å; L127-A541 WeakPolarHBondContact CD1-O 3.46Å; I209-A541 HydrophobicContact CG2-CB 4.07Å; I210-A541 CarbonylContact O-C 3.21Å; I210-A541 VanDerWaalsContact O-CA 3.27Å; I210-A541 WeakPolarHBondContact O-CA 3.2Å; I210-A541 WeakPolarHBondContact O-CB 3.01Å; H211-A541 VanDerWaalsContact O-CA 3.3Å; H211-A541 WeakPolarHBondContact O-CA 3.41Å; H211-A541 PolarHBondContact O-N 2.98Å; L538-A541 HydrophobicContact CB-CB 4Å; L538-A541 HydrophobicContact CG-CB 4.14Å; L538-A541 WeakPolarHBondContact O-CB 3.46Å; L538-A541 PolarHBondContact O-N 3.33Å; L538-A541 VanDerWaalsContact O-N 3.14Å; A541-F548 WeakPolarHBondContact O-CD2 3.28Å; A541-F548 VanDerWaalsContact O-CE2 3.25Å; A541-F548 WeakPolarHBondContact O-CE2 3.44Å
542	C	98	Very high	96.2	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.007	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	171.2	177.8	69.2	0	0	0	0	111.4	I209 I210 F548	I209-C542 CarbonylContact C-O 3.6Å; I209-C542 WeakPolarHBondContact CA-O 3.29Å; I210-C542 PolarHBondContact N-O 3.3Å; I210-C542 PolarHBondContact O-N 2.82Å; C542-F548 HydrophobicContact CB-CD2 3.71Å; C542-F548 HydrophobicContact CB-CE2 4.07Å; C542-F548 HydrophobicContact CB-CG 4.31Å
543	W	98.3	Very high	96.1	Very high	53 Å²	53	49.1 Å²	49.1	20%	0.201	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	145.1	175.9	-59.7	91.4	0	0	0	110.1	L127 C130 C207 K208 I209 H545 K546 H547	L127-W543 HydrophobicContact CD2-CD2 3.96Å; L127-W543 HydrophobicContact CD2-CG 4.22Å; L127-W543 HydrophobicContact CD2-CZ2 4.01Å; C130-W543 HydrophobicContact CB-CH2 3.29Å; C130-W543 HydrophobicContact CB-CZ2 3.97Å; C130-W543 HydrophobicContact CB-CZ3 4.1Å; C130-W543 WeakPolarHBondContact SG-CH2 3.34Å; C130-W543 WeakPolarHBondContact SG-CZ3 3.22Å; C207-W543 WeakPolarHBondContact O-CZ3 3.09Å; K208-W543 WeakPolarHBondContact O-CA 3.4Å; I209-W543 HydrophobicContact CD1-CZ3 4.36Å; I209-W543 HydrophobicContact CG1-CD2 4.32Å; I209-W543 HydrophobicContact CG1-CE3 3.81Å; I209-W543 HydrophobicContact CG1-CZ3 4Å; W543-H545 AromaticContact CE3-CE1 3.96Å; W543-H545 AromaticContact CG-CE1 3.92Å; W543-H545 PolarHBondContact O-N 2.85Å; W543-K546 HydrophobicContact CB-CB 4.17Å; W543-K546 PolarHBondContact N-O 2.93Å; W543-K546 CarbonylContact O-C 3.58Å; W543-K546 PolarHBondContact O-N 3.46Å; W543-K546 VanDerWaalsContact O-O 3.12Å; W543-H547 PolarHBondContact O-CD2 3.23Å
544	V	97.3	Very high	96	Very high	64 Å²	64	50.2 Å²	50.2	39%	0.388	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-28.8	175.1	174	0	0	0	0	112.4	K208 I210 T570	K208-V544 HydrophobicContact CB-CB 4.47Å; K208-V544 HydrophobicContact CB-CG2 4.39Å; K208-V544 WeakPolarHBondContact O-CG2 3.42Å; K208-V544 PolarHBondContact O-N 3.46Å; I210-V544 HydrophobicContact CD1-CG2 4.09Å; I210-V544 HydrophobicContact CG1-CG2 3.69Å; V544-T570 HydrophobicContact CG2-CG2 3.72Å
545	H	95.9	Very high	95.7	Very high	148 Å²	148	52.5 Å²	52.5	69%	0.685	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-1.4	-179.7	64.4	-85.5	0	0	0	113.8	W543	W543-H545 AromaticContact CE3-CE1 3.96Å; W543-H545 AromaticContact CG-CE1 3.92Å; W543-H545 PolarHBondContact O-N 2.85Å
546	K	95.9	Very high	95.5	Very high	116 Å²	116	54.3 Å²	54.3	50%	0.504	27%	0.271	S	S	.	.	B	Isolated β-bridge	trans	-151.5	94.6	-178.6	-172.4	-171.3	176.6	-169.2	0	110.4	W543 F548	W543-K546 HydrophobicContact CB-CB 4.17Å; W543-K546 PolarHBondContact N-O 2.93Å; W543-K546 CarbonylContact O-C 3.58Å; W543-K546 PolarHBondContact O-N 3.46Å; W543-K546 VanDerWaalsContact O-O 3.12Å; K546-F548 HydrophobicContact CD-CE1 4.4Å
547	H	96.4	Very high	95.6	Very high	65 Å²	65	54 Å²	54	30%	0.301	27%	0.267	S	S	.	.			trans	-78	142.8	173.5	-62.2	178.4	0	0	0	110.9	W543 E550 Y568	W543-H547 PolarHBondContact O-CD2 3.23Å; H547-E550 IonicContact ND1-OE1 2.9Å; H547-Y568 WeakPolarHBondContact CB-OH 3.49Å; H547-Y568 AromaticContact CD2-CE2 3.92Å; H547-Y568 AromaticContact CD2-CZ 3.93Å; H547-Y568 AromaticContact CE1-CD2 3.99Å; H547-Y568 AromaticContact CE1-CE1 3.96Å; H547-Y568 AromaticContact CE1-CE2 3.74Å; H547-Y568 AromaticContact CE1-CZ 3.75Å; H547-Y568 PolarHBondContact CE1-O 2.89Å; H547-Y568 VanDerWaalsContact CE1-O 3.31Å; H547-Y568 AromaticContact CG-CZ 3.54Å; H547-Y568 AromaticContact ND1-CE1 3.52Å; H547-Y568 AromaticContact ND1-CE2 3.89Å; H547-Y568 AromaticContact ND1-CZ 3.42Å; H547-Y568 AromaticContact NE2-CE2 3.8Å
548	F	93.6	Very high	95.7	Very high	86 Å²	86	53.8 Å²	53.8	38%	0.377	26%	0.262	S	S	.	.	S	Bend	trans	-93.5	-34.1	175.4	-62.2	-47.3	0	0	0	112.6	D123 L127 A541 C542 K546	D123-F548 HydrophobicContact CB-CE2 4.46Å; D123-F548 HydrophobicContact CB-CZ 4.11Å; L127-F548 HydrophobicContact CD1-CE2 4.27Å; A541-F548 WeakPolarHBondContact O-CD2 3.28Å; A541-F548 VanDerWaalsContact O-CE2 3.25Å; A541-F548 WeakPolarHBondContact O-CE2 3.44Å; C542-F548 HydrophobicContact CB-CD2 3.71Å; C542-F548 HydrophobicContact CB-CE2 4.07Å; C542-F548 HydrophobicContact CB-CG 4.31Å; K546-F548 HydrophobicContact CD-CE1 4.4Å
549	T	94.5	Very high	95.8	Very high	69 Å²	69	53.7 Å²	53.7	42%	0.423	26%	0.262	S	S	.	.			trans	-150.3	159	178.5	179.7	0	0	0	0	110	D551 I552 Y568	T549-D551 VanDerWaalsContact CG2-O 3.25Å; T549-D551 WeakPolarHBondContact CG2-O 3.48Å; T549-D551 PolarHBondContact OG1-N 3.31Å; T549-D551 VanDerWaalsContact OG1-N 3.1Å; T549-I552 HydrophobicContact CG2-CG2 3.88Å; T549-Y568 WeakPolarHBondContact O-CE1 3.41Å; T549-Y568 PolarHBondContact O-OH 3.38Å
550	E	93.8	Very high	96	Very high	105 Å²	105	52.9 Å²	52.9	49%	0.491	25%	0.254	S	S	.	.	S	Bend	trans	-95	-13.9	170.5	-62.6	-62.9	145.8	0	0	112.4	H547 I552	H547-E550 IonicContact ND1-OE1 2.9Å; E550-I552 PolarHBondContact O-N 2.75Å
551	D	94.1	Very high	96.1	Very high	108 Å²	108	48.6 Å²	48.6	58%	0.578	23%	0.231	S	C	*	.			trans	-91.5	98.5	172.5	-172.4	17.8	0	0	0	109.2	T549 R558	T549-D551 VanDerWaalsContact CG2-O 3.25Å; T549-D551 WeakPolarHBondContact CG2-O 3.48Å; T549-D551 PolarHBondContact OG1-N 3.31Å; T549-D551 VanDerWaalsContact OG1-N 3.1Å; D551-R558 IonicContact OD1-CZ 2.88Å; D551-R558 IonicContact OD1-NH2 3.64Å
552	I	96.4	Very high	96	Very high	10 Å²	10	49.3 Å²	49.3	5%	0.051	24%	0.235	C	C	.	.			trans	-130.1	172	-176.6	62.5	159.6	0	0	0	111.1	T212 T549 E550 R558 V562 Y568	T212-I552 HydrophobicContact CG2-CD1 4.09Å; T212-I552 HydrophobicContact CG2-CG2 4.3Å; T549-I552 HydrophobicContact CG2-CG2 3.88Å; E550-I552 PolarHBondContact O-N 2.75Å; I552-R558 PolarHBondContact O-NE 3.01Å; I552-V562 HydrophobicContact CD1-CG2 3.79Å; I552-V562 HydrophobicContact CG1-CB 4.48Å; I552-V562 HydrophobicContact CG1-CG1 3.95Å; I552-V562 HydrophobicContact CG1-CG2 3.65Å; I552-Y568 HydrophobicContact CD1-CD1 3.84Å; I552-Y568 HydrophobicContact CD1-CD2 3.52Å; I552-Y568 HydrophobicContact CD1-CE1 4.05Å; I552-Y568 HydrophobicContact CD1-CE2 3.75Å; I552-Y568 HydrophobicContact CD1-CG 3.55Å; I552-Y568 HydrophobicContact CG1-CD1 4.34Å; I552-Y568 HydrophobicContact CG1-CE1 4.41Å; I552-Y568 HydrophobicContact CG1-CG 4.49Å; I552-Y568 HydrophobicContact CG2-CE1 4.33Å
553	Q	97.1	Very high	95.8	Very high	10 Å²	10	49.9 Å²	49.9	5%	0.047	24%	0.238	C	C	.	.	S	Bend	trans	64.9	138.3	179.5	-55.3	172	-71.4	0	0	113.6	T212 Y557 R558 S559 A572 S576	T212-Q553 WeakPolarHBondContact O-CA 3.39Å; T212-Q553 WeakPolarHBondContact O-CG 3.45Å; T212-Q553 PolarHBondContact O-N 3.21Å; Q553-Y557 PolarHBondContact NE2-O 3.22Å; Q553-R558 HydrophobicContact CB-CB 4.02Å; Q553-R558 HydrophobicContact CB-CG 4.17Å; Q553-R558 PolarHBondContact O-NE 3.47Å; Q553-R558 PolarHBondContact O-NH2 2.89Å; Q553-S559 PolarHBondContact OE1-OG 2.93Å; Q553-A572 PolarHBondContact NE2-O 2.79Å; Q553-S576 PolarHBondContact NE2-OG 2.99Å
554	T	94.6	Very high	95.6	Very high	24 Å²	24	47.3 Å²	47.3	15%	0.147	23%	0.228	C	C	.	.			trans	-64.1	145.8	166.4	-63.3	0	0	0	0	110.1	D213 K215 Q556 Y557 R558	D213-T554 WeakPolarHBondContact OD1-CB 3.41Å; D213-T554 PolarHBondContact OD1-N 3.19Å; D213-T554 VanDerWaalsContact OD1-N 3.08Å; D213-T554 PolarHBondContact OD1-OG1 3.31Å; K215-T554 HydrophobicContact CD-CG2 4.32Å; K215-T554 WeakPolarHBondContact CD-OG1 3.4Å; K215-T554 PolarHBondContact NZ-OG1 2.99Å; T554-Q556 PolarHBondContact O-N 3.09Å; T554-Y557 HydrophobicContact CG2-CD2 3.98Å; T554-Y557 HydrophobicContact CG2-CE2 4.07Å; T554-Y557 CarbonylContact O-C 3.53Å; T554-Y557 PolarHBondContact O-N 3.25Å; T554-R558 PolarHBondContact O-N 3.07Å; T554-R558 VanDerWaalsContact O-N 3.12Å
555	R	92.4	Very high	95.5	Very high	66 Å²	66	45.3 Å²	45.3	25%	0.249	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-50.8	-46	-162.9	-175.9	172.1	-172.4	-112.2	-18.1	115.5	Y557 R558 P593 P606 H611	R555-Y557 VanDerWaalsContact C-N 3.28Å; R555-Y557 PolarHBondContact O-N 3.05Å; R555-R558 WeakPolarHBondContact O-CB 3.39Å; R555-P593 HydrophobicContact CG-CG 4.47Å; R555-P593 PolarHBondContact NH1-O 2.99Å; R555-P593 VanDerWaalsContact NH2-CG 3.3Å; R555-P593 PolarHBondContact NH2-O 2.87Å; R555-P606 PolarHBondContact NH2-O 3.27Å; R555-P606 VanDerWaalsContact NH2-O 3.07Å; R555-H611 PolarHBondContact O-CE1 3.34Å
556	Q	95.4	Very high	95.3	Very high	38 Å²	38	40 Å²	40	18%	0.178	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-73.1	-21.5	-176.9	-62.9	82.2	-10.1	0	0	112.7	T554 Y589	T554-Q556 PolarHBondContact O-N 3.09Å; Q556-Y589 HydrophobicContact CB-CD1 3.81Å; Q556-Y589 HydrophobicContact CB-CE1 4.24Å; Q556-Y589 HydrophobicContact CB-CG 4.1Å; Q556-Y589 HydrophobicContact CG-CD1 3.78Å; Q556-Y589 HydrophobicContact CG-CD2 3.92Å; Q556-Y589 HydrophobicContact CG-CE1 4.03Å; Q556-Y589 HydrophobicContact CG-CE2 4.15Å; Q556-Y589 HydrophobicContact CG-CG 3.72Å
557	Y	97.7	Very high	95.3	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.008	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-105.6	4	-177.1	-45.4	-88.3	0	0	0	112.1	K215 P216 Q553 T554 R555 S576 C579 M580 E583	K215-Y557 HydrophobicContact CB-CD1 4.38Å; K215-Y557 HydrophobicContact CB-CD2 3.9Å; K215-Y557 HydrophobicContact CB-CE1 4.11Å; K215-Y557 HydrophobicContact CB-CE2 3.59Å; K215-Y557 HydrophobicContact CB-CG 4.27Å; K215-Y557 HydrophobicContact CD-CE2 4.47Å; P216-Y557 WeakPolarHBondContact CD-OH 3.39Å; Q553-Y557 PolarHBondContact NE2-O 3.22Å; T554-Y557 HydrophobicContact CG2-CD2 3.98Å; T554-Y557 HydrophobicContact CG2-CE2 4.07Å; T554-Y557 CarbonylContact O-C 3.53Å; T554-Y557 PolarHBondContact O-N 3.25Å; R555-Y557 VanDerWaalsContact C-N 3.28Å; R555-Y557 PolarHBondContact O-N 3.05Å; Y557-S576 PolarHBondContact O-OG 2.82Å; Y557-C579 HydrophobicContact CD1-CB 3.85Å; Y557-M580 HydrophobicContact CD1-CB 4.43Å; Y557-M580 HydrophobicContact CE1-CB 4.27Å; Y557-E583 VanDerWaalsContact CE1-OE2 3.25Å; Y557-E583 WeakPolarHBondContact CE1-OE2 3.44Å; Y557-E583 PolarHBondContact OH-OE1 3.21Å; Y557-E583 PolarHBondContact OH-OE2 3.36Å
558	R	97.6	Very high	95.3	Very high	55 Å²	55	34 Å²	34	21%	0.208	19%	0.189	C	C	.	.			trans	-74.9	129.2	-174.3	-171.9	173	-67.2	151.5	-2	111.2	D551 I552 Q553 T554 R555 V562 L563 W575	D551-R558 IonicContact OD1-CZ 2.88Å; D551-R558 IonicContact OD1-NH2 3.64Å; I552-R558 PolarHBondContact O-NE 3.01Å; Q553-R558 HydrophobicContact CB-CB 4.02Å; Q553-R558 HydrophobicContact CB-CG 4.17Å; Q553-R558 PolarHBondContact O-NE 3.47Å; Q553-R558 PolarHBondContact O-NH2 2.89Å; T554-R558 PolarHBondContact O-N 3.07Å; T554-R558 VanDerWaalsContact O-N 3.12Å; R555-R558 WeakPolarHBondContact O-CB 3.39Å; R558-V562 HydrophobicContact CG-CB 4.01Å; R558-V562 HydrophobicContact CG-CG1 3.87Å; R558-L563 HydrophobicContact CG-CD2 4.04Å; R558-L563 HydrophobicContact CG-CG 4.24Å; R558-W575 PolarHBondContact O-NE1 3.37Å
559	S	97.9	Very high	95.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.179	C	C	.	.			trans	-77.6	155.3	-178.2	64.7	0	0	0	0	112.7	Q553 E561 V562 L563	Q553-S559 PolarHBondContact OE1-OG 2.93Å; S559-E561 VanDerWaalsContact C-N 3.32Å; S559-E561 VanDerWaalsContact CB-CD 3.46Å; S559-E561 WeakPolarHBondContact CB-OE2 3.48Å; S559-E561 PolarHBondContact O-N 3.32Å; S559-E561 PolarHBondContact OG-OE1 3.49Å; S559-V562 PolarHBondContact O-N 2.98Å; S559-V562 WeakPolarHBondContact OG-CG2 3.31Å; S559-L563 WeakPolarHBondContact O-CG 3.4Å; S559-L563 PolarHBondContact O-N 3.08Å; S559-L563 VanDerWaalsContact O-N 3.12Å
560	I	96.2	Very high	95.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.6	-37	-177.4	-174.7	165.5	0	0	0	113	V562 L563 I564 W575 I615 I622 F626 M682	I560-V562 VanDerWaalsContact C-N 3.26Å; I560-V562 PolarHBondContact O-N 3.19Å; I560-L563 PolarHBondContact O-N 2.85Å; I560-I564 HydrophobicContact CG1-CG2 4.27Å; I560-I564 WeakPolarHBondContact O-CG1 3.21Å; I560-I564 PolarHBondContact O-N 3.49Å; I560-W575 HydrophobicContact CB-CH2 4.48Å; I560-W575 HydrophobicContact CG2-CH2 4.38Å; I560-W575 HydrophobicContact CG2-CZ3 4.2Å; I560-I615 HydrophobicContact CB-CD1 4.14Å; I560-I615 HydrophobicContact CD1-CG2 4.19Å; I560-I622 HydrophobicContact CD1-CD1 3.47Å; I560-I622 VanDerWaalsContact CD1-CD1 3.47Å; I560-I622 HydrophobicContact CD1-CG1 3.68Å; I560-I622 HydrophobicContact CD1-CG2 4.19Å; I560-F626 HydrophobicContact CD1-CE1 4.32Å; I560-F626 HydrophobicContact CG1-CE1 4.19Å; I560-F626 HydrophobicContact CG2-CE1 3.8Å; I560-F626 HydrophobicContact CG2-CZ 4.15Å; I560-M682 HydrophobicContact CG2-CB 4.3Å; I560-M682 WeakPolarHBondContact CG2-O 3.32Å
561	E	96.9	Very high	96	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-61.7	-34.9	177.3	59.5	-88.9	-150.2	0	0	112.2	S559 G565 G566 F626 P684 R687	S559-E561 VanDerWaalsContact C-N 3.32Å; S559-E561 VanDerWaalsContact CB-CD 3.46Å; S559-E561 WeakPolarHBondContact CB-OE2 3.48Å; S559-E561 PolarHBondContact O-N 3.32Å; S559-E561 PolarHBondContact OG-OE1 3.49Å; E561-G565 CarbonylContact O-C 3.57Å; E561-G565 WeakPolarHBondContact O-CA 3.29Å; E561-G565 PolarHBondContact O-N 3.48Å; E561-G566 PolarHBondContact O-N 3.07Å; E561-F626 HydrophobicContact CB-CE2 4.4Å; E561-F626 HydrophobicContact CB-CZ 3.95Å; E561-P684 HydrophobicContact CB-CG 3.83Å; E561-P684 HydrophobicContact CG-CG 3.91Å; E561-R687 IonicContact OE1-CZ 4Å; E561-R687 IonicContact OE1-NH1 2.71Å; E561-R687 PolarHBondContact OE1-NH1 3.22Å; E561-R687 IonicContact OE1-NH2 3.74Å; E561-R687 PolarHBondContact OE1-NH2 2.91Å; E561-R687 IonicContact OE2-CZ 2.88Å; E561-R687 IonicContact OE2-NH1 3.85Å; E561-R687 PolarHBondContact OE2-NH1 2.61Å; E561-R687 IonicContact OE2-NH2 2.77Å; E561-R687 PolarHBondContact OE2-NH2 3.14Å
562	V	96.7	Very high	96.2	Very high	15 Å²	15	20.5 Å²	20.5	9%	0.091	13%	0.128	C	C	.	.	H	α-helix	trans	-72.2	-43.7	174.8	177	0	0	0	0	110	I552 R558 S559 I560 I564 G565	I552-V562 HydrophobicContact CD1-CG2 3.79Å; I552-V562 HydrophobicContact CG1-CB 4.48Å; I552-V562 HydrophobicContact CG1-CG1 3.95Å; I552-V562 HydrophobicContact CG1-CG2 3.65Å; R558-V562 HydrophobicContact CG-CB 4.01Å; R558-V562 HydrophobicContact CG-CG1 3.87Å; S559-V562 PolarHBondContact O-N 2.98Å; S559-V562 WeakPolarHBondContact OG-CG2 3.31Å; I560-V562 VanDerWaalsContact C-N 3.26Å; I560-V562 PolarHBondContact O-N 3.19Å; V562-I564 VanDerWaalsContact C-N 3.34Å; V562-I564 PolarHBondContact O-N 3.24Å; V562-G565 PolarHBondContact O-N 2.79Å; V562-G565 VanDerWaalsContact O-N 3.16Å
563	L	94.1	Very high	96.3	Very high	13 Å²	13	20 Å²	20	7%	0.068	13%	0.126	C	C	.	.	H	α-helix	trans	-58.2	-42.7	178	-65.6	174.3	0	0	0	112.7	R558 S559 I560 P608 H611 I612 I615 F636	R558-L563 HydrophobicContact CG-CD2 4.04Å; R558-L563 HydrophobicContact CG-CG 4.24Å; S559-L563 WeakPolarHBondContact O-CG 3.4Å; S559-L563 PolarHBondContact O-N 3.08Å; S559-L563 VanDerWaalsContact O-N 3.12Å; I560-L563 PolarHBondContact O-N 2.85Å; L563-P608 HydrophobicContact CD2-CB 4.5Å; L563-H611 HydrophobicContact CD1-CB 4.11Å; L563-I612 HydrophobicContact CB-CD1 4.4Å; L563-I612 HydrophobicContact CB-CG1 4.33Å; L563-I612 HydrophobicContact CD1-CG1 4.04Å; L563-I615 HydrophobicContact CD1-CD1 3.91Å; L563-F636 WeakPolarHBondContact O-CE2 3.18Å
564	I	93.9	Very high	96.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-86.5	-10.2	-179.5	72.5	179.9	0	0	0	113	I560 V562 I612 F626 G630 K631 Y632 F637	I560-I564 HydrophobicContact CG1-CG2 4.27Å; I560-I564 WeakPolarHBondContact O-CG1 3.21Å; I560-I564 PolarHBondContact O-N 3.49Å; V562-I564 VanDerWaalsContact C-N 3.34Å; V562-I564 PolarHBondContact O-N 3.24Å; I564-I612 HydrophobicContact CG2-CD1 4.08Å; I564-F626 HydrophobicContact CD1-CD1 4.24Å; I564-F626 HydrophobicContact CD1-CE1 3.81Å; I564-F626 HydrophobicContact CD1-CE2 4.11Å; I564-F626 HydrophobicContact CD1-CZ 3.75Å; I564-G630 CarbonylContact O-C 3.58Å; I564-G630 VanDerWaalsContact O-C 3.29Å; I564-G630 WeakPolarHBondContact O-CA 3.29Å; I564-K631 PolarHBondContact O-N 3.16Å; I564-Y632 PolarHBondContact O-N 3.18Å; I564-F637 HydrophobicContact CG2-CE2 3.89Å
565	G	94.5	Very high	96.6	Very high	21 Å²	21	18.5 Å²	18.5	22%	0.216	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.3	45	-173.6	0	0	0	0	0	112.6	E561 V562 G567 G630 K631	E561-G565 CarbonylContact O-C 3.57Å; E561-G565 WeakPolarHBondContact O-CA 3.29Å; E561-G565 PolarHBondContact O-N 3.48Å; V562-G565 PolarHBondContact O-N 2.79Å; V562-G565 VanDerWaalsContact O-N 3.16Å; G565-G567 VanDerWaalsContact C-N 3.31Å; G565-G630 WeakPolarHBondContact O-CA 3.29Å; G565-K631 PolarHBondContact O-N 2.9Å
566	G	92.4	Very high	96.9	Very high	36 Å²	36	15.3 Å²	15.3	37%	0.371	11%	0.105	S	C	.	.			trans	-84.5	0.7	177.4	0	0	0	0	0	114.6	E561	E561-G566 PolarHBondContact O-N 3.07Å
567	G	94.3	Very high	97.1	Very high	38 Å²	38	13.5 Å²	13.5	39%	0.392	10%	0.097	S	C	.	.			trans	80.4	147.1	-167.6	0	0	0	0	0	111.1	G565	G565-G567 VanDerWaalsContact C-N 3.31Å
568	Y	97.8	Very high	97.1	Very high	19 Å²	19	13.4 Å²	13.4	8%	0.075	10%	0.096	C	C	.	.			trans	-120.7	167	-177.7	67.9	-91.6	0	0	0	111.8	I210 T212 H547 T549 I552	I210-Y568 HydrophobicContact CD1-CD2 4.03Å; I210-Y568 HydrophobicContact CD1-CE2 3.97Å; T212-Y568 HydrophobicContact CG2-CE2 4.22Å; H547-Y568 WeakPolarHBondContact CB-OH 3.49Å; H547-Y568 AromaticContact CD2-CE2 3.92Å; H547-Y568 AromaticContact CD2-CZ 3.93Å; H547-Y568 AromaticContact CE1-CD2 3.99Å; H547-Y568 AromaticContact CE1-CE1 3.96Å; H547-Y568 AromaticContact CE1-CE2 3.74Å; H547-Y568 AromaticContact CE1-CZ 3.75Å; H547-Y568 PolarHBondContact CE1-O 2.89Å; H547-Y568 VanDerWaalsContact CE1-O 3.31Å; H547-Y568 AromaticContact CG-CZ 3.54Å; H547-Y568 AromaticContact ND1-CE1 3.52Å; H547-Y568 AromaticContact ND1-CE2 3.89Å; H547-Y568 AromaticContact ND1-CZ 3.42Å; H547-Y568 AromaticContact NE2-CE2 3.8Å; T549-Y568 WeakPolarHBondContact O-CE1 3.41Å; T549-Y568 PolarHBondContact O-OH 3.38Å; I552-Y568 HydrophobicContact CD1-CD1 3.84Å; I552-Y568 HydrophobicContact CD1-CD2 3.52Å; I552-Y568 HydrophobicContact CD1-CE1 4.05Å; I552-Y568 HydrophobicContact CD1-CE2 3.75Å; I552-Y568 HydrophobicContact CD1-CG 3.55Å; I552-Y568 HydrophobicContact CG1-CD1 4.34Å; I552-Y568 HydrophobicContact CG1-CE1 4.41Å; I552-Y568 HydrophobicContact CG1-CG 4.49Å; I552-Y568 HydrophobicContact CG2-CE1 4.33Å
569	G	98.1	Very high	97.2	Very high	17 Å²	17	11 Å²	11	18%	0.175	9%	0.087	C	C	.	.			trans	-155.2	-161.1	175.7	0	0	0	0	0	110.4	P571 A572	G569-P571 VanDerWaalsContact C-N 3.26Å; G569-A572 WeakPolarHBondContact O-CB 3.47Å; G569-A572 PolarHBondContact O-N 2.97Å; G569-A572 VanDerWaalsContact O-N 3.11Å
570	T	98.6	Very high	97.2	Very high	42 Å²	42	11 Å²	11	26%	0.258	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-30	174.8	60.9	0	0	0	0	115.1	H204 I210 V544 A572 D573	H204-T570 HydrophobicContact CB-CG2 3.86Å; H204-T570 PolarHBondContact CE1-O 2.94Å; H204-T570 VanDerWaalsContact CE1-O 3.23Å; I210-T570 HydrophobicContact CG1-CG2 4.11Å; V544-T570 HydrophobicContact CG2-CG2 3.72Å; T570-A572 PolarHBondContact O-N 3.27Å; T570-A572 VanDerWaalsContact O-N 3.16Å; T570-D573 PolarHBondContact O-N 3.19Å
571	P	98.8	Very high	97.3	Very high	25 Å²	25	11 Å²	11	16%	0.162	9%	0.087	C	C	.	.	H	α-helix	trans	-63	-19.2	176.7	-24.4	36.5	0	0	0	114.7	G569 D573 I574 W575 P684 R687	G569-P571 VanDerWaalsContact C-N 3.26Å; P571-D573 VanDerWaalsContact C-N 3.31Å; P571-D573 PolarHBondContact O-N 3.49Å; P571-I574 PolarHBondContact O-N 3.21Å; P571-W575 PolarHBondContact O-N 3.47Å; P571-W575 VanDerWaalsContact O-N 3.15Å; P571-P684 HydrophobicContact CB-CB 4.04Å; P571-P684 HydrophobicContact CG-CB 4.13Å; P571-P684 WeakPolarHBondContact CG-O 3.5Å; P571-R687 VanDerWaalsContact C-NH1 3.34Å; P571-R687 HydrophobicContact CB-CB 4.23Å; P571-R687 WeakPolarHBondContact O-CD 3.4Å; P571-R687 PolarHBondContact O-NH1 3.23Å
572	A	98.8	Very high	97.4	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-62.3	-40.1	177.1	0	0	0	0	0	111.3	Q553 G569 T570 I574 W575 S576	Q553-A572 PolarHBondContact NE2-O 2.79Å; G569-A572 WeakPolarHBondContact O-CB 3.47Å; G569-A572 PolarHBondContact O-N 2.97Å; G569-A572 VanDerWaalsContact O-N 3.11Å; T570-A572 PolarHBondContact O-N 3.27Å; T570-A572 VanDerWaalsContact O-N 3.16Å; A572-I574 VanDerWaalsContact C-N 3.29Å; A572-I574 PolarHBondContact O-N 3.31Å; A572-W575 WeakPolarHBondContact O-CB 3.37Å; A572-W575 PolarHBondContact O-N 3.47Å; A572-S576 PolarHBondContact O-N 2.99Å; A572-S576 VanDerWaalsContact O-N 3.14Å; A572-S576 PolarHBondContact O-OG 3.49Å
573	D	98.9	Very high	97.5	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-65.8	-33.7	176.6	-67.5	-24.7	0	0	0	111.9	L200 H204 H211 T212 I214 T570 P571 S576 T577	L200-D573 HydrophobicContact CD1-CB 4.19Å; L200-D573 HydrophobicContact CD2-CB 3.89Å; H204-D573 IonicContact CD2-OD2 3.98Å; H204-D573 IonicContact CE1-OD2 2.72Å; H204-D573 IonicContact NE2-OD2 3.73Å; H204-D573 PolarHBondContact NE2-OD2 3.32Å; H211-D573 PolarHBondContact N-OD1 3.33Å; H211-D573 PolarHBondContact N-OD2 3.35Å; T212-D573 PolarHBondContact N-OD1 3.47Å; I214-D573 HydrophobicContact CG1-CB 4.27Å; T570-D573 PolarHBondContact O-N 3.19Å; P571-D573 VanDerWaalsContact C-N 3.31Å; P571-D573 PolarHBondContact O-N 3.49Å; D573-S576 PolarHBondContact O-N 2.91Å; D573-T577 WeakPolarHBondContact O-CB 3.43Å; D573-T577 PolarHBondContact O-N 3.08Å; D573-T577 PolarHBondContact O-OG1 3.25Å
574	I	98.9	Very high	97.7	Very high	1 Å²	1	10 Å²	10	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-67.5	-40.2	177.9	-55.8	-58.7	0	0	0	110.9	L197 L200 P571 A572 T577 A578 M679 R687 A688 A690	L197-I574 HydrophobicContact CD2-CD1 4.24Å; L200-I574 HydrophobicContact CD1-CD1 4.35Å; P571-I574 PolarHBondContact O-N 3.21Å; A572-I574 VanDerWaalsContact C-N 3.29Å; A572-I574 PolarHBondContact O-N 3.31Å; I574-T577 PolarHBondContact O-N 3.06Å; I574-A578 PolarHBondContact O-N 3.26Å; I574-M679 HydrophobicContact CG2-CB 3.74Å; I574-M679 HydrophobicContact CG2-CE 3.93Å; I574-M679 HydrophobicContact CG2-CG 3.82Å; I574-R687 HydrophobicContact CG2-CG 4.36Å; I574-A688 WeakPolarHBondContact CG2-O 3.29Å; I574-A690 HydrophobicContact CD1-CB 3.88Å
575	W	98.9	Very high	97.9	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-59.7	-49.8	173.1	179.7	-76.4	0	0	0	111.3	R558 I560 P571 A572 T577 A578 C579 F591 I615 L619 L680	R558-W575 PolarHBondContact O-NE1 3.37Å; I560-W575 HydrophobicContact CB-CH2 4.48Å; I560-W575 HydrophobicContact CG2-CH2 4.38Å; I560-W575 HydrophobicContact CG2-CZ3 4.2Å; P571-W575 PolarHBondContact O-N 3.47Å; P571-W575 VanDerWaalsContact O-N 3.15Å; A572-W575 WeakPolarHBondContact O-CB 3.37Å; A572-W575 PolarHBondContact O-N 3.47Å; W575-T577 VanDerWaalsContact C-N 3.26Å; W575-T577 PolarHBondContact O-N 3.38Å; W575-A578 WeakPolarHBondContact O-CB 3.28Å; W575-A578 PolarHBondContact O-N 3.1Å; W575-A578 VanDerWaalsContact O-N 3.08Å; W575-C579 PolarHBondContact O-N 2.9Å; W575-C579 VanDerWaalsContact O-N 3.07Å; W575-F591 HydrophobicContact CH2-CE2 4.39Å; W575-F591 HydrophobicContact CZ2-CD2 4.32Å; W575-F591 AromaticContact CZ2-CE2 3.53Å; W575-F591 HydrophobicContact CZ2-CE2 3.53Å; W575-F591 HydrophobicContact CZ2-CZ 4.03Å; W575-I615 HydrophobicContact CH2-CD1 4.07Å; W575-I615 HydrophobicContact CH2-CG1 4.22Å; W575-I615 HydrophobicContact CH2-CG2 3.98Å; W575-I615 HydrophobicContact CZ2-CD1 3.72Å; W575-I615 HydrophobicContact CZ2-CG1 3.97Å; W575-L619 HydrophobicContact CH2-CD1 3.97Å; W575-L619 HydrophobicContact CZ3-CD1 4.29Å; W575-L680 HydrophobicContact CD2-CD2 4.07Å; W575-L680 HydrophobicContact CE3-CD2 4.1Å; W575-L680 HydrophobicContact CH2-CD2 4.41Å; W575-L680 HydrophobicContact CZ2-CD2 4.38Å; W575-L680 HydrophobicContact CZ3-CB 4.48Å; W575-L680 HydrophobicContact CZ3-CD2 4.28Å; W575-L680 WeakPolarHBondContact CZ3-O 3.42Å
576	S	98.9	Very high	98.1	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-59.4	-38.3	177.1	-61.9	0	0	0	0	112.4	I214 Q553 Y557 A572 D573 A578 C579 M580	I214-S576 WeakPolarHBondContact O-CB 3.45Å; Q553-S576 PolarHBondContact NE2-OG 2.99Å; Y557-S576 PolarHBondContact O-OG 2.82Å; A572-S576 PolarHBondContact O-N 2.99Å; A572-S576 VanDerWaalsContact O-N 3.14Å; A572-S576 PolarHBondContact O-OG 3.49Å; D573-S576 PolarHBondContact O-N 2.91Å; S576-A578 VanDerWaalsContact C-N 3.33Å; S576-A578 PolarHBondContact O-N 3.09Å; S576-C579 PolarHBondContact O-N 3.32Å; S576-M580 WeakPolarHBondContact O-CB 3.3Å; S576-M580 PolarHBondContact O-N 3.07Å
577	T	98.9	Very high	98.3	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-64.7	-36.5	176.1	-54.4	0	0	0	0	111.9	I193 V196 L197 L200 D573 I574 W575 M580 A581 M679	I193-T577 HydrophobicContact CD1-CG2 4.35Å; I193-T577 HydrophobicContact CG2-CG2 4.45Å; V196-T577 HydrophobicContact CG1-CG2 4.11Å; L197-T577 HydrophobicContact CD2-CG2 4.17Å; L197-T577 HydrophobicContact CG-CG2 4.45Å; L200-T577 WeakPolarHBondContact CD1-OG1 3.38Å; D573-T577 WeakPolarHBondContact O-CB 3.43Å; D573-T577 PolarHBondContact O-N 3.08Å; D573-T577 PolarHBondContact O-OG1 3.25Å; I574-T577 PolarHBondContact O-N 3.06Å; W575-T577 VanDerWaalsContact C-N 3.26Å; W575-T577 PolarHBondContact O-N 3.38Å; T577-M580 HydrophobicContact CG2-CE 4.45Å; T577-M580 PolarHBondContact O-N 2.93Å; T577-A581 VanDerWaalsContact O-CB 3.3Å; T577-A581 WeakPolarHBondContact O-CB 3.35Å; T577-A581 PolarHBondContact O-N 3.37Å; T577-M679 HydrophobicContact CG2-CE 3.82Å
578	A	98.8	Very high	98.4	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-66.8	-44.5	175.3	0	0	0	0	0	112.1	I574 W575 S576 M580 A581 F582 L676 M679 L680	I574-A578 PolarHBondContact O-N 3.26Å; W575-A578 WeakPolarHBondContact O-CB 3.28Å; W575-A578 PolarHBondContact O-N 3.1Å; W575-A578 VanDerWaalsContact O-N 3.08Å; S576-A578 VanDerWaalsContact C-N 3.33Å; S576-A578 PolarHBondContact O-N 3.09Å; A578-M580 VanDerWaalsContact C-N 3.34Å; A578-M580 PolarHBondContact O-N 2.81Å; A578-A581 PolarHBondContact O-N 3.01Å; A578-F582 PolarHBondContact O-N 2.86Å; A578-F582 VanDerWaalsContact O-N 3.08Å; A578-L676 HydrophobicContact CB-CD2 4.07Å; A578-M679 HydrophobicContact CB-CB 3.72Å; A578-M679 HydrophobicContact CB-CE 4.09Å; A578-M679 HydrophobicContact CB-SD 4.5Å; A578-L680 HydrophobicContact CB-CD2 3.73Å; A578-L680 HydrophobicContact CB-CG 3.85Å
579	C	98.8	Very high	98.3	Very high	3 Å²	3	11.7 Å²	11.7	2%	0.02	7%	0.067	C	C	.	.	H	α-helix	trans	-58.4	-47.3	173.7	-66.2	0	0	0	0	111.2	Y557 W575 S576 A581 F582 E583 L590	Y557-C579 HydrophobicContact CD1-CB 3.85Å; W575-C579 PolarHBondContact O-N 2.9Å; W575-C579 VanDerWaalsContact O-N 3.07Å; S576-C579 PolarHBondContact O-N 3.32Å; C579-A581 PolarHBondContact O-N 3.47Å; C579-F582 PolarHBondContact O-N 3.07Å; C579-E583 PolarHBondContact O-N 3.37Å; C579-L590 HydrophobicContact CB-CB 4.48Å
580	M	98.7	Very high	98.3	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-64.1	-39	178.1	-178.5	178.4	68.5	0	0	112.3	I193 V196 I214 K215 P216 I219 Y557 S576 T577 A578 F582 E583 L584	I193-M580 HydrophobicContact CD1-CE 3.99Å; V196-M580 HydrophobicContact CB-CE 4.5Å; V196-M580 HydrophobicContact CG1-CE 4.01Å; V196-M580 HydrophobicContact CG2-CE 4.1Å; I214-M580 HydrophobicContact CG2-CE 3.86Å; I214-M580 HydrophobicContact CG2-SD 4.21Å; K215-M580 VanDerWaalsContact C-SD 3.51Å; P216-M580 HydrophobicContact CG-CG 3.94Å; P216-M580 HydrophobicContact CG-SD 4.39Å; I219-M580 HydrophobicContact CD1-CE 4.49Å; I219-M580 HydrophobicContact CG1-CE 3.99Å; I219-M580 HydrophobicContact CG1-SD 3.74Å; Y557-M580 HydrophobicContact CD1-CB 4.43Å; Y557-M580 HydrophobicContact CE1-CB 4.27Å; S576-M580 WeakPolarHBondContact O-CB 3.3Å; S576-M580 PolarHBondContact O-N 3.07Å; T577-M580 HydrophobicContact CG2-CE 4.45Å; T577-M580 PolarHBondContact O-N 2.93Å; A578-M580 VanDerWaalsContact C-N 3.34Å; A578-M580 PolarHBondContact O-N 2.81Å; M580-F582 VanDerWaalsContact C-N 3.33Å; M580-F582 PolarHBondContact O-N 2.78Å; M580-E583 PolarHBondContact O-N 2.77Å; M580-L584 HydrophobicContact CG-CD1 3.98Å; M580-L584 HydrophobicContact CG-CG 4.25Å; M580-L584 WeakPolarHBondContact O-CB 3.49Å; M580-L584 VanDerWaalsContact O-CG 3.26Å; M580-L584 WeakPolarHBondContact O-CG 3.45Å; M580-L584 PolarHBondContact O-N 2.9Å
581	A	98.8	Very high	98.1	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-62.3	-41.9	176.9	0	0	0	0	0	111.7	I193 T577 A578 C579 A585 F672 L676	I193-A581 HydrophobicContact CD1-CB 3.66Å; I193-A581 HydrophobicContact CG1-CB 3.81Å; T577-A581 VanDerWaalsContact O-CB 3.3Å; T577-A581 WeakPolarHBondContact O-CB 3.35Å; T577-A581 PolarHBondContact O-N 3.37Å; A578-A581 PolarHBondContact O-N 3.01Å; C579-A581 PolarHBondContact O-N 3.47Å; A581-A585 WeakPolarHBondContact O-CB 3.45Å; A581-A585 PolarHBondContact O-N 3.08Å; A581-F672 HydrophobicContact CB-CE2 4.47Å; A581-F672 HydrophobicContact CB-CZ 4.41Å; A581-L676 HydrophobicContact CB-CD2 3.92Å
582	F	98.8	Very high	97.6	Very high	4 Å²	4	13.4 Å²	13.4	2%	0.018	7%	0.066	C	C	.	.	H	α-helix	trans	-61	-50.8	174.2	179.5	-89.6	0	0	0	111	A578 C579 M580 L584 A585 T586 D588 L590 L654 V657 L658 Y662 F672 L676	A578-F582 PolarHBondContact O-N 2.86Å; A578-F582 VanDerWaalsContact O-N 3.08Å; C579-F582 PolarHBondContact O-N 3.07Å; M580-F582 VanDerWaalsContact C-N 3.33Å; M580-F582 PolarHBondContact O-N 2.78Å; F582-L584 PolarHBondContact O-N 3.27Å; F582-A585 PolarHBondContact O-N 2.83Å; F582-T586 HydrophobicContact CD1-CG2 4.43Å; F582-T586 HydrophobicContact CD2-CG2 4.23Å; F582-T586 HydrophobicContact CE1-CG2 4.16Å; F582-T586 WeakPolarHBondContact CE1-OG1 3.04Å; F582-T586 HydrophobicContact CE2-CG2 3.95Å; F582-T586 HydrophobicContact CG-CG2 4.48Å; F582-T586 HydrophobicContact CZ-CG2 3.92Å; F582-T586 PolarHBondContact O-N 3Å; F582-T586 PolarHBondContact O-OG1 3.06Å; F582-D588 WeakPolarHBondContact CD1-O 3.33Å; F582-L590 HydrophobicContact CB-CB 4.2Å; F582-L590 HydrophobicContact CB-CD1 4.38Å; F582-L590 HydrophobicContact CD1-CB 3.73Å; F582-L590 HydrophobicContact CD1-CD1 3.92Å; F582-L590 HydrophobicContact CD1-CG 4.43Å; F582-L590 HydrophobicContact CD2-CD1 3.8Å; F582-L590 HydrophobicContact CE1-CB 4.33Å; F582-L590 HydrophobicContact CE1-CD1 4.08Å; F582-L590 HydrophobicContact CE2-CD1 3.96Å; F582-L590 HydrophobicContact CG-CB 4.05Å; F582-L590 HydrophobicContact CG-CD1 3.76Å; F582-L590 HydrophobicContact CG-CG 4.39Å; F582-L590 HydrophobicContact CZ-CD1 4.09Å; F582-L654 HydrophobicContact CD2-CD1 3.89Å; F582-L654 HydrophobicContact CE2-CD1 3.79Å; F582-V657 HydrophobicContact CZ-CG1 4.48Å; F582-L658 HydrophobicContact CD2-CD2 4.44Å; F582-L658 HydrophobicContact CE2-CD2 3.96Å; F582-Y662 HydrophobicContact CE2-CE2 4.48Å; F582-Y662 AromaticContact CZ-CE2 3.77Å; F582-Y662 HydrophobicContact CZ-CE2 3.77Å; F582-F672 HydrophobicContact CD2-CE1 4.38Å; F582-L676 HydrophobicContact CB-CD1 4.25Å
583	E	98.5	Very high	96.5	Very high	4 Å²	4	13.6 Å²	13.6	2%	0.019	7%	0.067	C	C	.	.	H	α-helix	trans	-61.4	-41.7	180	-176.8	-172.2	162.7	0	0	112.9	I176 Y557 C579 M580 A585 T586 G587 D588 Y589	I176-E583 HydrophobicContact CD1-CG 4.23Å; Y557-E583 VanDerWaalsContact CE1-OE2 3.25Å; Y557-E583 WeakPolarHBondContact CE1-OE2 3.44Å; Y557-E583 PolarHBondContact OH-OE1 3.21Å; Y557-E583 PolarHBondContact OH-OE2 3.36Å; C579-E583 PolarHBondContact O-N 3.37Å; M580-E583 PolarHBondContact O-N 2.77Å; E583-A585 PolarHBondContact O-N 3.11Å; E583-T586 PolarHBondContact O-N 3.43Å; E583-G587 VanDerWaalsContact O-CA 3.22Å; E583-G587 WeakPolarHBondContact O-CA 3.48Å; E583-G587 PolarHBondContact O-N 3.47Å; E583-D588 VanDerWaalsContact CA-O 3.23Å; E583-D588 WeakPolarHBondContact CA-O 3.41Å; E583-D588 WeakPolarHBondContact CB-O 3.4Å; E583-Y589 HydrophobicContact CG-CD1 4.39Å; E583-Y589 WeakPolarHBondContact OE1-CE1 3.47Å; E583-Y589 WeakPolarHBondContact OE2-CD1 3.47Å
584	L	98.4	Very high	95.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-62.5	-29.1	175.2	-73.3	172.1	0	0	0	112.3	L172 I176 G183 L184 V189 I192 I193 M580 F582	L172-L584 HydrophobicContact CB-CD2 4.17Å; L172-L584 HydrophobicContact CD1-CD1 3.97Å; L172-L584 HydrophobicContact CD1-CD2 4.06Å; I176-L584 HydrophobicContact CD1-CD2 3.85Å; I176-L584 HydrophobicContact CG1-CD2 4.01Å; G183-L584 CarbonylContact C-O 3.54Å; G183-L584 WeakPolarHBondContact CA-O 3.41Å; L184-L584 HydrophobicContact CD1-CD2 4.29Å; L184-L584 PolarHBondContact N-O 3.03Å; V189-L584 HydrophobicContact CG1-CB 4.07Å; V189-L584 HydrophobicContact CG2-CB 4.15Å; I192-L584 HydrophobicContact CG2-CD1 4.01Å; I193-L584 HydrophobicContact CD1-CD1 4.11Å; M580-L584 HydrophobicContact CG-CD1 3.98Å; M580-L584 HydrophobicContact CG-CG 4.25Å; M580-L584 WeakPolarHBondContact O-CB 3.49Å; M580-L584 VanDerWaalsContact O-CG 3.26Å; M580-L584 WeakPolarHBondContact O-CG 3.45Å; M580-L584 PolarHBondContact O-N 2.9Å; F582-L584 PolarHBondContact O-N 3.27Å
585	A	98.3	Very high	93.2	Very high	8 Å²	8	22 Å²	22	7%	0.066	11%	0.112	C	C	.	.	H	α-helix	trans	-88.8	-28.1	-178.4	0	0	0	0	0	113.6	L186 V189 A581 F582 E583 W664 F672	L186-A585 HydrophobicContact CD2-CB 3.95Å; V189-A585 HydrophobicContact CG1-CB 4.44Å; V189-A585 HydrophobicContact CG2-CB 4.39Å; A581-A585 WeakPolarHBondContact O-CB 3.45Å; A581-A585 PolarHBondContact O-N 3.08Å; F582-A585 PolarHBondContact O-N 2.83Å; E583-A585 PolarHBondContact O-N 3.11Å; A585-W664 HydrophobicContact CB-CH2 3.76Å; A585-W664 HydrophobicContact CB-CZ2 3.79Å; A585-F672 HydrophobicContact CB-CE1 4.09Å; A585-F672 HydrophobicContact CB-CZ 3.98Å
586	T	97.9	Very high	90.9	Very high	8 Å²	8	23.6 Å²	23.6	5%	0.049	13%	0.129	C	C	.	.	H	α-helix	trans	-114.2	-20.5	-173	65.3	0	0	0	0	114	F582 E583 D588 L658 Y662 W664	F582-T586 HydrophobicContact CD1-CG2 4.43Å; F582-T586 HydrophobicContact CD2-CG2 4.23Å; F582-T586 HydrophobicContact CE1-CG2 4.16Å; F582-T586 WeakPolarHBondContact CE1-OG1 3.04Å; F582-T586 HydrophobicContact CE2-CG2 3.95Å; F582-T586 HydrophobicContact CG-CG2 4.48Å; F582-T586 HydrophobicContact CZ-CG2 3.92Å; F582-T586 PolarHBondContact O-N 3Å; F582-T586 PolarHBondContact O-OG1 3.06Å; E583-T586 PolarHBondContact O-N 3.43Å; T586-D588 VanDerWaalsContact C-N 3.27Å; T586-D588 PolarHBondContact OG1-N 2.96Å; T586-D588 PolarHBondContact OG1-O 2.68Å; T586-L658 HydrophobicContact CG2-CD2 4.09Å; T586-Y662 HydrophobicContact CG2-CD1 4.18Å; T586-Y662 HydrophobicContact CG2-CD2 4.24Å; T586-Y662 HydrophobicContact CG2-CE1 4.16Å; T586-Y662 HydrophobicContact CG2-CE2 4.19Å; T586-Y662 HydrophobicContact CG2-CG 4.22Å; T586-W664 HydrophobicContact CG2-CZ2 4.25Å
587	G	96.3	Very high	88.4	Confident	4 Å²	4	33.2 Å²	33.2	4%	0.041	17%	0.174	C	C	.	.	S	Bend	trans	83	-7.7	-171.5	0	0	0	0	0	115	Y181 E583	Y181-G587 WeakPolarHBondContact O-CA 3.25Å; E583-G587 VanDerWaalsContact O-CA 3.22Å; E583-G587 WeakPolarHBondContact O-CA 3.48Å; E583-G587 PolarHBondContact O-N 3.47Å
588	D	96.8	Very high	86	Confident	57 Å²	57	40.9 Å²	40.9	31%	0.305	22%	0.215	S	C	.	.	S	Bend	trans	-111.7	149.4	-175.7	-77.1	-17.8	0	0	0	111.9	F582 E583 T586 L590 K661 Y662	F582-D588 WeakPolarHBondContact CD1-O 3.33Å; E583-D588 VanDerWaalsContact CA-O 3.23Å; E583-D588 WeakPolarHBondContact CA-O 3.41Å; E583-D588 WeakPolarHBondContact CB-O 3.4Å; T586-D588 VanDerWaalsContact C-N 3.27Å; T586-D588 PolarHBondContact OG1-N 2.96Å; T586-D588 PolarHBondContact OG1-O 2.68Å; D588-L590 PolarHBondContact O-N 2.81Å; D588-K661 IonicContact OD2-NZ 3.4Å; D588-K661 PolarHBondContact OD2-NZ 2.95Å; D588-Y662 HydrophobicContact CB-CE1 4.46Å; D588-Y662 VanDerWaalsContact CB-OH 3.23Å; D588-Y662 WeakPolarHBondContact CB-OH 3.49Å; D588-Y662 WeakPolarHBondContact OD2-CE1 3.43Å; D588-Y662 PolarHBondContact OD2-OH 2.88Å
589	Y	96.9	Very high	83.6	Confident	73 Å²	73	45 Å²	45	29%	0.286	23%	0.231	S	C	.	.			trans	-63	137.4	169	-62.2	-56.5	0	0	0	111.9	Q556 E583 F591 E592	Q556-Y589 HydrophobicContact CB-CD1 3.81Å; Q556-Y589 HydrophobicContact CB-CE1 4.24Å; Q556-Y589 HydrophobicContact CB-CG 4.1Å; Q556-Y589 HydrophobicContact CG-CD1 3.78Å; Q556-Y589 HydrophobicContact CG-CD2 3.92Å; Q556-Y589 HydrophobicContact CG-CE1 4.03Å; Q556-Y589 HydrophobicContact CG-CE2 4.15Å; Q556-Y589 HydrophobicContact CG-CG 3.72Å; E583-Y589 HydrophobicContact CG-CD1 4.39Å; E583-Y589 WeakPolarHBondContact OE1-CE1 3.47Å; E583-Y589 WeakPolarHBondContact OE2-CD1 3.47Å; Y589-F591 VanDerWaalsContact C-N 3.33Å; Y589-E592 HydrophobicContact CD2-CG 4.38Å
590	L	96.5	Very high	80.7	Confident	23 Å²	23	49.1 Å²	49.1	12%	0.12	26%	0.26	C	S	.	.	S	Bend	trans	-64.6	-39.9	173.5	-177.1	60	0	0	0	111.9	C579 F582 D588 L618 L654 L680	C579-L590 HydrophobicContact CB-CB 4.48Å; F582-L590 HydrophobicContact CB-CB 4.2Å; F582-L590 HydrophobicContact CB-CD1 4.38Å; F582-L590 HydrophobicContact CD1-CB 3.73Å; F582-L590 HydrophobicContact CD1-CD1 3.92Å; F582-L590 HydrophobicContact CD1-CG 4.43Å; F582-L590 HydrophobicContact CD2-CD1 3.8Å; F582-L590 HydrophobicContact CE1-CB 4.33Å; F582-L590 HydrophobicContact CE1-CD1 4.08Å; F582-L590 HydrophobicContact CE2-CD1 3.96Å; F582-L590 HydrophobicContact CG-CB 4.05Å; F582-L590 HydrophobicContact CG-CD1 3.76Å; F582-L590 HydrophobicContact CG-CG 4.39Å; F582-L590 HydrophobicContact CZ-CD1 4.09Å; D588-L590 PolarHBondContact O-N 2.81Å; L590-L618 HydrophobicContact CD1-CD2 3.72Å; L590-L618 HydrophobicContact CD2-CD2 4.3Å; L590-L618 HydrophobicContact CG-CD2 4.14Å; L590-L654 HydrophobicContact CD1-CD1 4.25Å; L590-L680 HydrophobicContact CD2-CD1 3.86Å; L590-L680 HydrophobicContact CD2-CD2 4.08Å
591	F	94.6	Very high	77.9	Confident	2 Å²	2	60.8 Å²	60.8	1%	0.009	30%	0.304	C	S	.	.			trans	-128.2	108.1	176.6	-54.4	-63.1	0	0	0	109.9	W575 Y589 P593 H611 H614 I615 L618 L680	W575-F591 HydrophobicContact CH2-CE2 4.39Å; W575-F591 HydrophobicContact CZ2-CD2 4.32Å; W575-F591 AromaticContact CZ2-CE2 3.53Å; W575-F591 HydrophobicContact CZ2-CE2 3.53Å; W575-F591 HydrophobicContact CZ2-CZ 4.03Å; Y589-F591 VanDerWaalsContact C-N 3.33Å; F591-P593 VanDerWaalsContact C-CD 3.41Å; F591-P593 WeakPolarHBondContact O-CD 3.43Å; F591-H611 WeakPolarHBondContact CB-NE2 3.24Å; F591-H611 AromaticContact CD2-NE2 3.9Å; F591-H611 AromaticContact CG-NE2 3.79Å; F591-H614 HydrophobicContact CD1-CB 3.95Å; F591-I615 HydrophobicContact CD1-CG1 4.19Å; F591-I615 HydrophobicContact CE1-CB 4.48Å; F591-I615 HydrophobicContact CE1-CG1 3.89Å; F591-I615 HydrophobicContact CE2-CG1 4.29Å; F591-I615 HydrophobicContact CZ-CG1 3.94Å; F591-L618 HydrophobicContact CE1-CB 4.26Å; F591-L618 HydrophobicContact CE1-CD2 3.68Å; F591-L618 HydrophobicContact CZ-CD2 3.74Å; F591-L680 HydrophobicContact CE2-CD2 4.41Å
592	E	87.6	Confident	75.3	Confident	95 Å²	95	68.4 Å²	68.4	44%	0.444	35%	0.345	S	S	.	.			trans	-114.3	80.5	175.3	-167.2	174.5	-138.4	0	0	111.4	Y589 H594 H614	Y589-E592 HydrophobicContact CD2-CG 4.38Å; E592-H594 PolarHBondContact O-CE1 3.18Å; E592-H594 PolarHBondContact O-N 3Å; E592-H594 PolarHBondContact O-ND1 3.26Å; E592-H594 IonicContact OE2-CE1 2.6Å; E592-H614 PolarHBondContact O-CE1 3.07Å; E592-H614 VanDerWaalsContact O-CE1 3.25Å
593	P	77.1	Confident	72.8	Confident	4 Å²	4	74 Å²	74	3%	0.026	37%	0.371	C	S	.	.			trans	-69.1	123	-179.1	23.3	-30	0	0	0	111.9	R555 F591 D610 H611	R555-P593 HydrophobicContact CG-CG 4.47Å; R555-P593 PolarHBondContact NH1-O 2.99Å; R555-P593 VanDerWaalsContact NH2-CG 3.3Å; R555-P593 PolarHBondContact NH2-O 2.87Å; F591-P593 VanDerWaalsContact C-CD 3.41Å; F591-P593 WeakPolarHBondContact O-CD 3.43Å; P593-D610 HydrophobicContact CB-CB 4.41Å; P593-H611 HydrophobicContact CB-CB 3.79Å; P593-H611 HydrophobicContact CG-CB 3.84Å
594	H	70.8	Confident	70.2	Confident	118 Å²	118	77.7 Å²	77.7	55%	0.546	40%	0.402	S	S	.	.			trans	-96.2	153.7	175.8	-66.8	74.5	0	0	0	111.2	E592	E592-H594 PolarHBondContact O-CE1 3.18Å; E592-H594 PolarHBondContact O-N 3Å; E592-H594 PolarHBondContact O-ND1 3.26Å; E592-H594 IonicContact OE2-CE1 2.6Å
595	S	56.2	Low	67.7	Low	59 Å²	59	84.8 Å²	84.8	41%	0.413	44%	0.44	S	S	.	.			trans	-81.6	111.7	163.9	43.7	0	0	0	0	107.5	P606	S595-P606 VanDerWaalsContact N-CB 3.26Å
596	G	51.8	Low	65.6	Low	34 Å²	34	85.9 Å²	85.9	35%	0.351	45%	0.446	S	S	.	.			trans	-59.4	147.3	175.9	0	0	0	0	0	113.3	D598 Y599	G596-D598 PolarHBondContact O-N 3.23Å; G596-Y599 VanDerWaalsContact O-CD2 3.32Å; G596-Y599 WeakPolarHBondContact O-CD2 3.44Å; G596-Y599 PolarHBondContact O-N 3.14Å
597	E	46.5	Very low	63.9	Low	201 Å²	201	86.3 Å²	86.3	94%	0.939	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-18.5	176	-67.6	-175.5	150.6	0	0	113.6	Y599	E597-Y599 VanDerWaalsContact C-N 3.34Å
598	D	47.5	Very low	62.7	Low	162 Å²	162	89 Å²	89	87%	0.866	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-1	-176.8	-70.3	-31.5	0	0	0	114	G596	G596-D598 PolarHBondContact O-N 3.23Å
599	Y	49.3	Very low	61.8	Low	86 Å²	86	88.4 Å²	88.4	34%	0.337	46%	0.461	S	S	.	.	S	Bend	trans	-90.3	124.7	176.3	-56.2	-64.4	0	0	0	109.2	G596 E597 R601 D610	G596-Y599 VanDerWaalsContact O-CD2 3.32Å; G596-Y599 WeakPolarHBondContact O-CD2 3.44Å; G596-Y599 PolarHBondContact O-N 3.14Å; E597-Y599 VanDerWaalsContact C-N 3.34Å; Y599-R601 PolarHBondContact O-N 3.28Å; Y599-D610 PolarHBondContact OH-OD1 3.43Å
600	S	36.8	Very low	61.1	Low	89 Å²	89	85.9 Å²	85.9	62%	0.622	45%	0.452	S	S	*	.			trans	-43.2	130.7	179	36.8	0	0	0	0	111.4	D602 E603	S600-D602 PolarHBondContact O-N 3.29Å; S600-E603 PolarHBondContact O-N 3.3Å
601	R	40.5	Very low	60.8	Low	246 Å²	246	85 Å²	85	93%	0.928	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-40.5	-8.2	-176.8	-171.6	177.8	-82.2	-179.4	-7	117.6	Y599	Y599-R601 PolarHBondContact O-N 3.28Å
602	D	44.6	Very low	60.6	Low	160 Å²	160	84.9 Å²	84.9	86%	0.856	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-11.6	174.4	-77.5	-21.7	0	0	0	114.7	S600	S600-D602 PolarHBondContact O-N 3.29Å
603	E	47	Very low	60.8	Low	120 Å²	120	80.6 Å²	80.6	56%	0.561	43%	0.427	S	S	*	.			trans	-113.9	52.6	175.7	-66.8	-167.2	-172.9	0	0	111.9	S600 L605	S600-E603 PolarHBondContact O-N 3.3Å; E603-L605 PolarHBondContact O-N 3.18Å
604	A	42.5	Very low	61.4	Low	83 Å²	83	83.1 Å²	83.1	69%	0.686	44%	0.439	S	S	*	.			trans	-68.4	7.8	176.9	0	0	0	0	0	114.5
605	L	46.9	Very low	62.5	Low	149 Å²	149	77.5 Å²	77.5	78%	0.78	41%	0.413	S	S	*	.	S	Bend	trans	-95.8	122.7	174	-156.6	74.6	0	0	0	109.4	E603 S607	E603-L605 PolarHBondContact O-N 3.18Å; L605-S607 PolarHBondContact O-N 3.18Å
606	P	53	Low	64.3	Low	30 Å²	30	75.6 Å²	75.6	20%	0.195	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-65.1	124.2	-170.6	30.4	-40.9	0	0	0	112.2	R555 S595	R555-P606 PolarHBondContact NH2-O 3.27Å; R555-P606 VanDerWaalsContact NH2-O 3.07Å; S595-P606 VanDerWaalsContact N-CB 3.26Å
607	S	62.8	Low	66.3	Low	17 Å²	17	76 Å²	76	12%	0.119	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-75.7	139.6	-153.3	-167.7	0	0	0	0	112.9	L605 K609 D610	L605-S607 PolarHBondContact O-N 3.18Å; S607-K609 PolarHBondContact O-N 3.2Å; S607-K609 WeakPolarHBondContact OG-CB 3.28Å; S607-K609 PolarHBondContact OG-N 2.92Å; S607-D610 PolarHBondContact O-N 3.14Å; S607-D610 VanDerWaalsContact O-N 3.08Å
608	P	71.3	Confident	68.6	Low	62 Å²	62	67.6 Å²	67.6	40%	0.403	35%	0.352	S	S	.	.	H	α-helix	trans	-52.3	-23.6	166.7	-25.1	33.4	0	0	0	113.3	L563 H611 I612 F636	L563-P608 HydrophobicContact CD2-CB 4.5Å; P608-H611 PolarHBondContact O-N 3.42Å; P608-I612 WeakPolarHBondContact O-CG1 3.38Å; P608-I612 PolarHBondContact O-N 2.9Å; P608-I612 VanDerWaalsContact O-N 3.1Å; P608-F636 HydrophobicContact CB-CE1 3.97Å; P608-F636 HydrophobicContact CB-CZ 3.88Å
609	K	77.9	Confident	70.8	Confident	44 Å²	44	61.8 Å²	61.8	19%	0.191	32%	0.321	C	S	.	.	H	α-helix	trans	-62	-45.6	176	-69.6	169.3	-173.5	176.1	0	112.8	S607 H611 I612 A613 F636 H645 I646	S607-K609 PolarHBondContact O-N 3.2Å; S607-K609 WeakPolarHBondContact OG-CB 3.28Å; S607-K609 PolarHBondContact OG-N 2.92Å; K609-H611 VanDerWaalsContact C-N 3.32Å; K609-I612 PolarHBondContact O-N 3.34Å; K609-A613 PolarHBondContact O-N 3.05Å; K609-F636 HydrophobicContact CG-CD1 3.58Å; K609-F636 HydrophobicContact CG-CE1 3.9Å; K609-H645 PolarHBondContact NZ-CD2 3.44Å; K609-H645 PolarHBondContact NZ-NE2 3.3Å; K609-I646 HydrophobicContact CB-CD1 4.37Å
610	D	82.7	Confident	72.8	Confident	20 Å²	20	59.2 Å²	59.2	11%	0.107	32%	0.32	C	S	.	.	H	α-helix	trans	-69.9	-34.9	-178.7	-62.8	-41.2	0	0	0	110.3	P593 Y599 S607 A613 H614 I646	P593-D610 HydrophobicContact CB-CB 4.41Å; Y599-D610 PolarHBondContact OH-OD1 3.43Å; S607-D610 PolarHBondContact O-N 3.14Å; S607-D610 VanDerWaalsContact O-N 3.08Å; D610-A613 WeakPolarHBondContact O-CB 3.35Å; D610-A613 PolarHBondContact O-N 3.3Å; D610-H614 PolarHBondContact O-N 2.85Å; D610-I646 WeakPolarHBondContact OD1-CD1 3.31Å
611	H	89.5	Confident	75.4	Confident	4 Å²	4	60.6 Å²	60.6	2%	0.019	33%	0.328	C	S	.	.	H	α-helix	trans	-61.8	-48.4	173.5	-161.9	166.6	0	0	0	111.4	R555 L563 F591 P593 P608 K609 A613 H614 I615	R555-H611 PolarHBondContact O-CE1 3.34Å; L563-H611 HydrophobicContact CD1-CB 4.11Å; F591-H611 WeakPolarHBondContact CB-NE2 3.24Å; F591-H611 AromaticContact CD2-NE2 3.9Å; F591-H611 AromaticContact CG-NE2 3.79Å; P593-H611 HydrophobicContact CB-CB 3.79Å; P593-H611 HydrophobicContact CG-CB 3.84Å; P608-H611 PolarHBondContact O-N 3.42Å; K609-H611 VanDerWaalsContact C-N 3.32Å; H611-A613 PolarHBondContact O-N 2.87Å; H611-H614 PolarHBondContact O-N 3.03Å; H611-I615 WeakPolarHBondContact O-CG1 3.47Å; H611-I615 PolarHBondContact O-N 3.2Å; H611-I615 VanDerWaalsContact O-N 3.1Å
612	I	91	Very high	77.8	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.8	-35.5	176.7	-65.7	169.7	0	0	0	111.2	L563 I564 P608 K609 I615 I616 I622 F636 F637 L643	L563-I612 HydrophobicContact CB-CD1 4.4Å; L563-I612 HydrophobicContact CB-CG1 4.33Å; L563-I612 HydrophobicContact CD1-CG1 4.04Å; I564-I612 HydrophobicContact CG2-CD1 4.08Å; P608-I612 WeakPolarHBondContact O-CG1 3.38Å; P608-I612 PolarHBondContact O-N 2.9Å; P608-I612 VanDerWaalsContact O-N 3.1Å; K609-I612 PolarHBondContact O-N 3.34Å; I612-I615 PolarHBondContact O-N 3.3Å; I612-I616 HydrophobicContact CG2-CD1 4.06Å; I612-I616 VanDerWaalsContact O-CG1 3.31Å; I612-I616 WeakPolarHBondContact O-CG1 3.34Å; I612-I616 PolarHBondContact O-N 2.95Å; I612-I622 HydrophobicContact CG2-CD1 3.78Å; I612-F636 HydrophobicContact CD1-CB 4.08Å; I612-F636 HydrophobicContact CD1-CD1 4.23Å; I612-F636 HydrophobicContact CD1-CD2 3.65Å; I612-F636 HydrophobicContact CD1-CE2 4.13Å; I612-F636 HydrophobicContact CD1-CG 3.71Å; I612-F637 HydrophobicContact CD1-CE2 4.46Å; I612-F637 HydrophobicContact CD1-CZ 4.42Å; I612-F637 HydrophobicContact CG2-CE1 4.1Å; I612-F637 HydrophobicContact CG2-CZ 3.61Å; I612-L643 HydrophobicContact CB-CD2 4.48Å; I612-L643 HydrophobicContact CG2-CD1 4.47Å; I612-L643 HydrophobicContact CG2-CD2 3.82Å
613	A	90.4	Very high	80.2	Confident	4 Å²	4	43.7 Å²	43.7	3%	0.033	26%	0.259	C	S	.	.	H	α-helix	trans	-62.6	-46.7	175.3	0	0	0	0	0	112.1	K609 D610 H611 I615 I616 E617 L643 I646 L649	K609-A613 PolarHBondContact O-N 3.05Å; D610-A613 WeakPolarHBondContact O-CB 3.35Å; D610-A613 PolarHBondContact O-N 3.3Å; H611-A613 PolarHBondContact O-N 2.87Å; A613-I615 VanDerWaalsContact C-N 3.28Å; A613-I615 PolarHBondContact O-N 3.32Å; A613-I616 PolarHBondContact O-N 2.82Å; A613-E617 WeakPolarHBondContact O-CG 3.41Å; A613-E617 PolarHBondContact O-N 3.08Å; A613-L643 HydrophobicContact CB-CD1 3.92Å; A613-I646 HydrophobicContact CB-CD1 3.66Å; A613-I646 HydrophobicContact CB-CG2 4.21Å; A613-L649 HydrophobicContact CB-CD2 3.74Å
614	H	91	Very high	82.4	Confident	57 Å²	57	45.3 Å²	45.3	26%	0.264	26%	0.26	S	S	.	.	H	α-helix	trans	-59.7	-39.2	176.1	-68.8	-174.6	0	0	0	112.1	F591 E592 D610 H611 I616 E617 L618	F591-H614 HydrophobicContact CD1-CB 3.95Å; E592-H614 PolarHBondContact O-CE1 3.07Å; E592-H614 VanDerWaalsContact O-CE1 3.25Å; D610-H614 PolarHBondContact O-N 2.85Å; H611-H614 PolarHBondContact O-N 3.03Å; H614-I616 VanDerWaalsContact C-N 3.32Å; H614-I616 PolarHBondContact O-N 2.86Å; H614-E617 IonicContact CD2-OE2 2.87Å; H614-E617 PolarHBondContact O-N 3.3Å; H614-L618 WeakPolarHBondContact O-CB 3.42Å; H614-L618 PolarHBondContact O-N 2.96Å
615	I	94.4	Very high	84.8	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-60.4	-43.6	174.6	-67.1	170.6	0	0	0	110.7	I560 L563 W575 F591 H611 I612 A613 L618 L619 M682	I560-I615 HydrophobicContact CB-CD1 4.14Å; I560-I615 HydrophobicContact CD1-CG2 4.19Å; L563-I615 HydrophobicContact CD1-CD1 3.91Å; W575-I615 HydrophobicContact CH2-CD1 4.07Å; W575-I615 HydrophobicContact CH2-CG1 4.22Å; W575-I615 HydrophobicContact CH2-CG2 3.98Å; W575-I615 HydrophobicContact CZ2-CD1 3.72Å; W575-I615 HydrophobicContact CZ2-CG1 3.97Å; F591-I615 HydrophobicContact CD1-CG1 4.19Å; F591-I615 HydrophobicContact CE1-CB 4.48Å; F591-I615 HydrophobicContact CE1-CG1 3.89Å; F591-I615 HydrophobicContact CE2-CG1 4.29Å; F591-I615 HydrophobicContact CZ-CG1 3.94Å; H611-I615 WeakPolarHBondContact O-CG1 3.47Å; H611-I615 PolarHBondContact O-N 3.2Å; H611-I615 VanDerWaalsContact O-N 3.1Å; I612-I615 PolarHBondContact O-N 3.3Å; A613-I615 VanDerWaalsContact C-N 3.28Å; A613-I615 PolarHBondContact O-N 3.32Å; I615-L618 PolarHBondContact O-N 3.22Å; I615-L619 HydrophobicContact CG2-CD1 4.16Å; I615-L619 WeakPolarHBondContact O-CB 3.14Å; I615-L619 PolarHBondContact O-N 3.49Å; I615-M682 HydrophobicContact CG2-CE 4.33Å
616	I	93.1	Very high	87	Confident	19 Å²	19	41 Å²	41	10%	0.097	22%	0.221	C	C	.	.	H	α-helix	trans	-69.1	-37.1	178.9	-64.3	168.3	0	0	0	111.7	I612 A613 H614 L618 G620 I622 F637 L643 L649	I612-I616 HydrophobicContact CG2-CD1 4.06Å; I612-I616 VanDerWaalsContact O-CG1 3.31Å; I612-I616 WeakPolarHBondContact O-CG1 3.34Å; I612-I616 PolarHBondContact O-N 2.95Å; A613-I616 PolarHBondContact O-N 2.82Å; H614-I616 VanDerWaalsContact C-N 3.32Å; H614-I616 PolarHBondContact O-N 2.86Å; I616-L618 VanDerWaalsContact C-N 3.33Å; I616-G620 VanDerWaalsContact CA-O 3.31Å; I616-G620 WeakPolarHBondContact CA-O 3.49Å; I616-G620 WeakPolarHBondContact CG2-O 3.14Å; I616-G620 CarbonylContact O-C 3.49Å; I616-G620 WeakPolarHBondContact O-CA 3.39Å; I616-G620 PolarHBondContact O-N 3.32Å; I616-I622 HydrophobicContact CD1-CD1 3.77Å; I616-I622 HydrophobicContact CD1-CG1 4.42Å; I616-I622 HydrophobicContact CG1-CD1 3.66Å; I616-I622 HydrophobicContact CG1-CG1 3.92Å; I616-F637 HydrophobicContact CD1-CE1 4.49Å; I616-L643 HydrophobicContact CD1-CD1 3.61Å; I616-L643 HydrophobicContact CD1-CD2 4.48Å; I616-L643 HydrophobicContact CD1-CG 3.73Å; I616-L649 HydrophobicContact CB-CD1 4.32Å; I616-L649 HydrophobicContact CG2-CD1 3.59Å
617	E	92.9	Very high	88.9	Confident	44 Å²	44	39.5 Å²	39.5	21%	0.206	21%	0.211	C	C	.	.	H	α-helix	trans	-64	-39.2	177.6	-74.1	176.1	154.9	0	0	111.9	A613 H614 L649 K650 P651 W652	A613-E617 WeakPolarHBondContact O-CG 3.41Å; A613-E617 PolarHBondContact O-N 3.08Å; H614-E617 IonicContact CD2-OE2 2.87Å; H614-E617 PolarHBondContact O-N 3.3Å; E617-L649 HydrophobicContact CG-CB 3.95Å; E617-L649 HydrophobicContact CG-CD2 4.02Å; E617-L649 WeakPolarHBondContact OE1-CA 3.44Å; E617-K650 PolarHBondContact OE1-N 3.05Å; E617-P651 VanDerWaalsContact O-CA 3.26Å; E617-P651 WeakPolarHBondContact O-CA 3.48Å; E617-W652 PolarHBondContact O-N 3.36Å
618	L	94.7	Very high	90.3	Very high	24 Å²	24	42.2 Å²	42.2	13%	0.126	22%	0.224	C	C	.	.	H	α-helix	trans	-80.5	-45.7	-179.4	-172.1	75.2	0	0	0	113.1	L590 F591 H614 I615 I616 L654	L590-L618 HydrophobicContact CD1-CD2 3.72Å; L590-L618 HydrophobicContact CD2-CD2 4.3Å; L590-L618 HydrophobicContact CG-CD2 4.14Å; F591-L618 HydrophobicContact CE1-CB 4.26Å; F591-L618 HydrophobicContact CE1-CD2 3.68Å; F591-L618 HydrophobicContact CZ-CD2 3.74Å; H614-L618 WeakPolarHBondContact O-CB 3.42Å; H614-L618 PolarHBondContact O-N 2.96Å; I615-L618 PolarHBondContact O-N 3.22Å; I616-L618 VanDerWaalsContact C-N 3.33Å; L618-L654 HydrophobicContact CD1-CB 3.95Å; L618-L654 HydrophobicContact CD1-CD1 4.36Å; L618-L654 HydrophobicContact CG-CB 4.46Å
619	L	95	Very high	91.3	Very high	40 Å²	40	42.7 Å²	42.7	21%	0.209	23%	0.229	C	C	.	.	H	α-helix	trans	-110.7	-7.5	-166.7	-55.2	178.4	0	0	0	113.8	W575 I615 L677 L680 M682	W575-L619 HydrophobicContact CH2-CD1 3.97Å; W575-L619 HydrophobicContact CZ3-CD1 4.29Å; I615-L619 HydrophobicContact CG2-CD1 4.16Å; I615-L619 WeakPolarHBondContact O-CB 3.14Å; I615-L619 PolarHBondContact O-N 3.49Å; L619-L677 HydrophobicContact CD2-CD2 3.8Å; L619-L680 HydrophobicContact CD1-CB 3.9Å; L619-L680 WeakPolarHBondContact CD1-O 3.32Å; L619-L680 HydrophobicContact CD2-CB 4.14Å; L619-L680 HydrophobicContact CD2-CD1 4.24Å; L619-M682 HydrophobicContact CB-CE 3.33Å; L619-M682 HydrophobicContact CD1-CE 4.3Å; L619-M682 HydrophobicContact CG-CE 4.46Å
620	G	91.9	Very high	92	Very high	31 Å²	31	41 Å²	41	32%	0.32	23%	0.225	S	C	.	.			trans	91.1	-165	179.4	0	0	0	0	0	114.6	I616 I622 M682	I616-G620 VanDerWaalsContact CA-O 3.31Å; I616-G620 WeakPolarHBondContact CA-O 3.49Å; I616-G620 WeakPolarHBondContact CG2-O 3.14Å; I616-G620 CarbonylContact O-C 3.49Å; I616-G620 WeakPolarHBondContact O-CA 3.39Å; I616-G620 PolarHBondContact O-N 3.32Å; G620-I622 PolarHBondContact O-N 3.22Å; G620-M682 VanDerWaalsContact O-CE 3.31Å; G620-M682 WeakPolarHBondContact O-CE 3.39Å
621	C	90.1	Very high	92.5	Very high	118 Å²	118	47.6 Å²	47.6	80%	0.797	25%	0.252	S	S	*	.	P	Polyproline II helix	trans	-69.8	131.9	-172.6	-59.7	0	0	0	0	112.7
622	I	91.8	Very high	92.5	Very high	11 Å²	11	51.6 Å²	51.6	6%	0.056	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-67.4	131.4	175.4	-57.6	153.9	0	0	0	109.9	I560 I612 I616 G620 R624 F626 A627 F637 M682	I560-I622 HydrophobicContact CD1-CD1 3.47Å; I560-I622 VanDerWaalsContact CD1-CD1 3.47Å; I560-I622 HydrophobicContact CD1-CG1 3.68Å; I560-I622 HydrophobicContact CD1-CG2 4.19Å; I612-I622 HydrophobicContact CG2-CD1 3.78Å; I616-I622 HydrophobicContact CD1-CD1 3.77Å; I616-I622 HydrophobicContact CD1-CG1 4.42Å; I616-I622 HydrophobicContact CG1-CD1 3.66Å; I616-I622 HydrophobicContact CG1-CG1 3.92Å; G620-I622 PolarHBondContact O-N 3.22Å; I622-R624 PolarHBondContact O-N 2.86Å; I622-F626 HydrophobicContact CG2-CD1 3.77Å; I622-F626 HydrophobicContact CG2-CE1 4.49Å; I622-A627 HydrophobicContact CB-CB 4.24Å; I622-A627 HydrophobicContact CG2-CB 3.78Å; I622-F637 HydrophobicContact CD1-CE1 3.68Å; I622-F637 HydrophobicContact CD1-CZ 3.47Å; I622-F637 VanDerWaalsContact CD1-CZ 3.47Å; I622-M682 VanDerWaalsContact CA-SD 3.6Å; I622-M682 HydrophobicContact CB-SD 3.95Å; I622-M682 HydrophobicContact CG1-CE 4.34Å; I622-M682 HydrophobicContact CG1-SD 3.51Å; I622-M682 VanDerWaalsContact CG1-SD 3.51Å; I622-M682 HydrophobicContact CG2-SD 4.18Å
623	P	94.1	Very high	92.4	Very high	41 Å²	41	51.7 Å²	51.7	27%	0.266	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-54.6	125.4	177	-27.2	35.2	0	0	0	111.6	H625 F626 A627 V683	P623-H625 WeakPolarHBondContact CB-CE1 3.43Å; P623-H625 PolarHBondContact O-N 2.76Å; P623-H625 VanDerWaalsContact O-N 3.09Å; P623-F626 HydrophobicContact CB-CB 4.46Å; P623-F626 WeakPolarHBondContact O-CA 3.43Å; P623-F626 WeakPolarHBondContact O-CB 3.37Å; P623-F626 PolarHBondContact O-N 3.42Å; P623-A627 PolarHBondContact O-N 3.44Å; P623-V683 HydrophobicContact CG-CG2 4.07Å
624	R	92.9	Very high	92.3	Very high	153 Å²	153	61.8 Å²	61.8	58%	0.577	31%	0.305	S	S	*	.	H	α-helix	trans	-52.4	-39.7	-172.5	-178.7	-179.6	177.9	-152	-0.1	114.2	I622 F626 L628 R639 R640	I622-R624 PolarHBondContact O-N 2.86Å; R624-F626 VanDerWaalsContact C-N 3.28Å; R624-F626 PolarHBondContact O-N 3.46Å; R624-L628 HydrophobicContact CG-CD1 3.86Å; R624-L628 HydrophobicContact CG-CG 4.44Å; R624-L628 WeakPolarHBondContact O-CB 3.47Å; R624-L628 WeakPolarHBondContact O-CG 3.35Å; R624-L628 PolarHBondContact O-N 3.06Å; R624-R639 PolarHBondContact NE-O 3.43Å; R624-R639 PolarHBondContact NH2-O 3.25Å; R624-R640 WeakPolarHBondContact CD-O 3.24Å
625	H	92.8	Very high	92.1	Very high	128 Å²	128	64.3 Å²	64.3	59%	0.593	32%	0.318	S	S	*	.	H	α-helix	trans	-62.9	-38.4	179.7	65.5	-83.6	0	0	0	111.6	P623 S629	P623-H625 WeakPolarHBondContact CB-CE1 3.43Å; P623-H625 PolarHBondContact O-N 2.76Å; P623-H625 VanDerWaalsContact O-N 3.09Å; H625-S629 WeakPolarHBondContact O-CB 3.3Å; H625-S629 PolarHBondContact O-N 3.35Å
626	F	94	Very high	91.6	Very high	13 Å²	13	64.8 Å²	64.8	6%	0.057	32%	0.319	C	S	.	.	H	α-helix	trans	-78.2	-46	178.3	-179.8	-112.5	0	0	0	111.6	I560 E561 I564 I622 P623 R624 L628 S629 M682 V683 P684	I560-F626 HydrophobicContact CD1-CE1 4.32Å; I560-F626 HydrophobicContact CG1-CE1 4.19Å; I560-F626 HydrophobicContact CG2-CE1 3.8Å; I560-F626 HydrophobicContact CG2-CZ 4.15Å; E561-F626 HydrophobicContact CB-CE2 4.4Å; E561-F626 HydrophobicContact CB-CZ 3.95Å; I564-F626 HydrophobicContact CD1-CD1 4.24Å; I564-F626 HydrophobicContact CD1-CE1 3.81Å; I564-F626 HydrophobicContact CD1-CE2 4.11Å; I564-F626 HydrophobicContact CD1-CZ 3.75Å; I622-F626 HydrophobicContact CG2-CD1 3.77Å; I622-F626 HydrophobicContact CG2-CE1 4.49Å; P623-F626 HydrophobicContact CB-CB 4.46Å; P623-F626 WeakPolarHBondContact O-CA 3.43Å; P623-F626 WeakPolarHBondContact O-CB 3.37Å; P623-F626 PolarHBondContact O-N 3.42Å; R624-F626 VanDerWaalsContact C-N 3.28Å; R624-F626 PolarHBondContact O-N 3.46Å; F626-L628 PolarHBondContact O-N 3.49Å; F626-S629 WeakPolarHBondContact O-CB 3.5Å; F626-S629 PolarHBondContact O-N 3.38Å; F626-S629 PolarHBondContact O-OG 3.1Å; F626-M682 HydrophobicContact CE1-CB 4.5Å; F626-M682 WeakPolarHBondContact CE1-O 3.45Å; F626-M682 VanDerWaalsContact CZ-O 3.27Å; F626-M682 WeakPolarHBondContact CZ-O 3.36Å; F626-V683 HydrophobicContact CB-CG2 4.14Å; F626-V683 HydrophobicContact CG-CG2 4.22Å; F626-P684 HydrophobicContact CE2-CG 4.21Å; F626-P684 HydrophobicContact CZ-CG 4.3Å
627	A	92.1	Very high	91.5	Very high	0 Å²	0	64 Å²	64	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-54.2	-31.2	177.3	0	0	0	0	0	113.2	I622 P623 S633 F637	I622-A627 HydrophobicContact CB-CB 4.24Å; I622-A627 HydrophobicContact CG2-CB 3.78Å; P623-A627 PolarHBondContact O-N 3.44Å; A627-S633 WeakPolarHBondContact O-CB 3.26Å; A627-S633 PolarHBondContact O-OG 3.06Å; A627-F637 HydrophobicContact CB-CD1 4.3Å; A627-F637 HydrophobicContact CB-CD2 4.25Å; A627-F637 HydrophobicContact CB-CE1 4.35Å; A627-F637 HydrophobicContact CB-CE2 4.32Å; A627-F637 HydrophobicContact CB-CG 4.25Å; A627-F637 HydrophobicContact CB-CZ 4.37Å; A627-F637 VanDerWaalsContact O-CD2 3.28Å; A627-F637 WeakPolarHBondContact O-CD2 3.49Å
628	L	92.9	Very high	91.3	Very high	73 Å²	73	63.9 Å²	63.9	38%	0.382	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	0.8	-179.5	-60.4	180	0	0	0	114.4	R624 F626 F637 N638	R624-L628 HydrophobicContact CG-CD1 3.86Å; R624-L628 HydrophobicContact CG-CG 4.44Å; R624-L628 WeakPolarHBondContact O-CB 3.47Å; R624-L628 WeakPolarHBondContact O-CG 3.35Å; R624-L628 PolarHBondContact O-N 3.06Å; F626-L628 PolarHBondContact O-N 3.49Å; L628-F637 HydrophobicContact CD2-CB 4.24Å; L628-N638 WeakPolarHBondContact CD2-O 3.32Å
629	S	92.9	Very high	91.1	Very high	72 Å²	72	73.2 Å²	73.2	50%	0.503	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-25.9	-177	69	0	0	0	0	113.8	H625 F626	H625-S629 WeakPolarHBondContact O-CB 3.3Å; H625-S629 PolarHBondContact O-N 3.35Å; F626-S629 WeakPolarHBondContact O-CB 3.5Å; F626-S629 PolarHBondContact O-N 3.38Å; F626-S629 PolarHBondContact O-OG 3.1Å
630	G	91.8	Very high	90.6	Very high	10 Å²	10	80.1 Å²	80.1	10%	0.103	37%	0.373	C	S	.	.	S	Bend	trans	-76.4	151.8	-173.5	0	0	0	0	0	114.4	I564 G565 Y632 S633	I564-G630 CarbonylContact O-C 3.58Å; I564-G630 VanDerWaalsContact O-C 3.29Å; I564-G630 WeakPolarHBondContact O-CA 3.29Å; G565-G630 WeakPolarHBondContact O-CA 3.29Å; G630-Y632 VanDerWaalsContact C-N 3.26Å; G630-Y632 PolarHBondContact O-N 3.31Å; G630-S633 VanDerWaalsContact CA-OG 3.28Å; G630-S633 WeakPolarHBondContact CA-OG 3.31Å; G630-S633 PolarHBondContact N-OG 3.04Å; G630-S633 VanDerWaalsContact O-CB 3.25Å; G630-S633 WeakPolarHBondContact O-CB 3.37Å; G630-S633 PolarHBondContact O-N 3.5Å; G630-S633 PolarHBondContact O-OG 2.94Å
631	K	92.3	Very high	90.3	Very high	158 Å²	158	79.1 Å²	79.1	69%	0.687	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-38.3	176.5	-175.5	-178.2	174.1	-166.6	0	112.3	I564 G565	I564-K631 PolarHBondContact O-N 3.16Å; G565-K631 PolarHBondContact O-N 2.9Å
632	Y	89.5	Confident	90.1	Very high	87 Å²	87	78.5 Å²	78.5	34%	0.341	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-0.5	-177.2	-50.4	-55.4	0	0	0	112.8	I564 G630 R634 E635 F636	I564-Y632 PolarHBondContact O-N 3.18Å; G630-Y632 VanDerWaalsContact C-N 3.26Å; G630-Y632 PolarHBondContact O-N 3.31Å; Y632-R634 PolarHBondContact O-N 3.09Å; Y632-E635 WeakPolarHBondContact O-CB 3.4Å; Y632-E635 PolarHBondContact O-N 2.87Å; Y632-F636 WeakPolarHBondContact O-CD2 3.43Å
633	S	89.8	Confident	89.9	Confident	2 Å²	2	78.8 Å²	78.8	1%	0.014	35%	0.35	C	S	.	.	H	α-helix	trans	-53	-31.2	-176.4	-72	0	0	0	0	114.7	A627 G630 E635 F636 F637	A627-S633 WeakPolarHBondContact O-CB 3.26Å; A627-S633 PolarHBondContact O-OG 3.06Å; G630-S633 VanDerWaalsContact CA-OG 3.28Å; G630-S633 WeakPolarHBondContact CA-OG 3.31Å; G630-S633 PolarHBondContact N-OG 3.04Å; G630-S633 VanDerWaalsContact O-CB 3.25Å; G630-S633 WeakPolarHBondContact O-CB 3.37Å; G630-S633 PolarHBondContact O-N 3.5Å; G630-S633 PolarHBondContact O-OG 2.94Å; S633-E635 PolarHBondContact O-N 2.83Å; S633-F636 PolarHBondContact O-N 3.32Å; S633-F637 PolarHBondContact O-N 3.2Å
634	R	87.4	Confident	89.3	Confident	216 Å²	216	83 Å²	83	82%	0.815	36%	0.361	S	S	*	.	H	α-helix	trans	-68.9	-22.8	-178.5	-67.2	-177.7	-179.2	176.1	3	113.4	Y632 R644	Y632-R634 PolarHBondContact O-N 3.09Å; R634-R644 PolarHBondContact O-NE 3.48Å; R634-R644 PolarHBondContact O-NH2 2.91Å
635	E	86.9	Confident	88.4	Confident	111 Å²	111	81.2 Å²	81.2	52%	0.519	36%	0.359	S	S	.	.	H	α-helix	trans	-77.6	-30.8	178.3	-60.7	176.1	-155.4	0	0	111.4	Y632 S633	Y632-E635 WeakPolarHBondContact O-CB 3.4Å; Y632-E635 PolarHBondContact O-N 2.87Å; S633-E635 PolarHBondContact O-N 2.83Å
636	F	85.9	Confident	87.5	Confident	9 Å²	9	76.5 Å²	76.5	4%	0.039	34%	0.337	C	S	.	.	H	α-helix	trans	-100.6	-43.4	-174.3	-48.7	-51.3	0	0	0	112.6	L563 P608 K609 I612 Y632 S633 L643 R644	L563-F636 WeakPolarHBondContact O-CE2 3.18Å; P608-F636 HydrophobicContact CB-CE1 3.97Å; P608-F636 HydrophobicContact CB-CZ 3.88Å; K609-F636 HydrophobicContact CG-CD1 3.58Å; K609-F636 HydrophobicContact CG-CE1 3.9Å; I612-F636 HydrophobicContact CD1-CB 4.08Å; I612-F636 HydrophobicContact CD1-CD1 4.23Å; I612-F636 HydrophobicContact CD1-CD2 3.65Å; I612-F636 HydrophobicContact CD1-CE2 4.13Å; I612-F636 HydrophobicContact CD1-CG 3.71Å; Y632-F636 WeakPolarHBondContact O-CD2 3.43Å; S633-F636 PolarHBondContact O-N 3.32Å; F636-L643 HydrophobicContact CB-CD2 4.31Å; F636-L643 WeakPolarHBondContact O-CA 3.22Å; F636-R644 PolarHBondContact O-N 3.23Å
637	F	89.6	Confident	86.5	Confident	2 Å²	2	81.7 Å²	81.7	1%	0.009	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	-111.6	146.5	-169.1	-56.4	-77.5	0	0	0	113.7	I564 I612 I616 I622 A627 L628 S633 G641 E642 L643 R644	I564-F637 HydrophobicContact CG2-CE2 3.89Å; I612-F637 HydrophobicContact CD1-CE2 4.46Å; I612-F637 HydrophobicContact CD1-CZ 4.42Å; I612-F637 HydrophobicContact CG2-CE1 4.1Å; I612-F637 HydrophobicContact CG2-CZ 3.61Å; I616-F637 HydrophobicContact CD1-CE1 4.49Å; I622-F637 HydrophobicContact CD1-CE1 3.68Å; I622-F637 HydrophobicContact CD1-CZ 3.47Å; I622-F637 VanDerWaalsContact CD1-CZ 3.47Å; A627-F637 HydrophobicContact CB-CD1 4.3Å; A627-F637 HydrophobicContact CB-CD2 4.25Å; A627-F637 HydrophobicContact CB-CE1 4.35Å; A627-F637 HydrophobicContact CB-CE2 4.32Å; A627-F637 HydrophobicContact CB-CG 4.25Å; A627-F637 HydrophobicContact CB-CZ 4.37Å; A627-F637 VanDerWaalsContact O-CD2 3.28Å; A627-F637 WeakPolarHBondContact O-CD2 3.49Å; L628-F637 HydrophobicContact CD2-CB 4.24Å; S633-F637 PolarHBondContact O-N 3.2Å; F637-G641 WeakPolarHBondContact CD1-O 3.48Å; F637-E642 CarbonylContact C-O 3.5Å; F637-E642 VanDerWaalsContact CA-O 3.29Å; F637-E642 WeakPolarHBondContact CA-O 3.31Å; F637-L643 HydrophobicContact CD1-CD2 4.09Å; F637-L643 HydrophobicContact CE1-CD2 3.75Å; F637-L643 HydrophobicContact CE1-CG 4.25Å; F637-L643 HydrophobicContact CZ-CD2 4.28Å; F637-R644 PolarHBondContact O-NE 3.45Å; F637-R644 PolarHBondContact O-NH2 3.24Å
638	N	89.4	Confident	85.9	Confident	42 Å²	42	90.6 Å²	90.6	23%	0.225	41%	0.409	C	S	.	.			trans	-80.7	176.7	168.4	75.3	17.7	0	0	0	110.9	L628 R640 G641 E642 R644	L628-N638 WeakPolarHBondContact CD2-O 3.32Å; N638-R640 PolarHBondContact O-N 3.32Å; N638-R640 VanDerWaalsContact O-N 3.08Å; N638-R640 VanDerWaalsContact OD1-CA 3.28Å; N638-R640 WeakPolarHBondContact OD1-CA 3.4Å; N638-R640 VanDerWaalsContact OD1-CB 3.24Å; N638-R640 WeakPolarHBondContact OD1-CB 3.44Å; N638-R640 PolarHBondContact OD1-N 3.23Å; N638-G641 PolarHBondContact O-N 3.03Å; N638-G641 PolarHBondContact OD1-N 3.03Å; N638-E642 PolarHBondContact N-O 3.36Å; N638-E642 PolarHBondContact ND2-OE2 3.33Å; N638-E642 PolarHBondContact OD1-N 3.02Å; N638-R644 HydrophobicContact CB-CG 4.29Å
639	R	89	Confident	85.5	Confident	220 Å²	220	89.8 Å²	89.8	83%	0.83	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-15.8	-180	-67.3	-175.6	-179.3	172.6	0.8	114.7	R624	R624-R639 PolarHBondContact NE-O 3.43Å; R624-R639 PolarHBondContact NH2-O 3.25Å
640	R	86.5	Confident	85.3	Confident	185 Å²	185	94.5 Å²	94.5	70%	0.698	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-13.7	176.5	-56.7	-179.1	177.1	-162.2	-0.8	112.1	R624 N638 E642	R624-R640 WeakPolarHBondContact CD-O 3.24Å; N638-R640 PolarHBondContact O-N 3.32Å; N638-R640 VanDerWaalsContact O-N 3.08Å; N638-R640 VanDerWaalsContact OD1-CA 3.28Å; N638-R640 WeakPolarHBondContact OD1-CA 3.4Å; N638-R640 VanDerWaalsContact OD1-CB 3.24Å; N638-R640 WeakPolarHBondContact OD1-CB 3.44Å; N638-R640 PolarHBondContact OD1-N 3.23Å; R640-E642 HydrophobicContact CB-CG 4.3Å
641	G	84.4	Confident	85.3	Confident	11 Å²	11	99.1 Å²	99.1	11%	0.113	45%	0.445	C	S	.	.	S	Bend	trans	91.3	13.6	-176	0	0	0	0	0	113.6	F637 N638	F637-G641 WeakPolarHBondContact CD1-O 3.48Å; N638-G641 PolarHBondContact O-N 3.03Å; N638-G641 PolarHBondContact OD1-N 3.03Å
642	E	86.8	Confident	85.3	Confident	104 Å²	104	96.9 Å²	96.9	49%	0.486	43%	0.432	S	S	.	.			trans	-97.6	151.9	178.6	-53.6	155.7	157.4	0	0	110.1	F637 N638 R640	F637-E642 CarbonylContact C-O 3.5Å; F637-E642 VanDerWaalsContact CA-O 3.29Å; F637-E642 WeakPolarHBondContact CA-O 3.31Å; N638-E642 PolarHBondContact N-O 3.36Å; N638-E642 PolarHBondContact ND2-OE2 3.33Å; N638-E642 PolarHBondContact OD1-N 3.02Å; R640-E642 HydrophobicContact CB-CG 4.3Å
643	L	86.4	Confident	85.5	Confident	18 Å²	18	95 Å²	95	9%	0.094	43%	0.431	C	S	.	.	B	Isolated β-bridge	trans	-61.4	138.9	176.7	-76	179.2	0	0	0	111.8	I612 A613 I616 F636 F637 I646 L649	I612-L643 HydrophobicContact CB-CD2 4.48Å; I612-L643 HydrophobicContact CG2-CD1 4.47Å; I612-L643 HydrophobicContact CG2-CD2 3.82Å; A613-L643 HydrophobicContact CB-CD1 3.92Å; I616-L643 HydrophobicContact CD1-CD1 3.61Å; I616-L643 HydrophobicContact CD1-CD2 4.48Å; I616-L643 HydrophobicContact CD1-CG 3.73Å; F636-L643 HydrophobicContact CB-CD2 4.31Å; F636-L643 WeakPolarHBondContact O-CA 3.22Å; F637-L643 HydrophobicContact CD1-CD2 4.09Å; F637-L643 HydrophobicContact CE1-CD2 3.75Å; F637-L643 HydrophobicContact CE1-CG 4.25Å; F637-L643 HydrophobicContact CZ-CD2 4.28Å; L643-I646 HydrophobicContact CD1-CB 4.3Å; L643-L649 HydrophobicContact CD1-CD2 4.4Å
644	R	80.9	Confident	85.9	Confident	130 Å²	130	95 Å²	95	49%	0.491	43%	0.431	S	S	.	.	S	Bend	trans	-77.8	-44.5	-176.5	-72.8	175.9	173.6	-109.6	5.5	114.1	R634 F636 F637 N638	R634-R644 PolarHBondContact O-NE 3.48Å; R634-R644 PolarHBondContact O-NH2 2.91Å; F636-R644 PolarHBondContact O-N 3.23Å; F637-R644 PolarHBondContact O-NE 3.45Å; F637-R644 PolarHBondContact O-NH2 3.24Å; N638-R644 HydrophobicContact CB-CG 4.29Å
645	H	74.8	Confident	86.3	Confident	115 Å²	115	87.7 Å²	87.7	53%	0.532	41%	0.406	S	S	.	.	S	Bend	trans	-101.4	-27.6	-166.8	-60.3	-74	0	0	0	112.5	K609	K609-H645 PolarHBondContact NZ-CD2 3.44Å; K609-H645 PolarHBondContact NZ-NE2 3.3Å
646	I	74.8	Confident	86.8	Confident	28 Å²	28	85.4 Å²	85.4	14%	0.144	40%	0.397	C	S	.	.			trans	-107.6	109.5	-177.6	-57	168.4	0	0	0	107.7	K609 D610 A613 L643 L649	K609-I646 HydrophobicContact CB-CD1 4.37Å; D610-I646 WeakPolarHBondContact OD1-CD1 3.31Å; A613-I646 HydrophobicContact CB-CD1 3.66Å; A613-I646 HydrophobicContact CB-CG2 4.21Å; L643-I646 HydrophobicContact CD1-CB 4.3Å; I646-L649 HydrophobicContact CG2-CD2 3.71Å; I646-L649 HydrophobicContact CG2-CG 4.46Å
647	T	72.6	Confident	87.3	Confident	123 Å²	123	85.8 Å²	85.8	76%	0.755	40%	0.4	S	S	*	.			trans	-110.3	-17.1	-177.3	52.1	0	0	0	0	113
648	K	80	Confident	87.7	Confident	186 Å²	186	85.7 Å²	85.7	81%	0.809	40%	0.4	S	S	*	.			trans	-106.9	86.5	177.6	-65.3	-178.3	-176.9	176.4	0	108.9
649	L	83.9	Confident	88.1	Confident	56 Å²	56	85.1 Å²	85.1	29%	0.293	40%	0.397	S	S	.	.			trans	-89.2	145.9	171.1	-61	169.1	0	0	0	108.8	A613 I616 E617 L643 I646 P651	A613-L649 HydrophobicContact CB-CD2 3.74Å; I616-L649 HydrophobicContact CB-CD1 4.32Å; I616-L649 HydrophobicContact CG2-CD1 3.59Å; E617-L649 HydrophobicContact CG-CB 3.95Å; E617-L649 HydrophobicContact CG-CD2 4.02Å; E617-L649 WeakPolarHBondContact OE1-CA 3.44Å; L643-L649 HydrophobicContact CD1-CD2 4.4Å; I646-L649 HydrophobicContact CG2-CD2 3.71Å; I646-L649 HydrophobicContact CG2-CG 4.46Å; L649-P651 WeakPolarHBondContact O-CD 3.49Å
650	K	88.1	Confident	88.5	Confident	171 Å²	171	81 Å²	81	74%	0.743	39%	0.388	S	S	*	.			trans	-113.8	86.4	173.7	-64.7	178.3	-175.2	173.6	0	108.6	E617 W652	E617-K650 PolarHBondContact OE1-N 3.05Å; K650-W652 PolarHBondContact O-N 3.29Å
651	P	91.5	Very high	88.9	Confident	108 Å²	108	77.6 Å²	77.6	70%	0.701	38%	0.378	S	S	*	.			trans	-59.2	129.7	179.4	-21.6	32.9	0	0	0	110.8	E617 L649	E617-P651 VanDerWaalsContact O-CA 3.26Å; E617-P651 WeakPolarHBondContact O-CA 3.48Å; L649-P651 WeakPolarHBondContact O-CD 3.49Å
652	W	92.6	Very high	89.5	Confident	111 Å²	111	79.5 Å²	79.5	42%	0.42	38%	0.382	S	S	.	.			trans	-142.9	110	175.5	-162.2	3.2	0	0	0	107.7	E617 K650 V657 E660 K661	E617-W652 PolarHBondContact O-N 3.36Å; K650-W652 PolarHBondContact O-N 3.29Å; W652-V657 HydrophobicContact CB-CG2 4.07Å; W652-V657 HydrophobicContact CD2-CG2 3.51Å; W652-V657 HydrophobicContact CE3-CG2 4.07Å; W652-V657 HydrophobicContact CG-CG2 3.49Å; W652-V657 VanDerWaalsContact CG-CG2 3.49Å; W652-E660 HydrophobicContact CZ2-CB 4.1Å; W652-E660 PolarHBondContact NE1-OE2 3.39Å; W652-K661 HydrophobicContact CH2-CB 4.09Å; W652-K661 HydrophobicContact CZ2-CB 4.28Å
653	S	95.1	Very high	90	Very high	46 Å²	46	77.6 Å²	77.6	32%	0.322	39%	0.39	S	S	.	.			trans	-68.6	152.8	-172.5	84	0	0	0	0	111.2	F655 D656 V657	S653-F655 PolarHBondContact O-N 2.75Å; S653-D656 WeakPolarHBondContact CB-OD2 3.34Å; S653-D656 PolarHBondContact O-N 3.48Å; S653-D656 VanDerWaalsContact O-N 3.14Å; S653-D656 PolarHBondContact OG-N 3.5Å; S653-D656 PolarHBondContact OG-OD2 2.95Å; S653-V657 WeakPolarHBondContact O-CG2 3.48Å; S653-V657 PolarHBondContact O-N 3.22Å
654	L	96.1	Very high	90.6	Very high	4 Å²	4	78.6 Å²	78.6	2%	0.021	39%	0.392	C	S	.	.	H	α-helix	trans	-54.6	-39.5	178	179.4	60.1	0	0	0	112.6	F582 L590 L618 L658 T673 L676 L677	F582-L654 HydrophobicContact CD2-CD1 3.89Å; F582-L654 HydrophobicContact CE2-CD1 3.79Å; L590-L654 HydrophobicContact CD1-CD1 4.25Å; L618-L654 HydrophobicContact CD1-CB 3.95Å; L618-L654 HydrophobicContact CD1-CD1 4.36Å; L618-L654 HydrophobicContact CG-CB 4.46Å; L654-L658 HydrophobicContact CD1-CD1 4.34Å; L654-L658 HydrophobicContact CD1-CG 4.46Å; L654-L658 HydrophobicContact CG-CD1 4.25Å; L654-L658 VanDerWaalsContact O-CG 3.29Å; L654-L658 WeakPolarHBondContact O-CG 3.49Å; L654-L658 PolarHBondContact O-N 2.77Å; L654-L658 VanDerWaalsContact O-N 3.11Å; L654-T673 HydrophobicContact CB-CG2 4.34Å; L654-T673 HydrophobicContact CD2-CG2 4.25Å; L654-T673 HydrophobicContact CG-CG2 4.41Å; L654-L676 HydrophobicContact CD2-CB 3.89Å; L654-L676 HydrophobicContact CD2-CD1 4.02Å; L654-L677 HydrophobicContact CD2-CD2 4.46Å
655	F	97.6	Very high	91.4	Very high	62 Å²	62	75 Å²	75	27%	0.272	39%	0.387	S	S	.	.	H	α-helix	trans	-64	-48.6	177.7	179.6	-94.4	0	0	0	111.9	S653 V657 L658 V659 H666 A669 T673	S653-F655 PolarHBondContact O-N 2.75Å; F655-V657 VanDerWaalsContact C-N 3.32Å; F655-V657 PolarHBondContact O-N 2.97Å; F655-L658 PolarHBondContact O-N 3.46Å; F655-V659 HydrophobicContact CD1-CG2 4.45Å; F655-V659 HydrophobicContact CE1-CG2 4.1Å; F655-V659 HydrophobicContact CE2-CG2 4.49Å; F655-V659 HydrophobicContact CZ-CG2 4.14Å; F655-V659 WeakPolarHBondContact O-CG2 3.23Å; F655-V659 PolarHBondContact O-N 3.44Å; F655-V659 VanDerWaalsContact O-N 3.1Å; F655-H666 AromaticContact CE1-ND1 3.71Å; F655-H666 WeakPolarHBondContact CE2-O 3.5Å; F655-H666 HydrophobicContact CZ-CB 4.26Å; F655-H666 AromaticContact CZ-ND1 3.38Å; F655-H666 WeakPolarHBondContact CZ-ND1 3.18Å; F655-A669 HydrophobicContact CD2-CB 4.01Å; F655-A669 HydrophobicContact CE2-CB 3.99Å; F655-T673 HydrophobicContact CB-CG2 4.29Å
656	D	96.9	Very high	92.4	Very high	62 Å²	62	75.6 Å²	75.6	33%	0.332	39%	0.39	S	S	.	.	H	α-helix	trans	-65.8	-38.2	-179	-58.7	-39	0	0	0	110.6	S653 L658 V659 E660	S653-D656 WeakPolarHBondContact CB-OD2 3.34Å; S653-D656 PolarHBondContact O-N 3.48Å; S653-D656 VanDerWaalsContact O-N 3.14Å; S653-D656 PolarHBondContact OG-N 3.5Å; S653-D656 PolarHBondContact OG-OD2 2.95Å; D656-L658 PolarHBondContact O-N 2.66Å; D656-V659 PolarHBondContact O-N 2.92Å; D656-E660 WeakPolarHBondContact O-CB 3.16Å; D656-E660 WeakPolarHBondContact O-CG 3.34Å; D656-E660 PolarHBondContact O-N 3.43Å
657	V	96.5	Very high	93.4	Very high	18 Å²	18	80.7 Å²	80.7	11%	0.109	41%	0.413	C	S	.	.	I	π-helix	trans	-58.2	-48.5	173.9	169.5	0	0	0	0	110.8	F582 W652 S653 F655 V659 K661 Y662	F582-V657 HydrophobicContact CZ-CG1 4.48Å; W652-V657 HydrophobicContact CB-CG2 4.07Å; W652-V657 HydrophobicContact CD2-CG2 3.51Å; W652-V657 HydrophobicContact CE3-CG2 4.07Å; W652-V657 HydrophobicContact CG-CG2 3.49Å; W652-V657 VanDerWaalsContact CG-CG2 3.49Å; S653-V657 WeakPolarHBondContact O-CG2 3.48Å; S653-V657 PolarHBondContact O-N 3.22Å; F655-V657 VanDerWaalsContact C-N 3.32Å; F655-V657 PolarHBondContact O-N 2.97Å; V657-V659 VanDerWaalsContact C-N 3.35Å; V657-V659 PolarHBondContact O-N 3Å; V657-K661 HydrophobicContact CG1-CB 4.5Å; V657-K661 WeakPolarHBondContact O-CA 3.34Å; V657-K661 WeakPolarHBondContact O-CB 3.29Å; V657-K661 PolarHBondContact O-N 3.07Å; V657-Y662 HydrophobicContact CG1-CD2 4.11Å; V657-Y662 HydrophobicContact CG1-CE2 3.71Å; V657-Y662 WeakPolarHBondContact O-CD2 3.32Å; V657-Y662 PolarHBondContact O-N 2.98Å
658	L	97.8	Very high	94.6	Very high	0 Å²	0	78 Å²	78	0%	0	39%	0.394	C	S	.	.	I	π-helix	trans	-61.9	-41.2	-179.7	-70.2	166.9	0	0	0	112.2	F582 T586 L654 F655 D656 Y662 G663 W664 A669 F672	F582-L658 HydrophobicContact CD2-CD2 4.44Å; F582-L658 HydrophobicContact CE2-CD2 3.96Å; T586-L658 HydrophobicContact CG2-CD2 4.09Å; L654-L658 HydrophobicContact CD1-CD1 4.34Å; L654-L658 HydrophobicContact CD1-CG 4.46Å; L654-L658 HydrophobicContact CG-CD1 4.25Å; L654-L658 VanDerWaalsContact O-CG 3.29Å; L654-L658 WeakPolarHBondContact O-CG 3.49Å; L654-L658 PolarHBondContact O-N 2.77Å; L654-L658 VanDerWaalsContact O-N 3.11Å; F655-L658 PolarHBondContact O-N 3.46Å; D656-L658 PolarHBondContact O-N 2.66Å; L658-Y662 HydrophobicContact CD2-CD2 4.5Å; L658-Y662 CarbonylContact O-C 3.56Å; L658-Y662 WeakPolarHBondContact O-CB 3.39Å; L658-Y662 PolarHBondContact O-N 3.1Å; L658-G663 PolarHBondContact O-N 2.71Å; L658-W664 HydrophobicContact CB-CB 4.42Å; L658-W664 HydrophobicContact CB-CG 4.45Å; L658-W664 HydrophobicContact CD2-CD2 4.11Å; L658-W664 HydrophobicContact CD2-CE3 4.25Å; L658-W664 HydrophobicContact CD2-CH2 4.24Å; L658-W664 HydrophobicContact CD2-CZ2 4.17Å; L658-W664 HydrophobicContact CD2-CZ3 4.32Å; L658-W664 WeakPolarHBondContact O-CB 3.39Å; L658-W664 PolarHBondContact O-N 2.93Å; L658-A669 HydrophobicContact CB-CB 3.8Å; L658-A669 HydrophobicContact CD1-CB 4.29Å; L658-F672 HydrophobicContact CD1-CD1 3.83Å; L658-F672 HydrophobicContact CD2-CD1 4.23Å
659	V	97.6	Very high	95.4	Very high	30 Å²	30	69.1 Å²	69.1	18%	0.182	36%	0.356	C	S	.	.	I	π-helix	trans	-76.9	-50.5	-178.9	176.5	0	0	0	0	111.8	F655 D656 V657 G663 A669	F655-V659 HydrophobicContact CD1-CG2 4.45Å; F655-V659 HydrophobicContact CE1-CG2 4.1Å; F655-V659 HydrophobicContact CE2-CG2 4.49Å; F655-V659 HydrophobicContact CZ-CG2 4.14Å; F655-V659 WeakPolarHBondContact O-CG2 3.23Å; F655-V659 PolarHBondContact O-N 3.44Å; F655-V659 VanDerWaalsContact O-N 3.1Å; D656-V659 PolarHBondContact O-N 2.92Å; V657-V659 VanDerWaalsContact C-N 3.35Å; V657-V659 PolarHBondContact O-N 3Å; V659-G663 VanDerWaalsContact O-CA 3.23Å; V659-G663 WeakPolarHBondContact O-CA 3.44Å; V659-G663 PolarHBondContact O-N 2.92Å; V659-G663 VanDerWaalsContact O-N 3.14Å; V659-A669 HydrophobicContact CG2-CB 3.69Å
660	E	96.9	Very high	96	Very high	133 Å²	133	67.6 Å²	67.6	62%	0.621	35%	0.353	S	S	*	.	I	π-helix	trans	-81.1	-40.3	-170.5	-62.1	178.7	166.2	0	0	112.9	W652 D656	W652-E660 HydrophobicContact CZ2-CB 4.1Å; W652-E660 PolarHBondContact NE1-OE2 3.39Å; D656-E660 WeakPolarHBondContact O-CB 3.16Å; D656-E660 WeakPolarHBondContact O-CG 3.34Å; D656-E660 PolarHBondContact O-N 3.43Å
661	K	96.4	Very high	96.5	Very high	113 Å²	113	63 Å²	63	49%	0.491	34%	0.335	S	S	.	.	I	π-helix	trans	-86	-46.1	-179.5	-175.9	-176	168.4	-164.2	0	111.7	D588 W652 V657	D588-K661 IonicContact OD2-NZ 3.4Å; D588-K661 PolarHBondContact OD2-NZ 2.95Å; W652-K661 HydrophobicContact CH2-CB 4.09Å; W652-K661 HydrophobicContact CZ2-CB 4.28Å; V657-K661 HydrophobicContact CG1-CB 4.5Å; V657-K661 WeakPolarHBondContact O-CA 3.34Å; V657-K661 WeakPolarHBondContact O-CB 3.29Å; V657-K661 PolarHBondContact O-N 3.07Å
662	Y	96.8	Very high	96.8	Very high	52 Å²	52	57.9 Å²	57.9	20%	0.204	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-3.7	-173.1	-60.1	-81.6	0	0	0	113.9	F582 T586 D588 V657 L658 W664	F582-Y662 HydrophobicContact CE2-CE2 4.48Å; F582-Y662 AromaticContact CZ-CE2 3.77Å; F582-Y662 HydrophobicContact CZ-CE2 3.77Å; T586-Y662 HydrophobicContact CG2-CD1 4.18Å; T586-Y662 HydrophobicContact CG2-CD2 4.24Å; T586-Y662 HydrophobicContact CG2-CE1 4.16Å; T586-Y662 HydrophobicContact CG2-CE2 4.19Å; T586-Y662 HydrophobicContact CG2-CG 4.22Å; D588-Y662 HydrophobicContact CB-CE1 4.46Å; D588-Y662 VanDerWaalsContact CB-OH 3.23Å; D588-Y662 WeakPolarHBondContact CB-OH 3.49Å; D588-Y662 WeakPolarHBondContact OD2-CE1 3.43Å; D588-Y662 PolarHBondContact OD2-OH 2.88Å; V657-Y662 HydrophobicContact CG1-CD2 4.11Å; V657-Y662 HydrophobicContact CG1-CE2 3.71Å; V657-Y662 WeakPolarHBondContact O-CD2 3.32Å; V657-Y662 PolarHBondContact O-N 2.98Å; L658-Y662 HydrophobicContact CD2-CD2 4.5Å; L658-Y662 CarbonylContact O-C 3.56Å; L658-Y662 WeakPolarHBondContact O-CB 3.39Å; L658-Y662 PolarHBondContact O-N 3.1Å; Y662-W664 PolarHBondContact O-N 2.98Å
663	G	96.8	Very high	97.1	Very high	63 Å²	63	53.3 Å²	53.3	65%	0.649	29%	0.286	S	S	*	.			trans	67.1	23.2	176.1	0	0	0	0	0	114.1	L658 V659	L658-G663 PolarHBondContact O-N 2.71Å; V659-G663 VanDerWaalsContact O-CA 3.23Å; V659-G663 WeakPolarHBondContact O-CA 3.44Å; V659-G663 PolarHBondContact O-N 2.92Å; V659-G663 VanDerWaalsContact O-N 3.14Å
664	W	97.9	Very high	97.2	Very high	39 Å²	39	56.9 Å²	56.9	15%	0.148	30%	0.297	C	S	.	.			trans	-67.2	153.1	179.9	-77.2	33.4	0	0	0	111.8	L186 A585 T586 L658 Y662 D668 A669 F672	L186-W664 HydrophobicContact CD1-CE3 4.48Å; L186-W664 HydrophobicContact CD1-CH2 4.2Å; L186-W664 HydrophobicContact CD1-CZ3 4.03Å; L186-W664 HydrophobicContact CD2-CH2 3.39Å; L186-W664 HydrophobicContact CD2-CZ2 3.91Å; L186-W664 HydrophobicContact CD2-CZ3 3.98Å; L186-W664 HydrophobicContact CG-CH2 4.35Å; A585-W664 HydrophobicContact CB-CH2 3.76Å; A585-W664 HydrophobicContact CB-CZ2 3.79Å; T586-W664 HydrophobicContact CG2-CZ2 4.25Å; L658-W664 HydrophobicContact CB-CB 4.42Å; L658-W664 HydrophobicContact CB-CG 4.45Å; L658-W664 HydrophobicContact CD2-CD2 4.11Å; L658-W664 HydrophobicContact CD2-CE3 4.25Å; L658-W664 HydrophobicContact CD2-CH2 4.24Å; L658-W664 HydrophobicContact CD2-CZ2 4.17Å; L658-W664 HydrophobicContact CD2-CZ3 4.32Å; L658-W664 WeakPolarHBondContact O-CB 3.39Å; L658-W664 PolarHBondContact O-N 2.93Å; Y662-W664 PolarHBondContact O-N 2.98Å; W664-D668 HydrophobicContact CE3-CB 3.94Å; W664-D668 HydrophobicContact CZ3-CB 4.46Å; W664-A669 HydrophobicContact CB-CB 4.18Å; W664-F672 AromaticContact CH2-CD1 3.56Å; W664-F672 HydrophobicContact CH2-CD1 3.56Å; W664-F672 AromaticContact CH2-CE1 3.86Å; W664-F672 HydrophobicContact CH2-CE1 3.86Å; W664-F672 HydrophobicContact CH2-CG 4.14Å; W664-F672 HydrophobicContact CZ3-CB 3.83Å; W664-F672 AromaticContact CZ3-CD1 3.59Å; W664-F672 HydrophobicContact CZ3-CD1 3.59Å; W664-F672 HydrophobicContact CZ3-CE1 4.36Å; W664-F672 AromaticContact CZ3-CG 3.9Å; W664-F672 HydrophobicContact CZ3-CG 3.9Å
665	S	97.9	Very high	97.3	Very high	54 Å²	54	56.9 Å²	56.9	38%	0.378	30%	0.297	S	S	.	.			trans	-62	144.9	168.9	84.2	0	0	0	0	109.9	E667 D668 A669	S665-E667 PolarHBondContact O-N 3.41Å; S665-E667 VanDerWaalsContact O-N 3.16Å; S665-D668 PolarHBondContact O-N 3.24Å; S665-D668 WeakPolarHBondContact OG-CB 3.46Å; S665-D668 VanDerWaalsContact OG-CG 3.23Å; S665-D668 PolarHBondContact OG-N 2.93Å; S665-D668 PolarHBondContact OG-OD2 3.02Å; S665-A669 VanDerWaalsContact O-CB 3.29Å; S665-A669 WeakPolarHBondContact O-CB 3.34Å; S665-A669 PolarHBondContact O-N 2.74Å
666	H	96.8	Very high	97.4	Very high	128 Å²	128	53.9 Å²	53.9	59%	0.593	28%	0.284	S	S	*	.	H	α-helix	trans	-57.7	-29.7	176.4	-76.2	-80.9	0	0	0	112.6	F655 G670	F655-H666 AromaticContact CE1-ND1 3.71Å; F655-H666 WeakPolarHBondContact CE2-O 3.5Å; F655-H666 HydrophobicContact CZ-CB 4.26Å; F655-H666 AromaticContact CZ-ND1 3.38Å; F655-H666 WeakPolarHBondContact CZ-ND1 3.18Å; H666-G670 PolarHBondContact O-N 3.01Å
667	E	96.4	Very high	97.4	Very high	135 Å²	135	54.6 Å²	54.6	63%	0.631	29%	0.287	S	S	*	.	H	α-helix	trans	-70.7	-52.1	178.4	-175.2	173.1	-178.5	0	0	111.4	S665 A669 G670 H671	S665-E667 PolarHBondContact O-N 3.41Å; S665-E667 VanDerWaalsContact O-N 3.16Å; E667-A669 PolarHBondContact O-N 3.49Å; E667-G670 PolarHBondContact O-N 2.87Å; E667-H671 WeakPolarHBondContact CG-CE1 3.16Å; E667-H671 PolarHBondContact O-N 3.44Å; E667-H671 PolarHBondContact O-ND1 3.12Å; E667-H671 IonicContact OE1-CE1 2.82Å
668	D	95.9	Very high	97.5	Very high	67 Å²	67	56.4 Å²	56.4	36%	0.358	30%	0.299	S	S	.	.	H	α-helix	trans	-64.3	-43.6	179.1	-65.4	-47.2	0	0	0	111.5	L186 W664 S665 G670 H671 F672	L186-D668 HydrophobicContact CD1-CB 4.21Å; W664-D668 HydrophobicContact CE3-CB 3.94Å; W664-D668 HydrophobicContact CZ3-CB 4.46Å; S665-D668 PolarHBondContact O-N 3.24Å; S665-D668 WeakPolarHBondContact OG-CB 3.46Å; S665-D668 VanDerWaalsContact OG-CG 3.23Å; S665-D668 PolarHBondContact OG-N 2.93Å; S665-D668 PolarHBondContact OG-OD2 3.02Å; D668-G670 VanDerWaalsContact C-N 3.3Å; D668-G670 PolarHBondContact O-N 3.16Å; D668-H671 PolarHBondContact O-N 3.41Å; D668-F672 VanDerWaalsContact O-CB 3.26Å; D668-F672 WeakPolarHBondContact O-CB 3.22Å; D668-F672 PolarHBondContact O-N 3.5Å
669	A	97.7	Very high	97.6	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-61.1	-41	176.2	0	0	0	0	0	111.4	F655 L658 V659 W664 S665 E667 T673	F655-A669 HydrophobicContact CD2-CB 4.01Å; F655-A669 HydrophobicContact CE2-CB 3.99Å; L658-A669 HydrophobicContact CB-CB 3.8Å; L658-A669 HydrophobicContact CD1-CB 4.29Å; V659-A669 HydrophobicContact CG2-CB 3.69Å; W664-A669 HydrophobicContact CB-CB 4.18Å; S665-A669 VanDerWaalsContact O-CB 3.29Å; S665-A669 WeakPolarHBondContact O-CB 3.34Å; S665-A669 PolarHBondContact O-N 2.74Å; E667-A669 PolarHBondContact O-N 3.49Å; A669-T673 WeakPolarHBondContact O-CB 3.37Å; A669-T673 PolarHBondContact O-N 2.89Å; A669-T673 PolarHBondContact O-OG1 2.62Å
670	G	97.6	Very high	97.6	Very high	24 Å²	24	55.1 Å²	55.1	25%	0.247	29%	0.291	C	S	.	.	H	α-helix	trans	-63.6	-51	177.4	0	0	0	0	0	112.3	H666 E667 D668 F672 T673 Q674	H666-G670 PolarHBondContact O-N 3.01Å; E667-G670 PolarHBondContact O-N 2.87Å; D668-G670 VanDerWaalsContact C-N 3.3Å; D668-G670 PolarHBondContact O-N 3.16Å; G670-F672 PolarHBondContact O-N 3.36Å; G670-T673 PolarHBondContact O-N 3.23Å; G670-Q674 WeakPolarHBondContact O-CB 3.37Å; G670-Q674 PolarHBondContact O-N 3.11Å
671	H	97.4	Very high	97.7	Very high	75 Å²	75	52.1 Å²	52.1	35%	0.347	28%	0.277	S	S	.	.	H	α-helix	trans	-64.6	-39.8	179.9	-63.9	147.1	0	0	0	112.5	E667 D668 F675	E667-H671 WeakPolarHBondContact CG-CE1 3.16Å; E667-H671 PolarHBondContact O-N 3.44Å; E667-H671 PolarHBondContact O-ND1 3.12Å; E667-H671 IonicContact OE1-CE1 2.82Å; D668-H671 PolarHBondContact O-N 3.41Å; H671-F675 PolarHBondContact O-N 2.77Å
672	F	98.2	Very high	97.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-70.6	-41	178.6	-169.3	-133	0	0	0	112.1	A581 F582 A585 L658 W664 D668 G670 Q674 F675 L676 W698	A581-F672 HydrophobicContact CB-CE2 4.47Å; A581-F672 HydrophobicContact CB-CZ 4.41Å; F582-F672 HydrophobicContact CD2-CE1 4.38Å; A585-F672 HydrophobicContact CB-CE1 4.09Å; A585-F672 HydrophobicContact CB-CZ 3.98Å; L658-F672 HydrophobicContact CD1-CD1 3.83Å; L658-F672 HydrophobicContact CD2-CD1 4.23Å; W664-F672 AromaticContact CH2-CD1 3.56Å; W664-F672 HydrophobicContact CH2-CD1 3.56Å; W664-F672 AromaticContact CH2-CE1 3.86Å; W664-F672 HydrophobicContact CH2-CE1 3.86Å; W664-F672 HydrophobicContact CH2-CG 4.14Å; W664-F672 HydrophobicContact CZ3-CB 3.83Å; W664-F672 AromaticContact CZ3-CD1 3.59Å; W664-F672 HydrophobicContact CZ3-CD1 3.59Å; W664-F672 HydrophobicContact CZ3-CE1 4.36Å; W664-F672 AromaticContact CZ3-CG 3.9Å; W664-F672 HydrophobicContact CZ3-CG 3.9Å; D668-F672 VanDerWaalsContact O-CB 3.26Å; D668-F672 WeakPolarHBondContact O-CB 3.22Å; D668-F672 PolarHBondContact O-N 3.5Å; G670-F672 PolarHBondContact O-N 3.36Å; F672-Q674 VanDerWaalsContact C-N 3.34Å; F672-Q674 PolarHBondContact O-N 3.24Å; F672-F675 HydrophobicContact CD2-CD1 4.44Å; F672-F675 HydrophobicContact CE2-CD1 4.49Å; F672-F675 WeakPolarHBondContact O-CB 3.49Å; F672-F675 PolarHBondContact O-N 3.25Å; F672-L676 HydrophobicContact CD1-CD1 4Å; F672-L676 HydrophobicContact CD2-CD1 4.36Å; F672-L676 HydrophobicContact CD2-CG 4.24Å; F672-L676 HydrophobicContact CE1-CD1 3.54Å; F672-L676 HydrophobicContact CE1-CG 4.4Å; F672-L676 HydrophobicContact CE2-CD1 3.95Å; F672-L676 HydrophobicContact CE2-CD2 4.16Å; F672-L676 HydrophobicContact CE2-CG 3.98Å; F672-L676 HydrophobicContact CG-CD1 4.4Å; F672-L676 HydrophobicContact CZ-CD1 3.52Å; F672-L676 HydrophobicContact CZ-CD2 4.33Å; F672-L676 HydrophobicContact CZ-CG 4.08Å; F672-L676 PolarHBondContact O-N 2.88Å; F672-W698 HydrophobicContact CD2-CD2 4.33Å; F672-W698 AromaticContact CD2-CE2 3.55Å; F672-W698 AromaticContact CD2-CH2 3.94Å; F672-W698 HydrophobicContact CD2-CH2 3.94Å; F672-W698 AromaticContact CD2-CZ2 3.33Å; F672-W698 HydrophobicContact CD2-CZ2 3.33Å; F672-W698 AromaticContact CD2-NE1 3.83Å; F672-W698 AromaticContact CE2-CH2 3.73Å; F672-W698 HydrophobicContact CE2-CH2 3.73Å; F672-W698 AromaticContact CE2-CZ2 3.55Å; F672-W698 HydrophobicContact CE2-CZ2 3.55Å; F672-W698 HydrophobicContact CG-CZ2 4.41Å
673	T	98.1	Very high	97.6	Very high	15 Å²	15	45.1 Å²	45.1	9%	0.092	25%	0.249	C	C	.	.	H	α-helix	trans	-60.2	-44.6	173.7	-61.9	0	0	0	0	111.1	L654 F655 A669 G670 F675 L676 L677	L654-T673 HydrophobicContact CB-CG2 4.34Å; L654-T673 HydrophobicContact CD2-CG2 4.25Å; L654-T673 HydrophobicContact CG-CG2 4.41Å; F655-T673 HydrophobicContact CB-CG2 4.29Å; A669-T673 WeakPolarHBondContact O-CB 3.37Å; A669-T673 PolarHBondContact O-N 2.89Å; A669-T673 PolarHBondContact O-OG1 2.62Å; G670-T673 PolarHBondContact O-N 3.23Å; T673-F675 PolarHBondContact O-N 2.62Å; T673-L676 PolarHBondContact O-N 3.36Å; T673-L677 HydrophobicContact CG2-CD1 3.6Å; T673-L677 HydrophobicContact CG2-CG 3.89Å; T673-L677 VanDerWaalsContact O-CG 3.32Å; T673-L677 WeakPolarHBondContact O-CG 3.49Å; T673-L677 PolarHBondContact O-N 2.78Å
674	Q	97.8	Very high	97.7	Very high	121 Å²	121	42.8 Å²	42.8	57%	0.565	22%	0.222	S	C	*	.	H	α-helix	trans	-61.3	-33	178	-172	179.4	1.8	0	0	112.4	G670 F672 P678	G670-Q674 WeakPolarHBondContact O-CB 3.37Å; G670-Q674 PolarHBondContact O-N 3.11Å; F672-Q674 VanDerWaalsContact C-N 3.34Å; F672-Q674 PolarHBondContact O-N 3.24Å; Q674-P678 WeakPolarHBondContact O-CD 3.26Å
675	F	98.4	Very high	97.6	Very high	3 Å²	3	48.5 Å²	48.5	1%	0.013	25%	0.251	C	S	.	.	H	α-helix	trans	-74.2	-43.9	176	176.6	-113.1	0	0	0	113	I193 L197 H671 F672 T673 M679 C693 H696 W698 L699	I193-F675 HydrophobicContact CG2-CE1 3.99Å; I193-F675 HydrophobicContact CG2-CZ 3.9Å; L197-F675 HydrophobicContact CD1-CE2 4.47Å; L197-F675 HydrophobicContact CD1-CZ 3.97Å; H671-F675 PolarHBondContact O-N 2.77Å; F672-F675 HydrophobicContact CD2-CD1 4.44Å; F672-F675 HydrophobicContact CE2-CD1 4.49Å; F672-F675 WeakPolarHBondContact O-CB 3.49Å; F672-F675 PolarHBondContact O-N 3.25Å; T673-F675 PolarHBondContact O-N 2.62Å; F675-M679 HydrophobicContact CD1-SD 4.41Å; F675-M679 HydrophobicContact CE1-SD 3.88Å; F675-M679 HydrophobicContact CE2-SD 4.26Å; F675-M679 HydrophobicContact CZ-SD 3.81Å; F675-C693 HydrophobicContact CE2-CB 4.29Å; F675-H696 HydrophobicContact CD2-CB 3.78Å; F675-H696 AromaticContact CD2-CG 3.64Å; F675-H696 AromaticContact CD2-ND1 3.48Å; F675-H696 WeakPolarHBondContact CD2-ND1 3.38Å; F675-H696 HydrophobicContact CE2-CB 4.1Å; F675-W698 HydrophobicContact CB-CB 3.9Å; F675-W698 HydrophobicContact CB-CD2 4.16Å; F675-W698 HydrophobicContact CB-CE3 4.29Å; F675-W698 HydrophobicContact CB-CG 3.99Å; F675-W698 AromaticContact CD1-CD2 3.9Å; F675-W698 HydrophobicContact CD1-CD2 3.9Å; F675-W698 AromaticContact CD1-CE3 3.3Å; F675-W698 HydrophobicContact CD1-CE3 3.3Å; F675-W698 HydrophobicContact CD1-CH2 4.34Å; F675-W698 AromaticContact CD1-CZ3 3.56Å; F675-W698 HydrophobicContact CD1-CZ3 3.56Å; F675-W698 HydrophobicContact CD2-CB 4.37Å; F675-W698 HydrophobicContact CD2-CE3 4.02Å; F675-W698 HydrophobicContact CE1-CD2 4.47Å; F675-W698 AromaticContact CE1-CE3 3.46Å; F675-W698 HydrophobicContact CE1-CE3 3.46Å; F675-W698 VanDerWaalsContact CE1-CE3 3.46Å; F675-W698 HydrophobicContact CE1-CH2 4.31Å; F675-W698 AromaticContact CE1-CZ3 3.36Å; F675-W698 HydrophobicContact CE1-CZ3 3.36Å; F675-W698 HydrophobicContact CE2-CE3 4.14Å; F675-W698 HydrophobicContact CG-CB 4.18Å; F675-W698 AromaticContact CG-CD2 3.98Å; F675-W698 HydrophobicContact CG-CD2 3.98Å; F675-W698 AromaticContact CG-CE3 3.6Å; F675-W698 HydrophobicContact CG-CE3 3.6Å; F675-W698 HydrophobicContact CG-CG 4.23Å; F675-W698 HydrophobicContact CG-CZ3 4.31Å; F675-W698 AromaticContact CZ-CE3 3.87Å; F675-W698 HydrophobicContact CZ-CE3 3.87Å; F675-W698 AromaticContact CZ-CZ3 3.95Å; F675-W698 HydrophobicContact CZ-CZ3 3.95Å; F675-L699 HydrophobicContact CE2-CD1 4.04Å; F675-L699 HydrophobicContact CE2-CD2 4.32Å; F675-L699 HydrophobicContact CE2-CG 3.94Å; F675-L699 HydrophobicContact CZ-CD1 4.25Å; F675-L699 HydrophobicContact CZ-CD2 3.98Å; F675-L699 HydrophobicContact CZ-CG 4.1Å
676	L	98.5	Very high	97.6	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-77.8	-35.5	-174.7	-69.6	-175.2	0	0	0	114.1	A578 A581 F582 L654 F672 T673 M679 L680	A578-L676 HydrophobicContact CB-CD2 4.07Å; A581-L676 HydrophobicContact CB-CD2 3.92Å; F582-L676 HydrophobicContact CB-CD1 4.25Å; L654-L676 HydrophobicContact CD2-CB 3.89Å; L654-L676 HydrophobicContact CD2-CD1 4.02Å; F672-L676 HydrophobicContact CD1-CD1 4Å; F672-L676 HydrophobicContact CD2-CD1 4.36Å; F672-L676 HydrophobicContact CD2-CG 4.24Å; F672-L676 HydrophobicContact CE1-CD1 3.54Å; F672-L676 HydrophobicContact CE1-CG 4.4Å; F672-L676 HydrophobicContact CE2-CD1 3.95Å; F672-L676 HydrophobicContact CE2-CD2 4.16Å; F672-L676 HydrophobicContact CE2-CG 3.98Å; F672-L676 HydrophobicContact CG-CD1 4.4Å; F672-L676 HydrophobicContact CZ-CD1 3.52Å; F672-L676 HydrophobicContact CZ-CD2 4.33Å; F672-L676 HydrophobicContact CZ-CG 4.08Å; F672-L676 PolarHBondContact O-N 2.88Å; T673-L676 PolarHBondContact O-N 3.36Å; L676-M679 HydrophobicContact CD2-SD 4.43Å; L676-M679 CarbonylContact O-C 3.59Å; L676-M679 WeakPolarHBondContact O-CA 3.23Å; L676-M679 WeakPolarHBondContact O-CB 3.49Å; L676-M679 PolarHBondContact O-N 3.43Å; L676-L680 HydrophobicContact CB-CD1 4.34Å; L676-L680 PolarHBondContact O-N 3.25Å
677	L	98.2	Very high	97.7	Very high	76 Å²	76	47.2 Å²	47.2	40%	0.398	24%	0.236	S	C	.	.	H	α-helix	trans	-58.2	-43.6	-174.9	-73.2	177.9	0	0	0	113.9	L619 L654 T673 M679 L680 E681	L619-L677 HydrophobicContact CD2-CD2 3.8Å; L654-L677 HydrophobicContact CD2-CD2 4.46Å; T673-L677 HydrophobicContact CG2-CD1 3.6Å; T673-L677 HydrophobicContact CG2-CG 3.89Å; T673-L677 VanDerWaalsContact O-CG 3.32Å; T673-L677 WeakPolarHBondContact O-CG 3.49Å; T673-L677 PolarHBondContact O-N 2.78Å; L677-M679 PolarHBondContact O-N 3.25Å; L677-L680 CarbonylContact O-C 3.57Å; L677-L680 PolarHBondContact O-N 3.27Å; L677-L680 VanDerWaalsContact O-N 3.09Å; L677-E681 PolarHBondContact O-N 3Å
678	P	98.5	Very high	97.8	Very high	57 Å²	57	41.4 Å²	41.4	37%	0.37	21%	0.211	S	C	.	.	H	α-helix	trans	-61.5	-29.5	173.7	-24.4	35	0	0	0	114.2	Q674 A688	Q674-P678 WeakPolarHBondContact O-CD 3.26Å; P678-A688 HydrophobicContact CB-CB 3.88Å; P678-A688 PolarHBondContact O-N 3.45Å
679	M	98.8	Very high	97.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-78.5	-22	175.9	-60.4	175.4	66.5	0	0	112.4	L197 I574 T577 A578 F675 L676 L677 R687 C693	L197-M679 HydrophobicContact CD2-CE 4.25Å; I574-M679 HydrophobicContact CG2-CB 3.74Å; I574-M679 HydrophobicContact CG2-CE 3.93Å; I574-M679 HydrophobicContact CG2-CG 3.82Å; T577-M679 HydrophobicContact CG2-CE 3.82Å; A578-M679 HydrophobicContact CB-CB 3.72Å; A578-M679 HydrophobicContact CB-CE 4.09Å; A578-M679 HydrophobicContact CB-SD 4.5Å; F675-M679 HydrophobicContact CD1-SD 4.41Å; F675-M679 HydrophobicContact CE1-SD 3.88Å; F675-M679 HydrophobicContact CE2-SD 4.26Å; F675-M679 HydrophobicContact CZ-SD 3.81Å; L676-M679 HydrophobicContact CD2-SD 4.43Å; L676-M679 CarbonylContact O-C 3.59Å; L676-M679 WeakPolarHBondContact O-CA 3.23Å; L676-M679 WeakPolarHBondContact O-CB 3.49Å; L676-M679 PolarHBondContact O-N 3.43Å; L677-M679 PolarHBondContact O-N 3.25Å; M679-R687 WeakPolarHBondContact O-CD 3.46Å; M679-R687 VanDerWaalsContact O-CG 3.3Å; M679-R687 WeakPolarHBondContact O-CG 3.47Å; M679-C693 WeakPolarHBondContact CG-SG 3.49Å
680	L	98.6	Very high	97.9	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.01	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	11.2	178	-67.5	171.7	0	0	0	112.9	W575 A578 L590 F591 L619 L676 L677 M682	W575-L680 HydrophobicContact CD2-CD2 4.07Å; W575-L680 HydrophobicContact CE3-CD2 4.1Å; W575-L680 HydrophobicContact CH2-CD2 4.41Å; W575-L680 HydrophobicContact CZ2-CD2 4.38Å; W575-L680 HydrophobicContact CZ3-CB 4.48Å; W575-L680 HydrophobicContact CZ3-CD2 4.28Å; W575-L680 WeakPolarHBondContact CZ3-O 3.42Å; A578-L680 HydrophobicContact CB-CD2 3.73Å; A578-L680 HydrophobicContact CB-CG 3.85Å; L590-L680 HydrophobicContact CD2-CD1 3.86Å; L590-L680 HydrophobicContact CD2-CD2 4.08Å; F591-L680 HydrophobicContact CE2-CD2 4.41Å; L619-L680 HydrophobicContact CD1-CB 3.9Å; L619-L680 WeakPolarHBondContact CD1-O 3.32Å; L619-L680 HydrophobicContact CD2-CB 4.14Å; L619-L680 HydrophobicContact CD2-CD1 4.24Å; L676-L680 HydrophobicContact CB-CD1 4.34Å; L676-L680 PolarHBondContact O-N 3.25Å; L677-L680 CarbonylContact O-C 3.57Å; L677-L680 PolarHBondContact O-N 3.27Å; L677-L680 VanDerWaalsContact O-N 3.09Å; L680-M682 PolarHBondContact O-N 3.5Å
681	E	98.1	Very high	97.9	Very high	70 Å²	70	40.5 Å²	40.5	33%	0.327	21%	0.209	S	C	.	.			trans	-57.4	125.6	174.9	-179.6	59.6	-140.5	0	0	110	L677 V683 K686 R687	L677-E681 PolarHBondContact O-N 3Å; E681-V683 VanDerWaalsContact C-N 3.33Å; E681-V683 PolarHBondContact O-N 2.94Å; E681-K686 HydrophobicContact CG-CB 3.65Å; E681-R687 HydrophobicContact CB-CB 4.1Å; E681-R687 HydrophobicContact CB-CG 4.35Å; E681-R687 PolarHBondContact O-NE 3.26Å; E681-R687 PolarHBondContact O-NH2 3.11Å
682	M	95.7	Very high	97.9	Very high	12 Å²	12	42.6 Å²	42.6	6%	0.059	22%	0.219	C	C	.	.	S	Bend	trans	-69.2	-32.7	-170.2	-63	174.1	-165.3	0	0	112.6	I560 I615 L619 G620 I622 F626 L680 P684	I560-M682 HydrophobicContact CG2-CB 4.3Å; I560-M682 WeakPolarHBondContact CG2-O 3.32Å; I615-M682 HydrophobicContact CG2-CE 4.33Å; L619-M682 HydrophobicContact CB-CE 3.33Å; L619-M682 HydrophobicContact CD1-CE 4.3Å; L619-M682 HydrophobicContact CG-CE 4.46Å; G620-M682 VanDerWaalsContact O-CE 3.31Å; G620-M682 WeakPolarHBondContact O-CE 3.39Å; I622-M682 VanDerWaalsContact CA-SD 3.6Å; I622-M682 HydrophobicContact CB-SD 3.95Å; I622-M682 HydrophobicContact CG1-CE 4.34Å; I622-M682 HydrophobicContact CG1-SD 3.51Å; I622-M682 VanDerWaalsContact CG1-SD 3.51Å; I622-M682 HydrophobicContact CG2-SD 4.18Å; F626-M682 HydrophobicContact CE1-CB 4.5Å; F626-M682 WeakPolarHBondContact CE1-O 3.45Å; F626-M682 VanDerWaalsContact CZ-O 3.27Å; F626-M682 WeakPolarHBondContact CZ-O 3.36Å; L680-M682 PolarHBondContact O-N 3.5Å; M682-P684 WeakPolarHBondContact O-CD 3.26Å
683	V	96.9	Very high	97.9	Very high	7 Å²	7	42.9 Å²	42.9	4%	0.042	22%	0.221	C	C	.	.	S	Bend	trans	-84.9	111.9	178.3	178.9	0	0	0	0	108.4	P623 F626 E681 E685 K686 R687	P623-V683 HydrophobicContact CG-CG2 4.07Å; F626-V683 HydrophobicContact CB-CG2 4.14Å; F626-V683 HydrophobicContact CG-CG2 4.22Å; E681-V683 VanDerWaalsContact C-N 3.33Å; E681-V683 PolarHBondContact O-N 2.94Å; V683-E685 WeakPolarHBondContact CG1-OE2 3.46Å; V683-E685 PolarHBondContact O-N 3.3Å; V683-E685 VanDerWaalsContact O-N 3.11Å; V683-K686 HydrophobicContact CB-CB 4.47Å; V683-K686 HydrophobicContact CB-CD 4.33Å; V683-K686 HydrophobicContact CB-CG 4.44Å; V683-K686 HydrophobicContact CG1-CD 4.43Å; V683-K686 HydrophobicContact CG1-CG 4.26Å; V683-K686 PolarHBondContact O-N 3.05Å; V683-R687 PolarHBondContact O-N 3.46Å
684	P	97.4	Very high	97.9	Very high	13 Å²	13	44.1 Å²	44.1	8%	0.084	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-55.9	-35.1	-171.2	-28	36.9	0	0	0	113.8	E561 P571 F626 M682 K686 R687	E561-P684 HydrophobicContact CB-CG 3.83Å; E561-P684 HydrophobicContact CG-CG 3.91Å; P571-P684 HydrophobicContact CB-CB 4.04Å; P571-P684 HydrophobicContact CG-CB 4.13Å; P571-P684 WeakPolarHBondContact CG-O 3.5Å; F626-P684 HydrophobicContact CE2-CG 4.21Å; F626-P684 HydrophobicContact CZ-CG 4.3Å; M682-P684 WeakPolarHBondContact O-CD 3.26Å; P684-K686 PolarHBondContact O-N 2.73Å; P684-R687 WeakPolarHBondContact O-CB 3.41Å; P684-R687 PolarHBondContact O-N 3.1Å
685	E	96.6	Very high	97.9	Very high	160 Å²	160	45 Å²	45	75%	0.748	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-69.9	-15.4	-179.2	-58.8	78.2	-170.1	0	0	113.9	V683	V683-E685 WeakPolarHBondContact CG1-OE2 3.46Å; V683-E685 PolarHBondContact O-N 3.3Å; V683-E685 VanDerWaalsContact O-N 3.11Å
686	K	97.6	Very high	97.8	Very high	143 Å²	143	46.4 Å²	46.4	62%	0.622	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-105.2	-9.4	177	-65	-177.1	-178.9	179.2	0	112.9	E681 V683 P684	E681-K686 HydrophobicContact CG-CB 3.65Å; V683-K686 HydrophobicContact CB-CB 4.47Å; V683-K686 HydrophobicContact CB-CD 4.33Å; V683-K686 HydrophobicContact CB-CG 4.44Å; V683-K686 HydrophobicContact CG1-CD 4.43Å; V683-K686 HydrophobicContact CG1-CG 4.26Å; V683-K686 PolarHBondContact O-N 3.05Å; P684-K686 PolarHBondContact O-N 2.73Å
687	R	98.5	Very high	97.7	Very high	12 Å²	12	50.5 Å²	50.5	5%	0.045	27%	0.269	C	S	.	.	S	Bend	trans	-68.9	138.8	179.8	-167.9	179.7	-63.6	152.9	8	109.6	E561 P571 I574 M679 E681 V683 P684 S689	E561-R687 IonicContact OE1-CZ 4Å; E561-R687 IonicContact OE1-NH1 2.71Å; E561-R687 PolarHBondContact OE1-NH1 3.22Å; E561-R687 IonicContact OE1-NH2 3.74Å; E561-R687 PolarHBondContact OE1-NH2 2.91Å; E561-R687 IonicContact OE2-CZ 2.88Å; E561-R687 IonicContact OE2-NH1 3.85Å; E561-R687 PolarHBondContact OE2-NH1 2.61Å; E561-R687 IonicContact OE2-NH2 2.77Å; E561-R687 PolarHBondContact OE2-NH2 3.14Å; P571-R687 VanDerWaalsContact C-NH1 3.34Å; P571-R687 HydrophobicContact CB-CB 4.23Å; P571-R687 WeakPolarHBondContact O-CD 3.4Å; P571-R687 PolarHBondContact O-NH1 3.23Å; I574-R687 HydrophobicContact CG2-CG 4.36Å; M679-R687 WeakPolarHBondContact O-CD 3.46Å; M679-R687 VanDerWaalsContact O-CG 3.3Å; M679-R687 WeakPolarHBondContact O-CG 3.47Å; E681-R687 HydrophobicContact CB-CB 4.1Å; E681-R687 HydrophobicContact CB-CG 4.35Å; E681-R687 PolarHBondContact O-NE 3.26Å; E681-R687 PolarHBondContact O-NH2 3.11Å; V683-R687 PolarHBondContact O-N 3.46Å; P684-R687 WeakPolarHBondContact O-CB 3.41Å; P684-R687 PolarHBondContact O-N 3.1Å; R687-S689 PolarHBondContact O-N 3.27Å
688	A	98.5	Very high	97.6	Very high	12 Å²	12	47.3 Å²	47.3	10%	0.099	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-55.7	140.1	178.8	0	0	0	0	0	110.6	I574 P678 C693	I574-A688 WeakPolarHBondContact CG2-O 3.29Å; P678-A688 HydrophobicContact CB-CB 3.88Å; P678-A688 PolarHBondContact O-N 3.45Å; A688-C693 VanDerWaalsContact CB-SG 3.6Å
689	S	98.6	Very high	97.4	Very high	53 Å²	53	44.7 Å²	44.7	37%	0.371	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-81.6	162.9	170.2	61.1	0	0	0	0	111.3	R687 G691 E692 C693	R687-S689 PolarHBondContact O-N 3.27Å; S689-G691 VanDerWaalsContact C-N 3.31Å; S689-G691 PolarHBondContact O-N 3.43Å; S689-E692 WeakPolarHBondContact CB-OE2 3.33Å; S689-E692 PolarHBondContact N-OE2 2.88Å; S689-E692 PolarHBondContact O-N 3.3Å; S689-E692 VanDerWaalsContact O-N 3.12Å; S689-E692 VanDerWaalsContact OG-CD 3.29Å; S689-E692 VanDerWaalsContact OG-CG 3.29Å; S689-E692 WeakPolarHBondContact OG-CG 3.49Å; S689-E692 PolarHBondContact OG-N 2.79Å; S689-E692 PolarHBondContact OG-OE2 3.43Å; S689-C693 PolarHBondContact O-N 2.99Å; S689-C693 PolarHBondContact O-SG 3.47Å
690	A	98.4	Very high	96.7	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.008	27%	0.265	C	S	.	.	H	α-helix	trans	-55.1	-46.2	176	0	0	0	0	0	112.2	L197 L200 D201 I574 E692 C693 L694	L197-A690 HydrophobicContact CD2-CB 4.33Å; L200-A690 HydrophobicContact CB-CB 4.1Å; D201-A690 HydrophobicContact CB-CB 3.77Å; I574-A690 HydrophobicContact CD1-CB 3.88Å; A690-E692 PolarHBondContact O-N 2.61Å; A690-C693 PolarHBondContact O-N 3.16Å; A690-L694 WeakPolarHBondContact O-CG 3.22Å; A690-L694 PolarHBondContact O-N 3.3Å
691	G	97.3	Very high	95.4	Very high	18 Å²	18	54.2 Å²	54.2	19%	0.186	30%	0.301	C	S	.	.	H	α-helix	trans	-60.2	-37.1	175.4	0	0	0	0	0	114.4	D201 S689 N695	D201-G691 PolarHBondContact OD1-N 2.97Å; S689-G691 VanDerWaalsContact C-N 3.31Å; S689-G691 PolarHBondContact O-N 3.43Å; G691-N695 PolarHBondContact O-ND2 2.78Å
692	E	97.9	Very high	95.3	Very high	120 Å²	120	53.5 Å²	53.5	56%	0.561	30%	0.3	S	S	*	.	H	α-helix	trans	-68.3	-43.3	174.2	-73.8	164.3	146.1	0	0	111.4	S689 A690 L694 N695	S689-E692 WeakPolarHBondContact CB-OE2 3.33Å; S689-E692 PolarHBondContact N-OE2 2.88Å; S689-E692 PolarHBondContact O-N 3.3Å; S689-E692 VanDerWaalsContact O-N 3.12Å; S689-E692 VanDerWaalsContact OG-CD 3.29Å; S689-E692 VanDerWaalsContact OG-CG 3.29Å; S689-E692 WeakPolarHBondContact OG-CG 3.49Å; S689-E692 PolarHBondContact OG-N 2.79Å; S689-E692 PolarHBondContact OG-OE2 3.43Å; A690-E692 PolarHBondContact O-N 2.61Å; E692-L694 VanDerWaalsContact C-N 3.3Å; E692-L694 PolarHBondContact O-N 3.05Å; E692-N695 PolarHBondContact O-N 3.35Å; E692-N695 VanDerWaalsContact O-N 3.16Å
693	C	98.4	Very high	95.3	Very high	6 Å²	6	55.6 Å²	55.6	4%	0.041	31%	0.312	C	S	.	.	H	α-helix	trans	-61.5	-37.5	177.2	-64.3	0	0	0	0	112.4	L197 F675 M679 A688 S689 A690 N695 H696 L699	L197-C693 HydrophobicContact CD1-CB 3.61Å; L197-C693 HydrophobicContact CD2-CB 4.01Å; L197-C693 HydrophobicContact CG-CB 4.43Å; F675-C693 HydrophobicContact CE2-CB 4.29Å; M679-C693 WeakPolarHBondContact CG-SG 3.49Å; A688-C693 VanDerWaalsContact CB-SG 3.6Å; S689-C693 PolarHBondContact O-N 2.99Å; S689-C693 PolarHBondContact O-SG 3.47Å; A690-C693 PolarHBondContact O-N 3.16Å; C693-N695 PolarHBondContact O-N 3.01Å; C693-H696 WeakPolarHBondContact O-CB 3.4Å; C693-H696 PolarHBondContact O-N 3.36Å; C693-L699 VanDerWaalsContact O-CD1 3.29Å; C693-L699 WeakPolarHBondContact O-CD1 3.43Å
694	L	97.9	Very high	95.2	Very high	40 Å²	40	58.3 Å²	58.3	21%	0.209	33%	0.327	C	S	.	.	H	α-helix	trans	-61.7	-25.2	177.5	-74.8	170.9	0	0	0	113.6	R194 L197 Q198 D201 A690 E692 H696 L699	R194-L694 HydrophobicContact CG-CD2 3.97Å; R194-L694 WeakPolarHBondContact O-CD2 3.39Å; L197-L694 HydrophobicContact CB-CD2 3.7Å; L197-L694 HydrophobicContact CB-CG 3.94Å; Q198-L694 HydrophobicContact CG-CD1 4.08Å; Q198-L694 HydrophobicContact CG-CD2 3.79Å; D201-L694 HydrophobicContact CB-CD1 4.23Å; A690-L694 WeakPolarHBondContact O-CG 3.22Å; A690-L694 PolarHBondContact O-N 3.3Å; E692-L694 VanDerWaalsContact C-N 3.3Å; E692-L694 PolarHBondContact O-N 3.05Å; L694-H696 VanDerWaalsContact C-N 3.33Å; L694-L699 HydrophobicContact CD2-CD1 4.46Å
695	N	96.7	Very high	95.1	Very high	139 Å²	139	61 Å²	61	74%	0.743	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-1.3	176.8	-68.1	-59.8	0	0	0	113	G691 E692 C693	G691-N695 PolarHBondContact O-ND2 2.78Å; E692-N695 PolarHBondContact O-N 3.35Å; E692-N695 VanDerWaalsContact O-N 3.16Å; C693-N695 PolarHBondContact O-N 3.01Å
696	H	97.6	Very high	95	Very high	34 Å²	34	54.8 Å²	54.8	16%	0.157	32%	0.316	C	S	.	.			trans	-74.3	133.3	-177.1	-167.1	-90.3	0	0	0	111.8	F675 C693 L694 W698 L699	F675-H696 HydrophobicContact CD2-CB 3.78Å; F675-H696 AromaticContact CD2-CG 3.64Å; F675-H696 AromaticContact CD2-ND1 3.48Å; F675-H696 WeakPolarHBondContact CD2-ND1 3.38Å; F675-H696 HydrophobicContact CE2-CB 4.1Å; C693-H696 WeakPolarHBondContact O-CB 3.4Å; C693-H696 PolarHBondContact O-N 3.36Å; L694-H696 VanDerWaalsContact C-N 3.33Å; H696-W698 VanDerWaalsContact ND1-CB 3.34Å; H696-W698 WeakPolarHBondContact ND1-CB 3.29Å; H696-W698 PolarHBondContact ND1-N 3.06Å; H696-W698 PolarHBondContact O-N 3.14Å; H696-W698 VanDerWaalsContact O-N 3.11Å; H696-L699 PolarHBondContact O-N 2.89Å; H696-L699 VanDerWaalsContact O-N 3.16Å
697	P	95.9	Very high	94.8	Very high	86 Å²	86	48.9 Å²	48.9	56%	0.558	30%	0.296	S	S	*	.	H	α-helix	trans	-57.8	-30.5	-175	-27.4	34.7	0	0	0	115.2	L699 S700 S701	P697-L699 PolarHBondContact O-N 2.9Å; P697-S700 PolarHBondContact O-N 3.15Å; P697-S700 PolarHBondContact O-OG 3.4Å; P697-S701 WeakPolarHBondContact O-CB 3.32Å; P697-S701 PolarHBondContact O-N 3.25Å
698	W	96.6	Very high	94.5	Very high	9 Å²	9	51.6 Å²	51.6	3%	0.034	31%	0.314	C	S	.	.	H	α-helix	trans	-55.8	-35.9	179.2	179.9	80.8	0	0	0	112.8	V189 K190 F672 F675 H696	V189-W698 HydrophobicContact CG1-CH2 4.25Å; K190-W698 HydrophobicContact CB-CH2 4.34Å; K190-W698 HydrophobicContact CB-CZ3 4.43Å; K190-W698 HydrophobicContact CD-CZ2 4.42Å; K190-W698 WeakPolarHBondContact CD-O 3.2Å; K190-W698 WeakPolarHBondContact CE-O 3.23Å; K190-W698 HydrophobicContact CG-CD2 4.06Å; K190-W698 HydrophobicContact CG-CE3 4.06Å; K190-W698 HydrophobicContact CG-CH2 3.52Å; K190-W698 HydrophobicContact CG-CZ2 3.5Å; K190-W698 HydrophobicContact CG-CZ3 3.8Å; F672-W698 HydrophobicContact CD2-CD2 4.33Å; F672-W698 AromaticContact CD2-CE2 3.55Å; F672-W698 AromaticContact CD2-CH2 3.94Å; F672-W698 HydrophobicContact CD2-CH2 3.94Å; F672-W698 AromaticContact CD2-CZ2 3.33Å; F672-W698 HydrophobicContact CD2-CZ2 3.33Å; F672-W698 AromaticContact CD2-NE1 3.83Å; F672-W698 AromaticContact CE2-CH2 3.73Å; F672-W698 HydrophobicContact CE2-CH2 3.73Å; F672-W698 AromaticContact CE2-CZ2 3.55Å; F672-W698 HydrophobicContact CE2-CZ2 3.55Å; F672-W698 HydrophobicContact CG-CZ2 4.41Å; F675-W698 HydrophobicContact CB-CB 3.9Å; F675-W698 HydrophobicContact CB-CD2 4.16Å; F675-W698 HydrophobicContact CB-CE3 4.29Å; F675-W698 HydrophobicContact CB-CG 3.99Å; F675-W698 AromaticContact CD1-CD2 3.9Å; F675-W698 HydrophobicContact CD1-CD2 3.9Å; F675-W698 AromaticContact CD1-CE3 3.3Å; F675-W698 HydrophobicContact CD1-CE3 3.3Å; F675-W698 HydrophobicContact CD1-CH2 4.34Å; F675-W698 AromaticContact CD1-CZ3 3.56Å; F675-W698 HydrophobicContact CD1-CZ3 3.56Å; F675-W698 HydrophobicContact CD2-CB 4.37Å; F675-W698 HydrophobicContact CD2-CE3 4.02Å; F675-W698 HydrophobicContact CE1-CD2 4.47Å; F675-W698 AromaticContact CE1-CE3 3.46Å; F675-W698 HydrophobicContact CE1-CE3 3.46Å; F675-W698 VanDerWaalsContact CE1-CE3 3.46Å; F675-W698 HydrophobicContact CE1-CH2 4.31Å; F675-W698 AromaticContact CE1-CZ3 3.36Å; F675-W698 HydrophobicContact CE1-CZ3 3.36Å; F675-W698 HydrophobicContact CE2-CE3 4.14Å; F675-W698 HydrophobicContact CG-CB 4.18Å; F675-W698 AromaticContact CG-CD2 3.98Å; F675-W698 HydrophobicContact CG-CD2 3.98Å; F675-W698 AromaticContact CG-CE3 3.6Å; F675-W698 HydrophobicContact CG-CE3 3.6Å; F675-W698 HydrophobicContact CG-CG 4.23Å; F675-W698 HydrophobicContact CG-CZ3 4.31Å; F675-W698 AromaticContact CZ-CE3 3.87Å; F675-W698 HydrophobicContact CZ-CE3 3.87Å; F675-W698 AromaticContact CZ-CZ3 3.95Å; F675-W698 HydrophobicContact CZ-CZ3 3.95Å; H696-W698 VanDerWaalsContact ND1-CB 3.34Å; H696-W698 WeakPolarHBondContact ND1-CB 3.29Å; H696-W698 PolarHBondContact ND1-N 3.06Å; H696-W698 PolarHBondContact O-N 3.14Å; H696-W698 VanDerWaalsContact O-N 3.11Å
699	L	94.1	Very high	94.2	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-69.9	-35.8	177.6	-68	174.3	0	0	0	111	I193 R194 L197 F675 C693 L694 H696 P697 S701	I193-L699 HydrophobicContact CB-CD2 4.48Å; I193-L699 HydrophobicContact CG2-CD2 4.28Å; R194-L699 HydrophobicContact CB-CD1 4.49Å; R194-L699 HydrophobicContact CB-CD2 4.2Å; R194-L699 HydrophobicContact CG-CD1 4.42Å; R194-L699 PolarHBondContact NH1-O 2.86Å; R194-L699 VanDerWaalsContact NH1-O 3.12Å; R194-L699 PolarHBondContact NH2-O 2.87Å; L197-L699 HydrophobicContact CD1-CD1 3.95Å; F675-L699 HydrophobicContact CE2-CD1 4.04Å; F675-L699 HydrophobicContact CE2-CD2 4.32Å; F675-L699 HydrophobicContact CE2-CG 3.94Å; F675-L699 HydrophobicContact CZ-CD1 4.25Å; F675-L699 HydrophobicContact CZ-CD2 3.98Å; F675-L699 HydrophobicContact CZ-CG 4.1Å; C693-L699 VanDerWaalsContact O-CD1 3.29Å; C693-L699 WeakPolarHBondContact O-CD1 3.43Å; L694-L699 HydrophobicContact CD2-CD1 4.46Å; H696-L699 PolarHBondContact O-N 2.89Å; H696-L699 VanDerWaalsContact O-N 3.16Å; P697-L699 PolarHBondContact O-N 2.9Å; L699-S701 VanDerWaalsContact C-N 3.33Å
700	S	83.2	Confident	93.8	Very high	95 Å²	95	54.8 Å²	54.8	66%	0.664	33%	0.327	S	S	*	.	H	α-helix	trans	-83.1	-3.6	-179.3	52.5	0	0	0	0	115.1	P697	P697-S700 PolarHBondContact O-N 3.15Å; P697-S700 PolarHBondContact O-OG 3.4Å
701	S	72.1	Confident	93.4	Very high	108 Å²	108	59.6 Å²	59.6	76%	0.755	36%	0.356	S	S	*	.			trans	-94.9	0	-169.4	111.8	0	0	0	0	114.5	K190 P697 L699	K190-S701 VanDerWaalsContact NZ-C 3.34Å; K190-S701 PolarHBondContact NZ-O 3.09Å; K190-S701 PolarHBondContact NZ-OG 2.87Å; P697-S701 WeakPolarHBondContact O-CB 3.32Å; P697-S701 PolarHBondContact O-N 3.25Å; L699-S701 VanDerWaalsContact C-N 3.33Å

Retrieved 701 of 701 residues in 128.6 ms (Link to these results)

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