A0A5K4FET6_SCHMA Loading...

ANK_REP_REGION domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FET6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 601 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	31.9	Very low	27.9	Very low	208 Å²	208	137.7 Å²	137.7	100%	1.025	72%	0.72	S	S	*	*				0	-63	0	-149	162.6	179	0	0	111.9	L3 L4	M1-L3 PolarHBondContact O-N 3.49Å; M1-L4 PolarHBondContact O-N 3.14Å
2	L	26.6	Very low	28	Very low	145 Å²	145	142.4 Å²	142.4	76%	0.759	73%	0.73	S	S	*	*	H	α-helix	trans	-48.7	-31.9	-178.8	-84.8	77.2	0	0	0	116.2	L4 T5 R6	L2-L4 PolarHBondContact O-N 3.06Å; L2-T5 PolarHBondContact O-N 2.89Å; L2-T5 PolarHBondContact O-OG1 3.03Å; L2-T5 VanDerWaalsContact O-OG1 3.11Å; L2-R6 PolarHBondContact O-N 3.42Å
3	L	24.8	Very low	27.9	Very low	144 Å²	144	137.5 Å²	137.5	75%	0.754	71%	0.713	S	S	*	*	H	α-helix	trans	-69.1	-16.8	179.7	-111.4	151.7	0	0	0	114.3	M1 L7	M1-L3 PolarHBondContact O-N 3.49Å; L3-L7 WeakPolarHBondContact O-CD1 3.38Å
4	L	27.6	Very low	28.1	Very low	136 Å²	136	131.4 Å²	131.4	71%	0.712	69%	0.688	S	S	*	*	H	α-helix	trans	-88.6	-34.2	176.6	-75.1	161.7	0	0	0	112.3	M1 L2 L7	M1-L4 PolarHBondContact O-N 3.14Å; L2-L4 PolarHBondContact O-N 3.06Å; L4-L7 PolarHBondContact O-N 3.42Å
5	T	29.9	Very low	28.1	Very low	83 Å²	83	131.4 Å²	131.4	51%	0.509	69%	0.687	S	S	.	*	H	α-helix	trans	-69.5	-35.5	173.8	24.2	0	0	0	0	112.5	L2 L7 S8	L2-T5 PolarHBondContact O-N 2.89Å; L2-T5 PolarHBondContact O-OG1 3.03Å; L2-T5 VanDerWaalsContact O-OG1 3.11Å; T5-L7 PolarHBondContact O-N 2.7Å; T5-S8 PolarHBondContact O-N 2.75Å; T5-S8 PolarHBondContact O-OG 2.96Å
6	R	28.3	Very low	28.2	Very low	188 Å²	188	128.1 Å²	128.1	71%	0.709	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	-12.4	175.1	-79.9	-72.2	-178.7	135.9	-2	114.8	L2	L2-R6 PolarHBondContact O-N 3.42Å
7	L	28.1	Very low	28.4	Very low	140 Å²	140	126.5 Å²	126.5	73%	0.733	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	-10.7	177.9	-75	168.8	0	0	0	113.8	L3 L4 T5	L3-L7 WeakPolarHBondContact O-CD1 3.38Å; L4-L7 PolarHBondContact O-N 3.42Å; T5-L7 PolarHBondContact O-N 2.7Å
8	S	28.1	Very low	28.5	Very low	92 Å²	92	128.7 Å²	128.7	64%	0.643	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	-15.3	-178.9	38.3	0	0	0	0	115.3	T5	T5-S8 PolarHBondContact O-N 2.75Å; T5-S8 PolarHBondContact O-OG 2.96Å
9	E	28.2	Very low	28.6	Very low	136 Å²	136	129 Å²	129	64%	0.636	66%	0.657	S	S	*	*	S	Bend	trans	-101.8	-23.2	-162.8	-65.6	177.2	146.7	0	0	115.7	S11	E9-S11 PolarHBondContact O-N 3.37Å
10	I	28.8	Very low	28.7	Very low	141 Å²	141	127.6 Å²	127.6	72%	0.723	65%	0.651	S	S	*	*			trans	-97.8	73.9	-172.8	-51.1	-175	0	0	0	111.3
11	S	25	Very low	28.8	Very low	102 Å²	102	130.7 Å²	130.7	71%	0.713	66%	0.66	S	S	*	*			trans	-73.2	132.6	167.9	68.5	0	0	0	0	111.5	E9	E9-S11 PolarHBondContact O-N 3.37Å
12	K	28.5	Very low	28.7	Very low	194 Å²	194	126.5 Å²	126.5	84%	0.843	64%	0.641	S	S	*	*			trans	44	107.4	164.1	-59.6	174.7	-177.8	173.4	0	117.3
13	P	26.5	Very low	28.8	Very low	79 Å²	79	126 Å²	126	51%	0.513	64%	0.639	S	S	.	*				-122.2	-173	116.4	37.2	-35.4	0	0	0	112.8
14	S	31.3	Very low	29	Very low	51 Å²	51	124.5 Å²	124.5	36%	0.357	63%	0.631	S	S	.	*			trans	-75.9	178.8	-155.5	76.1	0	0	0	0	115.4	S16 E17	S14-S16 PolarHBondContact OG-OG 3.16Å; S14-E17 WeakPolarHBondContact CB-OE2 3.24Å; S14-E17 PolarHBondContact N-OE2 3.48Å; S14-E17 WeakPolarHBondContact OG-CG 3.38Å; S14-E17 PolarHBondContact OG-OE2 3.4Å
15	I	28.6	Very low	29	Very low	132 Å²	132	124.4 Å²	124.4	68%	0.677	63%	0.631	S	S	*	*	S	Bend	trans	-76.6	-34.6	-179.8	-66.6	177.6	0	0	0	111.8	Y19	I15-Y19 HydrophobicContact CG2-CE2 4.16Å; I15-Y19 VanDerWaalsContact O-CD2 3.25Å; I15-Y19 WeakPolarHBondContact O-CD2 3.38Å; I15-Y19 WeakPolarHBondContact O-CE2 3.45Å
16	S	29.7	Very low	28.8	Very low	78 Å²	78	124.4 Å²	124.4	55%	0.545	63%	0.634	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70	-45.4	-179	41.1	0	0	0	0	112.3	S14 R18 Y19	S14-S16 PolarHBondContact OG-OG 3.16Å; S16-R18 PolarHBondContact O-N 3.36Å; S16-Y19 PolarHBondContact O-N 3.33Å
17	E	31.5	Very low	28.6	Very low	102 Å²	102	120.8 Å²	120.8	48%	0.477	64%	0.638	S	S	.	*	H	α-helix	trans	-59.9	-13.7	-179.2	-66.3	165.7	93.6	0	0	114.3	S14	S14-E17 WeakPolarHBondContact CB-OE2 3.24Å; S14-E17 PolarHBondContact N-OE2 3.48Å; S14-E17 WeakPolarHBondContact OG-CG 3.38Å; S14-E17 PolarHBondContact OG-OE2 3.4Å
18	R	30	Very low	28.4	Very low	166 Å²	166	119 Å²	119	63%	0.626	64%	0.637	S	S	*	*	H	α-helix	trans	-79.9	-16.6	174.1	-64.2	-177.5	-175.1	-143.3	-3.1	113.9	S16 L22	S16-R18 PolarHBondContact O-N 3.36Å; R18-L22 WeakPolarHBondContact O-CD1 3.5Å
19	Y	29.4	Very low	28.2	Very low	134 Å²	134	125 Å²	125	53%	0.525	65%	0.647	S	S	.	*	H	α-helix	trans	-93.3	-38	-178	-70.5	-81.4	0	0	0	112.8	I15 S16 K21 L22 L24	I15-Y19 HydrophobicContact CG2-CE2 4.16Å; I15-Y19 VanDerWaalsContact O-CD2 3.25Å; I15-Y19 WeakPolarHBondContact O-CD2 3.38Å; I15-Y19 WeakPolarHBondContact O-CE2 3.45Å; S16-Y19 PolarHBondContact O-N 3.33Å; Y19-K21 PolarHBondContact O-N 3.42Å; Y19-L22 PolarHBondContact O-N 3.34Å; Y19-L24 HydrophobicContact CD1-CD1 4.06Å
20	D	31.2	Very low	28	Very low	101 Å²	101	123.2 Å²	123.2	54%	0.54	65%	0.65	S	S	.	*	H	α-helix	trans	-66.8	-37.7	-179.2	-65.5	-37.8	0	0	0	112.6	L22 N23	D20-L22 PolarHBondContact O-N 3.08Å; D20-N23 PolarHBondContact O-N 2.91Å
21	K	30.7	Very low	27.7	Very low	193 Å²	193	125.6 Å²	125.6	84%	0.839	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	8.9	176.6	-70.2	-173	177.2	176.6	0	114.7	Y19	Y19-K21 PolarHBondContact O-N 3.42Å
22	L	29.1	Very low	27.6	Very low	119 Å²	119	127.4 Å²	127.4	62%	0.623	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.6	9.1	176.3	-72.8	174.2	0	0	0	113.7	R18 Y19 D20 L24	R18-L22 WeakPolarHBondContact O-CD1 3.5Å; Y19-L22 PolarHBondContact O-N 3.34Å; D20-L22 PolarHBondContact O-N 3.08Å; L22-L24 HydrophobicContact CB-CD1 3.87Å; L22-L24 HydrophobicContact CB-CG 4Å; L22-L24 HydrophobicContact CD1-CD1 4.17Å; L22-L24 PolarHBondContact O-N 3.48Å; L22-L24 VanDerWaalsContact O-N 3.15Å
23	N	30.4	Very low	27.4	Very low	135 Å²	135	127.7 Å²	127.7	72%	0.722	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	53.1	29.4	-175.6	-77.1	7.4	0	0	0	114	D20 L25	D20-N23 PolarHBondContact O-N 2.91Å; N23-L25 PolarHBondContact O-N 3.37Å
24	L	29.1	Very low	27.3	Very low	113 Å²	113	131.9 Å²	131.9	59%	0.592	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	2.5	179.6	-72.3	168.9	0	0	0	113.7	Y19 L22	Y19-L24 HydrophobicContact CD1-CD1 4.06Å; L22-L24 HydrophobicContact CB-CD1 3.87Å; L22-L24 HydrophobicContact CB-CG 4Å; L22-L24 HydrophobicContact CD1-CD1 4.17Å; L22-L24 PolarHBondContact O-N 3.48Å; L22-L24 VanDerWaalsContact O-N 3.15Å
25	L	27.1	Very low	27.1	Very low	133 Å²	133	134.4 Å²	134.4	70%	0.696	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.3	50.6	-176.2	-72	176.1	0	0	0	113.1	N23	N23-L25 PolarHBondContact O-N 3.37Å
26	S	24.6	Very low	26.8	Very low	83 Å²	83	135.4 Å²	135.4	58%	0.58	69%	0.685	S	S	*	*			trans	-156.5	136.6	162.9	43	0	0	0	0	116.1
27	S	23.9	Very low	26.5	Very low	112 Å²	112	136 Å²	136	78%	0.783	69%	0.689	S	S	*	*			trans	68	132.3	160.7	66	0	0	0	0	121.5
28	S	24.3	Very low	26.2	Very low	104 Å²	104	140.8 Å²	140.8	73%	0.727	71%	0.709	S	S	*	*	S	Bend	trans	81.4	131.7	167.5	78.8	0	0	0	0	119.4
29	Y	24.9	Very low	25.9	Very low	217 Å²	217	139.6 Å²	139.6	85%	0.851	72%	0.715	S	S	*	*	S	Bend	trans	65.4	54.9	170.7	-58.1	-72	0	0	0	119.5
30	S	22.9	Very low	25.6	Very low	99 Å²	99	138 Å²	138	69%	0.692	72%	0.721	S	S	*	*				39.8	94.3	127.1	61	0	0	0	0	118.6	L32	S30-L32 PolarHBondContact O-N 2.62Å
31	F	22.3	Very low	25.3	Very low	191 Å²	191	138.5 Å²	138.5	84%	0.838	73%	0.729	S	S	*	*			trans	-68.2	103	145.7	-99.5	-90.3	0	0	0	108.8	W33	F31-W33 VanDerWaalsContact C-N 3.29Å; F31-W33 AromaticContact CD1-CD1 3.96Å; F31-W33 PolarHBondContact O-N 3.44Å
32	L	24	Very low	25	Very low	140 Å²	140	135.4 Å²	135.4	73%	0.733	73%	0.727	S	S	*	*			trans	-75.6	88.5	162.2	-116.8	164.3	0	0	0	107.9	S30 E34	S30-L32 PolarHBondContact O-N 2.62Å; L32-E34 HydrophobicContact CD2-CG 3.87Å; L32-E34 PolarHBondContact O-N 2.9Å
33	W	24.6	Very low	24.9	Very low	199 Å²	199	137 Å²	137	75%	0.754	73%	0.734	S	S	*	*			trans	-69.9	88.8	159.9	-95.2	48.6	0	0	0	107.6	F31 T35	F31-W33 VanDerWaalsContact C-N 3.29Å; F31-W33 AromaticContact CD1-CD1 3.96Å; F31-W33 PolarHBondContact O-N 3.44Å; W33-T35 HydrophobicContact CE3-CG2 4.2Å; W33-T35 PolarHBondContact O-N 3.06Å
34	E	23.9	Very low	24.6	Very low	167 Å²	167	139.1 Å²	139.1	78%	0.78	74%	0.737	S	S	*	*			trans	-71.6	78.6	165.4	-70.2	-168.4	147	0	0	109.6	L32 N36	L32-E34 HydrophobicContact CD2-CG 3.87Å; L32-E34 PolarHBondContact O-N 2.9Å; E34-N36 VanDerWaalsContact C-N 3.3Å; E34-N36 PolarHBondContact O-N 3.37Å; E34-N36 VanDerWaalsContact O-N 3.09Å
35	T	26.7	Very low	24.4	Very low	104 Å²	104	138.1 Å²	138.1	64%	0.638	74%	0.74	S	S	*	*			trans	-68.4	93	154	49.7	0	0	0	0	108	W33	W33-T35 HydrophobicContact CE3-CG2 4.2Å; W33-T35 PolarHBondContact O-N 3.06Å
36	N	22.6	Very low	24.2	Very low	153 Å²	153	138.8 Å²	138.8	82%	0.818	74%	0.744	S	S	*	*			trans	-163.8	139.2	149.7	-96.3	-31.5	0	0	0	112.3	E34	E34-N36 VanDerWaalsContact C-N 3.3Å; E34-N36 PolarHBondContact O-N 3.37Å; E34-N36 VanDerWaalsContact O-N 3.09Å
37	S	23.7	Very low	24.3	Very low	90 Å²	90	143.6 Å²	143.6	63%	0.629	76%	0.758	S	S	*	*			trans	31.3	112.2	159.8	59.7	0	0	0	0	119.4
38	F	24	Very low	24.3	Very low	203 Å²	203	144.1 Å²	144.1	89%	0.89	76%	0.756	S	S	*	*				-154.2	146.8	104.3	-102.4	-70	0	0	0	110.2
39	N	25	Very low	24.3	Very low	142 Å²	142	146.5 Å²	146.5	76%	0.759	76%	0.76	S	S	*	*			trans	-70	146.9	-163.2	-63.3	-36	0	0	0	113.2
40	P	23.7	Very low	24.3	Very low	100 Å²	100	142.4 Å²	142.4	65%	0.649	76%	0.758	S	S	*	*			trans	-61.8	140	160.5	29.7	-33.9	0	0	0	108.9	T42	P40-T42 PolarHBondContact O-N 3.34Å
41	P	24.4	Very low	24.4	Very low	111 Å²	111	143 Å²	143	72%	0.721	75%	0.754	S	S	*	*			trans	-65.4	112.1	175.2	26.7	-32.9	0	0	0	109.1	I43	P41-I43 HydrophobicContact CB-CG1 4.48Å; P41-I43 PolarHBondContact O-N 3.11Å
42	T	23.5	Very low	24.6	Very low	129 Å²	129	142 Å²	142	79%	0.791	76%	0.756	S	S	*	*			trans	-74.2	68.6	178.1	51.5	0	0	0	0	111	P40 K44	P40-T42 PolarHBondContact O-N 3.34Å; T42-K44 PolarHBondContact O-N 3.3Å; T42-K44 VanDerWaalsContact O-N 3.12Å
43	I	27.6	Very low	24.7	Very low	151 Å²	151	142.3 Å²	142.3	77%	0.774	75%	0.753	S	S	*	*			trans	-74.5	99	167.7	-59.5	-179.8	0	0	0	106.8	P41	P41-I43 HydrophobicContact CB-CG1 4.48Å; P41-I43 PolarHBondContact O-N 3.11Å
44	K	24.7	Very low	24.8	Very low	180 Å²	180	141 Å²	141	78%	0.783	75%	0.753	S	S	*	*			trans	-65.6	141.8	174	-73.8	-178.8	174.4	178.7	0	110.4	T42	T42-K44 PolarHBondContact O-N 3.3Å; T42-K44 VanDerWaalsContact O-N 3.12Å
45	S	24.7	Very low	24.9	Very low	93 Å²	93	141.5 Å²	141.5	65%	0.65	76%	0.758	S	S	*	*			trans	59.4	124.4	145.5	60.5	0	0	0	0	120.2
46	N	23.4	Very low	24.8	Very low	147 Å²	147	141.1 Å²	141.1	79%	0.786	76%	0.758	S	S	*	*			trans	85.9	138.2	145.9	-54	-14.6	0	0	0	118.5
47	Q	25.6	Very low	24.9	Very low	184 Å²	184	139 Å²	139	86%	0.86	75%	0.747	S	S	*	*			trans	66	127.3	165.7	-64	171.7	3.7	0	0	116.7
48	T	24.4	Very low	25.1	Very low	122 Å²	122	142.8 Å²	142.8	75%	0.748	75%	0.752	S	S	*	*			cis	-157.7	159.9	-20.1	-12.1	0	0	0	0	108.5
49	N	24.3	Very low	25.3	Very low	154 Å²	154	142.1 Å²	142.1	82%	0.824	75%	0.749	S	S	*	*			trans	-4	119.3	166.4	-59	-15.5	0	0	0	118.6
50	V	24.4	Very low	25.6	Very low	132 Å²	132	140.9 Å²	140.9	80%	0.8	74%	0.742	S	S	*	*				-164.5	122.8	127.7	138.3	0	0	0	0	111.3
51	N	26	Very low	25.8	Very low	112 Å²	112	144.4 Å²	144.4	60%	0.599	74%	0.743	S	S	*	*			trans	36.6	94.7	159.7	-62.4	-18.2	0	0	0	120.9	Q53	N51-Q53 HydrophobicContact CB-CB 4.31Å; N51-Q53 PolarHBondContact O-N 3.4Å
52	L	26.1	Very low	26.2	Very low	168 Å²	168	145.7 Å²	145.7	88%	0.88	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-60.9	-13.6	155.7	-109.4	75	0	0	0	114	F54	L52-F54 PolarHBondContact O-N 2.96Å; L52-F54 VanDerWaalsContact O-N 3.09Å
53	Q	26.5	Very low	26.6	Very low	147 Å²	147	147.9 Å²	147.9	69%	0.687	74%	0.736	S	S	*	*	G	3₁₀ helix	trans	-53.3	-33.7	-170.8	-148.1	79	4.5	0	0	114.3	N51 M55	N51-Q53 HydrophobicContact CB-CB 4.31Å; N51-Q53 PolarHBondContact O-N 3.4Å; Q53-M55 PolarHBondContact O-N 3.07Å
54	F	26	Very low	26.8	Very low	172 Å²	172	145.5 Å²	145.5	75%	0.754	73%	0.725	S	S	*	*	G	3₁₀ helix	trans	-77.8	-10.1	-168	-91.6	-81.1	0	0	0	116.1	L52	L52-F54 PolarHBondContact O-N 2.96Å; L52-F54 VanDerWaalsContact O-N 3.09Å
55	M	25.4	Very low	27.2	Very low	177 Å²	177	144 Å²	144	87%	0.872	72%	0.718	S	S	*	*	G	3₁₀ helix	trans	-84	-12.7	-177.4	-73.6	-163.7	71.6	0	0	115.2	Q53	Q53-M55 PolarHBondContact O-N 3.07Å
56	C	24	Very low	27.6	Very low	96 Å²	96	146.9 Å²	146.9	65%	0.649	72%	0.716	S	S	*	*	S	Bend	trans	-90.1	-39.2	-173.6	-71.1	0	0	0	0	114.6	F58	C56-F58 PolarHBondContact O-N 2.99Å
57	D	26.6	Very low	28.1	Very low	108 Å²	108	147.5 Å²	147.5	58%	0.578	71%	0.711	S	S	*	*	H	α-helix	trans	-71.9	-27.2	-166.2	-72.1	-32	0	0	0	115	K59 L60 Y61	D57-K59 PolarHBondContact O-N 3.28Å; D57-K59 VanDerWaalsContact O-N 3.13Å; D57-L60 PolarHBondContact O-N 3.24Å; D57-L60 VanDerWaalsContact O-N 3.11Å; D57-Y61 PolarHBondContact O-N 3.3Å
58	F	26.8	Very low	28.6	Very low	170 Å²	170	143 Å²	143	75%	0.746	70%	0.697	S	S	*	*	H	α-helix	trans	-65	-20.8	-174.1	-119.5	-87.6	0	0	0	114.3	C56	C56-F58 PolarHBondContact O-N 2.99Å
59	K	29.3	Very low	29.1	Very low	189 Å²	189	142.8 Å²	142.8	82%	0.822	69%	0.686	S	S	*	*	H	α-helix	trans	-84.5	-34.1	173.7	-86.3	178.7	175.4	172.4	0	113	D57	D57-K59 PolarHBondContact O-N 3.28Å; D57-K59 VanDerWaalsContact O-N 3.13Å
60	L	29.8	Very low	29.7	Very low	116 Å²	116	142 Å²	142	61%	0.607	68%	0.675	S	S	*	*	H	α-helix	trans	-74.8	-41.3	178.6	-113.4	114.4	0	0	0	112	D57 K62 K63 L64	D57-L60 PolarHBondContact O-N 3.24Å; D57-L60 VanDerWaalsContact O-N 3.11Å; L60-K62 PolarHBondContact O-N 3.36Å; L60-K63 PolarHBondContact O-N 3.43Å; L60-L64 HydrophobicContact CD2-CD1 4.42Å; L60-L64 PolarHBondContact O-N 2.99Å; L60-L64 VanDerWaalsContact O-N 3.12Å
61	Y	28.3	Very low	30.3	Very low	174 Å²	174	141.1 Å²	141.1	68%	0.682	67%	0.665	S	S	*	*	H	α-helix	trans	-59.1	-34.2	-175.6	-142.6	-84.6	0	0	0	112.9	D57 K65	D57-Y61 PolarHBondContact O-N 3.3Å; Y61-K65 WeakPolarHBondContact O-CB 3.33Å; Y61-K65 PolarHBondContact O-N 3.12Å; Y61-K65 VanDerWaalsContact O-N 3.17Å
62	K	33.2	Very low	30.9	Very low	139 Å²	139	141.9 Å²	141.9	60%	0.604	66%	0.664	S	S	*	*	H	α-helix	trans	-66.6	-44.2	173.6	-75.9	-173.7	176	178	0	112.7	L60 K65 Y66	L60-K62 PolarHBondContact O-N 3.36Å; K62-K65 PolarHBondContact O-N 2.87Å; K62-Y66 WeakPolarHBondContact O-CD2 3.43Å; K62-Y66 PolarHBondContact O-N 3.34Å
63	K	31.5	Very low	31.3	Very low	174 Å²	174	137.5 Å²	137.5	76%	0.757	64%	0.641	S	S	*	*	H	α-helix	trans	-64	-42.8	179	-82.8	-172.8	173.8	-178.7	0	112.1	L60 Y66 K67	L60-K63 PolarHBondContact O-N 3.43Å; K63-Y66 PolarHBondContact O-N 3.37Å; K63-K67 PolarHBondContact O-N 3.38Å
64	L	31	Very low	31.8	Very low	102 Å²	102	137.7 Å²	137.7	53%	0.534	64%	0.636	S	S	.	*	H	α-helix	trans	-63.2	-43.9	177.6	-87.7	162.5	0	0	0	112.4	L60 Y66 K67 T68	L60-L64 HydrophobicContact CD2-CD1 4.42Å; L60-L64 PolarHBondContact O-N 2.99Å; L60-L64 VanDerWaalsContact O-N 3.12Å; L64-Y66 VanDerWaalsContact C-N 3.27Å; L64-Y66 PolarHBondContact O-N 2.85Å; L64-K67 PolarHBondContact O-N 3.21Å; L64-T68 PolarHBondContact O-N 3.12Å; L64-T68 PolarHBondContact O-OG1 3.32Å
65	K	34	Very low	32.5	Very low	148 Å²	148	134.1 Å²	134.1	64%	0.643	63%	0.625	S	S	*	*	H	α-helix	trans	-62.2	-30.7	-179.7	-159.8	168.2	-171.2	172.7	0	113.2	Y61 K62 T68 F69	Y61-K65 WeakPolarHBondContact O-CB 3.33Å; Y61-K65 PolarHBondContact O-N 3.12Å; Y61-K65 VanDerWaalsContact O-N 3.17Å; K62-K65 PolarHBondContact O-N 2.87Å; K65-T68 PolarHBondContact O-OG1 2.92Å; K65-F69 VanDerWaalsContact O-CB 3.27Å; K65-F69 WeakPolarHBondContact O-CB 3.41Å; K65-F69 PolarHBondContact O-N 3.43Å
66	Y	32.3	Very low	33.3	Very low	153 Å²	153	132.3 Å²	132.3	60%	0.6	61%	0.612	S	S	*	*	H	α-helix	trans	-75	-39.6	170.5	-69.4	-60.3	0	0	0	113	K62 K63 L64 T68 F69 F70	K62-Y66 WeakPolarHBondContact O-CD2 3.43Å; K62-Y66 PolarHBondContact O-N 3.34Å; K63-Y66 PolarHBondContact O-N 3.37Å; L64-Y66 VanDerWaalsContact C-N 3.27Å; L64-Y66 PolarHBondContact O-N 2.85Å; Y66-T68 PolarHBondContact O-N 3.26Å; Y66-F69 PolarHBondContact O-N 2.83Å; Y66-F70 WeakPolarHBondContact O-CD2 3.44Å; Y66-F70 PolarHBondContact O-N 3.05Å
67	K	34.7	Very low	33.8	Very low	160 Å²	160	130.2 Å²	130.2	70%	0.696	60%	0.597	S	S	*	*	H	α-helix	trans	-63.9	-42	-179.8	-167.9	175.6	-178.3	-177.1	0	111.9	K63 L64 L71	K63-K67 PolarHBondContact O-N 3.38Å; L64-K67 PolarHBondContact O-N 3.21Å; K67-L71 PolarHBondContact O-N 3.3Å; K67-L71 VanDerWaalsContact O-N 3.07Å
68	T	35.8	Very low	34.3	Very low	90 Å²	90	129.9 Å²	129.9	55%	0.552	59%	0.59	S	S	*	*	H	α-helix	trans	-69.6	-37.8	174.3	51.3	0	0	0	0	112.4	L64 K65 Y66 L71 F72	L64-T68 PolarHBondContact O-N 3.12Å; L64-T68 PolarHBondContact O-OG1 3.32Å; K65-T68 PolarHBondContact O-OG1 2.92Å; Y66-T68 PolarHBondContact O-N 3.26Å; T68-L71 PolarHBondContact O-N 3.1Å; T68-F72 WeakPolarHBondContact O-CB 3.44Å; T68-F72 PolarHBondContact O-N 2.91Å
69	F	36	Very low	34.9	Very low	118 Å²	118	128.5 Å²	128.5	52%	0.518	59%	0.586	S	S	.	*	H	α-helix	trans	-60.3	-46.3	173.3	-177	-99.1	0	0	0	112	K65 Y66 F72 L73	K65-F69 VanDerWaalsContact O-CB 3.27Å; K65-F69 WeakPolarHBondContact O-CB 3.41Å; K65-F69 PolarHBondContact O-N 3.43Å; Y66-F69 PolarHBondContact O-N 2.83Å; F69-F72 PolarHBondContact O-N 3.38Å; F69-L73 HydrophobicContact CE1-CD1 4.26Å; F69-L73 HydrophobicContact CZ-CD1 4.14Å; F69-L73 WeakPolarHBondContact O-CB 3.23Å; F69-L73 PolarHBondContact O-N 3.21Å
70	F	35.3	Very low	35.3	Very low	136 Å²	136	127 Å²	127	60%	0.596	58%	0.579	S	S	*	*	H	α-helix	trans	-64.2	-40.3	176.3	-88.6	-70.5	0	0	0	113	Y66 L73 Y74	Y66-F70 WeakPolarHBondContact O-CD2 3.44Å; Y66-F70 PolarHBondContact O-N 3.05Å; F70-L73 PolarHBondContact O-N 3.31Å; F70-Y74 WeakPolarHBondContact O-CB 3.06Å; F70-Y74 PolarHBondContact O-N 2.95Å
71	L	36.9	Very low	35.4	Very low	114 Å²	114	126.2 Å²	126.2	60%	0.597	57%	0.574	S	S	*	*	H	α-helix	trans	-66	-41.2	177.4	-154.1	80	0	0	0	111.7	K67 T68 Y74 N75	K67-L71 PolarHBondContact O-N 3.3Å; K67-L71 VanDerWaalsContact O-N 3.07Å; T68-L71 PolarHBondContact O-N 3.1Å; L71-Y74 PolarHBondContact O-N 3.27Å; L71-N75 PolarHBondContact O-N 2.99Å
72	F	38.4	Very low	35.8	Very low	128 Å²	128	121.6 Å²	121.6	56%	0.561	56%	0.559	S	S	*	*	H	α-helix	trans	-64.8	-41.9	173.5	-176.4	-101.1	0	0	0	111.7	T68 F69 K76	T68-F72 WeakPolarHBondContact O-CB 3.44Å; T68-F72 PolarHBondContact O-N 2.91Å; F69-F72 PolarHBondContact O-N 3.38Å; F72-K76 HydrophobicContact CE1-CD 3.85Å; F72-K76 HydrophobicContact CZ-CD 4.09Å; F72-K76 VanDerWaalsContact O-CB 3.23Å; F72-K76 WeakPolarHBondContact O-CB 3.35Å; F72-K76 PolarHBondContact O-N 3.28Å
73	L	35.3	Very low	36.1	Very low	77 Å²	77	122.3 Å²	122.3	40%	0.403	56%	0.562	S	S	.	*	H	α-helix	trans	-60.6	-50.1	175.7	-150.4	84.1	0	0	0	110.5	F69 F70 N75 K76 T77	F69-L73 HydrophobicContact CE1-CD1 4.26Å; F69-L73 HydrophobicContact CZ-CD1 4.14Å; F69-L73 WeakPolarHBondContact O-CB 3.23Å; F69-L73 PolarHBondContact O-N 3.21Å; F70-L73 PolarHBondContact O-N 3.31Å; L73-N75 PolarHBondContact O-N 2.9Å; L73-K76 CarbonylContact O-C 3.56Å; L73-K76 PolarHBondContact O-N 3.39Å; L73-K76 VanDerWaalsContact O-N 3.15Å; L73-T77 WeakPolarHBondContact O-CG2 3.21Å; L73-T77 PolarHBondContact O-N 3.09Å; L73-T77 PolarHBondContact O-OG1 2.67Å
74	Y	36.1	Very low	36.4	Very low	151 Å²	151	117.7 Å²	117.7	59%	0.592	55%	0.549	S	S	*	.	H	α-helix	trans	-57.6	-47.7	179.4	-179	-102.2	0	0	0	112.4	F70 L71 K76 T77 K78	F70-Y74 WeakPolarHBondContact O-CB 3.06Å; F70-Y74 PolarHBondContact O-N 2.95Å; L71-Y74 PolarHBondContact O-N 3.27Å; Y74-K76 VanDerWaalsContact C-N 3.32Å; Y74-K76 PolarHBondContact O-N 2.89Å; Y74-T77 WeakPolarHBondContact CA-OG1 3.29Å; Y74-T77 PolarHBondContact O-N 2.98Å; Y74-T77 PolarHBondContact O-OG1 2.87Å; Y74-T77 VanDerWaalsContact O-OG1 3.09Å; Y74-K78 WeakPolarHBondContact O-CB 3.49Å; Y74-K78 PolarHBondContact O-N 3.43Å
75	N	41.5	Very low	36.5	Very low	97 Å²	97	119.6 Å²	119.6	52%	0.519	55%	0.553	S	S	.	*	H	α-helix	trans	-65.1	-36.6	177.2	-71.3	-10.5	0	0	0	112	L71 L73	L71-N75 PolarHBondContact O-N 2.99Å; L73-N75 PolarHBondContact O-N 2.9Å
76	K	42.2	Very low	36.6	Very low	138 Å²	138	117.4 Å²	117.4	60%	0.6	55%	0.548	S	S	*	.	H	α-helix	trans	-77.8	-21.6	178.9	-153	171.6	-167.4	175.8	0	113.3	F72 L73 Y74	F72-K76 HydrophobicContact CE1-CD 3.85Å; F72-K76 HydrophobicContact CZ-CD 4.09Å; F72-K76 VanDerWaalsContact O-CB 3.23Å; F72-K76 WeakPolarHBondContact O-CB 3.35Å; F72-K76 PolarHBondContact O-N 3.28Å; L73-K76 CarbonylContact O-C 3.56Å; L73-K76 PolarHBondContact O-N 3.39Å; L73-K76 VanDerWaalsContact O-N 3.15Å; Y74-K76 VanDerWaalsContact C-N 3.32Å; Y74-K76 PolarHBondContact O-N 2.89Å
77	T	35.7	Very low	36.9	Very low	53 Å²	53	114.1 Å²	114.1	33%	0.325	54%	0.544	S	S	.	.	H	α-helix	trans	-89.1	-34.3	172.2	54.4	0	0	0	0	112.8	L73 Y74 H79 K80 I81	L73-T77 WeakPolarHBondContact O-CG2 3.21Å; L73-T77 PolarHBondContact O-N 3.09Å; L73-T77 PolarHBondContact O-OG1 2.67Å; Y74-T77 WeakPolarHBondContact CA-OG1 3.29Å; Y74-T77 PolarHBondContact O-N 2.98Å; Y74-T77 PolarHBondContact O-OG1 2.87Å; Y74-T77 VanDerWaalsContact O-OG1 3.09Å; T77-H79 PolarHBondContact O-N 2.88Å; T77-K80 CarbonylContact O-C 3.52Å; T77-K80 WeakPolarHBondContact O-CA 3.16Å; T77-K80 WeakPolarHBondContact O-CB 3.29Å; T77-K80 PolarHBondContact O-N 2.99Å; T77-I81 WeakPolarHBondContact O-CG1 3.28Å; T77-I81 PolarHBondContact O-N 3.05Å
78	K	36.5	Very low	36.9	Very low	101 Å²	101	111.1 Å²	111.1	44%	0.439	54%	0.535	S	S	.	.	H	α-helix	trans	-50.6	-56	179.6	178.4	173.9	172.3	179.1	0	112	Y74 K80 I81 E82	Y74-K78 WeakPolarHBondContact O-CB 3.49Å; Y74-K78 PolarHBondContact O-N 3.43Å; K78-K80 VanDerWaalsContact C-N 3.27Å; K78-K80 PolarHBondContact O-N 2.89Å; K78-I81 PolarHBondContact O-N 3.09Å; K78-I81 VanDerWaalsContact O-N 3.12Å; K78-E82 WeakPolarHBondContact CE-OE1 3.45Å; K78-E82 HydrophobicContact CG-CG 4.42Å; K78-E82 WeakPolarHBondContact CG-OE1 3.29Å; K78-E82 IonicContact NZ-OE1 3.87Å; K78-E82 WeakPolarHBondContact O-CG 3.46Å; K78-E82 PolarHBondContact O-N 2.87Å
79	H	38.4	Very low	36.7	Very low	141 Å²	141	113 Å²	113	65%	0.653	54%	0.537	S	S	*	.	H	α-helix	trans	-65.1	-23.8	176.3	-82.3	-27	0	0	0	114.7	T77 E82 K83	T77-H79 PolarHBondContact O-N 2.88Å; H79-E82 IonicContact CE1-OE2 3.74Å; H79-E82 IonicContact CG-OE2 3.87Å; H79-E82 IonicContact ND1-OE2 2.86Å; H79-E82 PolarHBondContact ND1-OE2 3.28Å; H79-K83 WeakPolarHBondContact O-CB 3.44Å; H79-K83 PolarHBondContact O-N 3.34Å
80	K	38	Very low	36.8	Very low	156 Å²	156	113 Å²	113	68%	0.678	54%	0.542	S	S	*	.	H	α-helix	trans	-72.4	-47.8	169.8	-85.4	-170.6	171.3	-171.9	0	110.7	T77 K78 K83 T84	T77-K80 CarbonylContact O-C 3.52Å; T77-K80 WeakPolarHBondContact O-CA 3.16Å; T77-K80 WeakPolarHBondContact O-CB 3.29Å; T77-K80 PolarHBondContact O-N 2.99Å; K78-K80 VanDerWaalsContact C-N 3.27Å; K78-K80 PolarHBondContact O-N 2.89Å; K80-K83 PolarHBondContact O-N 3.37Å; K80-T84 PolarHBondContact O-N 3.19Å; K80-T84 PolarHBondContact O-OG1 2.76Å
81	I	32.8	Very low	36.8	Very low	100 Å²	100	111.6 Å²	111.6	51%	0.513	54%	0.537	S	S	.	.	H	α-helix	trans	-59.3	-53.8	-179	-67.9	163.3	0	0	0	110	T77 K78 K83 T84 F85	T77-I81 WeakPolarHBondContact O-CG1 3.28Å; T77-I81 PolarHBondContact O-N 3.05Å; K78-I81 PolarHBondContact O-N 3.09Å; K78-I81 VanDerWaalsContact O-N 3.12Å; I81-K83 VanDerWaalsContact C-N 3.31Å; I81-K83 PolarHBondContact O-N 3.05Å; I81-T84 WeakPolarHBondContact CA-OG1 3.43Å; I81-T84 PolarHBondContact O-N 3.4Å; I81-T84 PolarHBondContact O-OG1 2.74Å; I81-F85 WeakPolarHBondContact O-CB 3.32Å; I81-F85 PolarHBondContact O-N 3.31Å
82	E	36.9	Very low	36.6	Very low	77 Å²	77	110.7 Å²	110.7	36%	0.36	53%	0.533	S	S	.	.	H	α-helix	trans	-53	-47.3	175.3	-69.5	166.4	162.1	0	0	111.7	K78 H79 F85 N86	K78-E82 WeakPolarHBondContact CE-OE1 3.45Å; K78-E82 HydrophobicContact CG-CG 4.42Å; K78-E82 WeakPolarHBondContact CG-OE1 3.29Å; K78-E82 IonicContact NZ-OE1 3.87Å; K78-E82 WeakPolarHBondContact O-CG 3.46Å; K78-E82 PolarHBondContact O-N 2.87Å; H79-E82 IonicContact CE1-OE2 3.74Å; H79-E82 IonicContact CG-OE2 3.87Å; H79-E82 IonicContact ND1-OE2 2.86Å; H79-E82 PolarHBondContact ND1-OE2 3.28Å; E82-F85 PolarHBondContact O-N 3.06Å; E82-N86 PolarHBondContact O-N 3.43Å
83	K	38.1	Very low	36.4	Very low	155 Å²	155	112.2 Å²	112.2	67%	0.674	54%	0.54	S	S	*	.	H	α-helix	trans	-68.4	-38.3	-179.3	-165.1	165.3	-170.7	168.7	0	112.2	H79 K80 I81 T87	H79-K83 WeakPolarHBondContact O-CB 3.44Å; H79-K83 PolarHBondContact O-N 3.34Å; K80-K83 PolarHBondContact O-N 3.37Å; I81-K83 VanDerWaalsContact C-N 3.31Å; I81-K83 PolarHBondContact O-N 3.05Å; K83-T87 VanDerWaalsContact O-CB 3.3Å; K83-T87 WeakPolarHBondContact O-CB 3.43Å; K83-T87 PolarHBondContact O-N 3.14Å; K83-T87 PolarHBondContact O-OG1 3.48Å
84	T	39.3	Very low	36.4	Very low	77 Å²	77	113.2 Å²	113.2	47%	0.472	54%	0.543	S	S	.	.	H	α-helix	trans	-66.7	-39.3	171.9	40.9	0	0	0	0	112.4	K80 I81 T87 I88	K80-T84 PolarHBondContact O-N 3.19Å; K80-T84 PolarHBondContact O-OG1 2.76Å; I81-T84 WeakPolarHBondContact CA-OG1 3.43Å; I81-T84 PolarHBondContact O-N 3.4Å; I81-T84 PolarHBondContact O-OG1 2.74Å; T84-T87 PolarHBondContact O-N 2.93Å; T84-I88 WeakPolarHBondContact O-CB 3.47Å; T84-I88 WeakPolarHBondContact O-CD1 2.97Å; T84-I88 VanDerWaalsContact O-CG1 3.22Å; T84-I88 WeakPolarHBondContact O-CG1 3.19Å; T84-I88 PolarHBondContact O-N 2.78Å
85	F	32	Very low	36.2	Very low	141 Å²	141	109.5 Å²	109.5	62%	0.618	53%	0.532	S	S	*	.	H	α-helix	trans	-63.3	-48.5	179.9	-148.6	-88.9	0	0	0	110.5	I81 E82 T87 I88 Q89	I81-F85 WeakPolarHBondContact O-CB 3.32Å; I81-F85 PolarHBondContact O-N 3.31Å; E82-F85 PolarHBondContact O-N 3.06Å; F85-T87 VanDerWaalsContact C-N 3.34Å; F85-T87 PolarHBondContact O-N 3.41Å; F85-I88 PolarHBondContact O-N 3.39Å; F85-Q89 PolarHBondContact O-N 3.42Å
86	N	37.1	Very low	35.6	Very low	103 Å²	103	111 Å²	111	55%	0.551	54%	0.538	S	S	*	.	H	α-helix	trans	-62.4	-38.7	173.9	-68.4	-3.7	0	0	0	112	E82 Q89 L90	E82-N86 PolarHBondContact O-N 3.43Å; N86-Q89 PolarHBondContact O-N 3.37Å; N86-L90 WeakPolarHBondContact O-CB 3.29Å; N86-L90 PolarHBondContact O-N 3.13Å
87	T	37.7	Very low	35	Very low	84 Å²	84	108.8 Å²	108.8	52%	0.515	54%	0.535	S	S	.	.	H	α-helix	trans	-67.8	-37.3	177.3	-55.1	0	0	0	0	112	K83 T84 F85 L90 H91	K83-T87 VanDerWaalsContact O-CB 3.3Å; K83-T87 WeakPolarHBondContact O-CB 3.43Å; K83-T87 PolarHBondContact O-N 3.14Å; K83-T87 PolarHBondContact O-OG1 3.48Å; T84-T87 PolarHBondContact O-N 2.93Å; F85-T87 VanDerWaalsContact C-N 3.34Å; F85-T87 PolarHBondContact O-N 3.41Å; T87-L90 PolarHBondContact O-N 3.15Å; T87-H91 VanDerWaalsContact O-CB 3.25Å; T87-H91 WeakPolarHBondContact O-CB 3.13Å; T87-H91 PolarHBondContact O-N 2.97Å
88	I	34.5	Very low	34.9	Very low	97 Å²	97	112 Å²	112	50%	0.497	55%	0.545	S	S	.	.	H	α-helix	trans	-68.4	-43.6	175.7	-70	161.8	0	0	0	110.3	T84 F85 L90 H91 N92	T84-I88 WeakPolarHBondContact O-CB 3.47Å; T84-I88 WeakPolarHBondContact O-CD1 2.97Å; T84-I88 VanDerWaalsContact O-CG1 3.22Å; T84-I88 WeakPolarHBondContact O-CG1 3.19Å; T84-I88 PolarHBondContact O-N 2.78Å; F85-I88 PolarHBondContact O-N 3.39Å; I88-L90 VanDerWaalsContact C-N 3.3Å; I88-L90 PolarHBondContact O-N 3.46Å; I88-H91 PolarHBondContact O-N 2.81Å; I88-N92 WeakPolarHBondContact O-CB 3.22Å; I88-N92 VanDerWaalsContact O-CG 3.31Å; I88-N92 PolarHBondContact O-N 3.5Å; I88-N92 PolarHBondContact O-OD1 3.48Å
89	Q	33	Very low	34.7	Very low	129 Å²	129	112.4 Å²	112.4	60%	0.603	55%	0.548	S	S	*	.	H	α-helix	trans	-57.5	-43.9	174	-123	-177.4	5.2	0	0	111.8	F85 N86 K93	F85-Q89 PolarHBondContact O-N 3.42Å; N86-Q89 PolarHBondContact O-N 3.37Å; Q89-K93 PolarHBondContact O-N 3.33Å; Q89-K93 VanDerWaalsContact O-N 3.14Å
90	L	36.6	Very low	34.3	Very low	118 Å²	118	109.6 Å²	109.6	62%	0.618	54%	0.541	S	S	*	.	H	α-helix	trans	-71.5	-36.6	179	-147.1	157.7	0	0	0	111.6	N86 T87 I88 K93 M94	N86-L90 WeakPolarHBondContact O-CB 3.29Å; N86-L90 PolarHBondContact O-N 3.13Å; T87-L90 PolarHBondContact O-N 3.15Å; I88-L90 VanDerWaalsContact C-N 3.3Å; I88-L90 PolarHBondContact O-N 3.46Å; L90-K93 PolarHBondContact O-N 3.4Å; L90-M94 WeakPolarHBondContact O-CB 3.31Å; L90-M94 PolarHBondContact O-N 2.86Å
91	H	35.3	Very low	34	Very low	106 Å²	106	106.6 Å²	106.6	49%	0.491	53%	0.533	S	S	.	.	H	α-helix	trans	-67	-44.3	175.8	-167.8	37.9	0	0	0	111.9	T87 I88 K93 M94 M95	T87-H91 VanDerWaalsContact O-CB 3.25Å; T87-H91 WeakPolarHBondContact O-CB 3.13Å; T87-H91 PolarHBondContact O-N 2.97Å; I88-H91 PolarHBondContact O-N 2.81Å; H91-K93 VanDerWaalsContact C-N 3.34Å; H91-K93 PolarHBondContact O-N 3.37Å; H91-M94 CarbonylContact O-C 3.58Å; H91-M94 WeakPolarHBondContact O-CA 3.34Å; H91-M94 PolarHBondContact O-N 3.23Å; H91-M95 WeakPolarHBondContact O-CG 3.23Å; H91-M95 PolarHBondContact O-N 3.26Å
92	N	33.6	Very low	34	Very low	96 Å²	96	110.1 Å²	110.1	51%	0.513	54%	0.541	S	S	.	.	H	α-helix	trans	-62.7	-41	176.4	-69	6.9	0	0	0	111.3	I88 M94 M95 M96	I88-N92 WeakPolarHBondContact O-CB 3.22Å; I88-N92 VanDerWaalsContact O-CG 3.31Å; I88-N92 PolarHBondContact O-N 3.5Å; I88-N92 PolarHBondContact O-OD1 3.48Å; N92-M94 VanDerWaalsContact C-N 3.26Å; N92-M94 PolarHBondContact O-N 3.01Å; N92-M95 PolarHBondContact O-N 2.92Å; N92-M96 PolarHBondContact O-N 3.4Å
93	K	34.5	Very low	33.8	Very low	160 Å²	160	112.4 Å²	112.4	70%	0.696	56%	0.555	S	S	*	*	H	α-helix	trans	-58.2	-38.4	170.6	-117	-178	178	-177.9	0	112.4	Q89 L90 H91 V97	Q89-K93 PolarHBondContact O-N 3.33Å; Q89-K93 VanDerWaalsContact O-N 3.14Å; L90-K93 PolarHBondContact O-N 3.4Å; H91-K93 VanDerWaalsContact C-N 3.34Å; H91-K93 PolarHBondContact O-N 3.37Å; K93-V97 WeakPolarHBondContact O-CG2 3.49Å
94	M	34.8	Very low	33.3	Very low	97 Å²	97	112 Å²	112	48%	0.478	55%	0.553	S	S	.	*	H	α-helix	trans	-81.8	-20.1	-178.4	-171	176.3	155.4	0	0	113.8	L90 H91 N92 K98	L90-M94 WeakPolarHBondContact O-CB 3.31Å; L90-M94 PolarHBondContact O-N 2.86Å; H91-M94 CarbonylContact O-C 3.58Å; H91-M94 WeakPolarHBondContact O-CA 3.34Å; H91-M94 PolarHBondContact O-N 3.23Å; N92-M94 VanDerWaalsContact C-N 3.26Å; N92-M94 PolarHBondContact O-N 3.01Å; M94-K98 WeakPolarHBondContact O-CG 3.23Å; M94-K98 PolarHBondContact O-N 3.09Å
95	M	32.2	Very low	33	Very low	74 Å²	74	113 Å²	113	37%	0.365	56%	0.556	S	S	.	*	H	α-helix	trans	-77.6	-44.7	173.3	-71.4	-66	-72.3	0	0	111.5	H91 N92 V97 K98 E99	H91-M95 WeakPolarHBondContact O-CG 3.23Å; H91-M95 PolarHBondContact O-N 3.26Å; N92-M95 PolarHBondContact O-N 2.92Å; M95-V97 PolarHBondContact O-N 2.89Å; M95-K98 WeakPolarHBondContact O-CA 3.19Å; M95-K98 WeakPolarHBondContact O-CB 3.35Å; M95-K98 PolarHBondContact O-N 3.03Å; M95-E99 PolarHBondContact O-N 3.04Å
96	M	27.6	Very low	33.2	Very low	129 Å²	129	111.4 Å²	111.4	64%	0.635	55%	0.554	S	S	*	*	H	α-helix	trans	-61.8	-28.8	174.2	-67.3	-158.6	-64.5	0	0	113	N92 K98 T100	N92-M96 PolarHBondContact O-N 3.4Å; M96-K98 VanDerWaalsContact C-N 3.32Å; M96-T100 WeakPolarHBondContact O-CG2 3.5Å; M96-T100 PolarHBondContact O-OG1 2.91Å
97	V	31	Very low	33	Very low	90 Å²	90	113.1 Å²	113.1	55%	0.545	56%	0.558	S	S	.	*	H	α-helix	trans	-76.3	-17.4	172.2	173.7	0	0	0	0	112.5	K93 M95 T100 N101	K93-V97 WeakPolarHBondContact O-CG2 3.49Å; M95-V97 PolarHBondContact O-N 2.89Å; V97-T100 PolarHBondContact O-OG1 3.43Å; V97-N101 PolarHBondContact O-ND2 3.49Å
98	K	32.7	Very low	32.7	Very low	120 Å²	120	114.6 Å²	114.6	52%	0.522	56%	0.562	S	S	.	*	H	α-helix	trans	-90.5	-38.9	175.3	-81.5	-176.4	172.7	-168.4	0	113.4	M94 M95 M96 N101 Y102	M94-K98 WeakPolarHBondContact O-CG 3.23Å; M94-K98 PolarHBondContact O-N 3.09Å; M95-K98 WeakPolarHBondContact O-CA 3.19Å; M95-K98 WeakPolarHBondContact O-CB 3.35Å; M95-K98 PolarHBondContact O-N 3.03Å; M96-K98 VanDerWaalsContact C-N 3.32Å; K98-N101 CarbonylContact O-C 3.47Å; K98-N101 PolarHBondContact O-N 2.97Å; K98-Y102 PolarHBondContact O-N 2.92Å
99	E	33.4	Very low	32.6	Very low	111 Å²	111	117.3 Å²	117.3	52%	0.519	58%	0.577	S	S	.	*	H	α-helix	trans	-66.3	-41.3	179.8	-71.5	163.5	164.2	0	0	111.1	M95 N101 Y102 L103	M95-E99 PolarHBondContact O-N 3.04Å; E99-N101 VanDerWaalsContact C-N 3.32Å; E99-N101 PolarHBondContact O-N 2.98Å; E99-Y102 PolarHBondContact O-N 3.35Å; E99-Y102 VanDerWaalsContact O-N 3.12Å; E99-L103 PolarHBondContact O-N 3.48Å; E99-L103 VanDerWaalsContact O-N 3.14Å
100	T	29.3	Very low	32.4	Very low	82 Å²	82	115.4 Å²	115.4	50%	0.503	58%	0.578	S	S	.	*	H	α-helix	trans	-58.7	-38.7	170.6	44.8	0	0	0	0	113.1	M96 V97 F104	M96-T100 WeakPolarHBondContact O-CG2 3.5Å; M96-T100 PolarHBondContact O-OG1 2.91Å; V97-T100 PolarHBondContact O-OG1 3.43Å; T100-F104 PolarHBondContact O-N 3.17Å
101	N	32.1	Very low	32	Very low	93 Å²	93	116.4 Å²	116.4	50%	0.497	58%	0.583	S	S	.	*	H	α-helix	trans	-78.2	-20.5	175.4	-84	-81.3	0	0	0	113.8	V97 K98 E99 N105	V97-N101 PolarHBondContact O-ND2 3.49Å; K98-N101 CarbonylContact O-C 3.47Å; K98-N101 PolarHBondContact O-N 2.97Å; E99-N101 VanDerWaalsContact C-N 3.32Å; E99-N101 PolarHBondContact O-N 2.98Å; N101-N105 PolarHBondContact O-ND2 2.9Å
102	Y	32.8	Very low	31.7	Very low	173 Å²	173	115.7 Å²	115.7	68%	0.678	59%	0.59	S	S	*	*	H	α-helix	trans	-79.7	-38.4	177.8	-131.1	-93.9	0	0	0	111.7	K98 E99 N105 N106	K98-Y102 PolarHBondContact O-N 2.92Å; E99-Y102 PolarHBondContact O-N 3.35Å; E99-Y102 VanDerWaalsContact O-N 3.12Å; Y102-N105 PolarHBondContact O-N 2.86Å; Y102-N106 PolarHBondContact O-N 3.19Å
103	L	31.5	Very low	31.3	Very low	125 Å²	125	118.8 Å²	118.8	65%	0.654	61%	0.605	S	S	*	*	H	α-helix	trans	-58.6	-48.7	171.4	-70.6	163.9	0	0	0	110.7	E99 N105 N106	E99-L103 PolarHBondContact O-N 3.48Å; E99-L103 VanDerWaalsContact O-N 3.14Å; L103-N105 PolarHBondContact O-N 2.97Å; L103-N105 VanDerWaalsContact O-N 3.07Å; L103-N106 PolarHBondContact O-N 2.9Å
104	F	28.1	Very low	30.9	Very low	147 Å²	147	116.6 Å²	116.6	65%	0.645	61%	0.607	S	S	*	*	H	α-helix	trans	-63.7	-12.8	-178.6	-115.7	-79.1	0	0	0	116.3	T100	T100-F104 PolarHBondContact O-N 3.17Å
105	N	33.7	Very low	30.4	Very low	99 Å²	99	118.1 Å²	118.1	53%	0.529	62%	0.622	S	S	.	*	H	α-helix	trans	-98.5	-27.9	176.5	-79.9	-89.8	0	0	0	112.6	N101 Y102 L103 E107 I108	N101-N105 PolarHBondContact O-ND2 2.9Å; Y102-N105 PolarHBondContact O-N 2.86Å; L103-N105 PolarHBondContact O-N 2.97Å; L103-N105 VanDerWaalsContact O-N 3.07Å; N105-E107 VanDerWaalsContact C-N 3.29Å; N105-E107 PolarHBondContact O-N 2.94Å; N105-I108 PolarHBondContact O-N 3.32Å
106	N	36.7	Very low	30.2	Very low	107 Å²	107	124.1 Å²	124.1	57%	0.572	65%	0.649	S	S	*	*	H	α-helix	trans	-75	-17.6	-179.2	-72.9	-0.7	0	0	0	113.2	Y102 L103 I108	Y102-N106 PolarHBondContact O-N 3.19Å; L103-N106 PolarHBondContact O-N 2.9Å; N106-I108 VanDerWaalsContact C-N 3.32Å
107	E	32	Very low	30.1	Very low	138 Å²	138	127.1 Å²	127.1	65%	0.645	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-5.5	175.5	-63.5	-179.1	146.5	0	0	113.5	N105 S110	N105-E107 VanDerWaalsContact C-N 3.29Å; N105-E107 PolarHBondContact O-N 2.94Å; E107-S110 PolarHBondContact O-OG 3.37Å
108	I	32.1	Very low	29.9	Very low	116 Å²	116	126 Å²	126	60%	0.595	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.9	-30	-177.3	-62.1	177.1	0	0	0	112	N105 N106 S110	N105-I108 PolarHBondContact O-N 3.32Å; N106-I108 VanDerWaalsContact C-N 3.32Å; I108-S110 PolarHBondContact O-N 2.98Å
109	D	31.9	Very low	29.5	Very low	154 Å²	154	127.6 Å²	127.6	82%	0.824	69%	0.685	S	S	*	*	S	Bend	trans	-73.5	-7.1	174.1	-78	-23.4	0	0	0	112.9	L111	D109-L111 PolarHBondContact O-N 3.31Å
110	S	28.8	Very low	29.3	Very low	88 Å²	88	129.4 Å²	129.4	62%	0.615	70%	0.698	S	S	*	*			trans	-92.7	45.3	-179.4	50.4	0	0	0	0	114.5	E107 I108	E107-S110 PolarHBondContact O-OG 3.37Å; I108-S110 PolarHBondContact O-N 2.98Å
111	L	27.5	Very low	29.2	Very low	139 Å²	139	131.8 Å²	131.8	73%	0.728	71%	0.707	S	S	*	*			trans	-130.9	95.5	175.3	-94.8	165.7	0	0	0	113.9	D109	D109-L111 PolarHBondContact O-N 3.31Å
112	S	28.4	Very low	28.9	Very low	91 Å²	91	134.4 Å²	134.4	64%	0.636	72%	0.721	S	S	*	*			trans	59.6	107.2	145.4	51.8	0	0	0	0	119.3
113	I	25.7	Very low	28.8	Very low	162 Å²	162	134.1 Å²	134.1	83%	0.831	73%	0.73	S	S	*	*				90.5	134.6	79.5	-80.7	159.4	0	0	0	113
114	P	26.1	Very low	28.5	Very low	114 Å²	114	136 Å²	136	74%	0.74	74%	0.735	S	S	*	*			cis	-132.4	-168.5	-26.3	40	-21.7	0	0	0	113
115	T	24.4	Very low	28.6	Very low	129 Å²	129	136.8 Å²	136.8	79%	0.791	74%	0.741	S	S	*	*			trans	-78.7	148.6	167.3	43.2	0	0	0	0	113.4
116	Q	28.8	Very low	28.4	Very low	199 Å²	199	138.6 Å²	138.6	93%	0.93	75%	0.749	S	S	*	*			trans	-162.2	155.6	132	-110.3	165.3	24.4	0	0	112.1
117	M	25.5	Very low	28	Very low	192 Å²	192	141.4 Å²	141.4	95%	0.946	76%	0.758	S	S	*	*			trans	-111.8	149.1	178.1	-67	163.6	76	0	0	109.3
118	G	25.7	Very low	27.8	Very low	66 Å²	66	139.2 Å²	139.2	68%	0.68	75%	0.751	S	S	*	*			trans	130.7	92.3	153.4	0	0	0	0	0	117.7
119	N	25.9	Very low	27.7	Very low	155 Å²	155	142 Å²	142	83%	0.829	77%	0.767	S	S	*	*			trans	62.8	164.8	140.5	-60.9	-1.8	0	0	0	121.7
120	L	28.1	Very low	27.5	Very low	149 Å²	149	142.4 Å²	142.4	78%	0.78	76%	0.761	S	S	*	*			trans	72	88.4	161.7	-68.5	154.2	0	0	0	117.5
121	D	27.2	Very low	27.5	Very low	132 Å²	132	150 Å²	150	71%	0.706	78%	0.777	S	S	*	*				46.4	129.5	115	-55.7	-7.5	0	0	0	120.7
122	N	26.8	Very low	27.3	Very low	147 Å²	147	149.3 Å²	149.3	79%	0.786	78%	0.782	S	S	*	*			trans	56.9	104.9	149	-56.1	-26.4	0	0	0	118.2
123	I	30.4	Very low	27.2	Very low	167 Å²	167	155 Å²	155	86%	0.856	80%	0.795	S	S	*	*				-169	154.8	101.2	-96.7	156.4	0	0	0	110.3
124	E	25.5	Very low	27.3	Very low	164 Å²	164	153.2 Å²	153.2	77%	0.766	79%	0.792	S	S	*	*			trans	-72	146.4	176.7	-56.1	169.2	114.5	0	0	111.6
125	H	29.9	Very low	27.4	Very low	165 Å²	165	158.8 Å²	158.8	76%	0.764	80%	0.8	S	S	*	*			trans	166.7	111.9	139.2	-84.9	-31.8	0	0	0	109.6
126	I	29.6	Very low	27.4	Very low	137 Å²	137	160.7 Å²	160.7	70%	0.703	80%	0.804	S	S	*	*				95	108.8	88.6	-81.4	-179.2	0	0	0	113.1
127	H	27.7	Very low	27.4	Very low	165 Å²	165	161 Å²	161	76%	0.764	80%	0.802	S	S	*	*			trans	70.4	144.9	148.8	-87.5	-87.6	0	0	0	124.8
128	D	27.7	Very low	27.4	Very low	93 Å²	93	160.2 Å²	160.2	50%	0.497	80%	0.796	S	S	.	*			trans	52.1	93.9	150.5	-76.7	34.3	0	0	0	119.9	K130	D128-K130 WeakPolarHBondContact OD2-CE 3.39Å; D128-K130 IonicContact OD2-NZ 2.72Å; D128-K130 PolarHBondContact OD2-NZ 3.47Å
129	N	30	Very low	27.6	Very low	173 Å²	173	163.1 Å²	163.1	93%	0.925	80%	0.797	S	S	*	*				-136.3	131.3	124.4	-134.3	-43	0	0	0	113.1
130	K	28.4	Very low	27.6	Very low	163 Å²	163	163 Å²	163	71%	0.709	79%	0.793	S	S	*	*			trans	-98.3	100.7	-161.2	-71	164.9	179.7	134	0	111.8	D128	D128-K130 WeakPolarHBondContact OD2-CE 3.39Å; D128-K130 IonicContact OD2-NZ 2.72Å; D128-K130 PolarHBondContact OD2-NZ 3.47Å
131	R	27.9	Very low	27.6	Very low	249 Å²	249	160.9 Å²	160.9	94%	0.94	79%	0.786	S	S	*	*			trans	-148.2	38.3	169.4	-117	168.1	-165.7	-171.5	3.5	117.4
132	C	24.3	Very low	27.5	Very low	124 Å²	124	162 Å²	162	84%	0.838	79%	0.792	S	S	*	*			trans	-134.3	108	163.8	-69.1	0	0	0	0	111.7
133	K	26.4	Very low	27.6	Very low	209 Å²	209	160.5 Å²	160.5	91%	0.909	79%	0.793	S	S	*	*			trans	171.5	84	152.9	-98.6	162.6	-177.5	176.8	0	112.2
134	T	27	Very low	27.4	Very low	126 Å²	126	159.8 Å²	159.8	77%	0.773	79%	0.791	S	S	*	*	S	Bend	trans	-157.2	159.7	156.8	18.7	0	0	0	0	108.3
135	Y	28.4	Very low	27.5	Very low	231 Å²	231	157.2 Å²	157.2	91%	0.906	79%	0.791	S	S	*	*	S	Bend	trans	62.7	52.1	-174.8	-57.7	-71.8	0	0	0	115.8
136	L	25.4	Very low	27.3	Very low	169 Å²	169	156.9 Å²	156.9	89%	0.885	79%	0.79	S	S	*	*			trans	-145.3	73.2	163.1	-128.7	-178.3	0	0	0	111.7
137	K	26.8	Very low	27.1	Very low	204 Å²	204	156.1 Å²	156.1	89%	0.887	79%	0.787	S	S	*	*			trans	-175.1	175.7	161.3	-107.8	169.5	-176.5	-173.7	0	109
138	E	27.1	Very low	27	Very low	176 Å²	176	155.6 Å²	155.6	82%	0.822	79%	0.789	S	S	*	*			trans	69.6	118.1	-169.9	-61.4	175.2	-148.8	0	0	113
139	N	28.3	Very low	26.9	Very low	128 Å²	128	156.2 Å²	156.2	68%	0.684	80%	0.801	S	S	*	*			cis	-142.2	142.4	5.3	-87.2	-43.6	0	0	0	113
140	M	27.3	Very low	26.6	Very low	151 Å²	151	154.8 Å²	154.8	74%	0.744	79%	0.793	S	S	*	*			trans	36.7	112.2	150.3	-41.8	-45.2	-88	0	0	118.2
141	T	27.3	Very low	26.4	Very low	105 Å²	105	154.1 Å²	154.1	64%	0.644	80%	0.798	S	S	*	*				68.5	156	67.7	71	0	0	0	0	115.1
142	D	25.6	Very low	26.2	Very low	156 Å²	156	150.6 Å²	150.6	83%	0.834	79%	0.791	S	S	*	*			trans	82.8	129.4	178.4	-53.4	-1.3	0	0	0	115.4
143	S	29.8	Very low	26.3	Very low	116 Å²	116	149.8 Å²	149.8	81%	0.811	79%	0.787	S	S	*	*			cis	-151.1	176.4	-4.3	58.3	0	0	0	0	112.5
144	N	24.5	Very low	26.4	Very low	152 Å²	152	147.3 Å²	147.3	81%	0.813	78%	0.783	S	S	*	*			trans	-89.6	139.7	-161.8	-57.2	-36.7	0	0	0	115.4
145	S	28.5	Very low	26.3	Very low	110 Å²	110	149.4 Å²	149.4	77%	0.769	78%	0.784	S	S	*	*			trans	-166.3	127.7	139.5	-3.6	0	0	0	0	107.2
146	H	26.4	Very low	26.1	Very low	157 Å²	157	143.8 Å²	143.8	73%	0.727	78%	0.779	S	S	*	*				57.1	121.4	70.3	-71.2	-77.6	0	0	0	111.9
147	D	25.2	Very low	26.1	Very low	122 Å²	122	143 Å²	143	65%	0.652	77%	0.773	S	S	*	*			cis	-153.7	169.2	17.8	-103.5	-37.1	0	0	0	115
148	L	24.8	Very low	26.1	Very low	153 Å²	153	138.7 Å²	138.7	80%	0.801	76%	0.76	S	S	*	*			trans	35.5	141.7	140.4	-61.4	166	0	0	0	120.6
149	S	25.3	Very low	26	Very low	107 Å²	107	135.9 Å²	135.9	75%	0.748	76%	0.76	S	S	*	*			cis	-162	179.4	1.3	47.1	0	0	0	0	111.5
150	N	23.7	Very low	25.8	Very low	143 Å²	143	136.3 Å²	136.3	77%	0.765	76%	0.761	S	S	*	*			trans	-64.9	155.5	-177.1	-56.2	-44.1	0	0	0	113.7
151	N	25.4	Very low	25.6	Very low	149 Å²	149	135.4 Å²	135.4	80%	0.797	75%	0.751	S	S	*	*				-161.6	150.4	116.2	-100.2	-26.1	0	0	0	114.5
152	H	23.7	Very low	25.6	Very low	174 Å²	174	136.7 Å²	136.7	81%	0.806	75%	0.754	S	S	*	*			trans	-45.7	137.1	-170.7	-54.5	-95.2	0	0	0	118.1
153	S	26.1	Very low	25.7	Very low	107 Å²	107	133.3 Å²	133.3	75%	0.748	74%	0.743	S	S	*	*				-169.9	139.7	129.8	51.9	0	0	0	0	112.4
154	L	27.4	Very low	25.7	Very low	158 Å²	158	129.5 Å²	129.5	83%	0.827	72%	0.721	S	S	*	*			trans	50	78.5	156	-61.5	165	0	0	0	115.9
155	Q	25.2	Very low	25.8	Very low	169 Å²	169	125.8 Å²	125.8	79%	0.79	71%	0.707	S	S	*	*				42.1	98.8	86	-79.8	179.8	-31.6	0	0	115.2	I157	Q155-I157 PolarHBondContact O-N 2.85Å
156	S	24.8	Very low	26	Very low	114 Å²	114	125 Å²	125	80%	0.797	69%	0.693	S	S	*	*			trans	48.4	70	131.2	61.1	0	0	0	0	119.3
157	I	24.6	Very low	26.3	Very low	151 Å²	151	119.2 Å²	119.2	77%	0.774	67%	0.667	S	S	*	*			trans	-129.3	109.6	149.9	-58.6	-177.4	0	0	0	110.3	Q155	Q155-I157 PolarHBondContact O-N 2.85Å
158	N	26.2	Very low	26.5	Very low	115 Å²	115	119.7 Å²	119.7	62%	0.615	67%	0.665	S	S	*	*			trans	55.9	109.3	156.9	-61.2	-13.8	0	0	0	119.6	L160	N158-L160 HydrophobicContact CB-CD1 4.1Å; N158-L160 PolarHBondContact O-N 3.35Å
159	S	25.8	Very low	27	Very low	116 Å²	116	121.5 Å²	121.5	81%	0.811	66%	0.661	S	S	*	*	S	Bend	trans	-66.8	26.5	172.9	44.9	0	0	0	0	115.9
160	L	24.5	Very low	27.5	Very low	137 Å²	137	118.9 Å²	118.9	72%	0.717	64%	0.636	S	S	*	*			trans	-95.4	1.8	-167.1	-91.4	84.2	0	0	0	116.2	N158 N162	N158-L160 HydrophobicContact CB-CD1 4.1Å; N158-L160 PolarHBondContact O-N 3.35Å; L160-N162 PolarHBondContact O-N 2.91Å
161	Y	23.8	Very low	28.1	Very low	132 Å²	132	114.4 Å²	114.4	52%	0.518	61%	0.61	S	S	.	*			trans	-97.4	21.3	-159.7	-90	-65.4	0	0	0	119	S163 Q272	Y161-S163 VanDerWaalsContact C-N 3.3Å; Y161-S163 PolarHBondContact O-N 2.8Å; Y161-S163 VanDerWaalsContact O-N 3.11Å; Y161-Q272 PolarHBondContact OH-NE2 2.96Å; Y161-Q272 VanDerWaalsContact OH-NE2 3.11Å; Y161-Q272 PolarHBondContact OH-OE1 3.12Å
162	N	27.1	Very low	28.9	Very low	132 Å²	132	110 Å²	110	71%	0.706	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	-13.8	-168.8	-79.7	-41	0	0	0	117.1	L160	L160-N162 PolarHBondContact O-N 2.91Å
163	S	28	Very low	29.8	Very low	86 Å²	86	110.1 Å²	110.1	60%	0.601	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-45.8	178.7	60.3	0	0	0	0	113.2	Y161 C165 I166 I167	Y161-S163 VanDerWaalsContact C-N 3.3Å; Y161-S163 PolarHBondContact O-N 2.8Å; Y161-S163 VanDerWaalsContact O-N 3.11Å; S163-C165 PolarHBondContact O-N 3.22Å; S163-I166 PolarHBondContact O-N 3.41Å; S163-I167 VanDerWaalsContact O-CD1 3.31Å; S163-I167 WeakPolarHBondContact O-CD1 3.16Å
164	G	27.9	Very low	30.6	Very low	35 Å²	35	105.5 Å²	105.5	36%	0.361	55%	0.548	S	S	.	.	H	α-helix	trans	-64.8	-41.2	-173.3	0	0	0	0	0	113.7	I166 I167 H168	G164-I166 PolarHBondContact O-N 3.27Å; G164-I167 PolarHBondContact O-N 3.3Å; G164-I167 VanDerWaalsContact O-N 3.09Å; G164-H168 PolarHBondContact O-N 2.81Å
165	C	27.7	Very low	31.6	Very low	75 Å²	75	105.8 Å²	105.8	51%	0.507	54%	0.538	S	S	.	.	H	α-helix	trans	-59.2	-30.2	178.4	-70.6	0	0	0	0	113.2	S163 R169	S163-C165 PolarHBondContact O-N 3.22Å; C165-R169 VanDerWaalsContact O-CB 3.3Å; C165-R169 WeakPolarHBondContact O-CB 3.15Å; C165-R169 VanDerWaalsContact O-CG 3.27Å; C165-R169 WeakPolarHBondContact O-CG 3.37Å; C165-R169 PolarHBondContact O-N 2.97Å
166	I	32.5	Very low	33	Very low	94 Å²	94	104.8 Å²	104.8	48%	0.482	53%	0.531	S	S	.	.	H	α-helix	trans	-69.1	-43.2	176.8	-62.5	174.9	0	0	0	110.4	S163 G164 K170	S163-I166 PolarHBondContact O-N 3.41Å; G164-I166 PolarHBondContact O-N 3.27Å; I166-K170 HydrophobicContact CG2-CD 4.18Å; I166-K170 WeakPolarHBondContact O-CB 3.47Å; I166-K170 VanDerWaalsContact O-CG 3.29Å; I166-K170 WeakPolarHBondContact O-CG 3.5Å; I166-K170 PolarHBondContact O-N 2.88Å
167	I	31.8	Very low	34.3	Very low	34 Å²	34	103.3 Å²	103.3	17%	0.174	51%	0.508	C	S	.	.	H	α-helix	trans	-67.2	-43.4	176.1	-73.5	83.5	0	0	0	110.2	S163 G164 R169 K170 H171 I275	S163-I167 VanDerWaalsContact O-CD1 3.31Å; S163-I167 WeakPolarHBondContact O-CD1 3.16Å; G164-I167 PolarHBondContact O-N 3.3Å; G164-I167 VanDerWaalsContact O-N 3.09Å; I167-R169 PolarHBondContact O-N 3.05Å; I167-K170 WeakPolarHBondContact O-CB 3.46Å; I167-K170 PolarHBondContact O-N 2.62Å; I167-K170 VanDerWaalsContact O-N 3.14Å; I167-H171 PolarHBondContact O-N 2.82Å; I167-I275 HydrophobicContact CB-CD1 4.22Å; I167-I275 HydrophobicContact CD1-CD1 3.64Å; I167-I275 HydrophobicContact CG1-CD1 3.64Å; I167-I275 HydrophobicContact CG2-CD1 4.39Å
168	H	30.6	Very low	35.4	Very low	132 Å²	132	99.2 Å²	99.2	61%	0.611	49%	0.485	S	S	*	.	H	α-helix	trans	-62.4	-43.5	178.4	-151.7	-111.2	0	0	0	111.8	G164 K170 H171 V172	G164-H168 PolarHBondContact O-N 2.81Å; H168-K170 PolarHBondContact O-N 3.19Å; H168-H171 PolarHBondContact O-N 3.2Å; H168-V172 WeakPolarHBondContact O-CG2 3.36Å; H168-V172 PolarHBondContact O-N 3.45Å
169	R	34.3	Very low	37	Very low	192 Å²	192	101.3 Å²	101.3	73%	0.725	49%	0.489	S	S	*	.	H	α-helix	trans	-61.5	-38.9	172.6	-74.7	175.3	174.6	-175.9	-0.9	112.5	C165 I167 R173	C165-R169 VanDerWaalsContact O-CB 3.3Å; C165-R169 WeakPolarHBondContact O-CB 3.15Å; C165-R169 VanDerWaalsContact O-CG 3.27Å; C165-R169 WeakPolarHBondContact O-CG 3.37Å; C165-R169 PolarHBondContact O-N 2.97Å; I167-R169 PolarHBondContact O-N 3.05Å; R169-R173 WeakPolarHBondContact O-CG 3.14Å; R169-R173 PolarHBondContact O-N 3.11Å
170	K	35.7	Very low	38.6	Very low	51 Å²	51	103.4 Å²	103.4	22%	0.222	48%	0.483	C	S	.	.	H	α-helix	trans	-65.1	-45.6	173.5	-76	172.6	-179.7	179.5	0	112.1	I166 I167 H168 V172 R173 Y174 Y227 F230	I166-K170 HydrophobicContact CG2-CD 4.18Å; I166-K170 WeakPolarHBondContact O-CB 3.47Å; I166-K170 VanDerWaalsContact O-CG 3.29Å; I166-K170 WeakPolarHBondContact O-CG 3.5Å; I166-K170 PolarHBondContact O-N 2.88Å; I167-K170 WeakPolarHBondContact O-CB 3.46Å; I167-K170 PolarHBondContact O-N 2.62Å; I167-K170 VanDerWaalsContact O-N 3.14Å; H168-K170 PolarHBondContact O-N 3.19Å; K170-V172 VanDerWaalsContact C-N 3.33Å; K170-V172 PolarHBondContact O-N 3.01Å; K170-R173 PolarHBondContact O-N 3.13Å; K170-Y174 PolarHBondContact O-N 2.69Å; K170-Y227 HydrophobicContact CG-CD2 4.47Å; K170-Y227 HydrophobicContact CG-CE2 4.43Å; K170-F230 HydrophobicContact CB-CE1 4.29Å
171	H	37.9	Very low	39.8	Very low	50 Å²	50	99.1 Å²	99.1	23%	0.231	46%	0.46	C	S	.	.	H	α-helix	trans	-61.7	-39.5	176.6	-117.3	-53.3	0	0	0	112	I167 H168 Y174 R175	I167-H171 PolarHBondContact O-N 2.82Å; H168-H171 PolarHBondContact O-N 3.2Å; H171-Y174 PolarHBondContact O-N 3.05Å; H171-R175 WeakPolarHBondContact O-CB 3.16Å; H171-R175 VanDerWaalsContact O-CG 3.31Å; H171-R175 WeakPolarHBondContact O-CG 3.44Å; H171-R175 PolarHBondContact O-N 3.1Å
172	V	40.7	Very low	41	Very low	57 Å²	57	99.3 Å²	99.3	35%	0.345	46%	0.464	S	S	.	.	H	α-helix	trans	-65.2	-43.2	173.6	170.3	0	0	0	0	111.4	H168 K170 R175 K176	H168-V172 WeakPolarHBondContact O-CG2 3.36Å; H168-V172 PolarHBondContact O-N 3.45Å; K170-V172 VanDerWaalsContact C-N 3.33Å; K170-V172 PolarHBondContact O-N 3.01Å; V172-R175 PolarHBondContact O-N 3.1Å; V172-K176 HydrophobicContact CG1-CD 4.33Å; V172-K176 WeakPolarHBondContact O-CB 3.05Å; V172-K176 WeakPolarHBondContact O-CG 3.31Å; V172-K176 PolarHBondContact O-N 3.41Å
173	R	43.7	Very low	41.9	Very low	176 Å²	176	102.2 Å²	102.2	66%	0.664	47%	0.465	S	S	*	.	H	α-helix	trans	-60.6	-45.8	173.8	-77.7	-177.1	175.8	-171.4	-0.5	111.6	R169 K170 K176 W177	R169-R173 WeakPolarHBondContact O-CG 3.14Å; R169-R173 PolarHBondContact O-N 3.11Å; K170-R173 PolarHBondContact O-N 3.13Å; R173-K176 PolarHBondContact O-N 3.01Å; R173-W177 WeakPolarHBondContact O-CB 3.19Å; R173-W177 PolarHBondContact O-N 3.47Å
174	Y	42.7	Very low	42.8	Very low	9 Å²	9	105.7 Å²	105.7	4%	0.035	47%	0.47	C	S	.	.	H	α-helix	trans	-62.7	-46	175.7	176.3	-113.3	0	0	0	112.5	K170 H171 K176 W177 K178 L231 Q234 Q240	K170-Y174 PolarHBondContact O-N 2.69Å; H171-Y174 PolarHBondContact O-N 3.05Å; Y174-K176 VanDerWaalsContact C-N 3.33Å; Y174-K176 PolarHBondContact O-N 3.43Å; Y174-W177 AromaticContact CD2-CE3 3.98Å; Y174-W177 HydrophobicContact CD2-CE3 3.98Å; Y174-W177 HydrophobicContact CD2-CZ3 4.37Å; Y174-W177 AromaticContact CE2-CE3 3.95Å; Y174-W177 HydrophobicContact CE2-CE3 3.95Å; Y174-W177 AromaticContact CE2-CZ3 3.94Å; Y174-W177 HydrophobicContact CE2-CZ3 3.94Å; Y174-W177 PolarHBondContact O-N 2.92Å; Y174-K178 HydrophobicContact CE1-CD 4.07Å; Y174-K178 WeakPolarHBondContact O-CB 3.35Å; Y174-K178 PolarHBondContact O-N 3.07Å; Y174-L231 HydrophobicContact CD2-CD2 3.49Å; Y174-L231 VanDerWaalsContact CD2-CD2 3.49Å; Y174-L231 HydrophobicContact CE2-CD2 4.12Å; Y174-L231 HydrophobicContact CG-CD2 4.25Å; Y174-Q234 HydrophobicContact CE1-CG 4.49Å; Y174-Q240 PolarHBondContact OH-OE1 2.93Å
175	R	47.6	Very low	43.4	Very low	164 Å²	164	108.4 Å²	108.4	62%	0.619	47%	0.473	S	S	*	.	H	α-helix	trans	-59.4	-40.4	174.6	-75.7	176.3	174.9	-178.1	0.7	111.8	H171 V172 K179	H171-R175 WeakPolarHBondContact O-CB 3.16Å; H171-R175 VanDerWaalsContact O-CG 3.31Å; H171-R175 WeakPolarHBondContact O-CG 3.44Å; H171-R175 PolarHBondContact O-N 3.1Å; V172-R175 PolarHBondContact O-N 3.1Å; R175-K179 WeakPolarHBondContact O-CB 3.39Å; R175-K179 WeakPolarHBondContact O-CG 3.31Å; R175-K179 PolarHBondContact O-N 3.46Å
176	K	56.1	Low	44.1	Very low	148 Å²	148	112.4 Å²	112.4	64%	0.643	48%	0.482	S	S	*	.	H	α-helix	trans	-65.5	-41.7	173.8	-74.9	-176.8	179.2	-173.1	0	112.1	V172 R173 Y174 K179 K180	V172-K176 HydrophobicContact CG1-CD 4.33Å; V172-K176 WeakPolarHBondContact O-CB 3.05Å; V172-K176 WeakPolarHBondContact O-CG 3.31Å; V172-K176 PolarHBondContact O-N 3.41Å; R173-K176 PolarHBondContact O-N 3.01Å; Y174-K176 VanDerWaalsContact C-N 3.33Å; Y174-K176 PolarHBondContact O-N 3.43Å; K176-K179 PolarHBondContact O-N 3.37Å; K176-K180 PolarHBondContact O-N 2.92Å
177	W	51.9	Low	44.6	Very low	83 Å²	83	112.2 Å²	112.2	31%	0.314	49%	0.485	S	S	.	.	H	α-helix	trans	-65.3	-48	176.6	-179.3	84.3	0	0	0	112.5	R173 Y174 K179 K180 I181 L247	R173-W177 WeakPolarHBondContact O-CB 3.19Å; R173-W177 PolarHBondContact O-N 3.47Å; Y174-W177 AromaticContact CD2-CE3 3.98Å; Y174-W177 HydrophobicContact CD2-CE3 3.98Å; Y174-W177 HydrophobicContact CD2-CZ3 4.37Å; Y174-W177 AromaticContact CE2-CE3 3.95Å; Y174-W177 HydrophobicContact CE2-CE3 3.95Å; Y174-W177 AromaticContact CE2-CZ3 3.94Å; Y174-W177 HydrophobicContact CE2-CZ3 3.94Å; Y174-W177 PolarHBondContact O-N 2.92Å; W177-K179 VanDerWaalsContact C-N 3.32Å; W177-K179 PolarHBondContact O-N 3.19Å; W177-K180 CarbonylContact O-C 3.56Å; W177-K180 WeakPolarHBondContact O-CA 3.48Å; W177-K180 WeakPolarHBondContact O-CB 3.34Å; W177-K180 PolarHBondContact O-N 3.44Å; W177-I181 HydrophobicContact CD2-CD1 3.91Å; W177-I181 VanDerWaalsContact CE2-CD1 3.47Å; W177-I181 HydrophobicContact CE3-CD1 4.13Å; W177-I181 HydrophobicContact CH2-CD1 3.6Å; W177-I181 HydrophobicContact CZ2-CD1 3.33Å; W177-I181 HydrophobicContact CZ3-CD1 3.98Å; W177-I181 PolarHBondContact O-N 3.31Å; W177-L247 HydrophobicContact CH2-CD2 4.03Å; W177-L247 HydrophobicContact CZ2-CD2 4.48Å
178	K	47.3	Very low	44.8	Very low	65 Å²	65	117.8 Å²	117.8	28%	0.283	51%	0.505	S	S	.	.	H	α-helix	trans	-60.1	-38.8	175.7	-172.2	168.9	-179.9	171.6	0	112.2	Y174 I181 K182	Y174-K178 HydrophobicContact CE1-CD 4.07Å; Y174-K178 WeakPolarHBondContact O-CB 3.35Å; Y174-K178 PolarHBondContact O-N 3.07Å; K178-I181 PolarHBondContact O-N 3.44Å; K178-K182 PolarHBondContact O-N 3.5Å
179	K	60.6	Low	45	Very low	159 Å²	159	117 Å²	117	69%	0.691	50%	0.504	S	S	*	.	H	α-helix	trans	-64.6	-39.4	169.9	-77.4	-174.4	176.8	-172.7	0	112.4	R175 K176 W177 R183	R175-K179 WeakPolarHBondContact O-CB 3.39Å; R175-K179 WeakPolarHBondContact O-CG 3.31Å; R175-K179 PolarHBondContact O-N 3.46Å; K176-K179 PolarHBondContact O-N 3.37Å; W177-K179 VanDerWaalsContact C-N 3.32Å; W177-K179 PolarHBondContact O-N 3.19Å; K179-R183 WeakPolarHBondContact O-CB 3.33Å; K179-R183 WeakPolarHBondContact O-CG 3.46Å; K179-R183 PolarHBondContact O-N 3.43Å; K179-R183 VanDerWaalsContact O-N 3.07Å
180	K	58.3	Low	45.3	Very low	160 Å²	160	115.4 Å²	115.4	70%	0.696	50%	0.503	S	S	*	.	H	α-helix	trans	-64.6	-41.8	173.8	-80.7	-168.6	174.2	-171.8	0	112.7	K176 W177 R183 K184	K176-K180 PolarHBondContact O-N 2.92Å; W177-K180 CarbonylContact O-C 3.56Å; W177-K180 WeakPolarHBondContact O-CA 3.48Å; W177-K180 WeakPolarHBondContact O-CB 3.34Å; W177-K180 PolarHBondContact O-N 3.44Å; K180-R183 PolarHBondContact O-N 3.4Å; K180-K184 PolarHBondContact O-N 3.04Å
181	I	49.9	Very low	45.5	Very low	47 Å²	47	116.3 Å²	116.3	24%	0.241	51%	0.513	C	S	.	.	H	α-helix	trans	-67.4	-47.8	177.5	-70.6	-176.4	0	0	0	111.5	W177 K178 R183 K184 Q185	W177-I181 HydrophobicContact CD2-CD1 3.91Å; W177-I181 VanDerWaalsContact CE2-CD1 3.47Å; W177-I181 HydrophobicContact CE3-CD1 4.13Å; W177-I181 HydrophobicContact CH2-CD1 3.6Å; W177-I181 HydrophobicContact CZ2-CD1 3.33Å; W177-I181 HydrophobicContact CZ3-CD1 3.98Å; W177-I181 PolarHBondContact O-N 3.31Å; K178-I181 PolarHBondContact O-N 3.44Å; I181-R183 PolarHBondContact O-N 2.95Å; I181-K184 PolarHBondContact O-N 3.26Å; I181-Q185 HydrophobicContact CG2-CG 4.41Å; I181-Q185 PolarHBondContact O-N 3.04Å
182	K	48.8	Very low	45.5	Very low	136 Å²	136	119.6 Å²	119.6	59%	0.591	53%	0.526	S	S	*	.	H	α-helix	trans	-59.3	-32.3	175	-77.4	-161.1	171.8	-165.8	0	112.7	K178 K186	K178-K182 PolarHBondContact O-N 3.5Å; K182-K186 WeakPolarHBondContact O-CB 3.26Å; K182-K186 PolarHBondContact O-N 3.18Å; K182-K186 VanDerWaalsContact O-N 3.11Å
183	R	46.2	Very low	45.4	Very low	194 Å²	194	121.3 Å²	121.3	73%	0.732	54%	0.537	S	S	*	.	H	α-helix	trans	-65.8	-50.1	170.4	-78.6	-179.8	175.8	-174.8	-2.2	111.8	K179 K180 I181 Q185 K186 T187	K179-R183 WeakPolarHBondContact O-CB 3.33Å; K179-R183 WeakPolarHBondContact O-CG 3.46Å; K179-R183 PolarHBondContact O-N 3.43Å; K179-R183 VanDerWaalsContact O-N 3.07Å; K180-R183 PolarHBondContact O-N 3.4Å; I181-R183 PolarHBondContact O-N 2.95Å; R183-Q185 VanDerWaalsContact C-N 3.35Å; R183-Q185 PolarHBondContact O-N 2.96Å; R183-K186 PolarHBondContact O-N 2.8Å; R183-K186 VanDerWaalsContact O-N 3.14Å; R183-T187 PolarHBondContact O-N 3.07Å; R183-T187 PolarHBondContact O-OG1 3.44Å
184	K	47.7	Very low	45.1	Very low	159 Å²	159	119.5 Å²	119.5	69%	0.691	54%	0.541	S	S	*	.	H	α-helix	trans	-58.5	-41.7	177.4	-79.2	-161.8	171	-162.5	0	113.1	K180 I181 T187 Y188	K180-K184 PolarHBondContact O-N 3.04Å; I181-K184 PolarHBondContact O-N 3.26Å; K184-T187 WeakPolarHBondContact CA-OG1 3.27Å; K184-T187 PolarHBondContact O-N 3.32Å; K184-T187 PolarHBondContact O-OG1 3.48Å; K184-Y188 WeakPolarHBondContact O-CB 3.12Å; K184-Y188 PolarHBondContact O-N 3.06Å
185	Q	39.8	Very low	44.8	Very low	91 Å²	91	125.8 Å²	125.8	43%	0.425	57%	0.57	S	S	.	*	H	α-helix	trans	-63.2	-43.3	174.5	-73.5	174	-45	0	0	111.7	I181 R183 T187 Y188 L189	I181-Q185 HydrophobicContact CG2-CG 4.41Å; I181-Q185 PolarHBondContact O-N 3.04Å; R183-Q185 VanDerWaalsContact C-N 3.35Å; R183-Q185 PolarHBondContact O-N 2.96Å; Q185-T187 PolarHBondContact O-N 2.89Å; Q185-Y188 PolarHBondContact O-N 3.49Å; Q185-L189 WeakPolarHBondContact O-CB 3.42Å; Q185-L189 WeakPolarHBondContact O-CG 3.34Å; Q185-L189 PolarHBondContact O-N 3.38Å
186	K	43	Very low	44	Very low	160 Å²	160	128.7 Å²	128.7	70%	0.696	58%	0.581	S	S	*	*	H	α-helix	trans	-64.4	-36.5	175.8	-81.4	-163.4	171.1	-161.8	0	113.4	K182 R183 K190	K182-K186 WeakPolarHBondContact O-CB 3.26Å; K182-K186 PolarHBondContact O-N 3.18Å; K182-K186 VanDerWaalsContact O-N 3.11Å; R183-K186 PolarHBondContact O-N 2.8Å; R183-K186 VanDerWaalsContact O-N 3.14Å; K186-K190 PolarHBondContact O-N 2.87Å; K186-K190 VanDerWaalsContact O-N 3.09Å
187	T	42.1	Very low	42.7	Very low	89 Å²	89	127.2 Å²	127.2	55%	0.546	59%	0.59	S	S	.	*	H	α-helix	trans	-70.4	-40.5	174	43	0	0	0	0	112.4	R183 K184 Q185 L189 K190 T191	R183-T187 PolarHBondContact O-N 3.07Å; R183-T187 PolarHBondContact O-OG1 3.44Å; K184-T187 WeakPolarHBondContact CA-OG1 3.27Å; K184-T187 PolarHBondContact O-N 3.32Å; K184-T187 PolarHBondContact O-OG1 3.48Å; Q185-T187 PolarHBondContact O-N 2.89Å; T187-L189 VanDerWaalsContact C-N 3.33Å; T187-L189 PolarHBondContact O-N 3.42Å; T187-K190 PolarHBondContact O-N 3.17Å; T187-K190 VanDerWaalsContact O-N 3.14Å; T187-T191 PolarHBondContact O-N 3.36Å; T187-T191 PolarHBondContact O-OG1 2.87Å
188	Y	35.2	Very low	41.6	Very low	151 Å²	151	126.5 Å²	126.5	59%	0.592	61%	0.608	S	S	*	*	H	α-helix	trans	-67.6	-32.9	178.2	-169.5	-99.7	0	0	0	113	K184 Q185 T191 K192	K184-Y188 WeakPolarHBondContact O-CB 3.12Å; K184-Y188 PolarHBondContact O-N 3.06Å; Q185-Y188 PolarHBondContact O-N 3.49Å; Y188-T191 PolarHBondContact O-OG1 3.24Å; Y188-K192 HydrophobicContact CE1-CD 4.35Å; Y188-K192 PolarHBondContact O-N 3.08Å
189	L	34.9	Very low	40.7	Very low	116 Å²	116	131.2 Å²	131.2	61%	0.607	64%	0.636	S	S	*	*	H	α-helix	trans	-66.7	-41.9	168.6	-79.1	167.7	0	0	0	111.8	Q185 T187 T191 K192 T193	Q185-L189 WeakPolarHBondContact O-CB 3.42Å; Q185-L189 WeakPolarHBondContact O-CG 3.34Å; Q185-L189 PolarHBondContact O-N 3.38Å; T187-L189 VanDerWaalsContact C-N 3.33Å; T187-L189 PolarHBondContact O-N 3.42Å; L189-T191 PolarHBondContact O-N 2.95Å; L189-K192 PolarHBondContact O-N 3.11Å; L189-T193 PolarHBondContact O-N 2.81Å; L189-T193 VanDerWaalsContact O-N 3.08Å; L189-T193 PolarHBondContact O-OG1 2.69Å
190	K	40.7	Very low	39	Very low	158 Å²	158	130.6 Å²	130.6	69%	0.687	64%	0.64	S	S	*	*	H	α-helix	trans	-65.4	-33.1	177.4	-86.6	-159.4	168.7	-155.6	0	114	K186 T187 T193 N194	K186-K190 PolarHBondContact O-N 2.87Å; K186-K190 VanDerWaalsContact O-N 3.09Å; T187-K190 PolarHBondContact O-N 3.17Å; T187-K190 VanDerWaalsContact O-N 3.14Å; K190-T193 WeakPolarHBondContact CA-OG1 3.2Å; K190-T193 PolarHBondContact O-OG1 2.89Å; K190-N194 PolarHBondContact O-OD1 3.21Å
191	T	40.9	Very low	37.4	Very low	71 Å²	71	129.3 Å²	129.3	44%	0.436	64%	0.64	S	S	.	*	H	α-helix	trans	-68.3	-48.2	173.1	47.8	0	0	0	0	110.5	T187 Y188 L189 T193 N194 E195	T187-T191 PolarHBondContact O-N 3.36Å; T187-T191 PolarHBondContact O-OG1 2.87Å; Y188-T191 PolarHBondContact O-OG1 3.24Å; L189-T191 PolarHBondContact O-N 2.95Å; T191-T193 PolarHBondContact O-N 3.05Å; T191-T193 VanDerWaalsContact O-N 3.16Å; T191-N194 PolarHBondContact O-N 3.14Å; T191-E195 PolarHBondContact O-N 2.97Å
192	K	37.9	Very low	36.2	Very low	119 Å²	119	134.3 Å²	134.3	52%	0.517	67%	0.668	S	S	.	*	H	α-helix	trans	-64.7	-17.6	178.1	-80.2	-152.9	168.3	-156	0	115.5	Y188 L189	Y188-K192 HydrophobicContact CE1-CD 4.35Å; Y188-K192 PolarHBondContact O-N 3.08Å; L189-K192 PolarHBondContact O-N 3.11Å
193	T	38.5	Very low	35.1	Very low	93 Å²	93	135.1 Å²	135.1	57%	0.571	68%	0.678	S	S	*	*	H	α-helix	trans	-81	-20.7	171.5	48.1	0	0	0	0	113.7	L189 K190 T191	L189-T193 PolarHBondContact O-N 2.81Å; L189-T193 VanDerWaalsContact O-N 3.08Å; L189-T193 PolarHBondContact O-OG1 2.69Å; K190-T193 WeakPolarHBondContact CA-OG1 3.2Å; K190-T193 PolarHBondContact O-OG1 2.89Å; T191-T193 PolarHBondContact O-N 3.05Å; T191-T193 VanDerWaalsContact O-N 3.16Å
194	N	37.7	Very low	34.1	Very low	138 Å²	138	132.8 Å²	132.8	74%	0.738	69%	0.685	S	S	*	*	H	α-helix	trans	-94.5	-11.4	-177.4	-72.7	33	0	0	0	113	K190 T191 R196	K190-N194 PolarHBondContact O-OD1 3.21Å; T191-N194 PolarHBondContact O-N 3.14Å; N194-R196 VanDerWaalsContact C-N 3.31Å; N194-R196 PolarHBondContact O-N 3.09Å
195	E	35.9	Very low	33	Very low	140 Å²	140	133.3 Å²	133.3	65%	0.654	69%	0.69	S	S	*	*	S	Bend	trans	-89.3	12.4	-180	-66.7	164.4	161.1	0	0	113	T191 S197	T191-E195 PolarHBondContact O-N 2.97Å; E195-S197 PolarHBondContact O-N 2.93Å
196	R	31.1	Very low	32.3	Very low	226 Å²	226	132.6 Å²	132.6	85%	0.853	69%	0.693	S	S	*	*			trans	-100	68.2	-174.4	-76	-171.9	164.2	-161.9	-8.7	113.5	N194	N194-R196 VanDerWaalsContact C-N 3.31Å; N194-R196 PolarHBondContact O-N 3.09Å
197	S	29.2	Very low	31.5	Very low	117 Å²	117	133.2 Å²	133.2	82%	0.818	70%	0.704	S	S	*	*			trans	-141.9	82.6	162.7	59.4	0	0	0	0	109	E195	E195-S197 PolarHBondContact O-N 2.93Å
198	G	27.9	Very low	30.7	Very low	68 Å²	68	136.3 Å²	136.3	70%	0.701	71%	0.711	S	S	*	*			trans	-179.1	142.5	-174.9	0	0	0	0	0	108.6
199	N	28.6	Very low	30.2	Very low	163 Å²	163	137.8 Å²	137.8	87%	0.872	72%	0.723	S	S	*	*			trans	-83.6	171.4	-163	-71.8	-15.1	0	0	0	114.1
200	L	25.7	Very low	29.6	Very low	147 Å²	147	137.7 Å²	137.7	77%	0.77	73%	0.732	S	S	*	*			trans	-53.8	159.8	156.8	-47.1	97.3	0	0	0	110.6
201	D	23.7	Very low	28.8	Very low	133 Å²	133	139.7 Å²	139.7	71%	0.711	74%	0.741	S	S	*	*			cis	-139	178	23.2	-89.5	-67	0	0	0	113.7
202	D	24.4	Very low	27.9	Very low	152 Å²	152	141.3 Å²	141.3	81%	0.813	75%	0.754	S	S	*	*			trans	73.5	146.2	155.6	-71.3	-33.6	0	0	0	123.3
203	D	25	Very low	27.1	Very low	152 Å²	152	140 Å²	140	81%	0.813	76%	0.76	S	S	*	*			trans	60.2	146.6	164.2	-97.4	-35.9	0	0	0	124.1	E205	D203-E205 PolarHBondContact O-N 3.4Å
204	V	25.2	Very low	26.4	Very low	146 Å²	146	144.4 Å²	144.4	89%	0.885	77%	0.772	S	S	*	*			trans	-92.8	83.8	-169.1	-176.8	0	0	0	0	111.3
205	E	25	Very low	25.6	Very low	170 Å²	170	142.7 Å²	142.7	79%	0.794	77%	0.77	S	S	*	*			trans	-111.8	164.9	-178.8	-93.8	-105.8	143.1	0	0	113.7	D203	D203-E205 PolarHBondContact O-N 3.4Å
206	P	26	Very low	25	Very low	75 Å²	75	144.8 Å²	144.8	49%	0.487	78%	0.777	S	S	.	*				-98.4	168.2	-122	35	-39.7	0	0	0	116.3	H208	P206-H208 PolarHBondContact O-N 3.43Å
207	L	26.1	Very low	24.6	Very low	174 Å²	174	141.3 Å²	141.3	91%	0.911	78%	0.78	S	S	*	*			trans	-71.4	74.5	172	-125.8	169.1	0	0	0	110.9	H209	L207-H209 PolarHBondContact O-N 3.03Å
208	H	25.9	Very low	24.3	Very low	153 Å²	153	141.7 Å²	141.7	71%	0.708	77%	0.772	S	S	*	*			trans	-51	124.1	-169.8	-103.3	-94	0	0	0	114.3	P206 S210	P206-H208 PolarHBondContact O-N 3.43Å; H208-S210 PolarHBondContact O-N 3.41Å
209	H	23.8	Very low	24.1	Very low	182 Å²	182	143 Å²	143	84%	0.843	77%	0.771	S	S	*	*			trans	-68.8	87.9	174	-73	-73.2	0	0	0	111.8	L207 K211	L207-H209 PolarHBondContact O-N 3.03Å; H209-K211 PolarHBondContact O-N 3.14Å; H209-K211 VanDerWaalsContact O-N 3.16Å
210	S	23.3	Very low	23.9	Very low	114 Å²	114	145.9 Å²	145.9	80%	0.797	77%	0.771	S	S	*	*			trans	-65	112.6	162.6	46.5	0	0	0	0	109.5	H208 C212	H208-S210 PolarHBondContact O-N 3.41Å; S210-C212 PolarHBondContact O-N 3.02Å
211	K	22.8	Very low	24.2	Very low	200 Å²	200	143 Å²	143	87%	0.87	76%	0.756	S	S	*	*			trans	-64.8	90.7	-176.4	-68.5	173.6	179.9	170.8	0	111.1	H209 S213	H209-K211 PolarHBondContact O-N 3.14Å; H209-K211 VanDerWaalsContact O-N 3.16Å; K211-S213 VanDerWaalsContact C-N 3.3Å; K211-S213 PolarHBondContact O-N 2.87Å; K211-S213 VanDerWaalsContact O-N 3.09Å
212	C	22	Very low	24.7	Very low	105 Å²	105	145.2 Å²	145.2	71%	0.709	76%	0.76	S	S	*	*			trans	-83.5	78.7	169.1	-145.5	0	0	0	0	109.3	S210 F214	S210-C212 PolarHBondContact O-N 3.02Å; C212-F214 PolarHBondContact O-N 3.08Å
213	S	21	Very low	25.3	Very low	91 Å²	91	142 Å²	142	64%	0.636	75%	0.746	S	S	*	*			trans	-68	97.3	-178.9	40.3	0	0	0	0	111.6	K211 S215	K211-S213 VanDerWaalsContact C-N 3.3Å; K211-S213 PolarHBondContact O-N 2.87Å; K211-S213 VanDerWaalsContact O-N 3.09Å; S213-S215 PolarHBondContact O-N 2.96Å
214	F	23.6	Very low	26.2	Very low	187 Å²	187	138.4 Å²	138.4	82%	0.82	73%	0.726	S	S	*	*			trans	-74.9	47.2	163.2	-80.4	-85.1	0	0	0	111.6	C212 K216	C212-F214 PolarHBondContact O-N 3.08Å; F214-K216 PolarHBondContact O-N 2.85Å
215	S	21.2	Very low	27.4	Very low	101 Å²	101	134 Å²	134	71%	0.706	70%	0.698	S	S	*	*			trans	-81.4	64.4	172.3	55.9	0	0	0	0	110.4	S213	S213-S215 PolarHBondContact O-N 2.96Å
216	K	23.4	Very low	28.7	Very low	185 Å²	185	130.4 Å²	130.4	80%	0.804	68%	0.683	S	S	*	*	S	Bend	trans	-138.1	125.4	160.1	-110	-178.7	179	-178.2	0	108.8	F214 I218	F214-K216 PolarHBondContact O-N 2.85Å; K216-I218 PolarHBondContact O-N 3.31Å; K216-I218 VanDerWaalsContact O-N 3.16Å
217	V	22.4	Very low	30.1	Very low	152 Å²	152	129.8 Å²	129.8	92%	0.921	67%	0.671	S	S	*	*			trans	-62.9	114.8	176.1	179.7	0	0	0	0	107.7
218	I	23.2	Very low	31.8	Very low	125 Å²	125	123.4 Å²	123.4	64%	0.641	64%	0.636	S	S	*	*			trans	-107.2	128.2	167.2	-60.2	178	0	0	0	105.5	K216	K216-I218 PolarHBondContact O-N 3.31Å; K216-I218 VanDerWaalsContact O-N 3.16Å
219	S	24	Very low	33.5	Very low	97 Å²	97	117.7 Å²	117.7	68%	0.678	61%	0.61	S	S	*	*			trans	-53.7	144.6	176.9	36.6	0	0	0	0	111.2	D221	S219-D221 PolarHBondContact O-N 2.98Å
220	Y	24.5	Very low	35.4	Very low	223 Å²	223	109.6 Å²	109.6	88%	0.875	57%	0.572	S	S	*	*			trans	-78.9	62.6	-164.9	-136.6	-79	0	0	0	112.5
221	D	31.2	Very low	37.4	Very low	86 Å²	86	104.6 Å²	104.6	46%	0.46	54%	0.536	S	S	.	.			trans	-77.8	123.5	-173.7	-177.2	10.9	0	0	0	112.4	S219 T223 L224	S219-D221 PolarHBondContact O-N 2.98Å; D221-T223 VanDerWaalsContact CG-OG1 3.25Å; D221-T223 PolarHBondContact O-N 3.49Å; D221-T223 VanDerWaalsContact O-N 3.1Å; D221-T223 WeakPolarHBondContact OD1-CG2 3.23Å; D221-T223 PolarHBondContact OD1-N 3.07Å; D221-T223 WeakPolarHBondContact OD2-CB 3.36Å; D221-T223 WeakPolarHBondContact OD2-CG2 3.37Å; D221-T223 PolarHBondContact OD2-OG1 3.41Å; D221-L224 WeakPolarHBondContact O-CB 3.27Å; D221-L224 PolarHBondContact O-N 2.81Å
222	K	34.9	Very low	39.5	Very low	180 Å²	180	95.1 Å²	95.1	78%	0.783	50%	0.495	S	S	*	.	H	α-helix	trans	-55.7	-25.2	176.4	-66	175.3	-179.3	172.6	0	112.5	L224	K222-L224 PolarHBondContact O-N 3.12Å
223	T	37	Very low	41.5	Very low	85 Å²	85	90.2 Å²	90.2	52%	0.521	46%	0.462	S	S	.	.	H	α-helix	trans	-63.1	-30.7	176	75.5	0	0	0	0	113	D221 Y227	D221-T223 VanDerWaalsContact CG-OG1 3.25Å; D221-T223 PolarHBondContact O-N 3.49Å; D221-T223 VanDerWaalsContact O-N 3.1Å; D221-T223 WeakPolarHBondContact OD1-CG2 3.23Å; D221-T223 PolarHBondContact OD1-N 3.07Å; D221-T223 WeakPolarHBondContact OD2-CB 3.36Å; D221-T223 WeakPolarHBondContact OD2-CG2 3.37Å; D221-T223 PolarHBondContact OD2-OG1 3.41Å; T223-Y227 PolarHBondContact O-N 3.46Å; T223-Y227 VanDerWaalsContact O-N 3.11Å
224	L	44.7	Very low	43.6	Very low	76 Å²	76	86.8 Å²	86.8	40%	0.398	44%	0.436	S	S	.	.	H	α-helix	trans	-70.2	-43.1	-171.9	-162.2	77.1	0	0	0	111.3	D221 K222 Y227 K228	D221-L224 WeakPolarHBondContact O-CB 3.27Å; D221-L224 PolarHBondContact O-N 2.81Å; K222-L224 PolarHBondContact O-N 3.12Å; L224-Y227 PolarHBondContact O-N 3.02Å; L224-K228 WeakPolarHBondContact O-CG 3.15Å; L224-K228 PolarHBondContact O-N 3.23Å
225	D	48.9	Very low	45.9	Very low	54 Å²	54	78 Å²	78	29%	0.289	40%	0.398	S	S	.	.	H	α-helix	trans	-72.4	-32.4	179.7	-75.6	-20.1	0	0	0	112.6	Y227 K228 Q229	D225-Y227 VanDerWaalsContact C-N 3.3Å; D225-Y227 PolarHBondContact O-N 3.33Å; D225-K228 PolarHBondContact O-N 3.15Å; D225-K228 WeakPolarHBondContact OD1-CD 3.41Å; D225-K228 WeakPolarHBondContact OD1-CE 3.26Å; D225-K228 IonicContact OD1-NZ 3.65Å; D225-K228 PolarHBondContact OD1-NZ 3.35Å; D225-Q229 WeakPolarHBondContact O-CB 3.17Å; D225-Q229 VanDerWaalsContact O-CG 3.31Å; D225-Q229 WeakPolarHBondContact O-CG 3.3Å; D225-Q229 PolarHBondContact O-N 3.42Å
226	I	52.8	Low	48.2	Very low	94 Å²	94	73.2 Å²	73.2	48%	0.482	36%	0.364	S	S	.	.	H	α-helix	trans	-61.9	-40.5	169.9	-62.8	169.8	0	0	0	110.5	F230	I226-F230 WeakPolarHBondContact O-CB 3.31Å; I226-F230 PolarHBondContact O-N 2.86Å; I226-F230 VanDerWaalsContact O-N 3.14Å
227	Y	55.9	Low	50.2	Low	61 Å²	61	67.2 Å²	67.2	24%	0.239	34%	0.341	C	S	.	.	H	α-helix	trans	-68.7	-40.9	175.5	-177	-103	0	0	0	112.2	K170 T223 L224 D225 F230 L231	K170-Y227 HydrophobicContact CG-CD2 4.47Å; K170-Y227 HydrophobicContact CG-CE2 4.43Å; T223-Y227 PolarHBondContact O-N 3.46Å; T223-Y227 VanDerWaalsContact O-N 3.11Å; L224-Y227 PolarHBondContact O-N 3.02Å; D225-Y227 VanDerWaalsContact C-N 3.3Å; D225-Y227 PolarHBondContact O-N 3.33Å; Y227-F230 PolarHBondContact O-N 3.47Å; Y227-L231 HydrophobicContact CD1-CD1 4.13Å; Y227-L231 HydrophobicContact CE1-CD1 3.67Å; Y227-L231 HydrophobicContact CE1-CG 4.22Å; Y227-L231 WeakPolarHBondContact O-CG 3.37Å; Y227-L231 PolarHBondContact O-N 3.12Å; Y227-L231 VanDerWaalsContact O-N 3.16Å
228	K	61.2	Low	52.3	Low	41 Å²	41	62.7 Å²	62.7	18%	0.178	31%	0.312	C	S	.	.	H	α-helix	trans	-61.1	-51.2	174.3	-68.9	176	-144	164.6	0	111.1	L224 D225 F230 L231 F232 I252	L224-K228 WeakPolarHBondContact O-CG 3.15Å; L224-K228 PolarHBondContact O-N 3.23Å; D225-K228 PolarHBondContact O-N 3.15Å; D225-K228 WeakPolarHBondContact OD1-CD 3.41Å; D225-K228 WeakPolarHBondContact OD1-CE 3.26Å; D225-K228 IonicContact OD1-NZ 3.65Å; D225-K228 PolarHBondContact OD1-NZ 3.35Å; K228-F230 VanDerWaalsContact C-N 3.32Å; K228-F230 PolarHBondContact O-N 3.29Å; K228-L231 WeakPolarHBondContact O-CB 3.4Å; K228-L231 PolarHBondContact O-N 3Å; K228-F232 WeakPolarHBondContact O-CD2 3.33Å; K228-F232 PolarHBondContact O-N 3.23Å; K228-I252 HydrophobicContact CB-CD1 3.76Å; K228-I252 HydrophobicContact CB-CG1 4.24Å; K228-I252 HydrophobicContact CD-CD1 3.66Å; K228-I252 HydrophobicContact CD-CG1 3.41Å; K228-I252 VanDerWaalsContact CD-CG1 3.41Å; K228-I252 HydrophobicContact CG-CD1 3.99Å; K228-I252 HydrophobicContact CG-CG1 4.28Å
229	Q	62.1	Low	54.4	Low	32 Å²	32	60.8 Å²	60.8	15%	0.15	30%	0.303	C	S	.	.	H	α-helix	trans	-53.5	-48.3	177.2	-74.2	172.5	9.8	0	0	111.4	D225 L231 F232 S233 S256	D225-Q229 WeakPolarHBondContact O-CB 3.17Å; D225-Q229 VanDerWaalsContact O-CG 3.31Å; D225-Q229 WeakPolarHBondContact O-CG 3.3Å; D225-Q229 PolarHBondContact O-N 3.42Å; Q229-L231 VanDerWaalsContact C-N 3.29Å; Q229-L231 PolarHBondContact O-N 3.42Å; Q229-F232 WeakPolarHBondContact O-CB 3.35Å; Q229-F232 PolarHBondContact O-N 3.18Å; Q229-S233 PolarHBondContact O-N 2.97Å; Q229-S233 PolarHBondContact O-OG 2.97Å; Q229-S256 PolarHBondContact NE2-O 2.95Å; Q229-S256 PolarHBondContact NE2-OG 3.18Å
230	F	62.3	Low	56.6	Low	12 Å²	12	58.2 Å²	58.2	5%	0.053	28%	0.28	C	S	.	.	H	α-helix	trans	-56.8	-37.1	176.4	176.6	-96.4	0	0	0	113.6	K170 I226 Y227 K228 S233 Q234 M261	K170-F230 HydrophobicContact CB-CE1 4.29Å; I226-F230 WeakPolarHBondContact O-CB 3.31Å; I226-F230 PolarHBondContact O-N 2.86Å; I226-F230 VanDerWaalsContact O-N 3.14Å; Y227-F230 PolarHBondContact O-N 3.47Å; K228-F230 VanDerWaalsContact C-N 3.32Å; K228-F230 PolarHBondContact O-N 3.29Å; F230-S233 WeakPolarHBondContact O-CB 3.48Å; F230-S233 PolarHBondContact O-N 3.49Å; F230-Q234 WeakPolarHBondContact O-CB 3.45Å; F230-Q234 PolarHBondContact O-N 3.36Å; F230-M261 HydrophobicContact CD2-CB 4.34Å; F230-M261 HydrophobicContact CD2-CG 4.33Å; F230-M261 HydrophobicContact CD2-SD 3.73Å; F230-M261 HydrophobicContact CE2-CB 4.25Å; F230-M261 HydrophobicContact CE2-SD 4.04Å
231	L	66	Low	58.9	Low	10 Å²	10	47.9 Å²	47.9	5%	0.052	24%	0.239	C	C	.	.	H	α-helix	trans	-66.2	-36.2	175.6	-69.7	176.8	0	0	0	112.6	Y174 Y227 K228 Q229 A235 L247	Y174-L231 HydrophobicContact CD2-CD2 3.49Å; Y174-L231 VanDerWaalsContact CD2-CD2 3.49Å; Y174-L231 HydrophobicContact CE2-CD2 4.12Å; Y174-L231 HydrophobicContact CG-CD2 4.25Å; Y227-L231 HydrophobicContact CD1-CD1 4.13Å; Y227-L231 HydrophobicContact CE1-CD1 3.67Å; Y227-L231 HydrophobicContact CE1-CG 4.22Å; Y227-L231 WeakPolarHBondContact O-CG 3.37Å; Y227-L231 PolarHBondContact O-N 3.12Å; Y227-L231 VanDerWaalsContact O-N 3.16Å; K228-L231 WeakPolarHBondContact O-CB 3.4Å; K228-L231 PolarHBondContact O-N 3Å; Q229-L231 VanDerWaalsContact C-N 3.29Å; Q229-L231 PolarHBondContact O-N 3.42Å; L231-A235 VanDerWaalsContact O-CB 3.3Å; L231-A235 WeakPolarHBondContact O-CB 3.44Å; L231-A235 PolarHBondContact O-N 3.15Å; L231-L247 HydrophobicContact CB-CD1 3.98Å; L231-L247 HydrophobicContact CB-CD2 4.04Å; L231-L247 HydrophobicContact CD1-CD2 4.15Å; L231-L247 WeakPolarHBondContact O-CD1 3.36Å
232	F	67.9	Low	60.8	Low	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-68.8	-45.4	173.3	-78.9	-111.6	0	0	0	110.9	K228 Q229 Q234 A235 I236 F244 L247 L248 I252 I257	K228-F232 WeakPolarHBondContact O-CD2 3.33Å; K228-F232 PolarHBondContact O-N 3.23Å; Q229-F232 WeakPolarHBondContact O-CB 3.35Å; Q229-F232 PolarHBondContact O-N 3.18Å; F232-Q234 VanDerWaalsContact C-N 3.28Å; F232-Q234 PolarHBondContact O-N 3.25Å; F232-A235 PolarHBondContact O-N 3.31Å; F232-I236 WeakPolarHBondContact O-CD1 3.35Å; F232-I236 WeakPolarHBondContact O-CG1 3.31Å; F232-I236 PolarHBondContact O-N 3.45Å; F232-F244 HydrophobicContact CB-CE2 4.34Å; F232-F244 AromaticContact CD1-CD2 3.8Å; F232-F244 HydrophobicContact CD1-CD2 3.8Å; F232-F244 AromaticContact CD1-CE2 3.49Å; F232-F244 HydrophobicContact CD1-CE2 3.49Å; F232-F244 VanDerWaalsContact CD1-CE2 3.49Å; F232-F244 HydrophobicContact CD1-CZ 4.17Å; F232-F244 HydrophobicContact CE1-CE2 4.32Å; F232-F244 HydrophobicContact CG-CE2 4.36Å; F232-L247 HydrophobicContact CD1-CB 4.43Å; F232-L247 HydrophobicContact CD2-CB 3.96Å; F232-L247 HydrophobicContact CD2-CD1 4.21Å; F232-L247 HydrophobicContact CE1-CB 4.05Å; F232-L247 HydrophobicContact CE2-CB 3.52Å; F232-L247 HydrophobicContact CE2-CD2 4.47Å; F232-L247 HydrophobicContact CE2-CG 4.4Å; F232-L247 HydrophobicContact CG-CB 4.43Å; F232-L247 HydrophobicContact CZ-CB 3.62Å; F232-L247 VanDerWaalsContact CZ-O 3.24Å; F232-L247 WeakPolarHBondContact CZ-O 3.14Å; F232-L248 HydrophobicContact CE1-CD2 3.74Å; F232-L248 HydrophobicContact CE1-CG 3.92Å; F232-L248 HydrophobicContact CZ-CD2 4.48Å; F232-I252 HydrophobicContact CD2-CD1 4.32Å; F232-I252 HydrophobicContact CE2-CD1 3.28Å; F232-I252 HydrophobicContact CZ-CD1 3.76Å; F232-I257 HydrophobicContact CB-CG2 3.74Å; F232-I257 HydrophobicContact CD1-CD1 3.5Å; F232-I257 VanDerWaalsContact CD1-CD1 3.5Å; F232-I257 HydrophobicContact CD1-CG1 4.43Å; F232-I257 HydrophobicContact CD1-CG2 4.26Å; F232-I257 HydrophobicContact CD2-CD1 4.32Å; F232-I257 HydrophobicContact CE1-CD1 3.42Å; F232-I257 VanDerWaalsContact CE1-CD1 3.42Å; F232-I257 HydrophobicContact CE2-CD1 4.26Å; F232-I257 HydrophobicContact CG-CD1 3.93Å; F232-I257 HydrophobicContact CG-CG1 4.45Å; F232-I257 HydrophobicContact CG-CG2 4.17Å; F232-I257 HydrophobicContact CZ-CD1 3.79Å
233	S	64.2	Low	62.4	Low	3 Å²	3	42.9 Å²	42.9	2%	0.021	22%	0.219	C	C	.	.	H	α-helix	trans	-50.4	-49.5	174	-44.7	0	0	0	0	111.4	Q229 F230 I236 N237 K259	Q229-S233 PolarHBondContact O-N 2.97Å; Q229-S233 PolarHBondContact O-OG 2.97Å; F230-S233 WeakPolarHBondContact O-CB 3.48Å; F230-S233 PolarHBondContact O-N 3.49Å; S233-I236 PolarHBondContact O-N 2.86Å; S233-N237 WeakPolarHBondContact O-CB 3.26Å; S233-N237 PolarHBondContact O-N 3.1Å; S233-K259 PolarHBondContact OG-O 3.12Å
234	Q	65.1	Low	64.1	Low	19 Å²	19	38.9 Å²	38.9	9%	0.089	19%	0.194	C	C	.	.	H	α-helix	trans	-71.1	-37.8	-178.8	-162.7	74.1	50	0	0	112.1	Y174 F230 F232 I236 N237 D238	Y174-Q234 HydrophobicContact CE1-CG 4.49Å; F230-Q234 WeakPolarHBondContact O-CB 3.45Å; F230-Q234 PolarHBondContact O-N 3.36Å; F232-Q234 VanDerWaalsContact C-N 3.28Å; F232-Q234 PolarHBondContact O-N 3.25Å; Q234-I236 VanDerWaalsContact C-N 3.29Å; Q234-I236 PolarHBondContact O-N 2.89Å; Q234-N237 PolarHBondContact O-N 3.44Å; Q234-D238 PolarHBondContact NE2-OD1 2.89Å; Q234-D238 VanDerWaalsContact O-CB 3.26Å; Q234-D238 WeakPolarHBondContact O-CB 3.22Å; Q234-D238 VanDerWaalsContact O-CG 3.22Å; Q234-D238 PolarHBondContact O-N 3.17Å
235	A	70.7	Confident	65.4	Low	1 Å²	1	37 Å²	37	1%	0.008	19%	0.185	C	C	.	.	H	α-helix	trans	-63.9	-34.9	176.8	0	0	0	0	0	112.3	L231 F232 Q240 F244 L247	L231-A235 VanDerWaalsContact O-CB 3.3Å; L231-A235 WeakPolarHBondContact O-CB 3.44Å; L231-A235 PolarHBondContact O-N 3.15Å; F232-A235 PolarHBondContact O-N 3.31Å; A235-Q240 WeakPolarHBondContact O-CA 3.38Å; A235-Q240 PolarHBondContact O-N 3.45Å; A235-F244 HydrophobicContact CB-CB 4.19Å; A235-L247 HydrophobicContact CB-CD1 3.81Å
236	I	69.6	Low	66.5	Low	1 Å²	1	38.4 Å²	38.4	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-70.5	-53.6	171.7	-66.5	156.3	0	0	0	110.6	F232 S233 Q234 D238 N239 W241 F244 M260 L286 N290	F232-I236 WeakPolarHBondContact O-CD1 3.35Å; F232-I236 WeakPolarHBondContact O-CG1 3.31Å; F232-I236 PolarHBondContact O-N 3.45Å; S233-I236 PolarHBondContact O-N 2.86Å; Q234-I236 VanDerWaalsContact C-N 3.29Å; Q234-I236 PolarHBondContact O-N 2.89Å; I236-D238 VanDerWaalsContact C-N 3.26Å; I236-D238 PolarHBondContact O-N 2.88Å; I236-N239 WeakPolarHBondContact O-CA 3.38Å; I236-N239 PolarHBondContact O-N 2.97Å; I236-W241 HydrophobicContact CG1-CZ3 4.18Å; I236-W241 HydrophobicContact CG2-CH2 4.19Å; I236-F244 HydrophobicContact CD1-CD2 4Å; I236-F244 HydrophobicContact CD1-CE2 3.41Å; I236-F244 VanDerWaalsContact CD1-CE2 3.41Å; I236-F244 HydrophobicContact CD1-CZ 4.24Å; I236-F244 HydrophobicContact CG1-CD2 3.58Å; I236-F244 HydrophobicContact CG1-CE2 3.49Å; I236-F244 VanDerWaalsContact CG1-CE2 3.49Å; I236-F244 HydrophobicContact CG1-CZ 4.39Å; I236-M260 HydrophobicContact CG2-CE 4.5Å; I236-L286 HydrophobicContact CD1-CD1 4.24Å; I236-L286 HydrophobicContact CD1-CD2 3.54Å; I236-L286 HydrophobicContact CD1-CG 3.62Å; I236-N290 HydrophobicContact CG2-CB 3.31Å; I236-N290 VanDerWaalsContact CG2-CG 3.43Å
237	N	66.1	Low	67.3	Low	60 Å²	60	34 Å²	34	32%	0.321	17%	0.169	S	C	.	.	H	α-helix	trans	-60.1	-34.7	-176.2	-162.8	49.2	0	0	0	112.9	S233 Q234 N239 M260	S233-N237 WeakPolarHBondContact O-CB 3.26Å; S233-N237 PolarHBondContact O-N 3.1Å; Q234-N237 PolarHBondContact O-N 3.44Å; N237-N239 VanDerWaalsContact C-N 3.28Å; N237-N239 PolarHBondContact O-N 3.45Å; N237-M260 HydrophobicContact CB-CE 3.55Å; N237-M260 WeakPolarHBondContact OD1-CE 3.5Å
238	D	66.3	Low	68.1	Low	57 Å²	57	31.1 Å²	31.1	31%	0.305	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	2.3	175.8	-65.7	4.5	0	0	0	113.6	Q234 I236 Q240	Q234-D238 PolarHBondContact NE2-OD1 2.89Å; Q234-D238 VanDerWaalsContact O-CB 3.26Å; Q234-D238 WeakPolarHBondContact O-CB 3.22Å; Q234-D238 VanDerWaalsContact O-CG 3.22Å; Q234-D238 PolarHBondContact O-N 3.17Å; I236-D238 VanDerWaalsContact C-N 3.26Å; I236-D238 PolarHBondContact O-N 2.88Å; D238-Q240 HydrophobicContact CB-CB 4.37Å; D238-Q240 HydrophobicContact CB-CG 3.76Å; D238-Q240 PolarHBondContact O-N 3.16Å; D238-Q240 PolarHBondContact OD2-NE2 3.11Å
239	N	66.3	Low	68.4	Low	85 Å²	85	33.4 Å²	33.4	46%	0.455	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	30.3	-169.2	-75.7	-65.9	0	0	0	114.6	I236 N237 W241	I236-N239 WeakPolarHBondContact O-CA 3.38Å; I236-N239 PolarHBondContact O-N 2.97Å; N237-N239 VanDerWaalsContact C-N 3.28Å; N237-N239 PolarHBondContact O-N 3.45Å; N239-W241 VanDerWaalsContact C-N 3.3Å; N239-W241 PolarHBondContact O-N 3.27Å; N239-W241 VanDerWaalsContact O-N 3.1Å
240	Q	71.7	Confident	68.5	Low	43 Å²	43	35.2 Å²	35.2	20%	0.201	18%	0.182	C	C	.	.			trans	-90.3	62.7	-177.1	-70.9	174.6	44.4	0	0	111.8	Y174 A235 D238 E242 S243 F244	Y174-Q240 PolarHBondContact OH-OE1 2.93Å; A235-Q240 WeakPolarHBondContact O-CA 3.38Å; A235-Q240 PolarHBondContact O-N 3.45Å; D238-Q240 HydrophobicContact CB-CB 4.37Å; D238-Q240 HydrophobicContact CB-CG 3.76Å; D238-Q240 PolarHBondContact O-N 3.16Å; D238-Q240 PolarHBondContact OD2-NE2 3.11Å; Q240-E242 VanDerWaalsContact C-N 3.31Å; Q240-E242 PolarHBondContact O-N 2.9Å; Q240-S243 CarbonylContact O-C 3.55Å; Q240-S243 WeakPolarHBondContact O-CA 3.38Å; Q240-S243 WeakPolarHBondContact O-CB 3.5Å; Q240-S243 PolarHBondContact O-N 3.25Å; Q240-F244 PolarHBondContact O-N 2.98Å
241	W	72.9	Confident	68.5	Low	5 Å²	5	38.2 Å²	38.2	2%	0.019	22%	0.216	C	C	.	.	H	α-helix	trans	-54.4	-37.9	-176.9	-62.9	123.5	0	0	0	114.5	I236 N239 S243 F244 L245 F287 N290 I305 Y306 I309	I236-W241 HydrophobicContact CG1-CZ3 4.18Å; I236-W241 HydrophobicContact CG2-CH2 4.19Å; N239-W241 VanDerWaalsContact C-N 3.3Å; N239-W241 PolarHBondContact O-N 3.27Å; N239-W241 VanDerWaalsContact O-N 3.1Å; W241-S243 VanDerWaalsContact C-N 3.32Å; W241-S243 PolarHBondContact O-N 3.39Å; W241-F244 HydrophobicContact CE3-CB 4.38Å; W241-F244 HydrophobicContact CE3-CG 4.49Å; W241-F244 WeakPolarHBondContact O-CB 3.22Å; W241-F244 PolarHBondContact O-N 3.4Å; W241-L245 PolarHBondContact O-N 2.95Å; W241-F287 HydrophobicContact CE3-CD2 4.42Å; W241-F287 HydrophobicContact CE3-CE2 4.33Å; W241-F287 HydrophobicContact CH2-CD2 4Å; W241-F287 HydrophobicContact CH2-CE2 4.26Å; W241-F287 AromaticContact CZ3-CD2 3.64Å; W241-F287 HydrophobicContact CZ3-CD2 3.64Å; W241-F287 AromaticContact CZ3-CE2 3.92Å; W241-F287 HydrophobicContact CZ3-CE2 3.92Å; W241-N290 HydrophobicContact CH2-CB 4.42Å; W241-N290 WeakPolarHBondContact CZ2-O 3.45Å; W241-I305 HydrophobicContact CB-CD1 3.79Å; W241-I305 HydrophobicContact CB-CG1 4.31Å; W241-I305 HydrophobicContact CB-CG2 4.13Å; W241-I305 HydrophobicContact CG-CG2 4.26Å; W241-Y306 HydrophobicContact CD2-CE1 4.3Å; W241-Y306 AromaticContact CE2-CE1 3.59Å; W241-Y306 AromaticContact CZ2-CE1 3.8Å; W241-Y306 HydrophobicContact CZ2-CE1 3.8Å; W241-Y306 AromaticContact NE1-CE1 3.49Å; W241-Y306 AromaticContact NE1-CZ 3.64Å; W241-Y306 PolarHBondContact NE1-OH 3.23Å; W241-I309 HydrophobicContact CB-CD1 3.66Å; W241-I309 HydrophobicContact CD2-CD1 4.24Å; W241-I309 HydrophobicContact CE3-CD1 3.84Å; W241-I309 HydrophobicContact CG-CD1 4.21Å
242	E	69.2	Low	68.5	Low	138 Å²	138	38.7 Å²	38.7	65%	0.645	22%	0.219	S	C	*	.	H	α-helix	trans	-59.4	-41	170.7	-64.2	-180	171.8	0	0	112.5	Q240 L245 L246 I305	Q240-E242 VanDerWaalsContact C-N 3.31Å; Q240-E242 PolarHBondContact O-N 2.9Å; E242-L245 PolarHBondContact O-N 3.2Å; E242-L246 WeakPolarHBondContact O-CG 3.35Å; E242-L246 PolarHBondContact O-N 2.75Å; E242-I305 HydrophobicContact CG-CD1 4.45Å
243	S	68.6	Low	68.6	Low	24 Å²	24	44.1 Å²	44.1	17%	0.168	25%	0.247	C	C	.	.	H	α-helix	trans	-72.9	-35.1	178.3	-63.1	0	0	0	0	111.4	Q240 W241 L245 L246 L247	Q240-S243 CarbonylContact O-C 3.55Å; Q240-S243 WeakPolarHBondContact O-CA 3.38Å; Q240-S243 WeakPolarHBondContact O-CB 3.5Å; Q240-S243 PolarHBondContact O-N 3.25Å; W241-S243 VanDerWaalsContact C-N 3.32Å; W241-S243 PolarHBondContact O-N 3.39Å; S243-L245 VanDerWaalsContact C-N 3.35Å; S243-L246 PolarHBondContact O-N 2.94Å; S243-L247 WeakPolarHBondContact O-CB 3.41Å; S243-L247 WeakPolarHBondContact O-CD1 3.31Å; S243-L247 WeakPolarHBondContact O-CG 3.33Å; S243-L247 PolarHBondContact O-N 3.32Å
244	F	73.4	Confident	69	Low	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-59.9	-44.3	171.3	-172.7	-99.7	0	0	0	111.4	F232 A235 I236 Q240 W241 L247 L248 V283 I309 L313	F232-F244 HydrophobicContact CB-CE2 4.34Å; F232-F244 AromaticContact CD1-CD2 3.8Å; F232-F244 HydrophobicContact CD1-CD2 3.8Å; F232-F244 AromaticContact CD1-CE2 3.49Å; F232-F244 HydrophobicContact CD1-CE2 3.49Å; F232-F244 VanDerWaalsContact CD1-CE2 3.49Å; F232-F244 HydrophobicContact CD1-CZ 4.17Å; F232-F244 HydrophobicContact CE1-CE2 4.32Å; F232-F244 HydrophobicContact CG-CE2 4.36Å; A235-F244 HydrophobicContact CB-CB 4.19Å; I236-F244 HydrophobicContact CD1-CD2 4Å; I236-F244 HydrophobicContact CD1-CE2 3.41Å; I236-F244 VanDerWaalsContact CD1-CE2 3.41Å; I236-F244 HydrophobicContact CD1-CZ 4.24Å; I236-F244 HydrophobicContact CG1-CD2 3.58Å; I236-F244 HydrophobicContact CG1-CE2 3.49Å; I236-F244 VanDerWaalsContact CG1-CE2 3.49Å; I236-F244 HydrophobicContact CG1-CZ 4.39Å; Q240-F244 PolarHBondContact O-N 2.98Å; W241-F244 HydrophobicContact CE3-CB 4.38Å; W241-F244 HydrophobicContact CE3-CG 4.49Å; W241-F244 WeakPolarHBondContact O-CB 3.22Å; W241-F244 PolarHBondContact O-N 3.4Å; F244-L247 PolarHBondContact O-N 2.76Å; F244-L248 HydrophobicContact CD1-CD1 3.83Å; F244-L248 HydrophobicContact CD1-CG 4.27Å; F244-L248 HydrophobicContact CE1-CD1 3.68Å; F244-L248 HydrophobicContact CE1-CD2 4.47Å; F244-L248 HydrophobicContact CE1-CG 4.13Å; F244-L248 WeakPolarHBondContact O-CG 3.25Å; F244-L248 PolarHBondContact O-N 3.02Å; F244-V283 HydrophobicContact CZ-CG2 4.08Å; F244-I309 HydrophobicContact CD1-CD1 4.3Å; F244-I309 HydrophobicContact CD1-CG2 3.64Å; F244-I309 HydrophobicContact CE1-CG2 3.5Å; F244-I309 VanDerWaalsContact CE1-CG2 3.5Å; F244-L313 HydrophobicContact CE1-CD1 4.3Å; F244-L313 HydrophobicContact CE1-CD2 4.27Å; F244-L313 HydrophobicContact CE1-CG 4.47Å; F244-L313 HydrophobicContact CZ-CD2 4.32Å
245	L	72.3	Confident	69.3	Low	38 Å²	38	45 Å²	45	20%	0.199	25%	0.253	C	S	.	.	H	α-helix	trans	-67	-38.8	176.8	-168	150.5	0	0	0	112.7	W241 E242 S243 L247 L248 N249 I308 I309 Y312	W241-L245 PolarHBondContact O-N 2.95Å; E242-L245 PolarHBondContact O-N 3.2Å; S243-L245 VanDerWaalsContact C-N 3.35Å; L245-L247 VanDerWaalsContact C-N 3.33Å; L245-L248 PolarHBondContact O-N 3.29Å; L245-N249 PolarHBondContact O-ND2 3.49Å; L245-I308 HydrophobicContact CD1-CG2 3.85Å; L245-I309 HydrophobicContact CB-CG1 4.49Å; L245-I309 HydrophobicContact CD1-CG1 4.19Å; L245-Y312 HydrophobicContact CD1-CD2 3.81Å; L245-Y312 HydrophobicContact CD1-CE2 3.85Å; L245-Y312 HydrophobicContact CG-CD2 4.31Å; L245-Y312 HydrophobicContact CG-CE2 4.38Å
246	L	71.3	Confident	69.2	Low	82 Å²	82	46.4 Å²	46.4	43%	0.429	26%	0.262	S	S	.	.	H	α-helix	trans	-62.3	-39.7	170.6	-74	171.2	0	0	0	112.3	E242 S243 N249	E242-L246 WeakPolarHBondContact O-CG 3.35Å; E242-L246 PolarHBondContact O-N 2.75Å; S243-L246 PolarHBondContact O-N 2.94Å; L246-N249 PolarHBondContact O-N 3.2Å
247	L	71.1	Confident	69.3	Low	2 Å²	2	46.3 Å²	46.3	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-68.7	-37.5	178	-73.3	169.8	0	0	0	112.1	W177 L231 F232 A235 S243 F244 L245 N249 I250	W177-L247 HydrophobicContact CH2-CD2 4.03Å; W177-L247 HydrophobicContact CZ2-CD2 4.48Å; L231-L247 HydrophobicContact CB-CD1 3.98Å; L231-L247 HydrophobicContact CB-CD2 4.04Å; L231-L247 HydrophobicContact CD1-CD2 4.15Å; L231-L247 WeakPolarHBondContact O-CD1 3.36Å; F232-L247 HydrophobicContact CD1-CB 4.43Å; F232-L247 HydrophobicContact CD2-CB 3.96Å; F232-L247 HydrophobicContact CD2-CD1 4.21Å; F232-L247 HydrophobicContact CE1-CB 4.05Å; F232-L247 HydrophobicContact CE2-CB 3.52Å; F232-L247 HydrophobicContact CE2-CD2 4.47Å; F232-L247 HydrophobicContact CE2-CG 4.4Å; F232-L247 HydrophobicContact CG-CB 4.43Å; F232-L247 HydrophobicContact CZ-CB 3.62Å; F232-L247 VanDerWaalsContact CZ-O 3.24Å; F232-L247 WeakPolarHBondContact CZ-O 3.14Å; A235-L247 HydrophobicContact CB-CD1 3.81Å; S243-L247 WeakPolarHBondContact O-CB 3.41Å; S243-L247 WeakPolarHBondContact O-CD1 3.31Å; S243-L247 WeakPolarHBondContact O-CG 3.33Å; S243-L247 PolarHBondContact O-N 3.32Å; F244-L247 PolarHBondContact O-N 2.76Å; L245-L247 VanDerWaalsContact C-N 3.33Å; L247-N249 PolarHBondContact O-N 3.35Å; L247-N249 VanDerWaalsContact O-N 3.08Å; L247-I250 HydrophobicContact CD2-CD1 3.79Å; L247-I250 VanDerWaalsContact O-CB 3.32Å; L247-I250 WeakPolarHBondContact O-CB 3.4Å; L247-I250 PolarHBondContact O-N 2.85Å
248	L	71.1	Confident	69.5	Low	1 Å²	1	44.5 Å²	44.5	1%	0.005	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-18	174.4	-78.7	172.3	0	0	0	114.4	F232 F244 L245 I254 L313 K316	F232-L248 HydrophobicContact CE1-CD2 3.74Å; F232-L248 HydrophobicContact CE1-CG 3.92Å; F232-L248 HydrophobicContact CZ-CD2 4.48Å; F244-L248 HydrophobicContact CD1-CD1 3.83Å; F244-L248 HydrophobicContact CD1-CG 4.27Å; F244-L248 HydrophobicContact CE1-CD1 3.68Å; F244-L248 HydrophobicContact CE1-CD2 4.47Å; F244-L248 HydrophobicContact CE1-CG 4.13Å; F244-L248 WeakPolarHBondContact O-CG 3.25Å; F244-L248 PolarHBondContact O-N 3.02Å; L245-L248 PolarHBondContact O-N 3.29Å; L248-I254 HydrophobicContact CD2-CD1 3.51Å; L248-I254 HydrophobicContact CD2-CG1 3.79Å; L248-I254 HydrophobicContact CD2-CG2 4.47Å; L248-L313 HydrophobicContact CD1-CD2 4.14Å; L248-L313 HydrophobicContact CD1-CG 4.35Å; L248-L313 HydrophobicContact CD2-CD2 3.55Å; L248-L313 HydrophobicContact CG-CD2 4.49Å; L248-K316 PolarHBondContact O-NZ 2.8Å
249	N	67.6	Low	69.3	Low	89 Å²	89	46.6 Å²	46.6	48%	0.476	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-7.6	175.5	-69.5	-44.2	0	0	0	113.7	L245 L246 L247	L245-N249 PolarHBondContact O-ND2 3.49Å; L246-N249 PolarHBondContact O-N 3.2Å; L247-N249 PolarHBondContact O-N 3.35Å; L247-N249 VanDerWaalsContact O-N 3.08Å
250	I	65.9	Low	69.2	Low	69 Å²	69	42.6 Å²	42.6	35%	0.354	24%	0.236	S	C	.	.	S	Bend	trans	-75.3	136.8	165.7	-54.3	179.4	0	0	0	108.3	L247 I252	L247-I250 HydrophobicContact CD2-CD1 3.79Å; L247-I250 VanDerWaalsContact O-CB 3.32Å; L247-I250 WeakPolarHBondContact O-CB 3.4Å; L247-I250 PolarHBondContact O-N 2.85Å; I250-I252 VanDerWaalsContact C-N 3.35Å; I250-I252 HydrophobicContact CB-CD1 3.95Å; I250-I252 HydrophobicContact CB-CG1 4.47Å; I250-I252 HydrophobicContact CG2-CD1 3.96Å; I250-I252 HydrophobicContact CG2-CG1 4.17Å; I250-I252 PolarHBondContact O-N 2.64Å
251	G	60.7	Low	68.4	Low	75 Å²	75	42.5 Å²	42.5	77%	0.773	24%	0.236	S	C	*	.	S	Bend	trans	-65.7	85.3	-178.7	0	0	0	0	0	113.1
252	I	66	Low	67.6	Low	21 Å²	21	44.9 Å²	44.9	11%	0.108	25%	0.247	C	C	.	.			trans	-125.4	139.6	-177.9	-68.3	159.6	0	0	0	107.8	K228 F232 I250 I254 I257	K228-I252 HydrophobicContact CB-CD1 3.76Å; K228-I252 HydrophobicContact CB-CG1 4.24Å; K228-I252 HydrophobicContact CD-CD1 3.66Å; K228-I252 HydrophobicContact CD-CG1 3.41Å; K228-I252 VanDerWaalsContact CD-CG1 3.41Å; K228-I252 HydrophobicContact CG-CD1 3.99Å; K228-I252 HydrophobicContact CG-CG1 4.28Å; F232-I252 HydrophobicContact CD2-CD1 4.32Å; F232-I252 HydrophobicContact CE2-CD1 3.28Å; F232-I252 HydrophobicContact CZ-CD1 3.76Å; I250-I252 VanDerWaalsContact C-N 3.35Å; I250-I252 HydrophobicContact CB-CD1 3.95Å; I250-I252 HydrophobicContact CB-CG1 4.47Å; I250-I252 HydrophobicContact CG2-CD1 3.96Å; I250-I252 HydrophobicContact CG2-CG1 4.17Å; I250-I252 PolarHBondContact O-N 2.64Å; I252-I254 PolarHBondContact O-N 3.29Å; I252-I257 HydrophobicContact CG2-CD1 4.1Å; I252-I257 HydrophobicContact CG2-CG1 4.15Å
253	N	69.9	Low	66.6	Low	113 Å²	113	42.2 Å²	42.2	60%	0.604	24%	0.237	S	C	*	.			trans	-66.1	101.7	163.2	-179.6	-6.6	0	0	0	107.9	N255 S256	N253-N255 PolarHBondContact O-N 2.86Å; N253-N255 PolarHBondContact OD1-N 3.44Å; N253-S256 VanDerWaalsContact O-CB 3.31Å; N253-S256 WeakPolarHBondContact O-CB 3.26Å; N253-S256 PolarHBondContact O-N 3.27Å; N253-S256 PolarHBondContact O-OG 3.15Å
254	I	73.4	Confident	65.6	Low	8 Å²	8	44.4 Å²	44.4	4%	0.041	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-62.5	-24.8	-172.8	-85.1	160.1	0	0	0	112.1	L248 I252 S256 I257 V283 L313 K316 A318	L248-I254 HydrophobicContact CD2-CD1 3.51Å; L248-I254 HydrophobicContact CD2-CG1 3.79Å; L248-I254 HydrophobicContact CD2-CG2 4.47Å; I252-I254 PolarHBondContact O-N 3.29Å; I254-S256 VanDerWaalsContact C-N 3.28Å; I254-S256 PolarHBondContact O-N 3.33Å; I254-I257 HydrophobicContact CB-CD1 4.37Å; I254-I257 HydrophobicContact CG1-CD1 4.07Å; I254-I257 WeakPolarHBondContact O-CB 3.34Å; I254-I257 PolarHBondContact O-N 2.72Å; I254-V283 HydrophobicContact CG2-CB 4.49Å; I254-V283 HydrophobicContact CG2-CG1 3.69Å; I254-V283 HydrophobicContact CG2-CG2 4.48Å; I254-L313 HydrophobicContact CG2-CD2 3.87Å; I254-K316 HydrophobicContact CD1-CB 3.49Å; I254-K316 VanDerWaalsContact CD1-CB 3.49Å; I254-K316 HydrophobicContact CD1-CD 3.76Å; I254-K316 HydrophobicContact CD1-CG 3.6Å; I254-A318 HydrophobicContact CG2-CB 4.01Å
255	N	72.3	Confident	64.2	Low	33 Å²	33	49.8 Å²	49.8	18%	0.176	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-76.7	-8.2	173.4	-66.6	-52.3	0	0	0	114.5	N253 I257 G317 A318 N319	N253-N255 PolarHBondContact O-N 2.86Å; N253-N255 PolarHBondContact OD1-N 3.44Å; N255-I257 VanDerWaalsContact C-N 3.3Å; N255-G317 PolarHBondContact ND2-O 3.03Å; N255-A318 VanDerWaalsContact OD1-CA 3.31Å; N255-A318 WeakPolarHBondContact OD1-CA 3.3Å; N255-N319 PolarHBondContact ND2-OD1 3.22Å; N255-N319 PolarHBondContact OD1-N 3.46Å; N255-N319 PolarHBondContact OD1-ND2 3.31Å; N255-N319 PolarHBondContact OD1-OD1 2.99Å; N255-N319 VanDerWaalsContact OD1-OD1 3.04Å
256	S	68.2	Low	62.4	Low	30 Å²	30	52.3 Å²	52.3	21%	0.21	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-79.8	-11.1	168.6	75.4	0	0	0	0	113.3	Q229 N253 I254 Q258	Q229-S256 PolarHBondContact NE2-O 2.95Å; Q229-S256 PolarHBondContact NE2-OG 3.18Å; N253-S256 VanDerWaalsContact O-CB 3.31Å; N253-S256 WeakPolarHBondContact O-CB 3.26Å; N253-S256 PolarHBondContact O-N 3.27Å; N253-S256 PolarHBondContact O-OG 3.15Å; I254-S256 VanDerWaalsContact C-N 3.28Å; I254-S256 PolarHBondContact O-N 3.33Å; S256-Q258 VanDerWaalsContact C-N 3.32Å; S256-Q258 PolarHBondContact O-N 3.44Å
257	I	71.2	Confident	61.1	Low	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.311	C	S	.	.			trans	-82.6	82.2	-177	-53.2	161	0	0	0	108.6	F232 I252 I254 N255 V283 L286	F232-I257 HydrophobicContact CB-CG2 3.74Å; F232-I257 HydrophobicContact CD1-CD1 3.5Å; F232-I257 VanDerWaalsContact CD1-CD1 3.5Å; F232-I257 HydrophobicContact CD1-CG1 4.43Å; F232-I257 HydrophobicContact CD1-CG2 4.26Å; F232-I257 HydrophobicContact CD2-CD1 4.32Å; F232-I257 HydrophobicContact CE1-CD1 3.42Å; F232-I257 VanDerWaalsContact CE1-CD1 3.42Å; F232-I257 HydrophobicContact CE2-CD1 4.26Å; F232-I257 HydrophobicContact CG-CD1 3.93Å; F232-I257 HydrophobicContact CG-CG1 4.45Å; F232-I257 HydrophobicContact CG-CG2 4.17Å; F232-I257 HydrophobicContact CZ-CD1 3.79Å; I252-I257 HydrophobicContact CG2-CD1 4.1Å; I252-I257 HydrophobicContact CG2-CG1 4.15Å; I254-I257 HydrophobicContact CB-CD1 4.37Å; I254-I257 HydrophobicContact CG1-CD1 4.07Å; I254-I257 WeakPolarHBondContact O-CB 3.34Å; I254-I257 PolarHBondContact O-N 2.72Å; N255-I257 VanDerWaalsContact C-N 3.3Å; I257-V283 HydrophobicContact CB-CB 4.08Å; I257-V283 HydrophobicContact CB-CG2 3.96Å; I257-V283 HydrophobicContact CD1-CG2 4.22Å; I257-V283 HydrophobicContact CG2-CG2 4.04Å; I257-V283 VanDerWaalsContact O-CA 3.31Å; I257-V283 WeakPolarHBondContact O-CA 3.29Å; I257-V283 PolarHBondContact O-N 3.2Å; I257-V283 VanDerWaalsContact O-N 3.17Å; I257-L286 HydrophobicContact CG2-CD2 4.1Å
258	Q	69.8	Low	59.7	Low	21 Å²	21	67.2 Å²	67.2	10%	0.098	36%	0.356	C	S	.	.			trans	-118.9	-11.5	-175	-74.4	171.8	-34	0	0	113.5	S256 I279 Y280 P281 C331	S256-Q258 VanDerWaalsContact C-N 3.32Å; S256-Q258 PolarHBondContact O-N 3.44Å; Q258-I279 CarbonylContact O-C 3.35Å; Q258-I279 WeakPolarHBondContact O-CA 3.45Å; Q258-Y280 WeakPolarHBondContact CB-O 3.41Å; Q258-Y280 WeakPolarHBondContact CG-O 3.43Å; Q258-Y280 PolarHBondContact O-N 3.01Å; Q258-P281 PolarHBondContact NE2-O 2.65Å; Q258-C331 PolarHBondContact NE2-O 3.32Å
259	K	63.5	Low	58	Low	102 Å²	102	70.3 Å²	70.3	44%	0.443	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	140.7	-169.7	-59.4	-175.4	-179.4	177.1	0	110.9	S233 E278 I279	S233-K259 PolarHBondContact OG-O 3.12Å; K259-E278 WeakPolarHBondContact CA-O 3.32Å; K259-I279 HydrophobicContact CG-CG1 4.37Å
260	M	63	Low	56.7	Low	0 Å²	0	76.9 Å²	76.9	0%	0	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	139.9	173	-168.8	175	-178.7	0	0	109.1	I236 N237 K262 K277 E278 Y280 L286 N290	I236-M260 HydrophobicContact CG2-CE 4.5Å; N237-M260 HydrophobicContact CB-CE 3.55Å; N237-M260 WeakPolarHBondContact OD1-CE 3.5Å; M260-K262 HydrophobicContact CE-CG 4.2Å; M260-K277 CarbonylContact O-C 3.44Å; M260-K277 WeakPolarHBondContact O-CA 3.31Å; M260-E278 HydrophobicContact CB-CB 4.28Å; M260-E278 PolarHBondContact N-O 2.74Å; M260-E278 PolarHBondContact O-N 2.86Å; M260-Y280 HydrophobicContact CB-CD2 4.36Å; M260-Y280 HydrophobicContact CB-CE2 3.81Å; M260-Y280 HydrophobicContact SD-CE2 3.98Å; M260-L286 HydrophobicContact CB-CD1 4.09Å; M260-L286 HydrophobicContact CG-CD1 4.39Å; M260-L286 HydrophobicContact SD-CD1 3.84Å; M260-N290 WeakPolarHBondContact CE-OD1 3.11Å
261	M	56.2	Low	55.2	Low	42 Å²	42	80.4 Å²	80.4	21%	0.207	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	112.3	172.5	-67.4	-171.5	-173.5	0	0	108.2	F230 I275 I276 K277	F230-M261 HydrophobicContact CD2-CB 4.34Å; F230-M261 HydrophobicContact CD2-CG 4.33Å; F230-M261 HydrophobicContact CD2-SD 3.73Å; F230-M261 HydrophobicContact CE2-CB 4.25Å; F230-M261 HydrophobicContact CE2-SD 4.04Å; M261-I275 HydrophobicContact CB-CG2 4.22Å; M261-I275 HydrophobicContact CG-CG2 4.49Å; M261-I275 HydrophobicContact SD-CG2 4.48Å; M261-I276 WeakPolarHBondContact CA-O 3.3Å; M261-K277 HydrophobicContact CE-CG 4.42Å; M261-K277 HydrophobicContact CG-CG 4.37Å
262	K	54.3	Low	54.3	Low	55 Å²	55	83 Å²	83	24%	0.239	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	134	170.2	-69.4	-180	-176.2	157.8	0	108.2	M260 I275 I276 E278	M260-K262 HydrophobicContact CE-CG 4.2Å; K262-I275 CarbonylContact O-C 3.57Å; K262-I275 WeakPolarHBondContact O-CA 3.45Å; K262-I276 PolarHBondContact N-O 2.99Å; K262-I276 PolarHBondContact O-N 3.46Å; K262-E278 WeakPolarHBondContact CD-OE1 3.27Å; K262-E278 WeakPolarHBondContact CE-OE1 3.49Å; K262-E278 WeakPolarHBondContact CE-OE2 3.43Å; K262-E278 IonicContact NZ-OE1 2.66Å; K262-E278 PolarHBondContact NZ-OE1 3.28Å; K262-E278 IonicContact NZ-OE2 2.75Å; K262-E278 PolarHBondContact NZ-OE2 2.98Å
263	L	49.1	Very low	53.1	Low	82 Å²	82	83.2 Å²	83.2	43%	0.429	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	104.1	172.6	-170	155.3	0	0	0	106.5	N265 I275	L263-N265 WeakPolarHBondContact CD2-OD1 3.18Å; L263-I275 HydrophobicContact CB-CG1 4.37Å; L263-I275 HydrophobicContact CD1-CD1 4.47Å; L263-I275 HydrophobicContact CD1-CG1 4.04Å; L263-I275 HydrophobicContact CG-CG1 4.05Å
264	I	46.6	Very low	51.6	Low	69 Å²	69	81.6 Å²	81.6	35%	0.354	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	113.4	180	-59.3	-171.6	0	0	0	107.8	N266 G273 T274 I276	I264-N266 WeakPolarHBondContact CG2-OD1 3.41Å; I264-N266 PolarHBondContact O-N 3.31Å; I264-G273 CarbonylContact O-C 3.51Å; I264-G273 WeakPolarHBondContact O-CA 3.26Å; I264-T274 PolarHBondContact N-O 2.84Å; I264-T274 PolarHBondContact O-N 3.44Å; I264-I276 HydrophobicContact CD1-CD1 3.54Å; I264-I276 HydrophobicContact CD1-CG1 4.13Å; I264-I276 HydrophobicContact CG1-CD1 4.44Å
265	N	43.8	Very low	50.5	Low	114 Å²	114	84.1 Å²	84.1	61%	0.61	42%	0.416	S	S	*	.			trans	-83.4	105.4	162.3	-68.1	-20.9	0	0	0	107.3	L263 Q267	L263-N265 WeakPolarHBondContact CD2-OD1 3.18Å; N265-Q267 PolarHBondContact O-N 3.01Å
266	N	36.2	Very low	49.5	Very low	91 Å²	91	86.3 Å²	86.3	49%	0.487	43%	0.426	S	S	.	.			trans	-61.9	119.8	163.9	-70.2	9.8	0	0	0	107.1	I264 D269	I264-N266 WeakPolarHBondContact CG2-OD1 3.41Å; I264-N266 PolarHBondContact O-N 3.31Å; N266-D269 HydrophobicContact CB-CB 4.47Å
267	Q	43.7	Very low	49.1	Very low	196 Å²	196	92.2 Å²	92.2	92%	0.916	45%	0.448	S	S	*	.	S	Bend	trans	-79.6	-22.6	-177.5	-68.8	-169.9	-57.7	0	0	112.8	N265	N265-Q267 PolarHBondContact O-N 3.01Å
268	E	41.5	Very low	48.7	Very low	201 Å²	201	95 Å²	95	94%	0.939	46%	0.461	S	S	*	.	S	Bend	trans	-84.8	-21.3	-174.3	-61.4	171.2	148.3	0	0	112.7
269	D	35.7	Very low	48.5	Very low	66 Å²	66	97 Å²	97	35%	0.353	47%	0.472	S	S	.	.	S	Bend	trans	-127.1	120.9	-173.2	-141.9	-16.7	0	0	0	108.2	N266 K271	N266-D269 HydrophobicContact CB-CB 4.47Å; D269-K271 PolarHBondContact O-N 2.91Å; D269-K271 WeakPolarHBondContact OD1-CD 3.18Å; D269-K271 WeakPolarHBondContact OD1-CE 3.27Å; D269-K271 IonicContact OD1-NZ 3.36Å; D269-K271 PolarHBondContact OD1-NZ 3.33Å; D269-K271 WeakPolarHBondContact OD2-CD 3.46Å; D269-K271 WeakPolarHBondContact OD2-CE 3.46Å; D269-K271 IonicContact OD2-NZ 3.38Å; D269-K271 PolarHBondContact OD2-NZ 3.28Å
270	K	39.1	Very low	48.9	Very low	226 Å²	226	92.9 Å²	92.9	98%	0.983	45%	0.454	S	S	*	.			trans	-70.7	24	-179.3	-69.4	178.7	179.6	171	0	113.6
271	K	36.1	Very low	49.2	Very low	143 Å²	143	93 Å²	93	62%	0.622	45%	0.454	S	S	*	.	S	Bend	trans	-85.1	152.3	178.3	-62.7	174.2	-170.7	135.8	0	109.2	D269	D269-K271 PolarHBondContact O-N 2.91Å; D269-K271 WeakPolarHBondContact OD1-CD 3.18Å; D269-K271 WeakPolarHBondContact OD1-CE 3.27Å; D269-K271 IonicContact OD1-NZ 3.36Å; D269-K271 PolarHBondContact OD1-NZ 3.33Å; D269-K271 WeakPolarHBondContact OD2-CD 3.46Å; D269-K271 WeakPolarHBondContact OD2-CE 3.46Å; D269-K271 IonicContact OD2-NZ 3.38Å; D269-K271 PolarHBondContact OD2-NZ 3.28Å
272	Q	39.7	Very low	50.3	Low	131 Å²	131	91 Å²	91	61%	0.612	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-66	140.1	-168.2	-63.9	149.3	-11	0	0	111.9	Y161 T274	Y161-Q272 PolarHBondContact OH-NE2 2.96Å; Y161-Q272 VanDerWaalsContact OH-NE2 3.11Å; Y161-Q272 PolarHBondContact OH-OE1 3.12Å; Q272-T274 PolarHBondContact O-N 3.1Å
273	G	40.8	Very low	51.5	Low	24 Å²	24	88.3 Å²	88.3	25%	0.247	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-60.4	118.2	-175.1	0	0	0	0	0	113.3	I264	I264-G273 CarbonylContact O-C 3.51Å; I264-G273 WeakPolarHBondContact O-CA 3.26Å
274	T	39.5	Very low	53.2	Low	80 Å²	80	84.4 Å²	84.4	49%	0.491	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	132.9	-177.9	33.6	0	0	0	0	110.9	I264 Q272 I276	I264-T274 PolarHBondContact N-O 2.84Å; I264-T274 PolarHBondContact O-N 3.44Å; Q272-T274 PolarHBondContact O-N 3.1Å; T274-I276 PolarHBondContact O-N 3.26Å
275	I	50	Low	54.9	Low	61 Å²	61	81.1 Å²	81.1	31%	0.313	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	98.1	-179.8	-61.9	155.5	0	0	0	108.9	I167 M261 K262 L263	I167-I275 HydrophobicContact CB-CD1 4.22Å; I167-I275 HydrophobicContact CD1-CD1 3.64Å; I167-I275 HydrophobicContact CG1-CD1 3.64Å; I167-I275 HydrophobicContact CG2-CD1 4.39Å; M261-I275 HydrophobicContact CB-CG2 4.22Å; M261-I275 HydrophobicContact CG-CG2 4.49Å; M261-I275 HydrophobicContact SD-CG2 4.48Å; K262-I275 CarbonylContact O-C 3.57Å; K262-I275 WeakPolarHBondContact O-CA 3.45Å; L263-I275 HydrophobicContact CB-CG1 4.37Å; L263-I275 HydrophobicContact CD1-CD1 4.47Å; L263-I275 HydrophobicContact CD1-CG1 4.04Å; L263-I275 HydrophobicContact CG-CG1 4.05Å
276	I	51.1	Low	56.7	Low	78 Å²	78	75.7 Å²	75.7	40%	0.4	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	131.4	173.9	-57.6	-165.1	0	0	0	109.1	M261 K262 I264 T274 E278	M261-I276 WeakPolarHBondContact CA-O 3.3Å; K262-I276 PolarHBondContact N-O 2.99Å; K262-I276 PolarHBondContact O-N 3.46Å; I264-I276 HydrophobicContact CD1-CD1 3.54Å; I264-I276 HydrophobicContact CD1-CG1 4.13Å; I264-I276 HydrophobicContact CG1-CD1 4.44Å; T274-I276 PolarHBondContact O-N 3.26Å; I276-E278 HydrophobicContact CG2-CG 4.21Å
277	K	59.4	Low	59	Low	154 Å²	154	71.4 Å²	71.4	67%	0.67	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.5	100.3	172.3	-65.1	170.6	-171.1	160.5	0	108.5	M260 M261	M260-K277 CarbonylContact O-C 3.44Å; M260-K277 WeakPolarHBondContact O-CA 3.31Å; M261-K277 HydrophobicContact CE-CG 4.42Å; M261-K277 HydrophobicContact CG-CG 4.37Å
278	E	63.4	Low	61	Low	58 Å²	58	62.4 Å²	62.4	27%	0.271	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	145.6	170.1	-66.3	170.9	167.3	0	0	109.5	K259 M260 K262 I276 Y280	K259-E278 WeakPolarHBondContact CA-O 3.32Å; M260-E278 HydrophobicContact CB-CB 4.28Å; M260-E278 PolarHBondContact N-O 2.74Å; M260-E278 PolarHBondContact O-N 2.86Å; K262-E278 WeakPolarHBondContact CD-OE1 3.27Å; K262-E278 WeakPolarHBondContact CE-OE1 3.49Å; K262-E278 WeakPolarHBondContact CE-OE2 3.43Å; K262-E278 IonicContact NZ-OE1 2.66Å; K262-E278 PolarHBondContact NZ-OE1 3.28Å; K262-E278 IonicContact NZ-OE2 2.75Å; K262-E278 PolarHBondContact NZ-OE2 2.98Å; I276-E278 HydrophobicContact CG2-CG 4.21Å; E278-Y280 HydrophobicContact CB-CD2 4.37Å; E278-Y280 HydrophobicContact CB-CE2 3.74Å; E278-Y280 PolarHBondContact OE2-OH 2.74Å
279	I	65.9	Low	62.9	Low	63 Å²	63	56.2 Å²	56.2	32%	0.323	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	136.8	174.8	-54.4	-176.6	0	0	0	107.5	Q258 K259 Y329	Q258-I279 CarbonylContact O-C 3.35Å; Q258-I279 WeakPolarHBondContact O-CA 3.45Å; K259-I279 HydrophobicContact CG-CG1 4.37Å; I279-Y329 HydrophobicContact CB-CD2 4.5Å; I279-Y329 HydrophobicContact CG2-CG 4.46Å; I279-Y329 VanDerWaalsContact O-CE2 3.25Å; I279-Y329 WeakPolarHBondContact O-CE2 3.23Å; I279-Y329 PolarHBondContact O-OH 3.19Å
280	Y	71.2	Confident	64.9	Low	17 Å²	17	54.4 Å²	54.4	7%	0.067	26%	0.26	C	S	.	.			trans	-122.2	153.3	-178.4	-67.8	-108.6	0	0	0	108.3	Q258 M260 E278 S282 L286 R289	Q258-Y280 WeakPolarHBondContact CB-O 3.41Å; Q258-Y280 WeakPolarHBondContact CG-O 3.43Å; Q258-Y280 PolarHBondContact O-N 3.01Å; M260-Y280 HydrophobicContact CB-CD2 4.36Å; M260-Y280 HydrophobicContact CB-CE2 3.81Å; M260-Y280 HydrophobicContact SD-CE2 3.98Å; E278-Y280 HydrophobicContact CB-CD2 4.37Å; E278-Y280 HydrophobicContact CB-CE2 3.74Å; E278-Y280 PolarHBondContact OE2-OH 2.74Å; Y280-S282 PolarHBondContact O-N 2.76Å; Y280-L286 VanDerWaalsContact CD1-CA 3.47Å; Y280-L286 HydrophobicContact CD1-CB 3.93Å; Y280-L286 HydrophobicContact CD1-CD1 4.09Å; Y280-L286 HydrophobicContact CD2-CB 4.41Å; Y280-L286 HydrophobicContact CD2-CD1 3.6Å; Y280-L286 HydrophobicContact CE1-CB 4.49Å; Y280-L286 HydrophobicContact CE1-CD1 3.99Å; Y280-L286 HydrophobicContact CE2-CD1 3.51Å; Y280-L286 HydrophobicContact CG-CB 3.86Å; Y280-L286 HydrophobicContact CG-CD1 3.89Å; Y280-L286 HydrophobicContact CG-CG 4.45Å; Y280-R289 HydrophobicContact CE1-CB 3.9Å; Y280-R289 VanDerWaalsContact CE1-CD 3.46Å; Y280-R289 HydrophobicContact CE1-CG 4.24Å
281	P	70.6	Confident	66.7	Low	1 Å²	1	44 Å²	44	1%	0.006	22%	0.215	C	C	.	.	S	Bend	trans	-67.3	-37.8	-177	-8.4	22.5	0	0	0	112.2	Q258 D285 I323 Y329 G333 Q336	Q258-P281 PolarHBondContact NE2-O 2.65Å; P281-D285 WeakPolarHBondContact CD-OD2 3.43Å; P281-D285 HydrophobicContact CG-CB 4.27Å; P281-I323 HydrophobicContact CB-CD1 3.48Å; P281-I323 VanDerWaalsContact CB-CD1 3.48Å; P281-I323 HydrophobicContact CG-CD1 3.98Å; P281-Y329 HydrophobicContact CB-CD1 4.42Å; P281-Y329 HydrophobicContact CG-CD1 4.01Å; P281-Y329 HydrophobicContact CG-CE1 3.75Å; P281-G333 WeakPolarHBondContact CB-O 3.44Å; P281-G333 CarbonylContact O-C 3.55Å; P281-G333 WeakPolarHBondContact O-CA 3.07Å; P281-G333 PolarHBondContact O-N 3.21Å; P281-Q336 HydrophobicContact CG-CB 4.36Å; P281-Q336 HydrophobicContact CG-CG 3.74Å
282	S	78.2	Confident	68.2	Low	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.198	C	C	.	.			trans	-146.5	168.6	176.6	73.9	0	0	0	0	112.4	Y280 I284 D285 L286 G334	Y280-S282 PolarHBondContact O-N 2.76Å; S282-I284 PolarHBondContact O-N 3.28Å; S282-I284 PolarHBondContact OG-N 3.15Å; S282-I284 VanDerWaalsContact OG-N 3.15Å; S282-D285 PolarHBondContact O-N 3.29Å; S282-D285 PolarHBondContact OG-N 3.48Å; S282-D285 VanDerWaalsContact OG-N 3.12Å; S282-L286 WeakPolarHBondContact O-CB 3.2Å; S282-L286 PolarHBondContact O-N 3.33Å; S282-G334 WeakPolarHBondContact CB-O 3.22Å; S282-G334 PolarHBondContact OG-O 2.84Å
283	V	80	Confident	69.2	Low	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-58.6	-28.7	167.8	68	0	0	0	0	113.7	F244 I254 I257 F287 L313 A318	F244-V283 HydrophobicContact CZ-CG2 4.08Å; I254-V283 HydrophobicContact CG2-CB 4.49Å; I254-V283 HydrophobicContact CG2-CG1 3.69Å; I254-V283 HydrophobicContact CG2-CG2 4.48Å; I257-V283 HydrophobicContact CB-CB 4.08Å; I257-V283 HydrophobicContact CB-CG2 3.96Å; I257-V283 HydrophobicContact CD1-CG2 4.22Å; I257-V283 HydrophobicContact CG2-CG2 4.04Å; I257-V283 VanDerWaalsContact O-CA 3.31Å; I257-V283 WeakPolarHBondContact O-CA 3.29Å; I257-V283 PolarHBondContact O-N 3.2Å; I257-V283 VanDerWaalsContact O-N 3.17Å; V283-F287 WeakPolarHBondContact O-CB 3.18Å; V283-F287 PolarHBondContact O-N 3.24Å; V283-L313 HydrophobicContact CB-CD2 4.46Å; V283-L313 HydrophobicContact CG1-CD2 3.94Å; V283-L313 HydrophobicContact CG2-CD2 3.68Å; V283-A318 HydrophobicContact CG1-CB 3.81Å
284	I	84	Confident	69.9	Low	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-77.6	-41.5	178.4	-73.6	177.1	0	0	0	110	S282 F287 L288 L310 L313 L314 A318 I320 I335 L376	S282-I284 PolarHBondContact O-N 3.28Å; S282-I284 PolarHBondContact OG-N 3.15Å; S282-I284 VanDerWaalsContact OG-N 3.15Å; I284-F287 PolarHBondContact O-N 3.41Å; I284-L288 HydrophobicContact CG2-CD1 3.7Å; I284-L288 HydrophobicContact CG2-CG 4.15Å; I284-L288 WeakPolarHBondContact O-CB 3.44Å; I284-L288 VanDerWaalsContact O-CG 3.22Å; I284-L288 WeakPolarHBondContact O-CG 3.37Å; I284-L288 PolarHBondContact O-N 2.99Å; I284-L310 HydrophobicContact CD1-CD1 4.37Å; I284-L310 HydrophobicContact CG1-CD1 4.45Å; I284-L310 HydrophobicContact CG2-CD1 4.32Å; I284-L313 HydrophobicContact CD1-CB 4.35Å; I284-L313 HydrophobicContact CG1-CB 4.12Å; I284-L313 HydrophobicContact CG1-CD1 4.04Å; I284-L314 HydrophobicContact CD1-CD2 3.74Å; I284-L314 HydrophobicContact CD1-CG 4.36Å; I284-A318 HydrophobicContact CD1-CB 3.54Å; I284-A318 HydrophobicContact CG1-CB 3.87Å; I284-I320 HydrophobicContact CD1-CG2 3.37Å; I284-I335 HydrophobicContact CG2-CD1 3.64Å; I284-I335 HydrophobicContact CG2-CG1 3.89Å; I284-L376 HydrophobicContact CG2-CD2 4.08Å
285	D	82.6	Confident	70.6	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.5	-45.4	173.6	-167	82.1	0	0	0	111.5	P281 S282 F287 L288 R289 I335 Q336 T339	P281-D285 WeakPolarHBondContact CD-OD2 3.43Å; P281-D285 HydrophobicContact CG-CB 4.27Å; S282-D285 PolarHBondContact O-N 3.29Å; S282-D285 PolarHBondContact OG-N 3.48Å; S282-D285 VanDerWaalsContact OG-N 3.12Å; D285-F287 VanDerWaalsContact C-N 3.34Å; D285-F287 PolarHBondContact O-N 2.93Å; D285-L288 PolarHBondContact O-N 2.91Å; D285-R289 WeakPolarHBondContact O-CB 3.41Å; D285-R289 WeakPolarHBondContact O-CG 3.1Å; D285-R289 PolarHBondContact O-N 2.74Å; D285-R289 IonicContact OD2-CZ 3.55Å; D285-R289 IonicContact OD2-NE 2.72Å; D285-R289 PolarHBondContact OD2-NE 3.38Å; D285-R289 IonicContact OD2-NH1 3.96Å; D285-R289 IonicContact OD2-NH2 2.69Å; D285-I335 HydrophobicContact CB-CG2 4.46Å; D285-Q336 PolarHBondContact OD1-N 3.23Å; D285-T339 WeakPolarHBondContact OD1-CB 3.25Å; D285-T339 PolarHBondContact OD1-OG1 3.47Å
286	L	81.7	Confident	70.2	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-57.7	-42.7	172.3	172.9	65	0	0	0	112.4	I236 I257 M260 Y280 S282 N290	I236-L286 HydrophobicContact CD1-CD1 4.24Å; I236-L286 HydrophobicContact CD1-CD2 3.54Å; I236-L286 HydrophobicContact CD1-CG 3.62Å; I257-L286 HydrophobicContact CG2-CD2 4.1Å; M260-L286 HydrophobicContact CB-CD1 4.09Å; M260-L286 HydrophobicContact CG-CD1 4.39Å; M260-L286 HydrophobicContact SD-CD1 3.84Å; Y280-L286 VanDerWaalsContact CD1-CA 3.47Å; Y280-L286 HydrophobicContact CD1-CB 3.93Å; Y280-L286 HydrophobicContact CD1-CD1 4.09Å; Y280-L286 HydrophobicContact CD2-CB 4.41Å; Y280-L286 HydrophobicContact CD2-CD1 3.6Å; Y280-L286 HydrophobicContact CE1-CB 4.49Å; Y280-L286 HydrophobicContact CE1-CD1 3.99Å; Y280-L286 HydrophobicContact CE2-CD1 3.51Å; Y280-L286 HydrophobicContact CG-CB 3.86Å; Y280-L286 HydrophobicContact CG-CD1 3.89Å; Y280-L286 HydrophobicContact CG-CG 4.45Å; S282-L286 WeakPolarHBondContact O-CB 3.2Å; S282-L286 PolarHBondContact O-N 3.33Å; L286-N290 PolarHBondContact O-ND2 2.92Å
287	F	85.5	Confident	69.6	Low	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.9	-55.2	175.7	164.9	-105.4	0	0	0	111.4	W241 V283 I284 D285 R289 N290 I291 Y306 I309 L310 L313	W241-F287 HydrophobicContact CE3-CD2 4.42Å; W241-F287 HydrophobicContact CE3-CE2 4.33Å; W241-F287 HydrophobicContact CH2-CD2 4Å; W241-F287 HydrophobicContact CH2-CE2 4.26Å; W241-F287 AromaticContact CZ3-CD2 3.64Å; W241-F287 HydrophobicContact CZ3-CD2 3.64Å; W241-F287 AromaticContact CZ3-CE2 3.92Å; W241-F287 HydrophobicContact CZ3-CE2 3.92Å; V283-F287 WeakPolarHBondContact O-CB 3.18Å; V283-F287 PolarHBondContact O-N 3.24Å; I284-F287 PolarHBondContact O-N 3.41Å; D285-F287 VanDerWaalsContact C-N 3.34Å; D285-F287 PolarHBondContact O-N 2.93Å; F287-R289 VanDerWaalsContact C-N 3.33Å; F287-R289 PolarHBondContact O-N 3.12Å; F287-N290 PolarHBondContact O-N 3.39Å; F287-N290 VanDerWaalsContact O-N 3.1Å; F287-I291 HydrophobicContact CE1-CD1 3.92Å; F287-I291 HydrophobicContact CZ-CD1 3.97Å; F287-I291 HydrophobicContact CZ-CG1 4.41Å; F287-I291 WeakPolarHBondContact O-CG1 3.42Å; F287-I291 PolarHBondContact O-N 3.32Å; F287-Y306 HydrophobicContact CE2-CD1 4.09Å; F287-Y306 HydrophobicContact CZ-CD1 4.08Å; F287-Y306 WeakPolarHBondContact CZ-O 3.44Å; F287-I309 HydrophobicContact CD2-CG2 3.75Å; F287-I309 HydrophobicContact CE2-CB 3.98Å; F287-I309 HydrophobicContact CE2-CG2 3.47Å; F287-I309 VanDerWaalsContact CE2-CG2 3.47Å; F287-I309 HydrophobicContact CZ-CB 4.26Å; F287-I309 HydrophobicContact CZ-CG2 4.03Å; F287-L310 HydrophobicContact CD1-CD1 4.48Å; F287-L310 HydrophobicContact CE1-CB 3.9Å; F287-L310 HydrophobicContact CE1-CD1 4.35Å; F287-L310 HydrophobicContact CZ-CB 4.4Å; F287-L313 HydrophobicContact CB-CD1 4.01Å; F287-L313 HydrophobicContact CD1-CD1 4.17Å; F287-L313 HydrophobicContact CG-CD1 3.99Å
288	L	85.5	Confident	68.5	Low	7 Å²	7	39.2 Å²	39.2	4%	0.037	22%	0.223	C	C	.	.	H	α-helix	trans	-60.1	-38.8	-176.4	-69.9	171.1	0	0	0	112.5	I284 D285 N290 I291 I335 T339 L343 L376	I284-L288 HydrophobicContact CG2-CD1 3.7Å; I284-L288 HydrophobicContact CG2-CG 4.15Å; I284-L288 WeakPolarHBondContact O-CB 3.44Å; I284-L288 VanDerWaalsContact O-CG 3.22Å; I284-L288 WeakPolarHBondContact O-CG 3.37Å; I284-L288 PolarHBondContact O-N 2.99Å; D285-L288 PolarHBondContact O-N 2.91Å; L288-N290 VanDerWaalsContact C-N 3.28Å; L288-N290 PolarHBondContact O-N 3.04Å; L288-I291 HydrophobicContact CD2-CD1 4Å; L288-I291 PolarHBondContact O-N 2.93Å; L288-I335 HydrophobicContact CD1-CD1 4.2Å; L288-I335 HydrophobicContact CD1-CG2 4.04Å; L288-T339 HydrophobicContact CB-CG2 3.65Å; L288-T339 HydrophobicContact CD1-CG2 4.29Å; L288-L343 HydrophobicContact CD2-CD2 4.42Å; L288-L376 HydrophobicContact CD1-CD1 3.94Å
289	R	80	Confident	67.4	Low	72 Å²	72	39.2 Å²	39.2	27%	0.272	23%	0.226	S	C	.	.	H	α-helix	trans	-68.9	-22	177.4	-76.6	-175.8	170.8	171.3	8.8	114.8	Y280 D285 F287 Q336 T339	Y280-R289 HydrophobicContact CE1-CB 3.9Å; Y280-R289 VanDerWaalsContact CE1-CD 3.46Å; Y280-R289 HydrophobicContact CE1-CG 4.24Å; D285-R289 WeakPolarHBondContact O-CB 3.41Å; D285-R289 WeakPolarHBondContact O-CG 3.1Å; D285-R289 PolarHBondContact O-N 2.74Å; D285-R289 IonicContact OD2-CZ 3.55Å; D285-R289 IonicContact OD2-NE 2.72Å; D285-R289 PolarHBondContact OD2-NE 3.38Å; D285-R289 IonicContact OD2-NH1 3.96Å; D285-R289 IonicContact OD2-NH2 2.69Å; F287-R289 VanDerWaalsContact C-N 3.33Å; F287-R289 PolarHBondContact O-N 3.12Å; R289-Q336 VanDerWaalsContact CZ-OE1 3.27Å; R289-T339 HydrophobicContact CG-CG2 3.69Å; R289-T339 VanDerWaalsContact CZ-OG1 3.23Å; R289-T339 PolarHBondContact NE-OG1 3.41Å; R289-T339 PolarHBondContact NH2-OG1 3.36Å
290	N	78.2	Confident	66	Low	28 Å²	28	39.8 Å²	39.8	15%	0.15	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	10.9	179.3	-71.4	-81.9	0	0	0	112.3	I236 W241 M260 L286 F287 L288	I236-N290 HydrophobicContact CG2-CB 3.31Å; I236-N290 VanDerWaalsContact CG2-CG 3.43Å; W241-N290 HydrophobicContact CH2-CB 4.42Å; W241-N290 WeakPolarHBondContact CZ2-O 3.45Å; M260-N290 WeakPolarHBondContact CE-OD1 3.11Å; L286-N290 PolarHBondContact O-ND2 2.92Å; F287-N290 PolarHBondContact O-N 3.39Å; F287-N290 VanDerWaalsContact O-N 3.1Å; L288-N290 VanDerWaalsContact C-N 3.28Å; L288-N290 PolarHBondContact O-N 3.04Å
291	I	77.2	Confident	64.7	Low	6 Å²	6	48 Å²	48	3%	0.031	27%	0.272	C	S	.	.	S	Bend	trans	-70.3	124.1	166.1	-59.5	-173.6	0	0	0	108.2	F287 L288 Y306 I367 L372	F287-I291 HydrophobicContact CE1-CD1 3.92Å; F287-I291 HydrophobicContact CZ-CD1 3.97Å; F287-I291 HydrophobicContact CZ-CG1 4.41Å; F287-I291 WeakPolarHBondContact O-CG1 3.42Å; F287-I291 PolarHBondContact O-N 3.32Å; L288-I291 HydrophobicContact CD2-CD1 4Å; L288-I291 PolarHBondContact O-N 2.93Å; I291-Y306 HydrophobicContact CB-CD1 4.42Å; I291-Y306 HydrophobicContact CB-CE1 4.42Å; I291-Y306 HydrophobicContact CD1-CD1 4.02Å; I291-Y306 HydrophobicContact CG1-CD1 3.82Å; I291-Y306 HydrophobicContact CG1-CE1 4.18Å; I291-Y306 HydrophobicContact CG2-CD1 4.05Å; I291-Y306 HydrophobicContact CG2-CE1 4.04Å; I291-I367 HydrophobicContact CG2-CD1 3.62Å; I291-I367 HydrophobicContact CG2-CG2 4.14Å; I291-L372 HydrophobicContact CD1-CD1 3.59Å
292	P	68.4	Low	63.8	Low	41 Å²	41	49 Å²	49	27%	0.266	28%	0.278	S	S	.	.			trans	-70.1	133.6	-179	28.4	-34.1	0	0	0	111.1	N294 Y306 I367	P292-N294 VanDerWaalsContact C-N 3.3Å; P292-N294 PolarHBondContact O-N 2.58Å; P292-Y306 WeakPolarHBondContact CD-OH 3.18Å; P292-Y306 WeakPolarHBondContact CG-OH 3.46Å; P292-I367 HydrophobicContact CG-CD1 4.28Å; P292-I367 WeakPolarHBondContact O-CD1 3.37Å
293	L	61.1	Low	62.4	Low	85 Å²	85	51.6 Å²	51.6	45%	0.445	29%	0.293	S	S	.	.	S	Bend	trans	-46.2	-52.3	178.2	-76.8	166.6	0	0	0	112.8	Y342 Q346	L293-Y342 HydrophobicContact CD2-CE2 3.88Å; L293-Y342 WeakPolarHBondContact CD2-OH 3.32Å; L293-Y342 VanDerWaalsContact CG-OH 3.28Å; L293-Y342 WeakPolarHBondContact CG-OH 3.42Å; L293-Q346 VanDerWaalsContact CD2-CD 3.42Å; L293-Q346 HydrophobicContact CD2-CG 4.32Å; L293-Q346 VanDerWaalsContact CD2-NE2 3.31Å
294	N	55.5	Low	61.6	Low	136 Å²	136	53 Å²	53	73%	0.727	31%	0.308	S	S	*	.	S	Bend	trans	-123.2	135.5	179	-65.2	-43.3	0	0	0	108.2	P292	P292-N294 VanDerWaalsContact C-N 3.3Å; P292-N294 PolarHBondContact O-N 2.58Å
295	Q	53.8	Low	60.9	Low	36 Å²	36	54.3 Å²	54.3	17%	0.168	31%	0.314	C	S	.	.			trans	-71.5	130.8	160	-63.3	-164	17.9	0	0	108	V299 T302 Q365 I367	Q295-V299 PolarHBondContact OE1-O 3.17Å; Q295-T302 VanDerWaalsContact CD-OG1 3.27Å; Q295-T302 PolarHBondContact NE2-OG1 3.4Å; Q295-T302 PolarHBondContact OE1-OG1 2.92Å; Q295-T302 VanDerWaalsContact OE1-OG1 3.05Å; Q295-Q365 VanDerWaalsContact CD-O 3.29Å; Q295-Q365 PolarHBondContact OE1-O 2.75Å; Q295-I367 HydrophobicContact CG-CD1 4.08Å; Q295-I367 HydrophobicContact CG-CG1 4Å; Q295-I367 VanDerWaalsContact NE2-CG1 3.28Å
296	S	40.6	Very low	60.7	Low	74 Å²	74	54.6 Å²	54.6	52%	0.517	32%	0.316	S	S	.	.			trans	-65.1	136.4	162.2	40.7	0	0	0	0	108.7	S298 V299	S296-S298 PolarHBondContact O-N 2.87Å; S296-V299 PolarHBondContact O-N 3.28Å; S296-V299 WeakPolarHBondContact OG-CG2 3.37Å
297	S	39.3	Very low	60.4	Low	100 Å²	100	56 Å²	56	70%	0.699	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-7.9	-174.2	50	0	0	0	0	115.1
298	S	36	Very low	60	Low	100 Å²	100	60.1 Å²	60.1	70%	0.699	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-6.2	174.8	53.2	0	0	0	0	114.8	S296	S296-S298 PolarHBondContact O-N 2.87Å
299	V	40.5	Very low	59.7	Low	57 Å²	57	59.8 Å²	59.8	35%	0.345	35%	0.345	S	S	.	.			trans	-115.9	47.4	-168.4	-156.6	0	0	0	0	113.7	Q295 S296 K301 T302	Q295-V299 PolarHBondContact OE1-O 3.17Å; S296-V299 PolarHBondContact O-N 3.28Å; S296-V299 WeakPolarHBondContact OG-CG2 3.37Å; V299-K301 PolarHBondContact O-N 2.98Å; V299-T302 HydrophobicContact CG1-CG2 3.81Å; V299-T302 PolarHBondContact O-N 3.21Å; V299-T302 PolarHBondContact O-OG1 3.31Å
300	C	35.6	Very low	59.8	Low	76 Å²	76	56.4 Å²	56.4	51%	0.514	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-8.3	179.4	-47.1	0	0	0	0	116.3	Q365	C300-Q365 PolarHBondContact SG-NE2 3.46Å; C300-Q365 VanDerWaalsContact SG-NE2 3.45Å
301	K	44.5	Very low	60	Low	190 Å²	190	57.3 Å²	57.3	83%	0.826	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	3.7	-176.2	-62.9	-171.2	176.5	-174.6	0	114.6	V299	V299-K301 PolarHBondContact O-N 2.98Å
302	T	50.6	Low	60.1	Low	22 Å²	22	61.6 Å²	61.6	14%	0.135	36%	0.357	C	S	.	.			trans	-109.2	1.4	-177.4	62.3	0	0	0	0	115.4	Q295 V299 I305 Y306	Q295-T302 VanDerWaalsContact CD-OG1 3.27Å; Q295-T302 PolarHBondContact NE2-OG1 3.4Å; Q295-T302 PolarHBondContact OE1-OG1 2.92Å; Q295-T302 VanDerWaalsContact OE1-OG1 3.05Å; V299-T302 HydrophobicContact CG1-CG2 3.81Å; V299-T302 PolarHBondContact O-N 3.21Å; V299-T302 PolarHBondContact O-OG1 3.31Å; T302-I305 HydrophobicContact CG2-CG2 4.5Å; T302-I305 WeakPolarHBondContact O-CG2 3.49Å; T302-I305 PolarHBondContact O-N 3.34Å; T302-Y306 WeakPolarHBondContact O-CE2 3.04Å
303	V	50.1	Low	60.7	Low	53 Å²	53	59.7 Å²	59.7	32%	0.321	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	141.5	172.5	174.3	0	0	0	0	111.2	I305 D364 Q365	V303-I305 PolarHBondContact O-N 2.82Å; V303-I305 VanDerWaalsContact O-N 3.07Å; V303-D364 WeakPolarHBondContact CB-O 3.17Å; V303-D364 WeakPolarHBondContact CG2-O 3.24Å; V303-Q365 VanDerWaalsContact CG2-CA 3.42Å
304	G	61.8	Low	61.7	Low	30 Å²	30	56.7 Å²	56.7	31%	0.309	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	74	-23.1	-169	0	0	0	0	0	115	Y306 S307 I308	G304-Y306 VanDerWaalsContact C-N 3.26Å; G304-Y306 PolarHBondContact O-N 3.4Å; G304-S307 PolarHBondContact O-N 2.87Å; G304-S307 VanDerWaalsContact O-N 3.08Å; G304-I308 WeakPolarHBondContact O-CG1 3.23Å; G304-I308 PolarHBondContact O-N 3.25Å
305	I	70.4	Confident	62.7	Low	27 Å²	27	56.3 Å²	56.3	14%	0.138	33%	0.326	C	S	.	.	H	α-helix	trans	-61.4	-35.3	-174.5	-147.2	167.9	0	0	0	112.4	W241 E242 T302 V303 I308 I309	W241-I305 HydrophobicContact CB-CD1 3.79Å; W241-I305 HydrophobicContact CB-CG1 4.31Å; W241-I305 HydrophobicContact CB-CG2 4.13Å; W241-I305 HydrophobicContact CG-CG2 4.26Å; E242-I305 HydrophobicContact CG-CD1 4.45Å; T302-I305 HydrophobicContact CG2-CG2 4.5Å; T302-I305 WeakPolarHBondContact O-CG2 3.49Å; T302-I305 PolarHBondContact O-N 3.34Å; V303-I305 PolarHBondContact O-N 2.82Å; V303-I305 VanDerWaalsContact O-N 3.07Å; I305-I308 PolarHBondContact O-N 3.25Å; I305-I309 HydrophobicContact CG1-CD1 4.17Å; I305-I309 WeakPolarHBondContact O-CB 3.35Å; I305-I309 VanDerWaalsContact O-CG1 3.29Å; I305-I309 WeakPolarHBondContact O-CG1 3.27Å; I305-I309 PolarHBondContact O-N 3.47Å
306	Y	77.9	Confident	63.7	Low	7 Å²	7	59 Å²	59	3%	0.027	34%	0.338	C	S	.	.	H	α-helix	trans	-64.7	-46	175.8	-58	-80.1	0	0	0	111.5	W241 F287 I291 P292 T302 G304 I308 I309 L310 I367	W241-Y306 HydrophobicContact CD2-CE1 4.3Å; W241-Y306 AromaticContact CE2-CE1 3.59Å; W241-Y306 AromaticContact CZ2-CE1 3.8Å; W241-Y306 HydrophobicContact CZ2-CE1 3.8Å; W241-Y306 AromaticContact NE1-CE1 3.49Å; W241-Y306 AromaticContact NE1-CZ 3.64Å; W241-Y306 PolarHBondContact NE1-OH 3.23Å; F287-Y306 HydrophobicContact CE2-CD1 4.09Å; F287-Y306 HydrophobicContact CZ-CD1 4.08Å; F287-Y306 WeakPolarHBondContact CZ-O 3.44Å; I291-Y306 HydrophobicContact CB-CD1 4.42Å; I291-Y306 HydrophobicContact CB-CE1 4.42Å; I291-Y306 HydrophobicContact CD1-CD1 4.02Å; I291-Y306 HydrophobicContact CG1-CD1 3.82Å; I291-Y306 HydrophobicContact CG1-CE1 4.18Å; I291-Y306 HydrophobicContact CG2-CD1 4.05Å; I291-Y306 HydrophobicContact CG2-CE1 4.04Å; P292-Y306 WeakPolarHBondContact CD-OH 3.18Å; P292-Y306 WeakPolarHBondContact CG-OH 3.46Å; T302-Y306 WeakPolarHBondContact O-CE2 3.04Å; G304-Y306 VanDerWaalsContact C-N 3.26Å; G304-Y306 PolarHBondContact O-N 3.4Å; Y306-I308 VanDerWaalsContact C-N 3.3Å; Y306-I308 PolarHBondContact O-N 2.91Å; Y306-I309 PolarHBondContact O-N 3.17Å; Y306-L310 VanDerWaalsContact O-CB 3.28Å; Y306-L310 WeakPolarHBondContact O-CB 3.41Å; Y306-L310 PolarHBondContact O-N 2.96Å; Y306-I367 HydrophobicContact CD2-CD1 3.98Å; Y306-I367 HydrophobicContact CD2-CG1 3.91Å; Y306-I367 HydrophobicContact CD2-CG2 4.08Å; Y306-I367 HydrophobicContact CE2-CD1 3.58Å; Y306-I367 HydrophobicContact CE2-CG1 3.81Å; Y306-I367 HydrophobicContact CG-CG2 4.33Å
307	S	75.4	Confident	65.1	Low	30 Å²	30	57.1 Å²	57.1	21%	0.21	33%	0.33	C	S	.	.	H	α-helix	trans	-68.6	-29.1	178.4	-42	0	0	0	0	112.6	G304 C311 Q375	G304-S307 PolarHBondContact O-N 2.87Å; G304-S307 VanDerWaalsContact O-N 3.08Å; S307-C311 VanDerWaalsContact O-CB 3.25Å; S307-C311 WeakPolarHBondContact O-CB 3.3Å; S307-C311 PolarHBondContact O-N 3.48Å; S307-Q375 PolarHBondContact O-NE2 3.45Å; S307-Q375 PolarHBondContact O-OE1 2.79Å
308	I	76.7	Confident	66.8	Low	86 Å²	86	52.8 Å²	52.8	44%	0.441	30%	0.3	S	S	.	.	H	α-helix	trans	-71.6	-49.8	171.8	-68.9	165.5	0	0	0	110.2	L245 G304 I305 Y306 L310 C311 Y312	L245-I308 HydrophobicContact CD1-CG2 3.85Å; G304-I308 WeakPolarHBondContact O-CG1 3.23Å; G304-I308 PolarHBondContact O-N 3.25Å; I305-I308 PolarHBondContact O-N 3.25Å; Y306-I308 VanDerWaalsContact C-N 3.3Å; Y306-I308 PolarHBondContact O-N 2.91Å; I308-L310 PolarHBondContact O-N 2.79Å; I308-C311 WeakPolarHBondContact O-CB 3.28Å; I308-C311 PolarHBondContact O-N 3.48Å; I308-Y312 HydrophobicContact CG2-CD2 3.77Å; I308-Y312 HydrophobicContact CG2-CE2 3.81Å; I308-Y312 WeakPolarHBondContact O-CD2 3.27Å; I308-Y312 PolarHBondContact O-N 3.5Å
309	I	79.9	Confident	68.6	Low	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-63.5	-42.4	-179.8	-74.2	170.5	0	0	0	111.2	W241 F244 L245 F287 I305 Y306 C311 Y312 L313	W241-I309 HydrophobicContact CB-CD1 3.66Å; W241-I309 HydrophobicContact CD2-CD1 4.24Å; W241-I309 HydrophobicContact CE3-CD1 3.84Å; W241-I309 HydrophobicContact CG-CD1 4.21Å; F244-I309 HydrophobicContact CD1-CD1 4.3Å; F244-I309 HydrophobicContact CD1-CG2 3.64Å; F244-I309 HydrophobicContact CE1-CG2 3.5Å; F244-I309 VanDerWaalsContact CE1-CG2 3.5Å; L245-I309 HydrophobicContact CB-CG1 4.49Å; L245-I309 HydrophobicContact CD1-CG1 4.19Å; F287-I309 HydrophobicContact CD2-CG2 3.75Å; F287-I309 HydrophobicContact CE2-CB 3.98Å; F287-I309 HydrophobicContact CE2-CG2 3.47Å; F287-I309 VanDerWaalsContact CE2-CG2 3.47Å; F287-I309 HydrophobicContact CZ-CB 4.26Å; F287-I309 HydrophobicContact CZ-CG2 4.03Å; I305-I309 HydrophobicContact CG1-CD1 4.17Å; I305-I309 WeakPolarHBondContact O-CB 3.35Å; I305-I309 VanDerWaalsContact O-CG1 3.29Å; I305-I309 WeakPolarHBondContact O-CG1 3.27Å; I305-I309 PolarHBondContact O-N 3.47Å; Y306-I309 PolarHBondContact O-N 3.17Å; I309-C311 PolarHBondContact O-N 3.31Å; I309-Y312 PolarHBondContact O-N 2.86Å; I309-L313 HydrophobicContact CG2-CD1 4.16Å; I309-L313 HydrophobicContact CG2-CG 4.47Å; I309-L313 WeakPolarHBondContact O-CG 3.42Å; I309-L313 PolarHBondContact O-N 3.39Å
310	L	83.4	Confident	70.1	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-60.2	-46.3	174.5	-176.1	52.3	0	0	0	110.8	I284 F287 Y306 I308 Y312 L313 L314 L372 Q375 L376	I284-L310 HydrophobicContact CD1-CD1 4.37Å; I284-L310 HydrophobicContact CG1-CD1 4.45Å; I284-L310 HydrophobicContact CG2-CD1 4.32Å; F287-L310 HydrophobicContact CD1-CD1 4.48Å; F287-L310 HydrophobicContact CE1-CB 3.9Å; F287-L310 HydrophobicContact CE1-CD1 4.35Å; F287-L310 HydrophobicContact CZ-CB 4.4Å; Y306-L310 VanDerWaalsContact O-CB 3.28Å; Y306-L310 WeakPolarHBondContact O-CB 3.41Å; Y306-L310 PolarHBondContact O-N 2.96Å; I308-L310 PolarHBondContact O-N 2.79Å; L310-Y312 VanDerWaalsContact C-N 3.35Å; L310-Y312 PolarHBondContact O-N 2.94Å; L310-L313 PolarHBondContact O-N 2.84Å; L310-L314 HydrophobicContact CD1-CD1 3.85Å; L310-L314 HydrophobicContact CD1-CG 4.07Å; L310-L314 HydrophobicContact CG-CD1 3.72Å; L310-L314 HydrophobicContact CG-CG 4.42Å; L310-L314 WeakPolarHBondContact O-CB 3.4Å; L310-L314 WeakPolarHBondContact O-CD1 3.47Å; L310-L314 WeakPolarHBondContact O-CG 3.4Å; L310-L314 PolarHBondContact O-N 2.86Å; L310-L372 HydrophobicContact CB-CD2 4.35Å; L310-L372 HydrophobicContact CD2-CB 4.14Å; L310-L372 HydrophobicContact CD2-CD2 3.74Å; L310-Q375 HydrophobicContact CD2-CB 4.04Å; L310-L376 HydrophobicContact CD1-CD2 3.9Å; L310-L376 HydrophobicContact CD2-CD2 4.22Å; L310-L376 HydrophobicContact CD2-CG 4.21Å
311	C	80.9	Confident	71.8	Confident	48 Å²	48	46.3 Å²	46.3	32%	0.324	25%	0.245	S	C	.	.	H	α-helix	trans	-56.8	-44.3	172.9	-172.9	0	0	0	0	112.4	S307 I308 I309 L313 L314 N315	S307-C311 VanDerWaalsContact O-CB 3.25Å; S307-C311 WeakPolarHBondContact O-CB 3.3Å; S307-C311 PolarHBondContact O-N 3.48Å; I308-C311 WeakPolarHBondContact O-CB 3.28Å; I308-C311 PolarHBondContact O-N 3.48Å; I309-C311 PolarHBondContact O-N 3.31Å; C311-L313 PolarHBondContact O-N 2.93Å; C311-L314 PolarHBondContact O-N 2.94Å; C311-N315 VanDerWaalsContact O-CB 3.27Å; C311-N315 WeakPolarHBondContact O-CB 3.45Å; C311-N315 PolarHBondContact O-N 2.99Å; C311-N315 PolarHBondContact O-ND2 3.01Å; C311-N315 PolarHBondContact SG-ND2 2.75Å
312	Y	79.7	Confident	72.9	Confident	96 Å²	96	38.3 Å²	38.3	38%	0.376	21%	0.211	S	C	.	.	H	α-helix	trans	-63.5	-39.3	175.4	-90.7	-76.3	0	0	0	113.5	L245 I308 I309 L310 K316	L245-Y312 HydrophobicContact CD1-CD2 3.81Å; L245-Y312 HydrophobicContact CD1-CE2 3.85Å; L245-Y312 HydrophobicContact CG-CD2 4.31Å; L245-Y312 HydrophobicContact CG-CE2 4.38Å; I308-Y312 HydrophobicContact CG2-CD2 3.77Å; I308-Y312 HydrophobicContact CG2-CE2 3.81Å; I308-Y312 WeakPolarHBondContact O-CD2 3.27Å; I308-Y312 PolarHBondContact O-N 3.5Å; I309-Y312 PolarHBondContact O-N 2.86Å; L310-Y312 VanDerWaalsContact C-N 3.35Å; L310-Y312 PolarHBondContact O-N 2.94Å; Y312-K316 WeakPolarHBondContact O-CB 3.46Å; Y312-K316 WeakPolarHBondContact O-CG 3.37Å; Y312-K316 PolarHBondContact O-N 2.77Å
313	L	81.9	Confident	73.8	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.8	-47.8	175.1	-71.8	171.1	0	0	0	111	F244 L248 I254 V283 I284 F287 I309 L310 C311 K316 G317 A318	F244-L313 HydrophobicContact CE1-CD1 4.3Å; F244-L313 HydrophobicContact CE1-CD2 4.27Å; F244-L313 HydrophobicContact CE1-CG 4.47Å; F244-L313 HydrophobicContact CZ-CD2 4.32Å; L248-L313 HydrophobicContact CD1-CD2 4.14Å; L248-L313 HydrophobicContact CD1-CG 4.35Å; L248-L313 HydrophobicContact CD2-CD2 3.55Å; L248-L313 HydrophobicContact CG-CD2 4.49Å; I254-L313 HydrophobicContact CG2-CD2 3.87Å; V283-L313 HydrophobicContact CB-CD2 4.46Å; V283-L313 HydrophobicContact CG1-CD2 3.94Å; V283-L313 HydrophobicContact CG2-CD2 3.68Å; I284-L313 HydrophobicContact CD1-CB 4.35Å; I284-L313 HydrophobicContact CG1-CB 4.12Å; I284-L313 HydrophobicContact CG1-CD1 4.04Å; F287-L313 HydrophobicContact CB-CD1 4.01Å; F287-L313 HydrophobicContact CD1-CD1 4.17Å; F287-L313 HydrophobicContact CG-CD1 3.99Å; I309-L313 HydrophobicContact CG2-CD1 4.16Å; I309-L313 HydrophobicContact CG2-CG 4.47Å; I309-L313 WeakPolarHBondContact O-CG 3.42Å; I309-L313 PolarHBondContact O-N 3.39Å; L310-L313 PolarHBondContact O-N 2.84Å; C311-L313 PolarHBondContact O-N 2.93Å; L313-K316 PolarHBondContact O-N 2.87Å; L313-K316 VanDerWaalsContact O-N 3.14Å; L313-G317 PolarHBondContact O-N 3.25Å; L313-A318 HydrophobicContact CB-CB 4.03Å; L313-A318 WeakPolarHBondContact O-CB 3.37Å; L313-A318 PolarHBondContact O-N 3.11Å; L313-A318 VanDerWaalsContact O-N 3.1Å
314	L	80.3	Confident	74.3	Confident	23 Å²	23	38.9 Å²	38.9	12%	0.12	21%	0.211	C	C	.	.	H	α-helix	trans	-63.7	-45.4	-179.5	-65.1	165	0	0	0	111.5	I284 L310 C311 K316 G317 I320	I284-L314 HydrophobicContact CD1-CD2 3.74Å; I284-L314 HydrophobicContact CD1-CG 4.36Å; L310-L314 HydrophobicContact CD1-CD1 3.85Å; L310-L314 HydrophobicContact CD1-CG 4.07Å; L310-L314 HydrophobicContact CG-CD1 3.72Å; L310-L314 HydrophobicContact CG-CG 4.42Å; L310-L314 WeakPolarHBondContact O-CB 3.4Å; L310-L314 WeakPolarHBondContact O-CD1 3.47Å; L310-L314 WeakPolarHBondContact O-CG 3.4Å; L310-L314 PolarHBondContact O-N 2.86Å; C311-L314 PolarHBondContact O-N 2.94Å; L314-K316 PolarHBondContact O-N 3.31Å; L314-K316 VanDerWaalsContact O-N 3.15Å; L314-G317 PolarHBondContact O-N 3.36Å; L314-I320 HydrophobicContact CD2-CD1 4.2Å; L314-I320 HydrophobicContact CD2-CG2 3.44Å; L314-I320 VanDerWaalsContact CD2-CG2 3.44Å
315	N	77.5	Confident	74.1	Confident	127 Å²	127	41.4 Å²	41.4	68%	0.679	22%	0.22	S	C	*	.	H	α-helix	trans	-63.2	-18.1	175.2	-71.3	-23.3	0	0	0	113.8	C311	C311-N315 VanDerWaalsContact O-CB 3.27Å; C311-N315 WeakPolarHBondContact O-CB 3.45Å; C311-N315 PolarHBondContact O-N 2.99Å; C311-N315 PolarHBondContact O-ND2 3.01Å; C311-N315 PolarHBondContact SG-ND2 2.75Å
316	K	74.1	Confident	73.1	Confident	94 Å²	94	46.9 Å²	46.9	41%	0.409	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	7.1	174.5	-65.1	-91.3	-178.8	142.2	0	113	L248 I254 Y312 L313 L314	L248-K316 PolarHBondContact O-NZ 2.8Å; I254-K316 HydrophobicContact CD1-CB 3.49Å; I254-K316 VanDerWaalsContact CD1-CB 3.49Å; I254-K316 HydrophobicContact CD1-CD 3.76Å; I254-K316 HydrophobicContact CD1-CG 3.6Å; Y312-K316 WeakPolarHBondContact O-CB 3.46Å; Y312-K316 WeakPolarHBondContact O-CG 3.37Å; Y312-K316 PolarHBondContact O-N 2.77Å; L313-K316 PolarHBondContact O-N 2.87Å; L313-K316 VanDerWaalsContact O-N 3.14Å; L314-K316 PolarHBondContact O-N 3.31Å; L314-K316 VanDerWaalsContact O-N 3.15Å
317	G	69.9	Low	71.2	Confident	34 Å²	34	53.5 Å²	53.5	35%	0.351	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.6	31.7	178.4	0	0	0	0	0	114.3	N255 L313 L314 N319	N255-G317 PolarHBondContact ND2-O 3.03Å; L313-G317 PolarHBondContact O-N 3.25Å; L314-G317 PolarHBondContact O-N 3.36Å; G317-N319 PolarHBondContact O-OD1 3.1Å
318	A	75.9	Confident	69.7	Low	8 Å²	8	57.5 Å²	57.5	7%	0.066	31%	0.305	C	S	.	.			trans	-70.9	144.4	176.7	0	0	0	0	0	113	I254 N255 V283 I284 L313	I254-A318 HydrophobicContact CG2-CB 4.01Å; N255-A318 VanDerWaalsContact OD1-CA 3.31Å; N255-A318 WeakPolarHBondContact OD1-CA 3.3Å; V283-A318 HydrophobicContact CG1-CB 3.81Å; I284-A318 HydrophobicContact CD1-CB 3.54Å; I284-A318 HydrophobicContact CG1-CB 3.87Å; L313-A318 HydrophobicContact CB-CB 4.03Å; L313-A318 WeakPolarHBondContact O-CB 3.37Å; L313-A318 PolarHBondContact O-N 3.11Å; L313-A318 VanDerWaalsContact O-N 3.1Å
319	N	72.9	Confident	68.3	Low	5 Å²	5	57.4 Å²	57.4	3%	0.027	30%	0.3	C	S	.	.			trans	-82	120.7	-163.5	-59.2	-11.6	0	0	0	113.8	N255 G317 Y321 H332 G334 Y544	N255-N319 PolarHBondContact ND2-OD1 3.22Å; N255-N319 PolarHBondContact OD1-N 3.46Å; N255-N319 PolarHBondContact OD1-ND2 3.31Å; N255-N319 PolarHBondContact OD1-OD1 2.99Å; N255-N319 VanDerWaalsContact OD1-OD1 3.04Å; G317-N319 PolarHBondContact O-OD1 3.1Å; N319-Y321 HydrophobicContact CB-CD1 4.44Å; N319-Y321 HydrophobicContact CB-CE1 4.36Å; N319-H332 PolarHBondContact ND2-O 3.28Å; N319-G334 WeakPolarHBondContact O-CA 3.4Å; N319-G334 PolarHBondContact O-N 2.95Å; N319-Y544 HydrophobicContact CB-CD2 4.43Å; N319-Y544 HydrophobicContact CB-CE2 4.29Å; N319-Y544 VanDerWaalsContact CG-CZ 3.45Å; N319-Y544 VanDerWaalsContact ND2-CE2 3.32Å; N319-Y544 WeakPolarHBondContact ND2-CE2 3.4Å; N319-Y544 PolarHBondContact ND2-OH 3.11Å; N319-Y544 VanDerWaalsContact OD1-CD2 3.3Å; N319-Y544 WeakPolarHBondContact OD1-CD2 3.18Å; N319-Y544 WeakPolarHBondContact OD1-CE2 3.47Å
320	I	73	Confident	66.5	Low	17 Å²	17	62.2 Å²	62.2	9%	0.087	33%	0.33	C	S	.	.			trans	-120	19.3	-173.9	61.1	174.5	0	0	0	116	I284 L314 I335 L376 S379 L381	I284-I320 HydrophobicContact CD1-CG2 3.37Å; L314-I320 HydrophobicContact CD2-CD1 4.2Å; L314-I320 HydrophobicContact CD2-CG2 3.44Å; L314-I320 VanDerWaalsContact CD2-CG2 3.44Å; I320-I335 HydrophobicContact CB-CD1 4.31Å; I320-I335 HydrophobicContact CG2-CD1 4.28Å; I320-L376 HydrophobicContact CG2-CD2 4.12Å; I320-S379 VanDerWaalsContact CD1-O 3.31Å; I320-S379 WeakPolarHBondContact CD1-O 3.29Å; I320-L381 WeakPolarHBondContact O-CD1 3.48Å
321	Y	70.8	Confident	64.9	Low	75 Å²	75	65.6 Å²	65.6	29%	0.294	35%	0.352	S	S	.	.			trans	-71.1	149.9	169.2	70.6	-88.5	0	0	0	110	N319 I323 H332 G333 G334 I335 Y544	N319-Y321 HydrophobicContact CB-CD1 4.44Å; N319-Y321 HydrophobicContact CB-CE1 4.36Å; Y321-I323 HydrophobicContact CD2-CG1 4.27Å; Y321-I323 HydrophobicContact CE2-CD1 4.19Å; Y321-I323 HydrophobicContact CE2-CG1 3.67Å; Y321-H332 PolarHBondContact OH-O 2.97Å; Y321-G333 VanDerWaalsContact CE1-C 3.46Å; Y321-G333 VanDerWaalsContact CZ-C 3.5Å; Y321-G333 PolarHBondContact OH-N 2.75Å; Y321-G333 PolarHBondContact OH-O 3.15Å; Y321-G333 VanDerWaalsContact OH-O 3.09Å; Y321-G334 VanDerWaalsContact CE1-N 3.3Å; Y321-G334 CarbonylContact O-C 3.58Å; Y321-G334 WeakPolarHBondContact O-CA 3.37Å; Y321-I335 PolarHBondContact O-N 3.39Å; Y321-Y544 AromaticContact CD1-CD1 3.36Å; Y321-Y544 HydrophobicContact CD1-CD1 3.36Å; Y321-Y544 AromaticContact CD1-CE1 3.74Å; Y321-Y544 HydrophobicContact CD1-CE1 3.74Å; Y321-Y544 HydrophobicContact CD1-CG 4.27Å; Y321-Y544 AromaticContact CE1-CD1 3.57Å; Y321-Y544 HydrophobicContact CE1-CD1 3.57Å; Y321-Y544 AromaticContact CE1-CE1 3.39Å; Y321-Y544 HydrophobicContact CE1-CE1 3.39Å; Y321-Y544 HydrophobicContact CG-CD1 4.41Å
322	M	68.5	Low	63.5	Low	23 Å²	23	69 Å²	69	11%	0.113	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	146	176.6	-58.1	-163.1	-21.1	0	0	111.8	D324 I335 L337 L340 L381 T384 F387	M322-D324 VanDerWaalsContact CE-OD1 3.23Å; M322-D324 WeakPolarHBondContact CE-OD1 3.41Å; M322-I335 CarbonylContact C-O 3.4Å; M322-I335 WeakPolarHBondContact CA-O 3.18Å; M322-L337 HydrophobicContact CE-CD1 3.98Å; M322-L340 HydrophobicContact CG-CD1 3.63Å; M322-L340 HydrophobicContact SD-CD1 3.41Å; M322-L340 WeakPolarHBondContact SD-CD1 3.26Å; M322-L381 HydrophobicContact CG-CD1 3.42Å; M322-L381 VanDerWaalsContact CG-CD1 3.42Å; M322-L381 HydrophobicContact SD-CD1 4.06Å; M322-T384 HydrophobicContact CE-CG2 3.68Å; M322-T384 VanDerWaalsContact CE-N 3.31Å; M322-T384 WeakPolarHBondContact CE-OG1 3.37Å; M322-F387 HydrophobicContact CE-CB 3.56Å; M322-F387 HydrophobicContact CE-CG 4.48Å; M322-F387 HydrophobicContact SD-CB 3.83Å; M322-F387 HydrophobicContact SD-CD2 4.04Å; M322-F387 HydrophobicContact SD-CG 4.13Å
323	I	68.8	Low	62.7	Low	25 Å²	25	64.4 Å²	64.4	13%	0.128	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	102.5	167.2	-64.7	164.4	0	0	0	107.4	P281 Y321 T325 G333 I335 Q336 L337	P281-I323 HydrophobicContact CB-CD1 3.48Å; P281-I323 VanDerWaalsContact CB-CD1 3.48Å; P281-I323 HydrophobicContact CG-CD1 3.98Å; Y321-I323 HydrophobicContact CD2-CG1 4.27Å; Y321-I323 HydrophobicContact CE2-CD1 4.19Å; Y321-I323 HydrophobicContact CE2-CG1 3.67Å; I323-T325 VanDerWaalsContact C-N 3.27Å; I323-T325 WeakPolarHBondContact CG2-OG1 3.2Å; I323-G333 WeakPolarHBondContact CD1-O 3.42Å; I323-I335 PolarHBondContact N-O 3.3Å; I323-Q336 HydrophobicContact CB-CG 4.27Å; I323-Q336 HydrophobicContact CG2-CG 4.28Å; I323-L337 WeakPolarHBondContact O-CB 3.45Å; I323-L337 PolarHBondContact O-N 2.78Å
324	D	61.7	Low	62.2	Low	62 Å²	62	64.4 Å²	64.4	33%	0.332	35%	0.345	S	S	.	.			trans	-77.1	-12	176.7	-72.4	0.8	0	0	0	112.5	M322 L337 T384	M322-D324 VanDerWaalsContact CE-OD1 3.23Å; M322-D324 WeakPolarHBondContact CE-OD1 3.41Å; D324-L337 HydrophobicContact CB-CD2 4.43Å; D324-T384 PolarHBondContact OD1-OG1 2.86Å; D324-T384 VanDerWaalsContact OD2-CB 3.27Å; D324-T384 WeakPolarHBondContact OD2-CB 3.36Å; D324-T384 VanDerWaalsContact OD2-CG2 3.3Å; D324-T384 WeakPolarHBondContact OD2-CG2 3.21Å; D324-T384 PolarHBondContact OD2-OG1 3.19Å
325	T	56.1	Low	62.1	Low	82 Å²	82	63.3 Å²	63.3	50%	0.503	34%	0.339	S	S	.	.			trans	-85.8	135.2	-178.7	51.3	0	0	0	0	112.9	I323 H327	I323-T325 VanDerWaalsContact C-N 3.27Å; I323-T325 WeakPolarHBondContact CG2-OG1 3.2Å; T325-H327 PolarHBondContact O-N 2.76Å
326	L	49.5	Very low	62	Low	143 Å²	143	58.2 Å²	58.2	75%	0.749	31%	0.311	S	S	*	.			trans	-75.4	-4.6	171.2	-68	169	0	0	0	113.4
327	H	39.3	Very low	62	Low	145 Å²	145	54.1 Å²	54.1	67%	0.671	29%	0.294	S	S	*	.	S	Bend	trans	-73.6	150	-173.8	-69.7	-33.4	0	0	0	113.7	T325 Y329	T325-H327 PolarHBondContact O-N 2.76Å; H327-Y329 PolarHBondContact O-N 3.46Å; H327-Y329 VanDerWaalsContact O-N 3.12Å
328	P	43.2	Very low	62.1	Low	114 Å²	114	56.8 Å²	56.8	74%	0.74	30%	0.3	S	S	*	.			trans	-67.2	110.7	-176.9	26.5	-34.6	0	0	0	112.7
329	Y	47.5	Very low	62.2	Low	85 Å²	85	56.6 Å²	56.6	33%	0.333	30%	0.298	S	S	.	.			trans	24.8	97.2	157.2	-49.1	-68.5	0	0	0	118.7	I279 P281 H327 Q336	I279-Y329 HydrophobicContact CB-CD2 4.5Å; I279-Y329 HydrophobicContact CG2-CG 4.46Å; I279-Y329 VanDerWaalsContact O-CE2 3.25Å; I279-Y329 WeakPolarHBondContact O-CE2 3.23Å; I279-Y329 PolarHBondContact O-OH 3.19Å; P281-Y329 HydrophobicContact CB-CD1 4.42Å; P281-Y329 HydrophobicContact CG-CD1 4.01Å; P281-Y329 HydrophobicContact CG-CE1 3.75Å; H327-Y329 PolarHBondContact O-N 3.46Å; H327-Y329 VanDerWaalsContact O-N 3.12Å; Y329-Q336 VanDerWaalsContact CE1-NE2 3.25Å; Y329-Q336 PolarHBondContact OH-OE1 3.49Å
330	T	42.6	Very low	62.4	Low	101 Å²	101	56.3 Å²	56.3	62%	0.62	30%	0.297	S	S	*	.			trans	-81	130	140.9	56.4	0	0	0	0	108.4	H332	T330-H332 PolarHBondContact O-N 3.18Å
331	C	49.4	Very low	62.3	Low	70 Å²	70	56.3 Å²	56.3	47%	0.473	30%	0.298	S	S	.	.	S	Bend	trans	-77.6	41.7	-164.6	-60	0	0	0	0	114.7	Q258	Q258-C331 PolarHBondContact NE2-O 3.32Å
332	H	51.6	Low	62.6	Low	119 Å²	119	56.5 Å²	56.5	55%	0.551	30%	0.299	S	S	*	.	S	Bend	trans	-104.5	5.9	-166.4	-56.9	-46.1	0	0	0	115.6	N319 Y321 T330 Y544	N319-H332 PolarHBondContact ND2-O 3.28Å; Y321-H332 PolarHBondContact OH-O 2.97Å; T330-H332 PolarHBondContact O-N 3.18Å; H332-Y544 PolarHBondContact O-OH 3.09Å
333	G	62.4	Low	63.1	Low	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.295	C	S	.	.			trans	107.4	-157.4	178.9	0	0	0	0	0	113.4	P281 Y321 I323	P281-G333 WeakPolarHBondContact CB-O 3.44Å; P281-G333 CarbonylContact O-C 3.55Å; P281-G333 WeakPolarHBondContact O-CA 3.07Å; P281-G333 PolarHBondContact O-N 3.21Å; Y321-G333 VanDerWaalsContact CE1-C 3.46Å; Y321-G333 VanDerWaalsContact CZ-C 3.5Å; Y321-G333 PolarHBondContact OH-N 2.75Å; Y321-G333 PolarHBondContact OH-O 3.15Å; Y321-G333 VanDerWaalsContact OH-O 3.09Å; I323-G333 WeakPolarHBondContact CD1-O 3.42Å
334	G	72.1	Confident	63.3	Low	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.289	C	S	.	.			trans	83.8	178	174.6	0	0	0	0	0	114.7	S282 N319 Y321	S282-G334 WeakPolarHBondContact CB-O 3.22Å; S282-G334 PolarHBondContact OG-O 2.84Å; N319-G334 WeakPolarHBondContact O-CA 3.4Å; N319-G334 PolarHBondContact O-N 2.95Å; Y321-G334 VanDerWaalsContact CE1-N 3.3Å; Y321-G334 CarbonylContact O-C 3.58Å; Y321-G334 WeakPolarHBondContact O-CA 3.37Å
335	I	76.5	Confident	63.6	Low	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	127.2	180	-46.6	174.1	0	0	0	107.4	I284 D285 L288 I320 Y321 M322 I323 T339 L340 L376	I284-I335 HydrophobicContact CG2-CD1 3.64Å; I284-I335 HydrophobicContact CG2-CG1 3.89Å; D285-I335 HydrophobicContact CB-CG2 4.46Å; L288-I335 HydrophobicContact CD1-CD1 4.2Å; L288-I335 HydrophobicContact CD1-CG2 4.04Å; I320-I335 HydrophobicContact CB-CD1 4.31Å; I320-I335 HydrophobicContact CG2-CD1 4.28Å; Y321-I335 PolarHBondContact O-N 3.39Å; M322-I335 CarbonylContact C-O 3.4Å; M322-I335 WeakPolarHBondContact CA-O 3.18Å; I323-I335 PolarHBondContact N-O 3.3Å; I335-T339 HydrophobicContact CG2-CG2 4.1Å; I335-L340 HydrophobicContact CB-CD1 4.32Å; I335-L340 HydrophobicContact CB-CG 4.4Å; I335-L340 HydrophobicContact CD1-CD2 4.4Å; I335-L340 HydrophobicContact CG2-CD1 4.24Å; I335-L340 HydrophobicContact CG2-CD2 4.02Å; I335-L340 HydrophobicContact CG2-CG 3.78Å; I335-L376 HydrophobicContact CD1-CD1 4.14Å; I335-L376 HydrophobicContact CD1-CD2 3.84Å
336	Q	77.1	Confident	64.5	Low	20 Å²	20	51.1 Å²	51.1	9%	0.093	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	139.9	177.1	-97.6	174.2	-10.1	0	0	110.5	P281 D285 R289 I323 Y329 N338 T339 L340	P281-Q336 HydrophobicContact CG-CB 4.36Å; P281-Q336 HydrophobicContact CG-CG 3.74Å; D285-Q336 PolarHBondContact OD1-N 3.23Å; R289-Q336 VanDerWaalsContact CZ-OE1 3.27Å; I323-Q336 HydrophobicContact CB-CG 4.27Å; I323-Q336 HydrophobicContact CG2-CG 4.28Å; Y329-Q336 VanDerWaalsContact CE1-NE2 3.25Å; Y329-Q336 PolarHBondContact OH-OE1 3.49Å; Q336-N338 PolarHBondContact O-N 2.95Å; Q336-N338 VanDerWaalsContact O-N 3.17Å; Q336-T339 WeakPolarHBondContact O-CA 3.28Å; Q336-T339 WeakPolarHBondContact O-CB 2.8Å; Q336-T339 PolarHBondContact O-N 2.72Å; Q336-T339 PolarHBondContact O-OG1 2.89Å; Q336-L340 PolarHBondContact O-N 2.92Å
337	L	72.8	Confident	65.5	Low	9 Å²	9	44.3 Å²	44.3	5%	0.047	23%	0.23	C	C	.	.	H	α-helix	trans	-56.4	-34.6	-178.5	-177.1	63.4	0	0	0	112.8	M322 I323 D324 T339 L340 S341 L386 F387 I390	M322-L337 HydrophobicContact CE-CD1 3.98Å; I323-L337 WeakPolarHBondContact O-CB 3.45Å; I323-L337 PolarHBondContact O-N 2.78Å; D324-L337 HydrophobicContact CB-CD2 4.43Å; L337-T339 VanDerWaalsContact C-N 3.27Å; L337-T339 PolarHBondContact O-N 3.07Å; L337-L340 CarbonylContact O-C 3.51Å; L337-L340 PolarHBondContact O-N 2.57Å; L337-S341 WeakPolarHBondContact O-CB 3.13Å; L337-S341 PolarHBondContact O-N 3.38Å; L337-L386 HydrophobicContact CD2-CB 4.17Å; L337-L386 HydrophobicContact CD2-CD2 3.43Å; L337-L386 VanDerWaalsContact CD2-CD2 3.43Å; L337-L386 HydrophobicContact CD2-CG 3.7Å; L337-F387 HydrophobicContact CD1-CB 4.02Å; L337-I390 HydrophobicContact CD1-CD1 3.99Å; L337-I390 HydrophobicContact CD2-CD1 3.68Å; L337-I390 HydrophobicContact CG-CD1 3.66Å
338	N	72.5	Confident	66.6	Low	90 Å²	90	37.6 Å²	37.6	48%	0.481	20%	0.199	S	C	.	.	H	α-helix	trans	-62.4	-32.6	174.3	-65.4	6.9	0	0	0	112.8	Q336 S341 Y342	Q336-N338 PolarHBondContact O-N 2.95Å; Q336-N338 VanDerWaalsContact O-N 3.17Å; N338-S341 WeakPolarHBondContact O-CB 3.28Å; N338-S341 PolarHBondContact O-N 2.8Å; N338-Y342 WeakPolarHBondContact O-CB 3.35Å; N338-Y342 PolarHBondContact O-N 3.34Å
339	T	78.3	Confident	67.6	Low	3 Å²	3	34.8 Å²	34.8	2%	0.018	18%	0.177	C	C	.	.	H	α-helix	trans	-70.1	-39.7	176.1	-48.4	0	0	0	0	111.1	D285 L288 R289 I335 Q336 L337 L343	D285-T339 WeakPolarHBondContact OD1-CB 3.25Å; D285-T339 PolarHBondContact OD1-OG1 3.47Å; L288-T339 HydrophobicContact CB-CG2 3.65Å; L288-T339 HydrophobicContact CD1-CG2 4.29Å; R289-T339 HydrophobicContact CG-CG2 3.69Å; R289-T339 VanDerWaalsContact CZ-OG1 3.23Å; R289-T339 PolarHBondContact NE-OG1 3.41Å; R289-T339 PolarHBondContact NH2-OG1 3.36Å; I335-T339 HydrophobicContact CG2-CG2 4.1Å; Q336-T339 WeakPolarHBondContact O-CA 3.28Å; Q336-T339 WeakPolarHBondContact O-CB 2.8Å; Q336-T339 PolarHBondContact O-N 2.72Å; Q336-T339 PolarHBondContact O-OG1 2.89Å; L337-T339 VanDerWaalsContact C-N 3.27Å; L337-T339 PolarHBondContact O-N 3.07Å; T339-L343 WeakPolarHBondContact O-CB 3.49Å; T339-L343 PolarHBondContact O-N 3.27Å
340	L	76.9	Confident	68.5	Low	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-71.5	-39.3	174.1	-66.5	172.4	0	0	0	111.1	M322 I335 Q336 L337 Y342 L343 C344 L376 L381 F387	M322-L340 HydrophobicContact CG-CD1 3.63Å; M322-L340 HydrophobicContact SD-CD1 3.41Å; M322-L340 WeakPolarHBondContact SD-CD1 3.26Å; I335-L340 HydrophobicContact CB-CD1 4.32Å; I335-L340 HydrophobicContact CB-CG 4.4Å; I335-L340 HydrophobicContact CD1-CD2 4.4Å; I335-L340 HydrophobicContact CG2-CD1 4.24Å; I335-L340 HydrophobicContact CG2-CD2 4.02Å; I335-L340 HydrophobicContact CG2-CG 3.78Å; Q336-L340 PolarHBondContact O-N 2.92Å; L337-L340 CarbonylContact O-C 3.51Å; L337-L340 PolarHBondContact O-N 2.57Å; L340-Y342 VanDerWaalsContact C-N 3.31Å; L340-Y342 PolarHBondContact O-N 2.97Å; L340-L343 HydrophobicContact CD2-CD2 4.32Å; L340-L343 PolarHBondContact O-N 2.87Å; L340-C344 WeakPolarHBondContact O-CB 3.45Å; L340-C344 PolarHBondContact O-N 3.46Å; L340-C344 PolarHBondContact O-SG 3.24Å; L340-L376 HydrophobicContact CD2-CD1 3.88Å; L340-L381 HydrophobicContact CD1-CD1 4.11Å; L340-L381 HydrophobicContact CD1-CD2 4.35Å; L340-L381 HydrophobicContact CD2-CD2 4.28Å; L340-F387 HydrophobicContact CB-CD2 4.05Å; L340-F387 HydrophobicContact CB-CE2 4.21Å; L340-F387 HydrophobicContact CD1-CD2 4.32Å
341	S	71.3	Confident	69.5	Low	17 Å²	17	27.4 Å²	27.4	12%	0.119	14%	0.139	C	C	.	.	H	α-helix	trans	-53.6	-48	171.5	-174.2	0	0	0	0	111.9	L337 N338 C344 E345 I390	L337-S341 WeakPolarHBondContact O-CB 3.13Å; L337-S341 PolarHBondContact O-N 3.38Å; N338-S341 WeakPolarHBondContact O-CB 3.28Å; N338-S341 PolarHBondContact O-N 2.8Å; S341-C344 WeakPolarHBondContact O-CB 3.46Å; S341-C344 PolarHBondContact O-N 3.12Å; S341-E345 WeakPolarHBondContact O-CB 3.22Å; S341-E345 PolarHBondContact O-N 2.83Å; S341-I390 VanDerWaalsContact CB-CG2 3.43Å; S341-I390 WeakPolarHBondContact OG-CG2 3.44Å
342	Y	76.6	Confident	70	Confident	79 Å²	79	25 Å²	25	31%	0.31	12%	0.122	S	C	.	.	H	α-helix	trans	-65.3	-43.6	176.9	176.2	-99	0	0	0	112.2	L293 N338 L340 C344 E345 Q346	L293-Y342 HydrophobicContact CD2-CE2 3.88Å; L293-Y342 WeakPolarHBondContact CD2-OH 3.32Å; L293-Y342 VanDerWaalsContact CG-OH 3.28Å; L293-Y342 WeakPolarHBondContact CG-OH 3.42Å; N338-Y342 WeakPolarHBondContact O-CB 3.35Å; N338-Y342 PolarHBondContact O-N 3.34Å; L340-Y342 VanDerWaalsContact C-N 3.31Å; L340-Y342 PolarHBondContact O-N 2.97Å; Y342-C344 VanDerWaalsContact C-N 3.3Å; Y342-C344 PolarHBondContact O-N 3.4Å; Y342-E345 PolarHBondContact O-N 3.37Å; Y342-Q346 HydrophobicContact CE1-CG 4.39Å; Y342-Q346 WeakPolarHBondContact O-CG 3.46Å; Y342-Q346 PolarHBondContact O-N 3.42Å
343	L	79.3	Confident	70.4	Confident	6 Å²	6	21.8 Å²	21.8	3%	0.031	11%	0.109	C	C	.	.	H	α-helix	trans	-58.6	-43.1	172.8	180	61.5	0	0	0	111.2	L288 T339 L340 Q346 T347 H369 L372 L373 L376	L288-L343 HydrophobicContact CD2-CD2 4.42Å; T339-L343 WeakPolarHBondContact O-CB 3.49Å; T339-L343 PolarHBondContact O-N 3.27Å; L340-L343 HydrophobicContact CD2-CD2 4.32Å; L340-L343 PolarHBondContact O-N 2.87Å; L343-Q346 PolarHBondContact O-N 3.45Å; L343-T347 WeakPolarHBondContact O-CG2 3.33Å; L343-T347 PolarHBondContact O-N 2.93Å; L343-H369 HydrophobicContact CD1-CB 3.82Å; L343-L372 HydrophobicContact CD1-CB 4.45Å; L343-L373 HydrophobicContact CD2-CB 4.06Å; L343-L373 HydrophobicContact CD2-CD1 4.14Å; L343-L373 HydrophobicContact CG-CB 4.43Å; L343-L376 HydrophobicContact CD2-CD1 3.91Å
344	C	72.1	Confident	70.1	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-64.6	-40.5	176.6	-64.9	0	0	0	0	112	L340 S341 Y342 T347 A348 F387 Y391	L340-C344 WeakPolarHBondContact O-CB 3.45Å; L340-C344 PolarHBondContact O-N 3.46Å; L340-C344 PolarHBondContact O-SG 3.24Å; S341-C344 WeakPolarHBondContact O-CB 3.46Å; S341-C344 PolarHBondContact O-N 3.12Å; Y342-C344 VanDerWaalsContact C-N 3.3Å; Y342-C344 PolarHBondContact O-N 3.4Å; C344-T347 WeakPolarHBondContact CA-OG1 3.2Å; C344-T347 PolarHBondContact O-N 3.04Å; C344-T347 VanDerWaalsContact O-N 3.16Å; C344-T347 PolarHBondContact O-OG1 3.09Å; C344-A348 PolarHBondContact O-N 2.84Å; C344-F387 VanDerWaalsContact SG-CE2 3.56Å; C344-Y391 HydrophobicContact CB-CD2 3.82Å
345	E	69	Low	68.9	Low	57 Å²	57	24.8 Å²	24.8	27%	0.266	13%	0.126	S	C	.	.	H	α-helix	trans	-63.6	-41.4	173.5	-173.8	161.6	-141.4	0	0	111.8	S341 Y342 T347 A348 I349 K394	S341-E345 WeakPolarHBondContact O-CB 3.22Å; S341-E345 PolarHBondContact O-N 2.83Å; Y342-E345 PolarHBondContact O-N 3.37Å; E345-T347 VanDerWaalsContact C-N 3.32Å; E345-T347 PolarHBondContact O-N 2.61Å; E345-A348 WeakPolarHBondContact O-CB 3.44Å; E345-A348 PolarHBondContact O-N 2.63Å; E345-A348 VanDerWaalsContact O-N 3.17Å; E345-I349 HydrophobicContact CG-CD1 4.11Å; E345-I349 VanDerWaalsContact O-CG1 3.32Å; E345-I349 WeakPolarHBondContact O-CG1 3.34Å; E345-I349 PolarHBondContact O-N 3.41Å; E345-K394 HydrophobicContact CB-CB 4.47Å; E345-K394 HydrophobicContact CB-CD 4.12Å; E345-K394 HydrophobicContact CB-CG 4.46Å; E345-K394 HydrophobicContact CG-CD 4.16Å; E345-K394 IonicContact OE1-NZ 2.81Å; E345-K394 PolarHBondContact OE1-NZ 3.45Å; E345-K394 IonicContact OE2-NZ 2.62Å; E345-K394 PolarHBondContact OE2-NZ 3.34Å
346	Q	74	Confident	67.5	Low	16 Å²	16	29.5 Å²	29.5	8%	0.075	15%	0.148	C	C	.	.	H	α-helix	trans	-64.5	-35.1	171	-63.2	-43.1	-59.6	0	0	112.4	L293 Y342 L343 Q350 H369	L293-Q346 VanDerWaalsContact CD2-CD 3.42Å; L293-Q346 HydrophobicContact CD2-CG 4.32Å; L293-Q346 VanDerWaalsContact CD2-NE2 3.31Å; Y342-Q346 HydrophobicContact CE1-CG 4.39Å; Y342-Q346 WeakPolarHBondContact O-CG 3.46Å; Y342-Q346 PolarHBondContact O-N 3.42Å; L343-Q346 PolarHBondContact O-N 3.45Å; Q346-Q350 WeakPolarHBondContact O-CB 3.38Å; Q346-Q350 VanDerWaalsContact O-CG 3.32Å; Q346-Q350 WeakPolarHBondContact O-CG 3.47Å; Q346-Q350 PolarHBondContact O-N 3.45Å; Q346-H369 HydrophobicContact CB-CB 4.32Å
347	T	70.2	Confident	65.8	Low	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-63.7	-42.8	170.3	67.3	0	0	0	0	111.9	L343 C344 E345 I349 Q350 L351 H369 A370 L373 F460	L343-T347 WeakPolarHBondContact O-CG2 3.33Å; L343-T347 PolarHBondContact O-N 2.93Å; C344-T347 WeakPolarHBondContact CA-OG1 3.2Å; C344-T347 PolarHBondContact O-N 3.04Å; C344-T347 VanDerWaalsContact O-N 3.16Å; C344-T347 PolarHBondContact O-OG1 3.09Å; E345-T347 VanDerWaalsContact C-N 3.32Å; E345-T347 PolarHBondContact O-N 2.61Å; T347-I349 PolarHBondContact O-N 3.24Å; T347-Q350 PolarHBondContact O-N 3.37Å; T347-L351 WeakPolarHBondContact O-CB 3.36Å; T347-L351 PolarHBondContact O-N 2.83Å; T347-H369 VanDerWaalsContact CG2-C 3.5Å; T347-H369 HydrophobicContact CG2-CB 3.76Å; T347-A370 HydrophobicContact CG2-CB 4.17Å; T347-L373 HydrophobicContact CG2-CD2 4.45Å; T347-F460 HydrophobicContact CG2-CZ 4.41Å; T347-F460 WeakPolarHBondContact O-CZ 3.5Å
348	A	63.2	Low	64.2	Low	3 Å²	3	40.9 Å²	40.9	3%	0.025	20%	0.195	C	C	.	.	H	α-helix	trans	-59.5	-48.1	177.3	0	0	0	0	0	112.2	C344 E345 Q350 L351 D352 L395 C398	C344-A348 PolarHBondContact O-N 2.84Å; E345-A348 WeakPolarHBondContact O-CB 3.44Å; E345-A348 PolarHBondContact O-N 2.63Å; E345-A348 VanDerWaalsContact O-N 3.17Å; A348-Q350 VanDerWaalsContact C-N 3.34Å; A348-Q350 PolarHBondContact O-N 3.13Å; A348-L351 PolarHBondContact O-N 2.89Å; A348-D352 WeakPolarHBondContact O-CB 3.41Å; A348-D352 PolarHBondContact O-N 3.01Å; A348-D352 VanDerWaalsContact O-N 3.1Å; A348-L395 HydrophobicContact CB-CB 4.49Å; A348-L395 HydrophobicContact CB-CD2 3.6Å; A348-L395 HydrophobicContact CB-CG 3.94Å; A348-C398 HydrophobicContact CB-CB 4.17Å
349	I	64.5	Low	62.3	Low	55 Å²	55	43 Å²	43	28%	0.282	21%	0.206	S	C	.	.	H	α-helix	trans	-63	-38.8	178.1	-66.5	163.3	0	0	0	111.2	E345 T347 N353	E345-I349 HydrophobicContact CG-CD1 4.11Å; E345-I349 VanDerWaalsContact O-CG1 3.32Å; E345-I349 WeakPolarHBondContact O-CG1 3.34Å; E345-I349 PolarHBondContact O-N 3.41Å; T347-I349 PolarHBondContact O-N 3.24Å; I349-N353 VanDerWaalsContact O-CB 3.27Å; I349-N353 WeakPolarHBondContact O-CB 3.45Å; I349-N353 PolarHBondContact O-N 2.87Å; I349-N353 PolarHBondContact O-ND2 3.11Å
350	Q	66.7	Low	60.4	Low	15 Å²	15	45.7 Å²	45.7	7%	0.07	22%	0.22	C	C	.	.	H	α-helix	trans	-75.1	-35.8	179.2	-77.2	-173.1	-26.3	0	0	114.3	Q346 T347 A348 S354 I367 H369	Q346-Q350 WeakPolarHBondContact O-CB 3.38Å; Q346-Q350 VanDerWaalsContact O-CG 3.32Å; Q346-Q350 WeakPolarHBondContact O-CG 3.47Å; Q346-Q350 PolarHBondContact O-N 3.45Å; T347-Q350 PolarHBondContact O-N 3.37Å; A348-Q350 VanDerWaalsContact C-N 3.34Å; A348-Q350 PolarHBondContact O-N 3.13Å; Q350-S354 WeakPolarHBondContact O-CB 3.45Å; Q350-S354 PolarHBondContact O-N 3.49Å; Q350-S354 PolarHBondContact O-OG 3Å; Q350-S354 VanDerWaalsContact O-OG 3.11Å; Q350-I367 VanDerWaalsContact CD-O 3.25Å; Q350-I367 PolarHBondContact NE2-O 3.21Å; Q350-I367 PolarHBondContact OE1-O 3.34Å; Q350-H369 PolarHBondContact NE2-ND1 3.45Å; Q350-H369 PolarHBondContact OE1-ND1 3.19Å
351	L	63.8	Low	58.1	Low	16 Å²	16	50.8 Å²	50.8	8%	0.084	25%	0.253	C	S	.	.	H	α-helix	trans	-55.6	-58	169.5	177.8	58.8	0	0	0	108.8	T347 A348 N353 S354 L355 L395 F424 L457 F460	T347-L351 WeakPolarHBondContact O-CB 3.36Å; T347-L351 PolarHBondContact O-N 2.83Å; A348-L351 PolarHBondContact O-N 2.89Å; L351-N353 PolarHBondContact O-N 2.95Å; L351-S354 PolarHBondContact O-N 3.48Å; L351-S354 PolarHBondContact O-OG 3.4Å; L351-L355 HydrophobicContact CD1-CD1 3.63Å; L351-L355 HydrophobicContact CD1-CG 4.43Å; L351-L355 HydrophobicContact CG-CD1 3.88Å; L351-L355 WeakPolarHBondContact O-CB 3.2Å; L351-L355 WeakPolarHBondContact O-CD1 3.15Å; L351-L355 WeakPolarHBondContact O-CG 3.48Å; L351-L355 PolarHBondContact O-N 3.05Å; L351-L395 HydrophobicContact CD2-CD2 4.04Å; L351-F424 HydrophobicContact CD2-CE2 4.26Å; L351-L457 HydrophobicContact CD1-CD1 3.49Å; L351-L457 VanDerWaalsContact CD1-CD1 3.49Å; L351-F460 HydrophobicContact CB-CD1 4.5Å; L351-F460 HydrophobicContact CB-CD2 4.15Å; L351-F460 HydrophobicContact CB-CE1 4.09Å; L351-F460 HydrophobicContact CB-CE2 3.7Å; L351-F460 HydrophobicContact CB-CZ 3.71Å; L351-F460 HydrophobicContact CD1-CB 4.44Å; L351-F460 HydrophobicContact CD1-CD1 4.44Å; L351-F460 HydrophobicContact CD1-CD2 3.79Å; L351-F460 HydrophobicContact CD1-CE2 4.23Å; L351-F460 HydrophobicContact CD1-CG 3.95Å; L351-F460 HydrophobicContact CD2-CD1 4.38Å; L351-F460 HydrophobicContact CD2-CE1 4.49Å; L351-F460 HydrophobicContact CG-CD2 4.49Å
352	D	58.7	Low	56.4	Low	20 Å²	20	56.4 Å²	56.4	11%	0.107	28%	0.282	C	S	.	.	H	α-helix	trans	-55.9	-50.2	179.4	179.9	14.6	0	0	0	113.1	A348 S354 L355 Q356 K402	A348-D352 WeakPolarHBondContact O-CB 3.41Å; A348-D352 PolarHBondContact O-N 3.01Å; A348-D352 VanDerWaalsContact O-N 3.1Å; D352-S354 PolarHBondContact O-N 3.29Å; D352-L355 CarbonylContact O-C 3.42Å; D352-L355 WeakPolarHBondContact O-CA 3.37Å; D352-L355 WeakPolarHBondContact O-CB 3.21Å; D352-L355 PolarHBondContact O-N 3.4Å; D352-Q356 PolarHBondContact O-N 3.15Å; D352-Q356 VanDerWaalsContact O-N 3.11Å; D352-K402 IonicContact OD1-NZ 3.83Å; D352-K402 PolarHBondContact OD1-NZ 3.33Å; D352-K402 VanDerWaalsContact OD2-CD 3.31Å; D352-K402 WeakPolarHBondContact OD2-CD 3.23Å; D352-K402 VanDerWaalsContact OD2-CE 3.3Å; D352-K402 WeakPolarHBondContact OD2-CE 3.25Å; D352-K402 IonicContact OD2-NZ 3.4Å; D352-K402 PolarHBondContact OD2-NZ 3.17Å
353	N	60.9	Low	54.6	Low	52 Å²	52	54.8 Å²	54.8	28%	0.278	28%	0.278	S	S	.	.	H	α-helix	trans	-61.1	-42.3	176.9	-73.7	-13.8	0	0	0	112.9	I349 L351 L355 Q356 I357	I349-N353 VanDerWaalsContact O-CB 3.27Å; I349-N353 WeakPolarHBondContact O-CB 3.45Å; I349-N353 PolarHBondContact O-N 2.87Å; I349-N353 PolarHBondContact O-ND2 3.11Å; L351-N353 PolarHBondContact O-N 2.95Å; N353-L355 PolarHBondContact O-N 3.4Å; N353-L355 VanDerWaalsContact O-N 3.12Å; N353-Q356 PolarHBondContact O-N 3.38Å; N353-I357 WeakPolarHBondContact O-CG1 3.17Å; N353-I357 PolarHBondContact O-N 2.71Å
354	S	55.9	Low	52.8	Low	20 Å²	20	59.6 Å²	59.6	14%	0.14	30%	0.304	C	S	.	.	H	α-helix	trans	-64.5	-13.8	175.7	75.8	0	0	0	0	113.5	Q350 L351 D352	Q350-S354 WeakPolarHBondContact O-CB 3.45Å; Q350-S354 PolarHBondContact O-N 3.49Å; Q350-S354 PolarHBondContact O-OG 3Å; Q350-S354 VanDerWaalsContact O-OG 3.11Å; L351-S354 PolarHBondContact O-N 3.48Å; L351-S354 PolarHBondContact O-OG 3.4Å; D352-S354 PolarHBondContact O-N 3.29Å
355	L	46.6	Very low	51.9	Low	42 Å²	42	63.4 Å²	63.4	22%	0.22	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-0.1	-179.5	-64.9	170.1	0	0	0	113.8	L351 D352 N353 K431 L457	L351-L355 HydrophobicContact CD1-CD1 3.63Å; L351-L355 HydrophobicContact CD1-CG 4.43Å; L351-L355 HydrophobicContact CG-CD1 3.88Å; L351-L355 WeakPolarHBondContact O-CB 3.2Å; L351-L355 WeakPolarHBondContact O-CD1 3.15Å; L351-L355 WeakPolarHBondContact O-CG 3.48Å; L351-L355 PolarHBondContact O-N 3.05Å; D352-L355 CarbonylContact O-C 3.42Å; D352-L355 WeakPolarHBondContact O-CA 3.37Å; D352-L355 WeakPolarHBondContact O-CB 3.21Å; D352-L355 PolarHBondContact O-N 3.4Å; N353-L355 PolarHBondContact O-N 3.4Å; N353-L355 VanDerWaalsContact O-N 3.12Å; L355-K431 HydrophobicContact CB-CD 4.1Å; L355-K431 HydrophobicContact CD1-CB 4.05Å; L355-K431 HydrophobicContact CD1-CD 3.76Å; L355-K431 HydrophobicContact CD1-CG 3.67Å; L355-K431 HydrophobicContact CD2-CB 3.86Å; L355-K431 HydrophobicContact CD2-CD 4.04Å; L355-K431 HydrophobicContact CD2-CG 4.21Å; L355-K431 HydrophobicContact CG-CD 4.18Å; L355-K431 HydrophobicContact CG-CG 4.45Å; L355-L457 HydrophobicContact CD2-CD1 4.21Å; L355-L457 HydrophobicContact CD2-CD2 4.13Å
356	Q	47.2	Very low	51.5	Low	100 Å²	100	64.1 Å²	64.1	47%	0.467	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-34.8	174.4	-72.1	-164.1	-35.5	0	0	112.9	D352 N353 R358 K402	D352-Q356 PolarHBondContact O-N 3.15Å; D352-Q356 VanDerWaalsContact O-N 3.11Å; N353-Q356 PolarHBondContact O-N 3.38Å; Q356-R358 PolarHBondContact O-N 3.44Å; Q356-R358 VanDerWaalsContact O-N 3.13Å; Q356-K402 VanDerWaalsContact NE2-NZ 3.18Å
357	I	42.3	Very low	51.2	Low	83 Å²	83	63.7 Å²	63.7	43%	0.426	33%	0.325	S	S	.	.			trans	-82.7	97.3	-172.8	-53.8	169.1	0	0	0	110.2	N353 N359 I360	N353-I357 WeakPolarHBondContact O-CG1 3.17Å; N353-I357 PolarHBondContact O-N 2.71Å; I357-N359 VanDerWaalsContact CG2-O 3.31Å; I357-N359 WeakPolarHBondContact CG2-O 3.48Å; I357-N359 PolarHBondContact O-N 3.12Å; I357-N359 VanDerWaalsContact O-N 3.15Å; I357-I360 HydrophobicContact CB-CD1 4.06Å; I357-I360 HydrophobicContact CB-CG1 3.72Å; I357-I360 HydrophobicContact CD1-CD1 4.46Å; I357-I360 HydrophobicContact CG2-CD1 4.42Å; I357-I360 HydrophobicContact CG2-CG1 3.56Å
358	R	38.4	Very low	51.2	Low	184 Å²	184	64.8 Å²	64.8	69%	0.694	33%	0.33	S	S	*	.	S	Bend	trans	-58.7	-22.8	177.6	-74.3	-175.1	173.7	178.4	-2.5	114.5	Q356	Q356-R358 PolarHBondContact O-N 3.44Å; Q356-R358 VanDerWaalsContact O-N 3.13Å
359	N	33.3	Very low	51.8	Low	134 Å²	134	64.9 Å²	64.9	72%	0.717	33%	0.33	S	S	*	.			trans	-124.3	91.3	178	-73.6	-35.3	0	0	0	110.2	I357 P361	I357-N359 VanDerWaalsContact CG2-O 3.31Å; I357-N359 WeakPolarHBondContact CG2-O 3.48Å; I357-N359 PolarHBondContact O-N 3.12Å; I357-N359 VanDerWaalsContact O-N 3.15Å; N359-P361 VanDerWaalsContact O-CD 3.26Å; N359-P361 WeakPolarHBondContact O-CD 3.16Å
360	I	37.4	Very low	52.1	Low	61 Å²	61	62.2 Å²	62.2	31%	0.313	32%	0.317	S	S	.	.			trans	-109.3	81.7	162.2	-45.5	175.4	0	0	0	109.4	I357 N362 N363	I357-I360 HydrophobicContact CB-CD1 4.06Å; I357-I360 HydrophobicContact CB-CG1 3.72Å; I357-I360 HydrophobicContact CD1-CD1 4.46Å; I357-I360 HydrophobicContact CG2-CD1 4.42Å; I357-I360 HydrophobicContact CG2-CG1 3.56Å; I360-N362 PolarHBondContact O-N 2.85Å; I360-N363 HydrophobicContact CG2-CB 3.63Å
361	P	29.2	Very low	52.3	Low	107 Å²	107	61.6 Å²	61.6	70%	0.695	31%	0.314	S	S	*	.	S	Bend	trans	-62.8	124.9	163	28.6	-32.6	0	0	0	108.6	N359	N359-P361 VanDerWaalsContact O-CD 3.26Å; N359-P361 WeakPolarHBondContact O-CD 3.16Å
362	N	35.9	Very low	53.1	Low	135 Å²	135	60.9 Å²	60.9	72%	0.722	31%	0.31	S	S	*	.			trans	51.8	77	174.2	-56.6	-10.3	0	0	0	114.4	I360 D364	I360-N362 PolarHBondContact O-N 2.85Å; N362-D364 PolarHBondContact O-N 3.08Å
363	N	38.5	Very low	53.9	Low	44 Å²	44	59.9 Å²	59.9	24%	0.235	31%	0.305	C	S	.	.			trans	-69.8	16.7	179.6	-151.5	-3.2	0	0	0	114.6	I360 Q365 M366	I360-N363 HydrophobicContact CG2-CB 3.63Å; N363-Q365 PolarHBondContact O-N 2.8Å; N363-M366 PolarHBondContact O-N 3.13Å
364	D	42.2	Very low	54.3	Low	107 Å²	107	59.4 Å²	59.4	57%	0.572	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	26	179.4	-60.4	-40	0	0	0	113	V303 N362	V303-D364 WeakPolarHBondContact CB-O 3.17Å; V303-D364 WeakPolarHBondContact CG2-O 3.24Å; N362-D364 PolarHBondContact O-N 3.08Å
365	Q	51.4	Low	55.1	Low	81 Å²	81	60.7 Å²	60.7	38%	0.379	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121	-5.9	176.3	-63.3	-164.6	11.7	0	0	113.8	Q295 C300 V303 N363	Q295-Q365 VanDerWaalsContact CD-O 3.29Å; Q295-Q365 PolarHBondContact OE1-O 2.75Å; C300-Q365 PolarHBondContact SG-NE2 3.46Å; C300-Q365 VanDerWaalsContact SG-NE2 3.45Å; V303-Q365 VanDerWaalsContact CG2-CA 3.42Å; N363-Q365 PolarHBondContact O-N 2.8Å
366	M	60.7	Low	56.4	Low	71 Å²	71	58.7 Å²	58.7	35%	0.35	29%	0.293	S	S	.	.	S	Bend	trans	-99	143.6	178.2	-68.7	-158.1	172.9	0	0	113.2	N363 D368 I456	N363-M366 PolarHBondContact O-N 3.13Å; M366-D368 PolarHBondContact O-N 3.36Å; M366-I456 HydrophobicContact CB-CD1 4.09Å; M366-I456 HydrophobicContact SD-CD1 4.46Å
367	I	67.9	Low	57.4	Low	8 Å²	8	55.2 Å²	55.2	4%	0.041	28%	0.277	C	S	.	.			trans	-77.1	115.9	175.4	-58.1	175.6	0	0	0	108	I291 P292 Q295 Y306 Q350 H369 L372	I291-I367 HydrophobicContact CG2-CD1 3.62Å; I291-I367 HydrophobicContact CG2-CG2 4.14Å; P292-I367 HydrophobicContact CG-CD1 4.28Å; P292-I367 WeakPolarHBondContact O-CD1 3.37Å; Q295-I367 HydrophobicContact CG-CD1 4.08Å; Q295-I367 HydrophobicContact CG-CG1 4Å; Q295-I367 VanDerWaalsContact NE2-CG1 3.28Å; Y306-I367 HydrophobicContact CD2-CD1 3.98Å; Y306-I367 HydrophobicContact CD2-CG1 3.91Å; Y306-I367 HydrophobicContact CD2-CG2 4.08Å; Y306-I367 HydrophobicContact CE2-CD1 3.58Å; Y306-I367 HydrophobicContact CE2-CG1 3.81Å; Y306-I367 HydrophobicContact CG-CG2 4.33Å; Q350-I367 VanDerWaalsContact CD-O 3.25Å; Q350-I367 PolarHBondContact NE2-O 3.21Å; Q350-I367 PolarHBondContact OE1-O 3.34Å; I367-H369 VanDerWaalsContact C-N 3.32Å; I367-H369 PolarHBondContact O-N 3.21Å; I367-H369 PolarHBondContact O-ND1 2.75Å; I367-L372 HydrophobicContact CG2-CD1 3.96Å
368	D	71.4	Confident	58.3	Low	22 Å²	22	54.3 Å²	54.3	12%	0.118	27%	0.273	C	S	.	.			trans	-72.9	81.8	177.6	-178.4	13.2	0	0	0	111.3	M366 A370 G371 L372 R374 S459	M366-D368 PolarHBondContact O-N 3.36Å; D368-A370 PolarHBondContact O-N 2.75Å; D368-A370 PolarHBondContact OD1-N 3.34Å; D368-G371 CarbonylContact O-C 3.5Å; D368-G371 WeakPolarHBondContact O-CA 3.23Å; D368-G371 PolarHBondContact O-N 2.66Å; D368-G371 PolarHBondContact OD1-N 2.78Å; D368-G371 VanDerWaalsContact OD2-CA 3.27Å; D368-G371 WeakPolarHBondContact OD2-CA 3.37Å; D368-G371 PolarHBondContact OD2-N 3.22Å; D368-L372 PolarHBondContact O-N 2.86Å; D368-R374 IonicContact OD2-NH2 2.75Å; D368-S459 WeakPolarHBondContact OD1-CB 3.28Å; D368-S459 WeakPolarHBondContact OD2-CB 2.85Å; D368-S459 PolarHBondContact OD2-OG 3.48Å
369	H	76.1	Confident	59.5	Low	5 Å²	5	47.8 Å²	47.8	2%	0.023	26%	0.256	C	S	.	.	H	α-helix	trans	-62.4	-31.7	179.2	-68.8	104.4	0	0	0	112	L343 Q346 T347 Q350 I367 G371 L372 L373	L343-H369 HydrophobicContact CD1-CB 3.82Å; Q346-H369 HydrophobicContact CB-CB 4.32Å; T347-H369 VanDerWaalsContact CG2-C 3.5Å; T347-H369 HydrophobicContact CG2-CB 3.76Å; Q350-H369 PolarHBondContact NE2-ND1 3.45Å; Q350-H369 PolarHBondContact OE1-ND1 3.19Å; I367-H369 VanDerWaalsContact C-N 3.32Å; I367-H369 PolarHBondContact O-N 3.21Å; I367-H369 PolarHBondContact O-ND1 2.75Å; H369-G371 VanDerWaalsContact C-N 3.32Å; H369-L372 PolarHBondContact O-N 2.87Å; H369-L373 WeakPolarHBondContact O-CB 3.3Å; H369-L373 PolarHBondContact O-N 3.02Å
370	A	69.2	Low	60.7	Low	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-67.6	-36.7	173.6	0	0	0	0	0	110.9	T347 D368 L373 R374 F460	T347-A370 HydrophobicContact CG2-CB 4.17Å; D368-A370 PolarHBondContact O-N 2.75Å; D368-A370 PolarHBondContact OD1-N 3.34Å; A370-L373 PolarHBondContact O-N 3.05Å; A370-R374 WeakPolarHBondContact O-CB 3.21Å; A370-R374 PolarHBondContact O-N 2.92Å; A370-F460 HydrophobicContact CB-CD1 4.21Å; A370-F460 HydrophobicContact CB-CD2 4.24Å; A370-F460 HydrophobicContact CB-CE1 3.89Å; A370-F460 HydrophobicContact CB-CE2 3.93Å; A370-F460 HydrophobicContact CB-CG 4.33Å; A370-F460 HydrophobicContact CB-CZ 3.69Å
371	G	71.6	Confident	62.1	Low	2 Å²	2	39.5 Å²	39.5	2%	0.021	22%	0.216	C	C	.	.	H	α-helix	trans	-63.7	-40.3	170.4	0	0	0	0	0	113.8	D368 H369 Q375	D368-G371 CarbonylContact O-C 3.5Å; D368-G371 WeakPolarHBondContact O-CA 3.23Å; D368-G371 PolarHBondContact O-N 2.66Å; D368-G371 PolarHBondContact OD1-N 2.78Å; D368-G371 VanDerWaalsContact OD2-CA 3.27Å; D368-G371 WeakPolarHBondContact OD2-CA 3.37Å; D368-G371 PolarHBondContact OD2-N 3.22Å; H369-G371 VanDerWaalsContact C-N 3.32Å; G371-Q375 WeakPolarHBondContact O-CG 3.31Å; G371-Q375 PolarHBondContact O-N 3.1Å
372	L	80.5	Confident	63.6	Low	0 Å²	0	38 Å²	38	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.3	-46.2	173.7	-64.1	175.6	0	0	0	111.4	I291 L310 L343 I367 D368 H369 R374 Q375 L376	I291-L372 HydrophobicContact CD1-CD1 3.59Å; L310-L372 HydrophobicContact CB-CD2 4.35Å; L310-L372 HydrophobicContact CD2-CB 4.14Å; L310-L372 HydrophobicContact CD2-CD2 3.74Å; L343-L372 HydrophobicContact CD1-CB 4.45Å; I367-L372 HydrophobicContact CG2-CD1 3.96Å; D368-L372 PolarHBondContact O-N 2.86Å; H369-L372 PolarHBondContact O-N 2.87Å; L372-R374 PolarHBondContact O-N 2.8Å; L372-Q375 WeakPolarHBondContact O-CB 3.19Å; L372-Q375 PolarHBondContact O-N 3.35Å; L372-Q375 VanDerWaalsContact O-N 3.13Å; L372-L376 WeakPolarHBondContact O-CG 3.27Å; L372-L376 PolarHBondContact O-N 3.37Å
373	L	76.1	Confident	64.6	Low	0 Å²	0	33 Å²	33	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.9	-41.6	176.7	-176.9	57	0	0	0	111.5	L343 T347 H369 A370 Q375 L376 L377 L381 F387 Y391 L463	L343-L373 HydrophobicContact CD2-CB 4.06Å; L343-L373 HydrophobicContact CD2-CD1 4.14Å; L343-L373 HydrophobicContact CG-CB 4.43Å; T347-L373 HydrophobicContact CG2-CD2 4.45Å; H369-L373 WeakPolarHBondContact O-CB 3.3Å; H369-L373 PolarHBondContact O-N 3.02Å; A370-L373 PolarHBondContact O-N 3.05Å; L373-Q375 PolarHBondContact O-N 3.5Å; L373-L376 PolarHBondContact O-N 2.96Å; L373-L377 HydrophobicContact CG-CD1 4.28Å; L373-L377 WeakPolarHBondContact O-CG 2.96Å; L373-L377 PolarHBondContact O-N 2.88Å; L373-L381 HydrophobicContact CD1-CD2 4.44Å; L373-F387 HydrophobicContact CD1-CE2 4.02Å; L373-F387 HydrophobicContact CD1-CZ 3.97Å; L373-F387 HydrophobicContact CD2-CZ 4.28Å; L373-Y391 HydrophobicContact CD2-CD2 4.44Å; L373-Y391 HydrophobicContact CD2-CE2 4.18Å; L373-L463 HydrophobicContact CD2-CD1 4.36Å; L373-L463 HydrophobicContact CD2-CD2 3.95Å; L373-L463 HydrophobicContact CG-CD1 4.3Å
374	R	69.4	Low	65.3	Low	41 Å²	41	33 Å²	33	16%	0.155	18%	0.178	C	C	.	.	H	α-helix	trans	-60	-40.6	170.7	178.6	-175	61.7	-150.1	-15.1	112.1	D368 A370 L372 L377 N378 S459 I462	D368-R374 IonicContact OD2-NH2 2.75Å; A370-R374 WeakPolarHBondContact O-CB 3.21Å; A370-R374 PolarHBondContact O-N 2.92Å; L372-R374 PolarHBondContact O-N 2.8Å; R374-L377 PolarHBondContact O-N 2.84Å; R374-N378 VanDerWaalsContact O-CB 3.22Å; R374-N378 WeakPolarHBondContact O-CB 3.42Å; R374-N378 PolarHBondContact O-N 2.9Å; R374-N378 PolarHBondContact O-OD1 3.08Å; R374-S459 PolarHBondContact NH1-OG 3.28Å; R374-S459 PolarHBondContact NH2-OG 2.94Å; R374-I462 HydrophobicContact CG-CG2 4.43Å
375	Q	72	Confident	65.5	Low	48 Å²	48	37 Å²	37	22%	0.224	19%	0.191	C	C	.	.	H	α-helix	trans	-62.3	-45.3	175.3	-81.7	-177.1	-32.3	0	0	111.7	S307 L310 G371 L372 L373 N378 S379	S307-Q375 PolarHBondContact O-NE2 3.45Å; S307-Q375 PolarHBondContact O-OE1 2.79Å; L310-Q375 HydrophobicContact CD2-CB 4.04Å; G371-Q375 WeakPolarHBondContact O-CG 3.31Å; G371-Q375 PolarHBondContact O-N 3.1Å; L372-Q375 WeakPolarHBondContact O-CB 3.19Å; L372-Q375 PolarHBondContact O-N 3.35Å; L372-Q375 VanDerWaalsContact O-N 3.13Å; L373-Q375 PolarHBondContact O-N 3.5Å; Q375-N378 PolarHBondContact O-N 3.12Å; Q375-S379 WeakPolarHBondContact O-CB 3.3Å; Q375-S379 PolarHBondContact O-N 3.17Å; Q375-S379 PolarHBondContact O-OG 3.36Å
376	L	74.2	Confident	65.3	Low	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-59.5	-48.5	176.4	-65.7	171.7	0	0	0	111.9	I284 L288 L310 I320 I335 L340 L343 L372 L373 S379 G380 L381	I284-L376 HydrophobicContact CG2-CD2 4.08Å; L288-L376 HydrophobicContact CD1-CD1 3.94Å; L310-L376 HydrophobicContact CD1-CD2 3.9Å; L310-L376 HydrophobicContact CD2-CD2 4.22Å; L310-L376 HydrophobicContact CD2-CG 4.21Å; I320-L376 HydrophobicContact CG2-CD2 4.12Å; I335-L376 HydrophobicContact CD1-CD1 4.14Å; I335-L376 HydrophobicContact CD1-CD2 3.84Å; L340-L376 HydrophobicContact CD2-CD1 3.88Å; L343-L376 HydrophobicContact CD2-CD1 3.91Å; L372-L376 WeakPolarHBondContact O-CG 3.27Å; L372-L376 PolarHBondContact O-N 3.37Å; L373-L376 PolarHBondContact O-N 2.96Å; L376-S379 PolarHBondContact O-N 2.98Å; L376-G380 PolarHBondContact O-N 3.35Å; L376-L381 HydrophobicContact CB-CB 4.13Å; L376-L381 HydrophobicContact CB-CD2 3.75Å; L376-L381 HydrophobicContact CD1-CD2 4.44Å; L376-L381 WeakPolarHBondContact O-CB 3.22Å; L376-L381 PolarHBondContact O-N 3.33Å
377	L	67	Low	64.9	Low	27 Å²	27	33.4 Å²	33.4	14%	0.141	18%	0.175	C	C	.	.	H	α-helix	trans	-61.6	-45.7	177.7	-69.7	169.3	0	0	0	111.9	L373 R374 S379 G380 L381 P383 L463 F467	L373-L377 HydrophobicContact CG-CD1 4.28Å; L373-L377 WeakPolarHBondContact O-CG 2.96Å; L373-L377 PolarHBondContact O-N 2.88Å; R374-L377 PolarHBondContact O-N 2.84Å; L377-S379 VanDerWaalsContact C-N 3.32Å; L377-S379 PolarHBondContact O-N 3.28Å; L377-G380 PolarHBondContact O-N 3.33Å; L377-G380 VanDerWaalsContact O-N 3.11Å; L377-L381 HydrophobicContact CD2-CB 4.36Å; L377-L381 HydrophobicContact CD2-CD2 4.01Å; L377-L381 HydrophobicContact CD2-CG 4.25Å; L377-L381 HydrophobicContact CG-CD2 4.32Å; L377-P383 HydrophobicContact CD2-CG 4.02Å; L377-L463 HydrophobicContact CD1-CD1 3.45Å; L377-L463 VanDerWaalsContact CD1-CD1 3.45Å; L377-F467 HydrophobicContact CD1-CE1 4.03Å; L377-F467 HydrophobicContact CD1-CZ 4.12Å
378	N	62.1	Low	64.1	Low	64 Å²	64	34.6 Å²	34.6	34%	0.342	18%	0.18	S	C	.	.	H	α-helix	trans	-63.6	-34.7	177.9	-73.8	3.7	0	0	0	112.6	R374 Q375 G380	R374-N378 VanDerWaalsContact O-CB 3.22Å; R374-N378 WeakPolarHBondContact O-CB 3.42Å; R374-N378 PolarHBondContact O-N 2.9Å; R374-N378 PolarHBondContact O-OD1 3.08Å; Q375-N378 PolarHBondContact O-N 3.12Å; N378-G380 VanDerWaalsContact C-N 3.28Å; N378-G380 PolarHBondContact O-N 3.43Å
379	S	63.5	Low	63	Low	46 Å²	46	37.8 Å²	37.8	32%	0.322	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-3	176.1	-69.7	0	0	0	0	114.3	I320 Q375 L376 L377	I320-S379 VanDerWaalsContact CD1-O 3.31Å; I320-S379 WeakPolarHBondContact CD1-O 3.29Å; Q375-S379 WeakPolarHBondContact O-CB 3.3Å; Q375-S379 PolarHBondContact O-N 3.17Å; Q375-S379 PolarHBondContact O-OG 3.36Å; L376-S379 PolarHBondContact O-N 2.98Å; L377-S379 VanDerWaalsContact C-N 3.32Å; L377-S379 PolarHBondContact O-N 3.28Å
380	G	58.3	Low	61.9	Low	18 Å²	18	39 Å²	39	19%	0.186	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	115.5	11.5	167.7	0	0	0	0	0	116.5	L376 L377 N378 I382 R537	L376-G380 PolarHBondContact O-N 3.35Å; L377-G380 PolarHBondContact O-N 3.33Å; L377-G380 VanDerWaalsContact O-N 3.11Å; N378-G380 VanDerWaalsContact C-N 3.28Å; N378-G380 PolarHBondContact O-N 3.43Å; G380-I382 PolarHBondContact O-N 2.85Å; G380-R537 PolarHBondContact O-NH2 3Å; G380-R537 VanDerWaalsContact O-NH2 3.11Å
381	L	66.5	Low	61.2	Low	4 Å²	4	39.6 Å²	39.6	2%	0.021	21%	0.205	C	C	.	.			trans	-49.2	128.9	167.3	174.2	69.3	0	0	0	109.3	I320 M322 L340 L373 L376 L377 P383	I320-L381 WeakPolarHBondContact O-CD1 3.48Å; M322-L381 HydrophobicContact CG-CD1 3.42Å; M322-L381 VanDerWaalsContact CG-CD1 3.42Å; M322-L381 HydrophobicContact SD-CD1 4.06Å; L340-L381 HydrophobicContact CD1-CD1 4.11Å; L340-L381 HydrophobicContact CD1-CD2 4.35Å; L340-L381 HydrophobicContact CD2-CD2 4.28Å; L373-L381 HydrophobicContact CD1-CD2 4.44Å; L376-L381 HydrophobicContact CB-CB 4.13Å; L376-L381 HydrophobicContact CB-CD2 3.75Å; L376-L381 HydrophobicContact CD1-CD2 4.44Å; L376-L381 WeakPolarHBondContact O-CB 3.22Å; L376-L381 PolarHBondContact O-N 3.33Å; L377-L381 HydrophobicContact CD2-CB 4.36Å; L377-L381 HydrophobicContact CD2-CD2 4.01Å; L377-L381 HydrophobicContact CD2-CG 4.25Å; L377-L381 HydrophobicContact CG-CD2 4.32Å; L381-P383 WeakPolarHBondContact O-CD 3.35Å
382	I	61.2	Low	60.2	Low	75 Å²	75	41.9 Å²	41.9	39%	0.385	22%	0.218	S	C	.	.			trans	-102.6	105.4	175.7	-67.1	164.1	0	0	0	107.3	G380 T384 R537 F545	G380-I382 PolarHBondContact O-N 2.85Å; I382-T384 PolarHBondContact O-N 3.22Å; I382-R537 VanDerWaalsContact CG1-NH2 3.27Å; I382-F545 HydrophobicContact CD1-CD2 4.15Å; I382-F545 HydrophobicContact CD1-CE2 3.38Å; I382-F545 HydrophobicContact CD1-CZ 3.91Å
383	P	57.4	Low	58.9	Low	29 Å²	29	44.8 Å²	44.8	19%	0.188	23%	0.234	C	C	.	.			trans	-71.4	124.5	175.4	28.5	-33.1	0	0	0	110.2	L377 L381 F387 F388	L377-P383 HydrophobicContact CD2-CG 4.02Å; L381-P383 WeakPolarHBondContact O-CD 3.35Å; P383-F387 HydrophobicContact CB-CB 4.29Å; P383-F387 HydrophobicContact CB-CD1 3.3Å; P383-F387 HydrophobicContact CB-CE1 3.76Å; P383-F387 HydrophobicContact CB-CG 3.86Å; P383-F388 HydrophobicContact CB-CD2 4.28Å; P383-F388 HydrophobicContact CB-CE2 3.5Å; P383-F388 VanDerWaalsContact CB-CE2 3.5Å; P383-F388 HydrophobicContact CB-CZ 3.77Å; P383-F388 HydrophobicContact CG-CE2 3.54Å; P383-F388 HydrophobicContact CG-CZ 3.56Å
384	T	51.9	Low	57.9	Low	44 Å²	44	47.3 Å²	47.3	27%	0.27	25%	0.245	S	C	.	.			trans	-80.6	167.1	173.7	66.9	0	0	0	0	110.5	M322 D324 I382 L386 F387 F388	M322-T384 HydrophobicContact CE-CG2 3.68Å; M322-T384 VanDerWaalsContact CE-N 3.31Å; M322-T384 WeakPolarHBondContact CE-OG1 3.37Å; D324-T384 PolarHBondContact OD1-OG1 2.86Å; D324-T384 VanDerWaalsContact OD2-CB 3.27Å; D324-T384 WeakPolarHBondContact OD2-CB 3.36Å; D324-T384 VanDerWaalsContact OD2-CG2 3.3Å; D324-T384 WeakPolarHBondContact OD2-CG2 3.21Å; D324-T384 PolarHBondContact OD2-OG1 3.19Å; I382-T384 PolarHBondContact O-N 3.22Å; T384-L386 PolarHBondContact O-N 2.87Å; T384-L386 VanDerWaalsContact O-N 3.08Å; T384-F387 PolarHBondContact O-N 3.15Å; T384-F387 VanDerWaalsContact O-N 3.07Å; T384-F388 VanDerWaalsContact O-CD2 3.3Å; T384-F388 WeakPolarHBondContact O-CD2 3.25Å; T384-F388 PolarHBondContact O-N 2.94Å
385	K	46.6	Very low	57.2	Low	193 Å²	193	45.6 Å²	45.6	84%	0.839	24%	0.239	S	C	*	.	H	α-helix	trans	-52.8	-31.2	175.5	-67.5	-178.8	179.1	177.6	0	112.5	F388 L389	K385-F388 PolarHBondContact O-N 3.4Å; K385-L389 PolarHBondContact O-N 2.95Å
386	L	48.1	Very low	55.9	Low	75 Å²	75	44.5 Å²	44.5	39%	0.393	24%	0.235	S	C	.	.	H	α-helix	trans	-77.8	-33.7	-179.1	-162.5	62	0	0	0	112.6	L337 T384 F388 L389 I390	L337-L386 HydrophobicContact CD2-CB 4.17Å; L337-L386 HydrophobicContact CD2-CD2 3.43Å; L337-L386 VanDerWaalsContact CD2-CD2 3.43Å; L337-L386 HydrophobicContact CD2-CG 3.7Å; T384-L386 PolarHBondContact O-N 2.87Å; T384-L386 VanDerWaalsContact O-N 3.08Å; L386-F388 VanDerWaalsContact C-N 3.3Å; L386-F388 PolarHBondContact O-N 3.3Å; L386-L389 HydrophobicContact CD1-CD2 4.21Å; L386-L389 PolarHBondContact O-N 3.18Å; L386-I390 HydrophobicContact CG-CD1 4.37Å; L386-I390 WeakPolarHBondContact O-CB 3.37Å; L386-I390 VanDerWaalsContact O-CG1 3.31Å; L386-I390 WeakPolarHBondContact O-CG1 3.27Å; L386-I390 PolarHBondContact O-N 3.23Å
387	F	51.4	Low	54.5	Low	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-60.8	-40.1	166.1	166.1	-79.9	0	0	0	111.5	M322 L337 L340 C344 L373 P383 T384 I390 Y391 F467	M322-F387 HydrophobicContact CE-CB 3.56Å; M322-F387 HydrophobicContact CE-CG 4.48Å; M322-F387 HydrophobicContact SD-CB 3.83Å; M322-F387 HydrophobicContact SD-CD2 4.04Å; M322-F387 HydrophobicContact SD-CG 4.13Å; L337-F387 HydrophobicContact CD1-CB 4.02Å; L340-F387 HydrophobicContact CB-CD2 4.05Å; L340-F387 HydrophobicContact CB-CE2 4.21Å; L340-F387 HydrophobicContact CD1-CD2 4.32Å; C344-F387 VanDerWaalsContact SG-CE2 3.56Å; L373-F387 HydrophobicContact CD1-CE2 4.02Å; L373-F387 HydrophobicContact CD1-CZ 3.97Å; L373-F387 HydrophobicContact CD2-CZ 4.28Å; P383-F387 HydrophobicContact CB-CB 4.29Å; P383-F387 HydrophobicContact CB-CD1 3.3Å; P383-F387 HydrophobicContact CB-CE1 3.76Å; P383-F387 HydrophobicContact CB-CG 3.86Å; T384-F387 PolarHBondContact O-N 3.15Å; T384-F387 VanDerWaalsContact O-N 3.07Å; F387-I390 PolarHBondContact O-N 3.5Å; F387-Y391 VanDerWaalsContact O-CB 3.31Å; F387-Y391 WeakPolarHBondContact O-CB 3.22Å; F387-Y391 PolarHBondContact O-N 3.2Å; F387-F467 HydrophobicContact CE1-CE1 4.18Å; F387-F467 HydrophobicContact CE1-CZ 4.06Å; F387-F467 HydrophobicContact CZ-CZ 4.4Å
388	F	50.9	Low	53.7	Low	34 Å²	34	48.4 Å²	48.4	15%	0.149	26%	0.256	C	S	.	.	H	α-helix	trans	-64.5	-47.5	177.6	-79.5	-71.1	0	0	0	112.4	P383 T384 K385 L386 I390 Y391 T392 F467 L472	P383-F388 HydrophobicContact CB-CD2 4.28Å; P383-F388 HydrophobicContact CB-CE2 3.5Å; P383-F388 VanDerWaalsContact CB-CE2 3.5Å; P383-F388 HydrophobicContact CB-CZ 3.77Å; P383-F388 HydrophobicContact CG-CE2 3.54Å; P383-F388 HydrophobicContact CG-CZ 3.56Å; T384-F388 VanDerWaalsContact O-CD2 3.3Å; T384-F388 WeakPolarHBondContact O-CD2 3.25Å; T384-F388 PolarHBondContact O-N 2.94Å; K385-F388 PolarHBondContact O-N 3.4Å; L386-F388 VanDerWaalsContact C-N 3.3Å; L386-F388 PolarHBondContact O-N 3.3Å; F388-I390 VanDerWaalsContact C-N 3.32Å; F388-I390 PolarHBondContact O-N 3.01Å; F388-Y391 PolarHBondContact O-N 3.36Å; F388-T392 PolarHBondContact O-N 2.98Å; F388-T392 PolarHBondContact O-OG1 2.84Å; F388-F467 AromaticContact CE1-CD1 3.5Å; F388-F467 HydrophobicContact CE1-CD1 3.5Å; F388-F467 AromaticContact CE1-CE1 3.61Å; F388-F467 HydrophobicContact CE1-CE1 3.61Å; F388-F467 HydrophobicContact CE1-CG 4.23Å; F388-F467 HydrophobicContact CE1-CZ 4.4Å; F388-F467 AromaticContact CZ-CD1 3.9Å; F388-F467 HydrophobicContact CZ-CD1 3.9Å; F388-F467 AromaticContact CZ-CE1 3.94Å; F388-F467 HydrophobicContact CZ-CE1 3.94Å; F388-L472 HydrophobicContact CE1-CB 4.01Å; F388-L472 HydrophobicContact CE1-CD1 4.25Å; F388-L472 HydrophobicContact CE2-CB 4.39Å; F388-L472 HydrophobicContact CE2-CD1 3.55Å; F388-L472 HydrophobicContact CE2-CG 4.34Å; F388-L472 HydrophobicContact CZ-CB 3.89Å; F388-L472 HydrophobicContact CZ-CD1 3.3Å; F388-L472 HydrophobicContact CZ-CG 4.11Å
389	L	49.7	Very low	52.9	Low	89 Å²	89	47.3 Å²	47.3	47%	0.466	25%	0.251	S	S	.	.	H	α-helix	trans	-52.7	-53.3	173.6	-160.6	93.7	0	0	0	109.8	K385 L386 Y391 T392 D393	K385-L389 PolarHBondContact O-N 2.95Å; L386-L389 HydrophobicContact CD1-CD2 4.21Å; L386-L389 PolarHBondContact O-N 3.18Å; L389-Y391 PolarHBondContact O-N 3.04Å; L389-T392 PolarHBondContact O-N 3.41Å; L389-T392 PolarHBondContact O-OG1 3.4Å; L389-D393 WeakPolarHBondContact CG-OD2 3.49Å; L389-D393 WeakPolarHBondContact O-CB 3.16Å; L389-D393 PolarHBondContact O-N 3.2Å; L389-D393 VanDerWaalsContact O-OD1 3.05Å
390	I	52.8	Low	51.7	Low	30 Å²	30	46.5 Å²	46.5	15%	0.154	24%	0.243	C	C	.	.	H	α-helix	trans	-61	-40.6	179.4	-74.9	170.2	0	0	0	113.2	L337 S341 L386 F387 F388 K394	L337-I390 HydrophobicContact CD1-CD1 3.99Å; L337-I390 HydrophobicContact CD2-CD1 3.68Å; L337-I390 HydrophobicContact CG-CD1 3.66Å; S341-I390 VanDerWaalsContact CB-CG2 3.43Å; S341-I390 WeakPolarHBondContact OG-CG2 3.44Å; L386-I390 HydrophobicContact CG-CD1 4.37Å; L386-I390 WeakPolarHBondContact O-CB 3.37Å; L386-I390 VanDerWaalsContact O-CG1 3.31Å; L386-I390 WeakPolarHBondContact O-CG1 3.27Å; L386-I390 PolarHBondContact O-N 3.23Å; F387-I390 PolarHBondContact O-N 3.5Å; F388-I390 VanDerWaalsContact C-N 3.32Å; F388-I390 PolarHBondContact O-N 3.01Å; I390-K394 HydrophobicContact CG2-CG 4.35Å; I390-K394 VanDerWaalsContact O-CB 3.22Å; I390-K394 WeakPolarHBondContact O-CB 3.43Å; I390-K394 VanDerWaalsContact O-CG 3.26Å; I390-K394 WeakPolarHBondContact O-CG 3.42Å; I390-K394 PolarHBondContact O-N 3.43Å
391	Y	54.9	Low	51	Low	13 Å²	13	52 Å²	52	5%	0.051	26%	0.261	C	S	.	.	H	α-helix	trans	-66.9	-46.2	178.5	178.6	-101.6	0	0	0	111.1	C344 L373 F387 F388 L389 L395 L463 F467	C344-Y391 HydrophobicContact CB-CD2 3.82Å; L373-Y391 HydrophobicContact CD2-CD2 4.44Å; L373-Y391 HydrophobicContact CD2-CE2 4.18Å; F387-Y391 VanDerWaalsContact O-CB 3.31Å; F387-Y391 WeakPolarHBondContact O-CB 3.22Å; F387-Y391 PolarHBondContact O-N 3.2Å; F388-Y391 PolarHBondContact O-N 3.36Å; L389-Y391 PolarHBondContact O-N 3.04Å; Y391-L395 HydrophobicContact CD1-CD1 3.92Å; Y391-L395 HydrophobicContact CD2-CD1 4.16Å; Y391-L395 HydrophobicContact CE1-CD1 3.42Å; Y391-L395 VanDerWaalsContact CE1-CD1 3.42Å; Y391-L395 HydrophobicContact CE2-CD1 3.72Å; Y391-L395 HydrophobicContact CG-CD1 4.27Å; Y391-L395 WeakPolarHBondContact O-CB 3.2Å; Y391-L395 PolarHBondContact O-N 3.19Å; Y391-L463 HydrophobicContact CE2-CD2 4.27Å; Y391-L463 WeakPolarHBondContact OH-CD2 3.29Å; Y391-F467 HydrophobicContact CD1-CE2 4.03Å; Y391-F467 HydrophobicContact CD1-CZ 4.45Å; Y391-F467 HydrophobicContact CE1-CD2 4.05Å; Y391-F467 AromaticContact CE1-CE2 3.45Å; Y391-F467 HydrophobicContact CE1-CE2 3.45Å; Y391-F467 VanDerWaalsContact CE1-CE2 3.45Å; Y391-F467 HydrophobicContact CE1-CZ 4.26Å; Y391-F467 HydrophobicContact CE2-CE2 4.31Å; Y391-F467 AromaticContact CZ-CE2 3.62Å
392	T	49.8	Very low	49.9	Very low	49 Å²	49	54.6 Å²	54.6	30%	0.301	27%	0.272	S	S	.	.	H	α-helix	trans	-63.9	-48	175.2	51.8	0	0	0	0	110.8	F388 L389 K394 L395 L396	F388-T392 PolarHBondContact O-N 2.98Å; F388-T392 PolarHBondContact O-OG1 2.84Å; L389-T392 PolarHBondContact O-N 3.41Å; L389-T392 PolarHBondContact O-OG1 3.4Å; T392-K394 PolarHBondContact O-N 3.37Å; T392-L395 PolarHBondContact O-N 3.04Å; T392-L396 WeakPolarHBondContact O-CB 3.16Å; T392-L396 PolarHBondContact O-N 3Å
393	D	52.2	Low	48.7	Very low	61 Å²	61	53.8 Å²	53.8	33%	0.326	27%	0.268	S	S	.	.	H	α-helix	trans	-67.2	-38.6	-174	-65	1.7	0	0	0	111.7	L389 L397	L389-D393 WeakPolarHBondContact CG-OD2 3.49Å; L389-D393 WeakPolarHBondContact O-CB 3.16Å; L389-D393 PolarHBondContact O-N 3.2Å; L389-D393 VanDerWaalsContact O-OD1 3.05Å; D393-L397 WeakPolarHBondContact O-CB 3.5Å; D393-L397 WeakPolarHBondContact O-CD1 3.22Å; D393-L397 WeakPolarHBondContact O-CG 3.31Å; D393-L397 PolarHBondContact O-N 3.12Å
394	K	57.1	Low	47.5	Very low	53 Å²	53	54.6 Å²	54.6	23%	0.23	27%	0.271	C	S	.	.	H	α-helix	trans	-71.2	-41.2	176.8	-74.1	-73.6	-174.4	158.4	0	112.6	E345 I390 T392 C398	E345-K394 HydrophobicContact CB-CB 4.47Å; E345-K394 HydrophobicContact CB-CD 4.12Å; E345-K394 HydrophobicContact CB-CG 4.46Å; E345-K394 HydrophobicContact CG-CD 4.16Å; E345-K394 IonicContact OE1-NZ 2.81Å; E345-K394 PolarHBondContact OE1-NZ 3.45Å; E345-K394 IonicContact OE2-NZ 2.62Å; E345-K394 PolarHBondContact OE2-NZ 3.34Å; I390-K394 HydrophobicContact CG2-CG 4.35Å; I390-K394 VanDerWaalsContact O-CB 3.22Å; I390-K394 WeakPolarHBondContact O-CB 3.43Å; I390-K394 VanDerWaalsContact O-CG 3.26Å; I390-K394 WeakPolarHBondContact O-CG 3.42Å; I390-K394 PolarHBondContact O-N 3.43Å; T392-K394 PolarHBondContact O-N 3.37Å; K394-C398 PolarHBondContact O-N 3.07Å; K394-C398 VanDerWaalsContact O-N 3.14Å; K394-C398 PolarHBondContact O-SG 3.02Å
395	L	52.8	Low	46.7	Very low	6 Å²	6	58.9 Å²	58.9	3%	0.031	29%	0.291	C	S	.	.	H	α-helix	trans	-61.2	-46.9	171.7	-88.6	162.8	0	0	0	111.5	A348 L351 Y391 T392 C398 N399 F424	A348-L395 HydrophobicContact CB-CB 4.49Å; A348-L395 HydrophobicContact CB-CD2 3.6Å; A348-L395 HydrophobicContact CB-CG 3.94Å; L351-L395 HydrophobicContact CD2-CD2 4.04Å; Y391-L395 HydrophobicContact CD1-CD1 3.92Å; Y391-L395 HydrophobicContact CD2-CD1 4.16Å; Y391-L395 HydrophobicContact CE1-CD1 3.42Å; Y391-L395 VanDerWaalsContact CE1-CD1 3.42Å; Y391-L395 HydrophobicContact CE2-CD1 3.72Å; Y391-L395 HydrophobicContact CG-CD1 4.27Å; Y391-L395 WeakPolarHBondContact O-CB 3.2Å; Y391-L395 PolarHBondContact O-N 3.19Å; T392-L395 PolarHBondContact O-N 3.04Å; L395-C398 PolarHBondContact O-N 3.11Å; L395-N399 PolarHBondContact O-N 3.09Å; L395-N399 PolarHBondContact O-ND2 3.17Å; L395-F424 HydrophobicContact CD1-CD2 4.1Å; L395-F424 HydrophobicContact CD1-CE2 3.7Å; L395-F424 HydrophobicContact CD2-CE2 4.11Å; L395-F424 HydrophobicContact CG-CE2 4.46Å
396	L	44.9	Very low	46.1	Very low	25 Å²	25	56 Å²	56	13%	0.131	28%	0.279	C	S	.	.	H	α-helix	trans	-67.8	-41	-179.1	179	139	0	0	0	111.4	T392 C398 N399 I400 Y420	T392-L396 WeakPolarHBondContact O-CB 3.16Å; T392-L396 PolarHBondContact O-N 3Å; L396-C398 VanDerWaalsContact C-N 3.35Å; L396-C398 PolarHBondContact O-N 3.34Å; L396-N399 PolarHBondContact O-N 3.18Å; L396-I400 HydrophobicContact CD1-CD1 4.32Å; L396-I400 HydrophobicContact CD2-CD1 3.47Å; L396-I400 VanDerWaalsContact CD2-CD1 3.47Å; L396-I400 HydrophobicContact CD2-CG1 4.26Å; L396-I400 HydrophobicContact CG-CD1 3.7Å; L396-I400 HydrophobicContact CG-CG1 4.14Å; L396-I400 WeakPolarHBondContact O-CB 3.46Å; L396-I400 WeakPolarHBondContact O-CG1 3.12Å; L396-I400 PolarHBondContact O-N 3.11Å; L396-Y420 HydrophobicContact CD1-CD1 3.61Å; L396-Y420 HydrophobicContact CD1-CE1 4.49Å; L396-Y420 HydrophobicContact CD1-CG 4.05Å; L396-Y420 VanDerWaalsContact CD1-O 3.28Å; L396-Y420 WeakPolarHBondContact CD1-O 3.03Å; L396-Y420 HydrophobicContact CD2-CD1 3.56Å; L396-Y420 HydrophobicContact CD2-CE1 3.92Å; L396-Y420 HydrophobicContact CG-CD1 4.24Å
397	L	46.5	Very low	45.3	Very low	85 Å²	85	55.1 Å²	55.1	45%	0.445	27%	0.274	S	S	.	.	H	α-helix	trans	-60.9	-39	173.1	-91.3	159.3	0	0	0	112.7	D393 K401	D393-L397 WeakPolarHBondContact O-CB 3.5Å; D393-L397 WeakPolarHBondContact O-CD1 3.22Å; D393-L397 WeakPolarHBondContact O-CG 3.31Å; D393-L397 PolarHBondContact O-N 3.12Å; L397-K401 VanDerWaalsContact O-CB 3.23Å; L397-K401 WeakPolarHBondContact O-CB 3.46Å; L397-K401 VanDerWaalsContact O-CG 3.23Å; L397-K401 WeakPolarHBondContact O-CG 3.19Å; L397-K401 PolarHBondContact O-N 3.32Å
398	C	49.1	Very low	44.4	Very low	23 Å²	23	62.3 Å²	62.3	16%	0.155	31%	0.313	C	S	.	.	H	α-helix	trans	-65.5	-48.5	175.3	-66.5	0	0	0	0	111.2	A348 K394 L395 L396 K402	A348-C398 HydrophobicContact CB-CB 4.17Å; K394-C398 PolarHBondContact O-N 3.07Å; K394-C398 VanDerWaalsContact O-N 3.14Å; K394-C398 PolarHBondContact O-SG 3.02Å; L395-C398 PolarHBondContact O-N 3.11Å; L396-C398 VanDerWaalsContact C-N 3.35Å; L396-C398 PolarHBondContact O-N 3.34Å; C398-K402 PolarHBondContact O-N 3.48Å
399	N	44.4	Very low	43.6	Very low	41 Å²	41	65.7 Å²	65.7	22%	0.219	33%	0.331	C	S	.	.	H	α-helix	trans	-65.6	-43.3	179.7	-69.8	-40.2	0	0	0	112.5	L395 L396 K402 L403 L427	L395-N399 PolarHBondContact O-N 3.09Å; L395-N399 PolarHBondContact O-ND2 3.17Å; L396-N399 PolarHBondContact O-N 3.18Å; N399-K402 PolarHBondContact O-N 3.37Å; N399-L403 PolarHBondContact O-N 2.84Å; N399-L427 HydrophobicContact CB-CD1 4.35Å
400	I	40.1	Very low	42.8	Very low	30 Å²	30	68.5 Å²	68.5	15%	0.154	35%	0.347	C	S	.	.	H	α-helix	trans	-67.8	-44.7	178.2	-74.1	-172.6	0	0	0	111	L396 K402 L403 L404 L411 Y420	L396-I400 HydrophobicContact CD1-CD1 4.32Å; L396-I400 HydrophobicContact CD2-CD1 3.47Å; L396-I400 VanDerWaalsContact CD2-CD1 3.47Å; L396-I400 HydrophobicContact CD2-CG1 4.26Å; L396-I400 HydrophobicContact CG-CD1 3.7Å; L396-I400 HydrophobicContact CG-CG1 4.14Å; L396-I400 WeakPolarHBondContact O-CB 3.46Å; L396-I400 WeakPolarHBondContact O-CG1 3.12Å; L396-I400 PolarHBondContact O-N 3.11Å; I400-K402 PolarHBondContact O-N 2.99Å; I400-L403 PolarHBondContact O-N 2.96Å; I400-L404 HydrophobicContact CG2-CD1 3.5Å; I400-L404 HydrophobicContact CG2-CG 3.86Å; I400-L404 WeakPolarHBondContact O-CB 3.16Å; I400-L404 VanDerWaalsContact O-CG 3.23Å; I400-L404 WeakPolarHBondContact O-CG 3.08Å; I400-L404 PolarHBondContact O-N 3.28Å; I400-L411 HydrophobicContact CG2-CD1 4.35Å; I400-Y420 HydrophobicContact CD1-CE1 4.3Å
401	K	43.7	Very low	42	Very low	133 Å²	133	72.1 Å²	72.1	58%	0.578	37%	0.366	S	S	*	.	H	α-helix	trans	-55	-40.2	175.6	-81.2	-179.7	177.5	-173.7	0	111.8	L397 I405	L397-K401 VanDerWaalsContact O-CB 3.23Å; L397-K401 WeakPolarHBondContact O-CB 3.46Å; L397-K401 VanDerWaalsContact O-CG 3.23Å; L397-K401 WeakPolarHBondContact O-CG 3.19Å; L397-K401 PolarHBondContact O-N 3.32Å; K401-I405 WeakPolarHBondContact O-CB 3.15Å; K401-I405 VanDerWaalsContact O-CD1 3.31Å; K401-I405 WeakPolarHBondContact O-CD1 3.45Å; K401-I405 WeakPolarHBondContact O-CG1 3.49Å; K401-I405 PolarHBondContact O-N 2.87Å
402	K	42.8	Very low	40.7	Very low	59 Å²	59	76 Å²	76	26%	0.257	40%	0.395	S	S	.	.	H	α-helix	trans	-69.5	-45.7	172.7	-82.4	179.3	168.1	172.7	0	112.7	D352 Q356 C398 N399 I400 L404 I405 F406	D352-K402 IonicContact OD1-NZ 3.83Å; D352-K402 PolarHBondContact OD1-NZ 3.33Å; D352-K402 VanDerWaalsContact OD2-CD 3.31Å; D352-K402 WeakPolarHBondContact OD2-CD 3.23Å; D352-K402 VanDerWaalsContact OD2-CE 3.3Å; D352-K402 WeakPolarHBondContact OD2-CE 3.25Å; D352-K402 IonicContact OD2-NZ 3.4Å; D352-K402 PolarHBondContact OD2-NZ 3.17Å; Q356-K402 VanDerWaalsContact NE2-NZ 3.18Å; C398-K402 PolarHBondContact O-N 3.48Å; N399-K402 PolarHBondContact O-N 3.37Å; I400-K402 PolarHBondContact O-N 2.99Å; K402-L404 VanDerWaalsContact C-N 3.34Å; K402-L404 PolarHBondContact O-N 3.17Å; K402-I405 PolarHBondContact O-N 2.9Å; K402-F406 WeakPolarHBondContact O-CB 3.36Å; K402-F406 WeakPolarHBondContact O-CD2 3.45Å; K402-F406 PolarHBondContact O-N 2.97Å
403	L	34.9	Very low	39.9	Very low	57 Å²	57	80.8 Å²	80.8	30%	0.298	42%	0.417	S	S	.	.	H	α-helix	trans	-57.7	-42.1	177.1	-86.6	161.6	0	0	0	113.2	N399 I400 F406 N407 Y487	N399-L403 PolarHBondContact O-N 2.84Å; I400-L403 PolarHBondContact O-N 2.96Å; L403-F406 PolarHBondContact O-N 3.25Å; L403-N407 WeakPolarHBondContact O-CB 3.44Å; L403-N407 PolarHBondContact O-N 2.88Å; L403-N407 VanDerWaalsContact O-N 3.1Å; L403-Y487 HydrophobicContact CD2-CD2 4.34Å; L403-Y487 HydrophobicContact CD2-CE2 4.18Å
404	L	32.4	Very low	38.6	Very low	47 Å²	47	82.9 Å²	82.9	25%	0.246	44%	0.437	C	S	.	.	H	α-helix	trans	-62.8	-50.4	176.4	-64	165.5	0	0	0	111	I400 K402 F406 N407 N408 I409 L411	I400-L404 HydrophobicContact CG2-CD1 3.5Å; I400-L404 HydrophobicContact CG2-CG 3.86Å; I400-L404 WeakPolarHBondContact O-CB 3.16Å; I400-L404 VanDerWaalsContact O-CG 3.23Å; I400-L404 WeakPolarHBondContact O-CG 3.08Å; I400-L404 PolarHBondContact O-N 3.28Å; K402-L404 VanDerWaalsContact C-N 3.34Å; K402-L404 PolarHBondContact O-N 3.17Å; L404-F406 PolarHBondContact O-N 3.07Å; L404-N407 PolarHBondContact O-N 3.46Å; L404-N407 VanDerWaalsContact O-N 3.12Å; L404-N408 PolarHBondContact O-N 3.46Å; L404-I409 HydrophobicContact CD2-CB 4.36Å; L404-I409 VanDerWaalsContact CD2-O 3.24Å; L404-I409 WeakPolarHBondContact CD2-O 3.4Å; L404-L411 HydrophobicContact CD1-CD1 3.77Å; L404-L411 HydrophobicContact CD2-CD1 4.21Å; L404-L411 HydrophobicContact CD2-CG 4.1Å
405	I	36.5	Very low	37.4	Very low	133 Å²	133	86.7 Å²	86.7	68%	0.682	46%	0.459	S	S	*	.	H	α-helix	trans	-61.1	-29.6	177.2	-69.2	168.1	0	0	0	111.9	K401 K402	K401-I405 WeakPolarHBondContact O-CB 3.15Å; K401-I405 VanDerWaalsContact O-CD1 3.31Å; K401-I405 WeakPolarHBondContact O-CD1 3.45Å; K401-I405 WeakPolarHBondContact O-CG1 3.49Å; K401-I405 PolarHBondContact O-N 2.87Å; K402-I405 PolarHBondContact O-N 2.9Å
406	F	32.6	Very low	36.3	Very low	133 Å²	133	89.9 Å²	89.9	58%	0.583	48%	0.479	S	S	*	.	H	α-helix	trans	-83.1	-17.6	177.1	-93.9	-83.2	0	0	0	114.7	K402 L403 L404 K494	K402-F406 WeakPolarHBondContact O-CB 3.36Å; K402-F406 WeakPolarHBondContact O-CD2 3.45Å; K402-F406 PolarHBondContact O-N 2.97Å; L403-F406 PolarHBondContact O-N 3.25Å; L404-F406 PolarHBondContact O-N 3.07Å; F406-K494 PolarHBondContact O-NZ 3.42Å
407	N	32.5	Very low	35.6	Very low	56 Å²	56	95 Å²	95	30%	0.299	51%	0.507	S	S	.	.	H	α-helix	trans	-128.6	-5	-170	-73.2	-18.7	0	0	0	116.3	L403 L404 I409 K494	L403-N407 WeakPolarHBondContact O-CB 3.44Å; L403-N407 PolarHBondContact O-N 2.88Å; L403-N407 VanDerWaalsContact O-N 3.1Å; L404-N407 PolarHBondContact O-N 3.46Å; L404-N407 VanDerWaalsContact O-N 3.12Å; N407-I409 HydrophobicContact CB-CD1 3.93Å; N407-I409 HydrophobicContact CB-CG1 4.04Å; N407-I409 PolarHBondContact O-N 3.38Å; N407-K494 PolarHBondContact OD1-NZ 3.15Å
408	N	32.9	Very low	34.8	Very low	151 Å²	151	99 Å²	99	81%	0.807	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	47.5	-179.5	-65.6	2.9	0	0	0	113.7	L404	L404-N408 PolarHBondContact O-N 3.46Å
409	I	32.3	Very low	33.9	Very low	105 Å²	105	103.7 Å²	103.7	54%	0.538	55%	0.546	S	S	.	.			trans	-100.7	119.2	178	-61.4	172.6	0	0	0	108.9	L404 N407	L404-I409 HydrophobicContact CD2-CB 4.36Å; L404-I409 VanDerWaalsContact CD2-O 3.24Å; L404-I409 WeakPolarHBondContact CD2-O 3.4Å; N407-I409 HydrophobicContact CB-CD1 3.93Å; N407-I409 HydrophobicContact CB-CG1 4.04Å; N407-I409 PolarHBondContact O-N 3.38Å
410	D	33.8	Very low	33.6	Very low	148 Å²	148	104.7 Å²	104.7	79%	0.791	55%	0.547	S	S	*	.			trans	-72	135.4	171.5	-87.8	-49	0	0	0	111.4	S412	D410-S412 VanDerWaalsContact C-N 3.26Å; D410-S412 PolarHBondContact O-N 2.9Å; D410-S412 VanDerWaalsContact O-N 3.14Å
411	L	35.1	Very low	33.6	Very low	106 Å²	106	110.7 Å²	110.7	56%	0.555	57%	0.572	S	S	*	*			trans	-91	36.5	-167.5	-130.1	-178.3	0	0	0	113.7	I400 L404 I413	I400-L411 HydrophobicContact CG2-CD1 4.35Å; L404-L411 HydrophobicContact CD1-CD1 3.77Å; L404-L411 HydrophobicContact CD2-CD1 4.21Å; L404-L411 HydrophobicContact CD2-CG 4.1Å; L411-I413 PolarHBondContact O-N 2.94Å
412	S	28.2	Very low	33.6	Very low	95 Å²	95	109.4 Å²	109.4	66%	0.664	57%	0.572	S	S	*	*			trans	-93.3	81.3	175.6	60.2	0	0	0	0	111.6	D410	D410-S412 VanDerWaalsContact C-N 3.26Å; D410-S412 PolarHBondContact O-N 2.9Å; D410-S412 VanDerWaalsContact O-N 3.14Å
413	I	32.9	Very low	34	Very low	149 Å²	149	110.4 Å²	110.4	76%	0.764	58%	0.577	S	S	*	*			trans	-164.8	128.1	149.8	-100.5	146.3	0	0	0	109.8	L411 N415	L411-I413 PolarHBondContact O-N 2.94Å; I413-N415 PolarHBondContact O-N 3.24Å
414	S	25.6	Very low	34.9	Very low	106 Å²	106	109.9 Å²	109.9	74%	0.741	57%	0.572	S	S	*	*			trans	-87.9	104.8	-176.2	52.4	0	0	0	0	112.4
415	N	30.7	Very low	36.3	Very low	132 Å²	132	108 Å²	108	71%	0.706	56%	0.562	S	S	*	*			trans	-157.1	51.3	158.6	-106.8	-33.5	0	0	0	111	I413 N417	I413-N415 PolarHBondContact O-N 3.24Å; N415-N417 VanDerWaalsContact C-N 3.29Å; N415-N417 PolarHBondContact O-N 2.8Å
416	T	31	Very low	37.5	Very low	73 Å²	73	102.7 Å²	102.7	45%	0.448	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	10.8	-153.8	58.4	0	0	0	0	116.8	Y420	T416-Y420 VanDerWaalsContact C-CE2 3.47Å; T416-Y420 VanDerWaalsContact O-CD1 3.29Å; T416-Y420 WeakPolarHBondContact O-CD1 3Å; T416-Y420 WeakPolarHBondContact O-CD2 3.48Å
417	N	30.1	Very low	38.9	Very low	132 Å²	132	98.2 Å²	98.2	71%	0.706	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.1	-15.6	-166.9	-71.9	-18.1	0	0	0	116	N415	N415-N417 VanDerWaalsContact C-N 3.29Å; N415-N417 PolarHBondContact O-N 2.8Å
418	Q	30	Very low	40.4	Very low	171 Å²	171	96.1 Å²	96.1	80%	0.799	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	-46.5	-176.6	-75	-176.2	-18.4	0	0	113.8	Y420	Q418-Y420 PolarHBondContact O-N 3.1Å
419	L	28.6	Very low	42.1	Very low	120 Å²	120	88.9 Å²	88.9	63%	0.628	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-16.1	173.8	-78.5	156.8	0	0	0	114.2
420	Y	38.7	Very low	43.6	Very low	63 Å²	63	84.4 Å²	84.4	25%	0.247	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-16.9	-157	-72.6	-115.5	0	0	0	113.4	L396 I400 T416 Q418	L396-Y420 HydrophobicContact CD1-CD1 3.61Å; L396-Y420 HydrophobicContact CD1-CE1 4.49Å; L396-Y420 HydrophobicContact CD1-CG 4.05Å; L396-Y420 VanDerWaalsContact CD1-O 3.28Å; L396-Y420 WeakPolarHBondContact CD1-O 3.03Å; L396-Y420 HydrophobicContact CD2-CD1 3.56Å; L396-Y420 HydrophobicContact CD2-CE1 3.92Å; L396-Y420 HydrophobicContact CG-CD1 4.24Å; I400-Y420 HydrophobicContact CD1-CE1 4.3Å; T416-Y420 VanDerWaalsContact C-CE2 3.47Å; T416-Y420 VanDerWaalsContact O-CD1 3.29Å; T416-Y420 WeakPolarHBondContact O-CD1 3Å; T416-Y420 WeakPolarHBondContact O-CD2 3.48Å; Q418-Y420 PolarHBondContact O-N 3.1Å
421	K	40.1	Very low	44.9	Very low	156 Å²	156	79.7 Å²	79.7	68%	0.678	42%	0.418	S	S	*	.	S	Bend	trans	-88.1	-25.7	175.2	-70.7	178.5	179.4	172.9	0	113.3
422	N	44.1	Very low	46.4	Very low	105 Å²	105	75.1 Å²	75.1	56%	0.561	39%	0.394	S	S	*	.	S	Bend	trans	-81.4	-18.9	-167.9	-66.8	7.7	0	0	0	113.5	P426	N422-P426 WeakPolarHBondContact O-CD 3.42Å; N422-P426 VanDerWaalsContact O-CG 3.29Å; N422-P426 WeakPolarHBondContact O-CG 3.45Å
423	Q	51	Low	48.3	Very low	80 Å²	80	70.6 Å²	70.6	37%	0.374	36%	0.362	S	S	.	.	S	Bend	trans	-80.7	-23.3	-171	-67.8	-174.9	-14	0	0	115.6	Y425 P426 L427	Q423-Y425 PolarHBondContact O-N 3.26Å; Q423-P426 WeakPolarHBondContact O-CD 3.17Å; Q423-L427 VanDerWaalsContact O-CG 3.31Å; Q423-L427 WeakPolarHBondContact O-CG 3.49Å; Q423-L427 PolarHBondContact O-N 2.77Å; Q423-L427 VanDerWaalsContact O-N 3.13Å
424	F	54.1	Low	49.8	Very low	46 Å²	46	65.8 Å²	65.8	20%	0.202	34%	0.338	C	S	.	.	H	α-helix	trans	-64.3	-40.7	-174.5	-178	-88.6	0	0	0	113.1	L351 L395 L427 L428 F464	L351-F424 HydrophobicContact CD2-CE2 4.26Å; L395-F424 HydrophobicContact CD1-CD2 4.1Å; L395-F424 HydrophobicContact CD1-CE2 3.7Å; L395-F424 HydrophobicContact CD2-CE2 4.11Å; L395-F424 HydrophobicContact CG-CE2 4.46Å; F424-L427 PolarHBondContact O-N 3.47Å; F424-L428 PolarHBondContact O-N 2.85Å; F424-F464 AromaticContact CD1-CD2 3.79Å; F424-F464 HydrophobicContact CD1-CD2 3.79Å; F424-F464 AromaticContact CD1-CE2 3.58Å; F424-F464 HydrophobicContact CD1-CE2 3.58Å; F424-F464 HydrophobicContact CD1-CZ 4.23Å; F424-F464 HydrophobicContact CE1-CB 4.4Å; F424-F464 AromaticContact CE1-CD2 3.43Å; F424-F464 HydrophobicContact CE1-CD2 3.43Å; F424-F464 VanDerWaalsContact CE1-CD2 3.43Å; F424-F464 AromaticContact CE1-CE2 3.72Å; F424-F464 HydrophobicContact CE1-CE2 3.72Å; F424-F464 AromaticContact CE1-CG 3.91Å; F424-F464 HydrophobicContact CE1-CG 3.91Å; F424-F464 HydrophobicContact CE1-CZ 4.41Å
425	Y	62.3	Low	51.6	Low	8 Å²	8	62.6 Å²	62.6	3%	0.031	31%	0.309	C	S	.	.	H	α-helix	trans	-69.9	-46.3	179.7	178.5	-124.9	0	0	0	113.6	Q423 L427 L428 I429 F464 L475 P476 I482 H514 F517	Q423-Y425 PolarHBondContact O-N 3.26Å; Y425-L427 VanDerWaalsContact C-N 3.27Å; Y425-L427 PolarHBondContact O-N 2.97Å; Y425-L428 PolarHBondContact O-N 3.41Å; Y425-L428 VanDerWaalsContact O-N 3.15Å; Y425-I429 HydrophobicContact CD1-CD1 4Å; Y425-I429 HydrophobicContact CD2-CD1 4.07Å; Y425-I429 HydrophobicContact CD2-CG1 4.18Å; Y425-I429 HydrophobicContact CE1-CD1 3.62Å; Y425-I429 HydrophobicContact CE2-CD1 3.69Å; Y425-I429 HydrophobicContact CE2-CG1 3.86Å; Y425-I429 HydrophobicContact CG-CD1 4.23Å; Y425-I429 VanDerWaalsContact CZ-CD1 3.46Å; Y425-I429 WeakPolarHBondContact O-CG1 3.47Å; Y425-I429 PolarHBondContact O-N 3.04Å; Y425-F464 AromaticContact CD2-CE1 3.69Å; Y425-F464 HydrophobicContact CD2-CE1 3.69Å; Y425-F464 AromaticContact CD2-CZ 3.73Å; Y425-F464 HydrophobicContact CD2-CZ 3.73Å; Y425-F464 HydrophobicContact CE2-CE1 4.26Å; Y425-F464 HydrophobicContact CG-CZ 4.22Å; Y425-L475 HydrophobicContact CD1-CD2 3.85Å; Y425-L475 HydrophobicContact CD2-CD2 3.58Å; Y425-L475 HydrophobicContact CE1-CB 4.44Å; Y425-L475 HydrophobicContact CE1-CD1 4.25Å; Y425-L475 HydrophobicContact CE1-CD2 3.85Å; Y425-L475 HydrophobicContact CE1-CG 4.41Å; Y425-L475 HydrophobicContact CE2-CD1 4.04Å; Y425-L475 HydrophobicContact CE2-CD2 3.59Å; Y425-L475 HydrophobicContact CE2-CG 4.47Å; Y425-L475 HydrophobicContact CG-CD2 3.69Å; Y425-P476 HydrophobicContact CD1-CG 3.78Å; Y425-P476 HydrophobicContact CE1-CG 4.14Å; Y425-I482 HydrophobicContact CD1-CD1 4.18Å; Y425-I482 HydrophobicContact CD1-CG2 4.22Å; Y425-I482 HydrophobicContact CE1-CD1 3.83Å; Y425-H514 AromaticContact CE1-ND1 3.57Å; Y425-H514 AromaticContact CZ-ND1 3.7Å; Y425-H514 PolarHBondContact OH-ND1 2.93Å; Y425-F517 HydrophobicContact CE2-CB 4.24Å; Y425-F517 HydrophobicContact CE2-CD1 4.01Å; Y425-F517 HydrophobicContact CE2-CG 4.16Å; Y425-F517 WeakPolarHBondContact OH-CB 3.34Å
426	P	60.2	Low	53.2	Low	22 Å²	22	56.6 Å²	56.6	14%	0.143	28%	0.278	C	S	.	.	H	α-helix	trans	-48.6	-46.2	165.9	-24.2	24.8	0	0	0	113.3	N422 Q423 I429 N430 I482	N422-P426 WeakPolarHBondContact O-CD 3.42Å; N422-P426 VanDerWaalsContact O-CG 3.29Å; N422-P426 WeakPolarHBondContact O-CG 3.45Å; Q423-P426 WeakPolarHBondContact O-CD 3.17Å; P426-I429 PolarHBondContact O-N 2.68Å; P426-N430 WeakPolarHBondContact O-CB 3.34Å; P426-N430 PolarHBondContact O-N 2.97Å; P426-I482 HydrophobicContact CB-CB 4.43Å; P426-I482 HydrophobicContact CG-CB 3.78Å; P426-I482 HydrophobicContact CG-CG2 3.77Å
427	L	62	Low	54.8	Low	38 Å²	38	53.2 Å²	53.2	20%	0.199	26%	0.257	C	S	.	.	H	α-helix	trans	-63.3	-43.4	178.5	-72.2	168.8	0	0	0	111.6	N399 Q423 F424 Y425 I429 N430 K431	N399-L427 HydrophobicContact CB-CD1 4.35Å; Q423-L427 VanDerWaalsContact O-CG 3.31Å; Q423-L427 WeakPolarHBondContact O-CG 3.49Å; Q423-L427 PolarHBondContact O-N 2.77Å; Q423-L427 VanDerWaalsContact O-N 3.13Å; F424-L427 PolarHBondContact O-N 3.47Å; Y425-L427 VanDerWaalsContact C-N 3.27Å; Y425-L427 PolarHBondContact O-N 2.97Å; L427-I429 PolarHBondContact O-N 3.07Å; L427-N430 PolarHBondContact O-N 2.96Å; L427-K431 WeakPolarHBondContact O-CB 3.16Å; L427-K431 WeakPolarHBondContact O-CG 3.36Å; L427-K431 PolarHBondContact O-N 3.17Å
428	L	65.4	Low	56.4	Low	12 Å²	12	49.5 Å²	49.5	6%	0.063	24%	0.237	C	C	.	.	H	α-helix	trans	-61.8	-43.5	176.3	-176.3	65	0	0	0	112.2	F424 Y425 L432 I461 F464 F517	F424-L428 PolarHBondContact O-N 2.85Å; Y425-L428 PolarHBondContact O-N 3.41Å; Y425-L428 VanDerWaalsContact O-N 3.15Å; L428-L432 WeakPolarHBondContact O-CG 3.48Å; L428-L432 PolarHBondContact O-N 2.92Å; L428-I461 HydrophobicContact CD1-CG1 4.2Å; L428-F464 HydrophobicContact CD2-CB 4.5Å; L428-F464 HydrophobicContact CD2-CD1 3.29Å; L428-F464 HydrophobicContact CD2-CE1 3.57Å; L428-F464 HydrophobicContact CD2-CG 4.03Å; L428-F464 HydrophobicContact CD2-CZ 4.5Å; L428-F517 HydrophobicContact CD2-CE1 4.18Å; L428-F517 HydrophobicContact CD2-CZ 4.18Å
429	I	67.6	Low	57.9	Low	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-66.6	-49.2	177.4	-60.5	161.1	0	0	0	110.8	Y425 P426 L427 K431 L432 V433 I482 F510 H514	Y425-I429 HydrophobicContact CD1-CD1 4Å; Y425-I429 HydrophobicContact CD2-CD1 4.07Å; Y425-I429 HydrophobicContact CD2-CG1 4.18Å; Y425-I429 HydrophobicContact CE1-CD1 3.62Å; Y425-I429 HydrophobicContact CE2-CD1 3.69Å; Y425-I429 HydrophobicContact CE2-CG1 3.86Å; Y425-I429 HydrophobicContact CG-CD1 4.23Å; Y425-I429 VanDerWaalsContact CZ-CD1 3.46Å; Y425-I429 WeakPolarHBondContact O-CG1 3.47Å; Y425-I429 PolarHBondContact O-N 3.04Å; P426-I429 PolarHBondContact O-N 2.68Å; L427-I429 PolarHBondContact O-N 3.07Å; I429-K431 PolarHBondContact O-N 3.48Å; I429-L432 WeakPolarHBondContact O-CA 3.49Å; I429-L432 WeakPolarHBondContact O-CB 3.4Å; I429-L432 PolarHBondContact O-N 2.89Å; I429-V433 HydrophobicContact CG2-CG2 4.24Å; I429-V433 WeakPolarHBondContact O-CG2 3.19Å; I429-V433 PolarHBondContact O-N 3.39Å; I429-I482 HydrophobicContact CD1-CD1 3.8Å; I429-F510 HydrophobicContact CB-CD1 4.42Å; I429-F510 HydrophobicContact CB-CD2 4.16Å; I429-F510 HydrophobicContact CB-CE1 4.16Å; I429-F510 HydrophobicContact CB-CE2 3.87Å; I429-F510 HydrophobicContact CB-CG 4.45Å; I429-F510 HydrophobicContact CB-CZ 3.88Å; I429-F510 HydrophobicContact CD1-CD1 4.43Å; I429-F510 HydrophobicContact CD1-CE1 3.84Å; I429-F510 HydrophobicContact CD1-CZ 4.11Å; I429-F510 HydrophobicContact CG2-CB 4.15Å; I429-F510 HydrophobicContact CG2-CD1 3.62Å; I429-F510 HydrophobicContact CG2-CD2 3.5Å; I429-F510 HydrophobicContact CG2-CE1 3.86Å; I429-F510 HydrophobicContact CG2-CE2 3.74Å; I429-F510 HydrophobicContact CG2-CG 3.46Å; I429-F510 VanDerWaalsContact CG2-CG 3.46Å; I429-F510 HydrophobicContact CG2-CZ 3.93Å; I429-H514 HydrophobicContact CD1-CB 4.04Å
430	N	64.4	Low	59.3	Low	10 Å²	10	39.3 Å²	39.3	5%	0.053	19%	0.188	C	C	.	.	H	α-helix	trans	-51.7	-44.3	177.2	-177.1	-16	0	0	0	111.3	P426 L427 V433 I434 Y487 Y506 F510	P426-N430 WeakPolarHBondContact O-CB 3.34Å; P426-N430 PolarHBondContact O-N 2.97Å; L427-N430 PolarHBondContact O-N 2.96Å; N430-V433 WeakPolarHBondContact O-CB 3.47Å; N430-V433 PolarHBondContact O-N 3.25Å; N430-I434 WeakPolarHBondContact O-CG1 3.42Å; N430-I434 PolarHBondContact O-N 2.88Å; N430-I434 WeakPolarHBondContact OD1-CD1 3.15Å; N430-Y487 VanDerWaalsContact ND2-CE1 3.29Å; N430-Y487 WeakPolarHBondContact ND2-CE1 3.38Å; N430-Y506 WeakPolarHBondContact CB-OH 3.43Å; N430-Y506 PolarHBondContact OD1-OH 3.5Å; N430-F510 HydrophobicContact CB-CE2 4.15Å
431	K	61	Low	60.1	Low	49 Å²	49	39.5 Å²	39.5	21%	0.213	19%	0.193	C	C	.	.	H	α-helix	trans	-71.6	-32.4	178.6	-64.4	-67.7	-169.8	167	0	113.5	L355 L427 I429 I434 W435	L355-K431 HydrophobicContact CB-CD 4.1Å; L355-K431 HydrophobicContact CD1-CB 4.05Å; L355-K431 HydrophobicContact CD1-CD 3.76Å; L355-K431 HydrophobicContact CD1-CG 3.67Å; L355-K431 HydrophobicContact CD2-CB 3.86Å; L355-K431 HydrophobicContact CD2-CD 4.04Å; L355-K431 HydrophobicContact CD2-CG 4.21Å; L355-K431 HydrophobicContact CG-CD 4.18Å; L355-K431 HydrophobicContact CG-CG 4.45Å; L427-K431 WeakPolarHBondContact O-CB 3.16Å; L427-K431 WeakPolarHBondContact O-CG 3.36Å; L427-K431 PolarHBondContact O-N 3.17Å; I429-K431 PolarHBondContact O-N 3.48Å; K431-I434 HydrophobicContact CD-CD1 4.45Å; K431-W435 WeakPolarHBondContact O-CB 3.39Å; K431-W435 PolarHBondContact O-N 2.88Å
432	L	67.2	Low	60.5	Low	10 Å²	10	36.9 Å²	36.9	5%	0.052	18%	0.183	C	C	.	.	H	α-helix	trans	-62.4	-44	167.5	-81.2	165.3	0	0	0	111.8	L428 I429 W435 N436 F453 I461 Y513 F517	L428-L432 WeakPolarHBondContact O-CG 3.48Å; L428-L432 PolarHBondContact O-N 2.92Å; I429-L432 WeakPolarHBondContact O-CA 3.49Å; I429-L432 WeakPolarHBondContact O-CB 3.4Å; I429-L432 PolarHBondContact O-N 2.89Å; L432-W435 PolarHBondContact O-N 2.88Å; L432-N436 WeakPolarHBondContact O-CB 3.28Å; L432-N436 PolarHBondContact O-N 3.44Å; L432-F453 HydrophobicContact CD2-CE2 3.59Å; L432-F453 HydrophobicContact CD2-CZ 3.51Å; L432-I461 HydrophobicContact CD1-CD1 4.41Å; L432-I461 HydrophobicContact CD2-CD1 4.06Å; L432-Y513 HydrophobicContact CB-CD1 4.42Å; L432-Y513 HydrophobicContact CB-CD2 3.73Å; L432-Y513 HydrophobicContact CB-CE2 3.81Å; L432-Y513 HydrophobicContact CB-CG 4.07Å; L432-Y513 HydrophobicContact CD1-CD1 4.22Å; L432-Y513 HydrophobicContact CD1-CG 4.23Å; L432-Y513 HydrophobicContact CD2-CE1 4.39Å; L432-F517 HydrophobicContact CD1-CE2 3.74Å; L432-F517 HydrophobicContact CD1-CZ 4.16Å
433	V	66.7	Low	60.6	Low	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61.3	-49.6	177.2	173.7	0	0	0	0	111.2	I429 N430 W435 N436 I437 Y506 F510 Y513	I429-V433 HydrophobicContact CG2-CG2 4.24Å; I429-V433 WeakPolarHBondContact O-CG2 3.19Å; I429-V433 PolarHBondContact O-N 3.39Å; N430-V433 WeakPolarHBondContact O-CB 3.47Å; N430-V433 PolarHBondContact O-N 3.25Å; V433-W435 PolarHBondContact O-N 3.17Å; V433-N436 PolarHBondContact O-N 2.96Å; V433-I437 HydrophobicContact CG1-CD1 3.51Å; V433-I437 HydrophobicContact CG1-CG1 4.39Å; V433-I437 WeakPolarHBondContact O-CD1 3.3Å; V433-I437 VanDerWaalsContact O-CG1 3.31Å; V433-I437 WeakPolarHBondContact O-CG1 2.94Å; V433-I437 PolarHBondContact O-N 3.15Å; V433-Y506 HydrophobicContact CB-CD2 4.35Å; V433-Y506 HydrophobicContact CB-CE2 4.13Å; V433-Y506 HydrophobicContact CG1-CD2 3.36Å; V433-Y506 HydrophobicContact CG1-CE2 3.62Å; V433-Y506 HydrophobicContact CG1-CG 3.97Å; V433-F510 VanDerWaalsContact CG2-CA 3.48Å; V433-F510 HydrophobicContact CG2-CB 3.9Å; V433-F510 HydrophobicContact CG2-CD2 4.23Å; V433-F510 HydrophobicContact CG2-CG 4.44Å; V433-F510 VanDerWaalsContact CG2-N 3.31Å; V433-Y513 HydrophobicContact CG2-CD2 3.93Å; V433-Y513 HydrophobicContact CG2-CE2 4.39Å
434	I	63.9	Low	60.3	Low	49 Å²	49	40.8 Å²	40.8	25%	0.251	20%	0.203	S	C	.	.	H	α-helix	trans	-60.1	-44.6	177.2	-70.3	168.4	0	0	0	111.5	N430 K431 N436 N438	N430-I434 WeakPolarHBondContact O-CG1 3.42Å; N430-I434 PolarHBondContact O-N 2.88Å; N430-I434 WeakPolarHBondContact OD1-CD1 3.15Å; K431-I434 HydrophobicContact CD-CD1 4.45Å; I434-N436 VanDerWaalsContact C-N 3.33Å; I434-N436 PolarHBondContact O-N 3.19Å; I434-N438 WeakPolarHBondContact CG2-ND2 3.33Å; I434-N438 WeakPolarHBondContact O-CB 3.32Å; I434-N438 PolarHBondContact O-N 2.89Å; I434-N438 PolarHBondContact O-ND2 3.32Å; I434-N438 VanDerWaalsContact O-ND2 3.1Å
435	W	63.9	Low	59.7	Low	38 Å²	38	44.1 Å²	44.1	14%	0.144	22%	0.223	C	C	.	.	H	α-helix	trans	-58	-45.4	176.8	175.3	82.7	0	0	0	111.8	K431 L432 V433 N438 I439 F453 T598	K431-W435 WeakPolarHBondContact O-CB 3.39Å; K431-W435 PolarHBondContact O-N 2.88Å; L432-W435 PolarHBondContact O-N 2.88Å; V433-W435 PolarHBondContact O-N 3.17Å; W435-N438 PolarHBondContact O-N 3.4Å; W435-I439 HydrophobicContact CD2-CD1 3.87Å; W435-I439 HydrophobicContact CE3-CD1 4.25Å; W435-I439 HydrophobicContact CH2-CD1 3.63Å; W435-I439 HydrophobicContact CZ2-CD1 3.18Å; W435-I439 HydrophobicContact CZ3-CD1 4.13Å; W435-I439 PolarHBondContact O-N 3.1Å; W435-I439 VanDerWaalsContact O-N 3.1Å; W435-F453 AromaticContact CD2-CD2 3.83Å; W435-F453 HydrophobicContact CD2-CD2 3.83Å; W435-F453 AromaticContact CD2-CE2 3.84Å; W435-F453 HydrophobicContact CD2-CE2 3.84Å; W435-F453 AromaticContact CE2-CD2 3.59Å; W435-F453 HydrophobicContact CE3-CD2 4.04Å; W435-F453 AromaticContact CE3-CE2 4Å; W435-F453 HydrophobicContact CE3-CE2 4Å; W435-F453 HydrophobicContact CG-CE2 4.26Å; W435-F453 AromaticContact CH2-CD2 3.87Å; W435-F453 HydrophobicContact CH2-CD2 3.87Å; W435-F453 HydrophobicContact CZ2-CB 4.37Å; W435-F453 AromaticContact CZ2-CD2 3.62Å; W435-F453 HydrophobicContact CZ2-CD2 3.62Å; W435-F453 HydrophobicContact CZ2-CE2 4.46Å; W435-F453 HydrophobicContact CZ2-CG 4.49Å; W435-F453 HydrophobicContact CZ3-CD2 4.07Å; W435-F453 HydrophobicContact CZ3-CE2 4.4Å; W435-T598 HydrophobicContact CH2-CG2 3.7Å; W435-T598 HydrophobicContact CZ3-CG2 3.88Å
436	N	64.8	Low	58.3	Low	7 Å²	7	51.7 Å²	51.7	4%	0.037	26%	0.264	C	S	.	.	H	α-helix	trans	-68.1	-44.3	-178.8	-169.5	66.8	0	0	0	113	L432 V433 I434 N438 I439 N440 Y509 Y513 I600	L432-N436 WeakPolarHBondContact O-CB 3.28Å; L432-N436 PolarHBondContact O-N 3.44Å; V433-N436 PolarHBondContact O-N 2.96Å; I434-N436 VanDerWaalsContact C-N 3.33Å; I434-N436 PolarHBondContact O-N 3.19Å; N436-N438 VanDerWaalsContact C-N 3.34Å; N436-N438 PolarHBondContact O-N 3.17Å; N436-I439 PolarHBondContact O-N 2.87Å; N436-N440 PolarHBondContact O-N 3.25Å; N436-N440 VanDerWaalsContact O-N 3.07Å; N436-N440 PolarHBondContact O-ND2 3.25Å; N436-Y509 WeakPolarHBondContact ND2-CD1 3.39Å; N436-Y509 WeakPolarHBondContact ND2-CE1 3.15Å; N436-Y509 VanDerWaalsContact ND2-CE2 3.33Å; N436-Y509 WeakPolarHBondContact ND2-CE2 3.36Å; N436-Y513 HydrophobicContact CB-CE2 4.25Å; N436-Y513 WeakPolarHBondContact CB-OH 3.07Å; N436-Y513 PolarHBondContact OD1-OH 3.14Å; N436-I600 WeakPolarHBondContact ND2-CD1 3.44Å; N436-I600 WeakPolarHBondContact OD1-CD1 3.25Å
437	I	65.3	Low	57.2	Low	2 Å²	2	59.6 Å²	59.6	1%	0.01	30%	0.296	C	S	.	.	H	α-helix	trans	-60.7	-44.1	175.1	-67.4	160.8	0	0	0	110.6	V433 I439 N440 N441 I501 Y506 Y509	V433-I437 HydrophobicContact CG1-CD1 3.51Å; V433-I437 HydrophobicContact CG1-CG1 4.39Å; V433-I437 WeakPolarHBondContact O-CD1 3.3Å; V433-I437 VanDerWaalsContact O-CG1 3.31Å; V433-I437 WeakPolarHBondContact O-CG1 2.94Å; V433-I437 PolarHBondContact O-N 3.15Å; I437-I439 VanDerWaalsContact C-N 3.35Å; I437-I439 PolarHBondContact O-N 3.25Å; I437-N440 PolarHBondContact O-N 3.29Å; I437-N441 WeakPolarHBondContact CG2-ND2 3.09Å; I437-N441 WeakPolarHBondContact O-CB 3.34Å; I437-N441 VanDerWaalsContact O-CG 3.25Å; I437-N441 PolarHBondContact O-N 3.07Å; I437-N441 PolarHBondContact O-ND2 3.07Å; I437-I501 HydrophobicContact CD1-CD1 4.46Å; I437-I501 HydrophobicContact CD1-CG2 3.73Å; I437-I501 HydrophobicContact CG2-CG1 4.42Å; I437-Y506 HydrophobicContact CD1-CD2 4.49Å; I437-Y509 HydrophobicContact CD1-CD2 4.25Å; I437-Y509 HydrophobicContact CG1-CD2 3.68Å; I437-Y509 HydrophobicContact CG1-CE2 3.76Å
438	N	62.6	Low	55.9	Low	54 Å²	54	66.6 Å²	66.6	29%	0.289	33%	0.327	S	S	.	.	H	α-helix	trans	-62.3	-40.4	178.8	-71.9	-27.7	0	0	0	112.2	I434 W435 N436 H442	I434-N438 WeakPolarHBondContact CG2-ND2 3.33Å; I434-N438 WeakPolarHBondContact O-CB 3.32Å; I434-N438 PolarHBondContact O-N 2.89Å; I434-N438 PolarHBondContact O-ND2 3.32Å; I434-N438 VanDerWaalsContact O-ND2 3.1Å; W435-N438 PolarHBondContact O-N 3.4Å; N436-N438 VanDerWaalsContact C-N 3.34Å; N436-N438 PolarHBondContact O-N 3.17Å; N438-H442 WeakPolarHBondContact O-CB 3.45Å; N438-H442 PolarHBondContact O-CD2 3.45Å; N438-H442 VanDerWaalsContact O-CD2 3.23Å; N438-H442 PolarHBondContact O-N 3.06Å
439	I	62	Low	54.6	Low	22 Å²	22	71.4 Å²	71.4	11%	0.113	36%	0.362	C	S	.	.	H	α-helix	trans	-63.1	-46.9	175.7	-77.7	176.3	0	0	0	111.2	W435 N436 I437 N441 H442 H443 I450	W435-I439 HydrophobicContact CD2-CD1 3.87Å; W435-I439 HydrophobicContact CE3-CD1 4.25Å; W435-I439 HydrophobicContact CH2-CD1 3.63Å; W435-I439 HydrophobicContact CZ2-CD1 3.18Å; W435-I439 HydrophobicContact CZ3-CD1 4.13Å; W435-I439 PolarHBondContact O-N 3.1Å; W435-I439 VanDerWaalsContact O-N 3.1Å; N436-I439 PolarHBondContact O-N 2.87Å; I437-I439 VanDerWaalsContact C-N 3.35Å; I437-I439 PolarHBondContact O-N 3.25Å; I439-N441 VanDerWaalsContact C-N 3.34Å; I439-N441 PolarHBondContact O-N 3.48Å; I439-H442 PolarHBondContact O-N 3.29Å; I439-H443 PolarHBondContact O-CD2 3.42Å; I439-H443 PolarHBondContact O-N 2.84Å; I439-I450 HydrophobicContact CD1-CB 4.47Å; I439-I450 HydrophobicContact CD1-CG2 3.79Å; I439-I450 HydrophobicContact CG1-CB 4.4Å; I439-I450 HydrophobicContact CG1-CG2 4.05Å
440	N	57	Low	53.6	Low	55 Å²	55	76 Å²	76	29%	0.294	39%	0.386	S	S	.	.	H	α-helix	trans	-64.9	-39.1	-179.5	-65.8	-15.4	0	0	0	111.6	N436 I437 H442 H443 Y509	N436-N440 PolarHBondContact O-N 3.25Å; N436-N440 VanDerWaalsContact O-N 3.07Å; N436-N440 PolarHBondContact O-ND2 3.25Å; I437-N440 PolarHBondContact O-N 3.29Å; N440-H442 PolarHBondContact O-N 3.11Å; N440-H443 PolarHBondContact O-N 3.35Å; N440-Y509 PolarHBondContact ND2-OH 3.14Å; N440-Y509 VanDerWaalsContact ND2-OH 3.09Å
441	N	56.1	Low	52.7	Low	66 Å²	66	83.6 Å²	83.6	35%	0.353	42%	0.418	S	S	.	.	H	α-helix	trans	-67.5	-32.5	174.5	-70.1	-13.4	0	0	0	113.1	I437 I439	I437-N441 WeakPolarHBondContact CG2-ND2 3.09Å; I437-N441 WeakPolarHBondContact O-CB 3.34Å; I437-N441 VanDerWaalsContact O-CG 3.25Å; I437-N441 PolarHBondContact O-N 3.07Å; I437-N441 PolarHBondContact O-ND2 3.07Å; I439-N441 VanDerWaalsContact C-N 3.34Å; I439-N441 PolarHBondContact O-N 3.48Å
442	H	48.9	Very low	52.2	Low	101 Å²	101	89.5 Å²	89.5	47%	0.468	44%	0.44	S	S	.	.	H	α-helix	trans	-78.5	-25.2	175.5	-86.6	-66.4	0	0	0	113.7	N438 I439 N440 N444 N445	N438-H442 WeakPolarHBondContact O-CB 3.45Å; N438-H442 PolarHBondContact O-CD2 3.45Å; N438-H442 VanDerWaalsContact O-CD2 3.23Å; N438-H442 PolarHBondContact O-N 3.06Å; I439-H442 PolarHBondContact O-N 3.29Å; N440-H442 PolarHBondContact O-N 3.11Å; H442-N444 PolarHBondContact O-N 2.92Å; H442-N445 PolarHBondContact O-N 2.75Å
443	H	46.3	Very low	51.6	Low	131 Å²	131	89.9 Å²	89.9	61%	0.606	44%	0.441	S	S	*	.	H	α-helix	trans	-61	-28.1	176.1	-99.1	-68.9	0	0	0	113.5	I439 N440 N445	I439-H443 PolarHBondContact O-CD2 3.42Å; I439-H443 PolarHBondContact O-N 2.84Å; N440-H443 PolarHBondContact O-N 3.35Å; H443-N445 PolarHBondContact O-N 2.74Å
444	N	45.1	Very low	51.2	Low	137 Å²	137	91.7 Å²	91.7	73%	0.733	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-5.7	174.1	-68.4	-9.1	0	0	0	114	H442	H442-N444 PolarHBondContact O-N 2.92Å
445	N	41.2	Very low	50.9	Low	116 Å²	116	94.3 Å²	94.3	62%	0.62	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125	49.4	-171.1	-83.4	-59.3	0	0	0	113.6	H442 H443 K447	H442-N445 PolarHBondContact O-N 2.75Å; H443-N445 PolarHBondContact O-N 2.74Å; N445-K447 VanDerWaalsContact C-N 3.26Å; N445-K447 PolarHBondContact O-N 3.42Å
446	N	33.1	Very low	50.6	Low	167 Å²	167	92.9 Å²	92.9	89%	0.893	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	41.7	37.6	158.3	-81.8	-10.2	0	0	0	117.7
447	K	37.1	Very low	50.4	Low	188 Å²	188	92.8 Å²	92.8	82%	0.817	46%	0.461	S	S	*	.			trans	-130.6	120.9	169	-71.7	-170.4	177.8	-179	0	110.9	N445	N445-K447 VanDerWaalsContact C-N 3.26Å; N445-K447 PolarHBondContact O-N 3.42Å
448	Q	34.3	Very low	50.2	Low	185 Å²	185	95.3 Å²	95.3	86%	0.864	47%	0.473	S	S	*	.			trans	-68	170.8	179.3	-62.9	170.2	-18	0	0	112
449	S	37.4	Very low	50	Low	112 Å²	112	92.8 Å²	92.8	78%	0.783	46%	0.459	S	S	*	.			trans	101.3	-4.5	151	80.1	0	0	0	0	122.1	K451	S449-K451 VanDerWaalsContact C-N 3.29Å; S449-K451 PolarHBondContact O-N 2.92Å; S449-K451 VanDerWaalsContact O-N 3.12Å
450	I	46.6	Very low	50.2	Low	98 Å²	98	91.9 Å²	91.9	50%	0.503	46%	0.455	S	S	.	.			trans	-89.4	58.5	169.2	-42.4	-176.1	0	0	0	111.7	I439	I439-I450 HydrophobicContact CD1-CB 4.47Å; I439-I450 HydrophobicContact CD1-CG2 3.79Å; I439-I450 HydrophobicContact CG1-CB 4.4Å; I439-I450 HydrophobicContact CG1-CG2 4.05Å
451	K	46.2	Very low	50.4	Low	169 Å²	169	89.4 Å²	89.4	74%	0.735	44%	0.441	S	S	*	.			trans	-83	-9.2	175.3	-84.2	-167.9	175.4	-177.4	0	114.5	S449	S449-K451 VanDerWaalsContact C-N 3.29Å; S449-K451 PolarHBondContact O-N 2.92Å; S449-K451 VanDerWaalsContact O-N 3.12Å
452	Y	49.6	Very low	50.6	Low	173 Å²	173	86.5 Å²	86.5	68%	0.678	43%	0.426	S	S	*	.	S	Bend	trans	-130.8	140.9	-170.9	-60.1	-64	0	0	0	112.4
453	F	55.7	Low	51.3	Low	17 Å²	17	81.7 Å²	81.7	8%	0.075	40%	0.404	C	S	.	.			trans	-62.3	134.6	171.4	-153.7	-117.9	0	0	0	109.7	L432 W435 I455 L457 Q458 I461	L432-F453 HydrophobicContact CD2-CE2 3.59Å; L432-F453 HydrophobicContact CD2-CZ 3.51Å; W435-F453 AromaticContact CD2-CD2 3.83Å; W435-F453 HydrophobicContact CD2-CD2 3.83Å; W435-F453 AromaticContact CD2-CE2 3.84Å; W435-F453 HydrophobicContact CD2-CE2 3.84Å; W435-F453 AromaticContact CE2-CD2 3.59Å; W435-F453 HydrophobicContact CE3-CD2 4.04Å; W435-F453 AromaticContact CE3-CE2 4Å; W435-F453 HydrophobicContact CE3-CE2 4Å; W435-F453 HydrophobicContact CG-CE2 4.26Å; W435-F453 AromaticContact CH2-CD2 3.87Å; W435-F453 HydrophobicContact CH2-CD2 3.87Å; W435-F453 HydrophobicContact CZ2-CB 4.37Å; W435-F453 AromaticContact CZ2-CD2 3.62Å; W435-F453 HydrophobicContact CZ2-CD2 3.62Å; W435-F453 HydrophobicContact CZ2-CE2 4.46Å; W435-F453 HydrophobicContact CZ2-CG 4.49Å; W435-F453 HydrophobicContact CZ3-CD2 4.07Å; W435-F453 HydrophobicContact CZ3-CE2 4.4Å; F453-I455 PolarHBondContact O-N 3.34Å; F453-L457 HydrophobicContact CD1-CB 3.97Å; F453-L457 HydrophobicContact CD1-CD2 4.49Å; F453-L457 HydrophobicContact CD1-CG 4.26Å; F453-L457 HydrophobicContact CD2-CD2 4.5Å; F453-L457 VanDerWaalsContact CE1-C 3.49Å; F453-L457 HydrophobicContact CE1-CB 3.59Å; F453-L457 HydrophobicContact CE1-CD2 3.75Å; F453-L457 HydrophobicContact CE1-CG 3.41Å; F453-L457 VanDerWaalsContact CE1-CG 3.41Å; F453-L457 WeakPolarHBondContact CE1-O 3.33Å; F453-L457 HydrophobicContact CE2-CD2 3.73Å; F453-L457 HydrophobicContact CE2-CG 4.34Å; F453-L457 HydrophobicContact CZ-CB 4.09Å; F453-L457 HydrophobicContact CZ-CD2 3.3Å; F453-L457 HydrophobicContact CZ-CG 3.45Å; F453-L457 VanDerWaalsContact CZ-CG 3.45Å; F453-Q458 HydrophobicContact CB-CG 3.97Å; F453-Q458 HydrophobicContact CD1-CB 4.43Å; F453-Q458 HydrophobicContact CD1-CG 3.76Å; F453-Q458 HydrophobicContact CG-CG 4.35Å; F453-Q458 PolarHBondContact O-NE2 3.14Å; F453-I461 HydrophobicContact CD1-CD1 4.41Å; F453-I461 HydrophobicContact CE1-CD1 3.37Å; F453-I461 HydrophobicContact CE1-CG1 4.08Å; F453-I461 HydrophobicContact CZ-CD1 3.57Å
454	P	57.1	Low	52.2	Low	39 Å²	39	75.8 Å²	75.8	25%	0.253	38%	0.376	S	S	.	.			trans	-56.2	138.4	-178.4	-26	34.3	0	0	0	112.2	I456 L457 Q458	P454-I456 VanDerWaalsContact C-N 3.26Å; P454-I456 PolarHBondContact O-N 2.95Å; P454-L457 HydrophobicContact CB-CB 4.19Å; P454-L457 CarbonylContact O-C 3.58Å; P454-L457 WeakPolarHBondContact O-CA 3.42Å; P454-L457 PolarHBondContact O-N 2.96Å; P454-Q458 PolarHBondContact O-N 3.47Å
455	I	58.8	Low	52.9	Low	103 Å²	103	69.3 Å²	69.3	53%	0.528	34%	0.342	S	S	.	.	H	α-helix	trans	-55.2	-43.1	-175.6	-63.7	173	0	0	0	111.5	F453 L457 Q458 S459	F453-I455 PolarHBondContact O-N 3.34Å; I455-L457 VanDerWaalsContact C-N 3.32Å; I455-L457 PolarHBondContact O-N 3.28Å; I455-Q458 WeakPolarHBondContact O-CB 3.01Å; I455-Q458 PolarHBondContact O-N 2.97Å; I455-S459 PolarHBondContact O-N 3.32Å; I455-S459 PolarHBondContact O-OG 3.4Å
456	I	57.7	Low	53.5	Low	8 Å²	8	65 Å²	65	4%	0.041	32%	0.318	C	S	.	.	H	α-helix	trans	-52.9	-49.6	173.5	-64.1	172.8	0	0	0	110.7	M366 P454 S459 F460	M366-I456 HydrophobicContact CB-CD1 4.09Å; M366-I456 HydrophobicContact SD-CD1 4.46Å; P454-I456 VanDerWaalsContact C-N 3.26Å; P454-I456 PolarHBondContact O-N 2.95Å; I456-S459 WeakPolarHBondContact O-CA 3.17Å; I456-S459 WeakPolarHBondContact O-CB 3.34Å; I456-S459 PolarHBondContact O-N 3.04Å; I456-F460 HydrophobicContact CG2-CD2 3.9Å; I456-F460 HydrophobicContact CG2-CE2 3.53Å; I456-F460 WeakPolarHBondContact O-CD2 3.31Å; I456-F460 PolarHBondContact O-N 3.25Å
457	L	60.9	Low	54.6	Low	5 Å²	5	57.6 Å²	57.6	3%	0.026	28%	0.278	C	S	.	.	H	α-helix	trans	-73.1	-31.8	-177.4	-153.7	62.2	0	0	0	112.2	L351 L355 F453 P454 I455 F460 I461	L351-L457 HydrophobicContact CD1-CD1 3.49Å; L351-L457 VanDerWaalsContact CD1-CD1 3.49Å; L355-L457 HydrophobicContact CD2-CD1 4.21Å; L355-L457 HydrophobicContact CD2-CD2 4.13Å; F453-L457 HydrophobicContact CD1-CB 3.97Å; F453-L457 HydrophobicContact CD1-CD2 4.49Å; F453-L457 HydrophobicContact CD1-CG 4.26Å; F453-L457 HydrophobicContact CD2-CD2 4.5Å; F453-L457 VanDerWaalsContact CE1-C 3.49Å; F453-L457 HydrophobicContact CE1-CB 3.59Å; F453-L457 HydrophobicContact CE1-CD2 3.75Å; F453-L457 HydrophobicContact CE1-CG 3.41Å; F453-L457 VanDerWaalsContact CE1-CG 3.41Å; F453-L457 WeakPolarHBondContact CE1-O 3.33Å; F453-L457 HydrophobicContact CE2-CD2 3.73Å; F453-L457 HydrophobicContact CE2-CG 4.34Å; F453-L457 HydrophobicContact CZ-CB 4.09Å; F453-L457 HydrophobicContact CZ-CD2 3.3Å; F453-L457 HydrophobicContact CZ-CG 3.45Å; F453-L457 VanDerWaalsContact CZ-CG 3.45Å; P454-L457 HydrophobicContact CB-CB 4.19Å; P454-L457 CarbonylContact O-C 3.58Å; P454-L457 WeakPolarHBondContact O-CA 3.42Å; P454-L457 PolarHBondContact O-N 2.96Å; I455-L457 VanDerWaalsContact C-N 3.32Å; I455-L457 PolarHBondContact O-N 3.28Å; L457-F460 PolarHBondContact O-N 3.03Å; L457-I461 PolarHBondContact O-N 2.98Å
458	Q	60.9	Low	55.5	Low	55 Å²	55	48.8 Å²	48.8	26%	0.257	24%	0.24	S	C	.	.	H	α-helix	trans	-60.4	-46.1	166.7	-63.7	-179.6	35.1	0	0	110.5	F453 P454 I455 F460 I461 I462	F453-Q458 HydrophobicContact CB-CG 3.97Å; F453-Q458 HydrophobicContact CD1-CB 4.43Å; F453-Q458 HydrophobicContact CD1-CG 3.76Å; F453-Q458 HydrophobicContact CG-CG 4.35Å; F453-Q458 PolarHBondContact O-NE2 3.14Å; P454-Q458 PolarHBondContact O-N 3.47Å; I455-Q458 WeakPolarHBondContact O-CB 3.01Å; I455-Q458 PolarHBondContact O-N 2.97Å; Q458-F460 VanDerWaalsContact C-N 3.29Å; Q458-F460 PolarHBondContact O-N 3.42Å; Q458-I461 PolarHBondContact O-N 3.25Å; Q458-I462 WeakPolarHBondContact O-CB 3.49Å; Q458-I462 WeakPolarHBondContact O-CD1 3.45Å; Q458-I462 WeakPolarHBondContact O-CG1 3.41Å; Q458-I462 PolarHBondContact O-N 3.16Å
459	S	58.7	Low	56.3	Low	1 Å²	1	40 Å²	40	1%	0.007	20%	0.199	C	C	.	.	H	α-helix	trans	-60	-37.6	176.2	-67.7	0	0	0	0	112.3	D368 R374 I455 I456 L463	D368-S459 WeakPolarHBondContact OD1-CB 3.28Å; D368-S459 WeakPolarHBondContact OD2-CB 2.85Å; D368-S459 PolarHBondContact OD2-OG 3.48Å; R374-S459 PolarHBondContact NH1-OG 3.28Å; R374-S459 PolarHBondContact NH2-OG 2.94Å; I455-S459 PolarHBondContact O-N 3.32Å; I455-S459 PolarHBondContact O-OG 3.4Å; I456-S459 WeakPolarHBondContact O-CA 3.17Å; I456-S459 WeakPolarHBondContact O-CB 3.34Å; I456-S459 PolarHBondContact O-N 3.04Å; S459-L463 WeakPolarHBondContact O-CB 3.46Å; S459-L463 PolarHBondContact O-N 3.18Å
460	F	64.5	Low	56.8	Low	3 Å²	3	36.8 Å²	36.8	1%	0.013	18%	0.176	C	C	.	.	H	α-helix	trans	-64.3	-47.3	171.6	-79.9	-67	0	0	0	114.3	T347 L351 A370 I456 L457 Q458 I462 L463 F464	T347-F460 HydrophobicContact CG2-CZ 4.41Å; T347-F460 WeakPolarHBondContact O-CZ 3.5Å; L351-F460 HydrophobicContact CB-CD1 4.5Å; L351-F460 HydrophobicContact CB-CD2 4.15Å; L351-F460 HydrophobicContact CB-CE1 4.09Å; L351-F460 HydrophobicContact CB-CE2 3.7Å; L351-F460 HydrophobicContact CB-CZ 3.71Å; L351-F460 HydrophobicContact CD1-CB 4.44Å; L351-F460 HydrophobicContact CD1-CD1 4.44Å; L351-F460 HydrophobicContact CD1-CD2 3.79Å; L351-F460 HydrophobicContact CD1-CE2 4.23Å; L351-F460 HydrophobicContact CD1-CG 3.95Å; L351-F460 HydrophobicContact CD2-CD1 4.38Å; L351-F460 HydrophobicContact CD2-CE1 4.49Å; L351-F460 HydrophobicContact CG-CD2 4.49Å; A370-F460 HydrophobicContact CB-CD1 4.21Å; A370-F460 HydrophobicContact CB-CD2 4.24Å; A370-F460 HydrophobicContact CB-CE1 3.89Å; A370-F460 HydrophobicContact CB-CE2 3.93Å; A370-F460 HydrophobicContact CB-CG 4.33Å; A370-F460 HydrophobicContact CB-CZ 3.69Å; I456-F460 HydrophobicContact CG2-CD2 3.9Å; I456-F460 HydrophobicContact CG2-CE2 3.53Å; I456-F460 WeakPolarHBondContact O-CD2 3.31Å; I456-F460 PolarHBondContact O-N 3.25Å; L457-F460 PolarHBondContact O-N 3.03Å; Q458-F460 VanDerWaalsContact C-N 3.29Å; Q458-F460 PolarHBondContact O-N 3.42Å; F460-I462 VanDerWaalsContact C-N 3.32Å; F460-I462 PolarHBondContact O-N 2.84Å; F460-L463 PolarHBondContact O-N 3Å; F460-F464 WeakPolarHBondContact O-CB 3.39Å; F460-F464 PolarHBondContact O-N 3.44Å
461	I	63	Low	56.7	Low	3 Å²	3	34.2 Å²	34.2	2%	0.015	17%	0.174	C	C	.	.	H	α-helix	trans	-63.4	-41.1	179.1	-69.9	-175.9	0	0	0	110.9	L428 L432 F453 L457 Q458 F464 F465 F517 L594	L428-I461 HydrophobicContact CD1-CG1 4.2Å; L432-I461 HydrophobicContact CD1-CD1 4.41Å; L432-I461 HydrophobicContact CD2-CD1 4.06Å; F453-I461 HydrophobicContact CD1-CD1 4.41Å; F453-I461 HydrophobicContact CE1-CD1 3.37Å; F453-I461 HydrophobicContact CE1-CG1 4.08Å; F453-I461 HydrophobicContact CZ-CD1 3.57Å; L457-I461 PolarHBondContact O-N 2.98Å; Q458-I461 PolarHBondContact O-N 3.25Å; I461-F464 PolarHBondContact O-N 2.83Å; I461-F465 HydrophobicContact CG2-CD2 3.55Å; I461-F465 HydrophobicContact CG2-CE2 3.39Å; I461-F465 VanDerWaalsContact O-CD2 3.28Å; I461-F465 WeakPolarHBondContact O-CD2 3.37Å; I461-F465 PolarHBondContact O-N 2.9Å; I461-F517 HydrophobicContact CG2-CZ 4.24Å; I461-L594 HydrophobicContact CB-CD2 4.37Å; I461-L594 HydrophobicContact CD1-CD2 4.34Å; I461-L594 HydrophobicContact CG2-CD2 3.82Å
462	I	60.1	Low	56.5	Low	6 Å²	6	30.6 Å²	30.6	3%	0.031	16%	0.163	C	C	.	.	H	α-helix	trans	-65.6	-40.8	177.5	-63.5	167.1	0	0	0	111.1	R374 Q458 F460 N466 L590 L594	R374-I462 HydrophobicContact CG-CG2 4.43Å; Q458-I462 WeakPolarHBondContact O-CB 3.49Å; Q458-I462 WeakPolarHBondContact O-CD1 3.45Å; Q458-I462 WeakPolarHBondContact O-CG1 3.41Å; Q458-I462 PolarHBondContact O-N 3.16Å; F460-I462 VanDerWaalsContact C-N 3.32Å; F460-I462 PolarHBondContact O-N 2.84Å; I462-N466 WeakPolarHBondContact O-CB 3.35Å; I462-N466 PolarHBondContact O-N 3.17Å; I462-L590 HydrophobicContact CB-CD1 4.48Å; I462-L590 HydrophobicContact CG1-CB 4.47Å; I462-L590 HydrophobicContact CG1-CD1 4.02Å; I462-L590 HydrophobicContact CG1-CD2 4.17Å; I462-L590 HydrophobicContact CG1-CG 4.44Å; I462-L590 HydrophobicContact CG2-CD1 3.96Å; I462-L594 HydrophobicContact CD1-CD1 4.44Å
463	L	61.9	Low	56.5	Low	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-63	-42.8	174.6	178.6	62.9	0	0	0	111.8	L373 L377 Y391 S459 F460 N466 F467	L373-L463 HydrophobicContact CD2-CD1 4.36Å; L373-L463 HydrophobicContact CD2-CD2 3.95Å; L373-L463 HydrophobicContact CG-CD1 4.3Å; L377-L463 HydrophobicContact CD1-CD1 3.45Å; L377-L463 VanDerWaalsContact CD1-CD1 3.45Å; Y391-L463 HydrophobicContact CE2-CD2 4.27Å; Y391-L463 WeakPolarHBondContact OH-CD2 3.29Å; S459-L463 WeakPolarHBondContact O-CB 3.46Å; S459-L463 PolarHBondContact O-N 3.18Å; F460-L463 PolarHBondContact O-N 3Å; L463-N466 WeakPolarHBondContact O-CB 3.39Å; L463-N466 PolarHBondContact O-N 3.22Å; L463-F467 HydrophobicContact CD1-CD2 4.4Å; L463-F467 HydrophobicContact CD1-CE1 4.41Å; L463-F467 HydrophobicContact CD1-CE2 3.62Å; L463-F467 HydrophobicContact CD1-CZ 3.64Å; L463-F467 HydrophobicContact CD2-CE2 4.24Å; L463-F467 HydrophobicContact CG-CD2 4.23Å; L463-F467 HydrophobicContact CG-CE2 3.59Å; L463-F467 HydrophobicContact CG-CZ 4.14Å; L463-F467 VanDerWaalsContact O-CD2 3.27Å; L463-F467 WeakPolarHBondContact O-CD2 3.35Å; L463-F467 PolarHBondContact O-N 3.45Å; L463-F467 VanDerWaalsContact O-N 3.12Å
464	F	66.6	Low	56.3	Low	6 Å²	6	32.1 Å²	32.1	3%	0.026	18%	0.177	C	C	.	.	H	α-helix	trans	-66.9	-43.9	177.8	-179	-122	0	0	0	112.6	F424 Y425 L428 F460 I461 N466 F467 I468 L475 F517	F424-F464 AromaticContact CD1-CD2 3.79Å; F424-F464 HydrophobicContact CD1-CD2 3.79Å; F424-F464 AromaticContact CD1-CE2 3.58Å; F424-F464 HydrophobicContact CD1-CE2 3.58Å; F424-F464 HydrophobicContact CD1-CZ 4.23Å; F424-F464 HydrophobicContact CE1-CB 4.4Å; F424-F464 AromaticContact CE1-CD2 3.43Å; F424-F464 HydrophobicContact CE1-CD2 3.43Å; F424-F464 VanDerWaalsContact CE1-CD2 3.43Å; F424-F464 AromaticContact CE1-CE2 3.72Å; F424-F464 HydrophobicContact CE1-CE2 3.72Å; F424-F464 AromaticContact CE1-CG 3.91Å; F424-F464 HydrophobicContact CE1-CG 3.91Å; F424-F464 HydrophobicContact CE1-CZ 4.41Å; Y425-F464 AromaticContact CD2-CE1 3.69Å; Y425-F464 HydrophobicContact CD2-CE1 3.69Å; Y425-F464 AromaticContact CD2-CZ 3.73Å; Y425-F464 HydrophobicContact CD2-CZ 3.73Å; Y425-F464 HydrophobicContact CE2-CE1 4.26Å; Y425-F464 HydrophobicContact CG-CZ 4.22Å; L428-F464 HydrophobicContact CD2-CB 4.5Å; L428-F464 HydrophobicContact CD2-CD1 3.29Å; L428-F464 HydrophobicContact CD2-CE1 3.57Å; L428-F464 HydrophobicContact CD2-CG 4.03Å; L428-F464 HydrophobicContact CD2-CZ 4.5Å; F460-F464 WeakPolarHBondContact O-CB 3.39Å; F460-F464 PolarHBondContact O-N 3.44Å; I461-F464 PolarHBondContact O-N 2.83Å; F464-N466 VanDerWaalsContact C-N 3.32Å; F464-N466 PolarHBondContact O-N 3.3Å; F464-F467 PolarHBondContact O-N 3.45Å; F464-F467 VanDerWaalsContact O-N 3.11Å; F464-I468 HydrophobicContact CD1-CD1 3.89Å; F464-I468 HydrophobicContact CD2-CD1 4.49Å; F464-I468 HydrophobicContact CE1-CD1 3.51Å; F464-I468 HydrophobicContact CE1-CG1 4.48Å; F464-I468 HydrophobicContact CE2-CD1 4.15Å; F464-I468 HydrophobicContact CE2-CG1 4.29Å; F464-I468 HydrophobicContact CG-CD1 4.38Å; F464-I468 HydrophobicContact CZ-CD1 3.66Å; F464-I468 HydrophobicContact CZ-CG1 4.25Å; F464-I468 PolarHBondContact O-N 3.43Å; F464-L475 HydrophobicContact CE1-CD2 4.18Å; F464-L475 HydrophobicContact CZ-CD2 3.86Å; F464-F517 HydrophobicContact CD1-CE1 4.08Å; F464-F517 HydrophobicContact CE1-CD1 4.43Å; F464-F517 HydrophobicContact CE1-CE1 4.12Å
465	F	60.1	Low	56.6	Low	2 Å²	2	31.2 Å²	31.2	1%	0.009	17%	0.171	C	C	.	.	H	α-helix	trans	-59.8	-41	171.4	-81.5	-57.5	0	0	0	111.9	I461 F467 I468 Y469 F517 I520 I521 L590	I461-F465 HydrophobicContact CG2-CD2 3.55Å; I461-F465 HydrophobicContact CG2-CE2 3.39Å; I461-F465 VanDerWaalsContact O-CD2 3.28Å; I461-F465 WeakPolarHBondContact O-CD2 3.37Å; I461-F465 PolarHBondContact O-N 2.9Å; F465-F467 VanDerWaalsContact C-N 3.26Å; F465-F467 PolarHBondContact O-N 2.68Å; F465-I468 PolarHBondContact O-N 2.8Å; F465-Y469 HydrophobicContact CB-CD2 4.05Å; F465-Y469 HydrophobicContact CB-CE2 4.06Å; F465-Y469 HydrophobicContact CD1-CD2 4.36Å; F465-Y469 AromaticContact CD1-CE2 3.73Å; F465-Y469 HydrophobicContact CD1-CE2 3.73Å; F465-Y469 HydrophobicContact CG-CE2 4.18Å; F465-Y469 WeakPolarHBondContact O-CB 3.16Å; F465-Y469 WeakPolarHBondContact O-CD2 3.27Å; F465-Y469 PolarHBondContact O-N 3.01Å; F465-F517 AromaticContact CE1-CD1 3.76Å; F465-F517 HydrophobicContact CE1-CD1 3.76Å; F465-F517 AromaticContact CE1-CE1 3.89Å; F465-F517 HydrophobicContact CE1-CE1 3.89Å; F465-F517 AromaticContact CE2-CE1 3.93Å; F465-F517 HydrophobicContact CE2-CE1 3.93Å; F465-F517 HydrophobicContact CE2-CZ 4.22Å; F465-F517 AromaticContact CZ-CD1 3.62Å; F465-F517 HydrophobicContact CZ-CD1 3.62Å; F465-F517 AromaticContact CZ-CE1 3.46Å; F465-F517 HydrophobicContact CZ-CE1 3.46Å; F465-F517 VanDerWaalsContact CZ-CE1 3.46Å; F465-F517 HydrophobicContact CZ-CG 4.27Å; F465-F517 AromaticContact CZ-CZ 3.99Å; F465-F517 HydrophobicContact CZ-CZ 3.99Å; F465-I520 HydrophobicContact CE1-CB 4.48Å; F465-I520 HydrophobicContact CE1-CG2 3.71Å; F465-I520 HydrophobicContact CZ-CD1 4.28Å; F465-I520 HydrophobicContact CZ-CG2 3.85Å; F465-I521 HydrophobicContact CD1-CD1 4.39Å; F465-I521 HydrophobicContact CD1-CG1 4.45Å; F465-I521 HydrophobicContact CE1-CD1 4.03Å; F465-I521 HydrophobicContact CE1-CG1 4.21Å; F465-L590 HydrophobicContact CD2-CD2 3.96Å; F465-L590 HydrophobicContact CE2-CD2 4.4Å
466	N	53.5	Low	56.7	Low	24 Å²	24	27.9 Å²	27.9	13%	0.128	16%	0.156	C	C	.	.	H	α-helix	trans	-57.7	-37.5	174	-91.2	-19.8	0	0	0	112.5	I462 L463 F464 S470	I462-N466 WeakPolarHBondContact O-CB 3.35Å; I462-N466 PolarHBondContact O-N 3.17Å; L463-N466 WeakPolarHBondContact O-CB 3.39Å; L463-N466 PolarHBondContact O-N 3.22Å; F464-N466 VanDerWaalsContact C-N 3.32Å; F464-N466 PolarHBondContact O-N 3.3Å; N466-S470 WeakPolarHBondContact O-CB 3.47Å; N466-S470 PolarHBondContact O-N 3.36Å; N466-S470 PolarHBondContact O-OG 3.42Å
467	F	55.2	Low	57	Low	12 Å²	12	34.9 Å²	34.9	5%	0.053	19%	0.188	C	C	.	.	H	α-helix	trans	-73	-38.2	174.8	-64.7	-44.1	0	0	0	113.6	L377 F387 F388 Y391 L463 F464 F465 S470 L472 C473	L377-F467 HydrophobicContact CD1-CE1 4.03Å; L377-F467 HydrophobicContact CD1-CZ 4.12Å; F387-F467 HydrophobicContact CE1-CE1 4.18Å; F387-F467 HydrophobicContact CE1-CZ 4.06Å; F387-F467 HydrophobicContact CZ-CZ 4.4Å; F388-F467 AromaticContact CE1-CD1 3.5Å; F388-F467 HydrophobicContact CE1-CD1 3.5Å; F388-F467 AromaticContact CE1-CE1 3.61Å; F388-F467 HydrophobicContact CE1-CE1 3.61Å; F388-F467 HydrophobicContact CE1-CG 4.23Å; F388-F467 HydrophobicContact CE1-CZ 4.4Å; F388-F467 AromaticContact CZ-CD1 3.9Å; F388-F467 HydrophobicContact CZ-CD1 3.9Å; F388-F467 AromaticContact CZ-CE1 3.94Å; F388-F467 HydrophobicContact CZ-CE1 3.94Å; Y391-F467 HydrophobicContact CD1-CE2 4.03Å; Y391-F467 HydrophobicContact CD1-CZ 4.45Å; Y391-F467 HydrophobicContact CE1-CD2 4.05Å; Y391-F467 AromaticContact CE1-CE2 3.45Å; Y391-F467 HydrophobicContact CE1-CE2 3.45Å; Y391-F467 VanDerWaalsContact CE1-CE2 3.45Å; Y391-F467 HydrophobicContact CE1-CZ 4.26Å; Y391-F467 HydrophobicContact CE2-CE2 4.31Å; Y391-F467 AromaticContact CZ-CE2 3.62Å; L463-F467 HydrophobicContact CD1-CD2 4.4Å; L463-F467 HydrophobicContact CD1-CE1 4.41Å; L463-F467 HydrophobicContact CD1-CE2 3.62Å; L463-F467 HydrophobicContact CD1-CZ 3.64Å; L463-F467 HydrophobicContact CD2-CE2 4.24Å; L463-F467 HydrophobicContact CG-CD2 4.23Å; L463-F467 HydrophobicContact CG-CE2 3.59Å; L463-F467 HydrophobicContact CG-CZ 4.14Å; L463-F467 VanDerWaalsContact O-CD2 3.27Å; L463-F467 WeakPolarHBondContact O-CD2 3.35Å; L463-F467 PolarHBondContact O-N 3.45Å; L463-F467 VanDerWaalsContact O-N 3.12Å; F464-F467 PolarHBondContact O-N 3.45Å; F464-F467 VanDerWaalsContact O-N 3.11Å; F465-F467 VanDerWaalsContact C-N 3.26Å; F465-F467 PolarHBondContact O-N 2.68Å; F467-S470 WeakPolarHBondContact CA-OG 3.38Å; F467-S470 PolarHBondContact O-OG 3.17Å; F467-L472 PolarHBondContact O-N 3.2Å; F467-L472 VanDerWaalsContact O-N 3.14Å; F467-C473 PolarHBondContact O-N 3.48Å; F467-C473 VanDerWaalsContact O-N 3.17Å
468	I	56	Low	57	Low	3 Å²	3	39.1 Å²	39.1	2%	0.015	21%	0.211	C	C	.	.	H	α-helix	trans	-64.6	-55.5	174.5	-64.4	166.8	0	0	0	110.8	F464 F465 S470 G471 C473 L475 I521 F526	F464-I468 HydrophobicContact CD1-CD1 3.89Å; F464-I468 HydrophobicContact CD2-CD1 4.49Å; F464-I468 HydrophobicContact CE1-CD1 3.51Å; F464-I468 HydrophobicContact CE1-CG1 4.48Å; F464-I468 HydrophobicContact CE2-CD1 4.15Å; F464-I468 HydrophobicContact CE2-CG1 4.29Å; F464-I468 HydrophobicContact CG-CD1 4.38Å; F464-I468 HydrophobicContact CZ-CD1 3.66Å; F464-I468 HydrophobicContact CZ-CG1 4.25Å; F464-I468 PolarHBondContact O-N 3.43Å; F465-I468 PolarHBondContact O-N 2.8Å; I468-S470 PolarHBondContact O-N 2.95Å; I468-G471 PolarHBondContact O-N 3.34Å; I468-C473 WeakPolarHBondContact CA-O 3.34Å; I468-C473 HydrophobicContact CG1-CB 4.08Å; I468-L475 HydrophobicContact CD1-CD1 4.45Å; I468-L475 HydrophobicContact CD1-CD2 3.59Å; I468-L475 HydrophobicContact CD1-CG 3.94Å; I468-L475 HydrophobicContact CG1-CD2 4.39Å; I468-I521 HydrophobicContact CD1-CD1 3.83Å; I468-I521 HydrophobicContact CG2-CD1 3.83Å; I468-I521 HydrophobicContact CG2-CG1 4.1Å; I468-I521 HydrophobicContact CG2-CG2 4.39Å; I468-F526 WeakPolarHBondContact O-CZ 3.31Å
469	Y	51.1	Low	57	Low	2 Å²	2	38.6 Å²	38.6	1%	0.008	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-5.6	-177	-70.2	-63	0	0	0	114.2	F465 I520 I521 F529 R533 M585	F465-Y469 HydrophobicContact CB-CD2 4.05Å; F465-Y469 HydrophobicContact CB-CE2 4.06Å; F465-Y469 HydrophobicContact CD1-CD2 4.36Å; F465-Y469 AromaticContact CD1-CE2 3.73Å; F465-Y469 HydrophobicContact CD1-CE2 3.73Å; F465-Y469 HydrophobicContact CG-CE2 4.18Å; F465-Y469 WeakPolarHBondContact O-CB 3.16Å; F465-Y469 WeakPolarHBondContact O-CD2 3.27Å; F465-Y469 PolarHBondContact O-N 3.01Å; Y469-I520 VanDerWaalsContact OH-CG2 3.29Å; Y469-I520 WeakPolarHBondContact OH-CG2 3.07Å; Y469-I520 PolarHBondContact OH-O 3.3Å; Y469-I521 HydrophobicContact CE1-CG1 4.17Å; Y469-F529 AromaticContact CD1-CD1 3.79Å; Y469-F529 HydrophobicContact CD1-CD1 3.79Å; Y469-F529 HydrophobicContact CD1-CE1 4.01Å; Y469-F529 HydrophobicContact CD2-CE1 4.18Å; Y469-F529 AromaticContact CG-CD1 3.91Å; Y469-F529 HydrophobicContact CG-CD1 3.91Å; Y469-F529 AromaticContact CG-CE1 3.7Å; Y469-F529 HydrophobicContact CG-CE1 3.7Å; Y469-R533 PolarHBondContact O-NH1 3.18Å; Y469-M585 HydrophobicContact CD2-CE 4.37Å; Y469-M585 HydrophobicContact CD2-SD 4.11Å; Y469-M585 HydrophobicContact CE2-CE 3.6Å; Y469-M585 HydrophobicContact CE2-SD 3.84Å
470	S	48	Very low	57.2	Low	43 Å²	43	44.8 Å²	44.8	30%	0.301	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-1.3	168.7	46.6	0	0	0	0	113.2	N466 F467 I468 L472	N466-S470 WeakPolarHBondContact O-CB 3.47Å; N466-S470 PolarHBondContact O-N 3.36Å; N466-S470 PolarHBondContact O-OG 3.42Å; F467-S470 WeakPolarHBondContact CA-OG 3.38Å; F467-S470 PolarHBondContact O-OG 3.17Å; I468-S470 PolarHBondContact O-N 2.95Å; S470-L472 VanDerWaalsContact C-N 3.27Å; S470-L472 WeakPolarHBondContact OG-CD1 3.41Å
471	G	44.4	Very low	56.7	Low	45 Å²	45	49 Å²	49	46%	0.464	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.7	8.2	-175.5	0	0	0	0	0	113.8	I468	I468-G471 PolarHBondContact O-N 3.34Å
472	L	43.2	Very low	56.5	Low	93 Å²	93	49.3 Å²	49.3	49%	0.487	27%	0.265	S	S	.	.	S	Bend	trans	-96.2	-13.4	-170	-56.1	172.9	0	0	0	112.1	F388 F467 S470	F388-L472 HydrophobicContact CE1-CB 4.01Å; F388-L472 HydrophobicContact CE1-CD1 4.25Å; F388-L472 HydrophobicContact CE2-CB 4.39Å; F388-L472 HydrophobicContact CE2-CD1 3.55Å; F388-L472 HydrophobicContact CE2-CG 4.34Å; F388-L472 HydrophobicContact CZ-CB 3.89Å; F388-L472 HydrophobicContact CZ-CD1 3.3Å; F388-L472 HydrophobicContact CZ-CG 4.11Å; F467-L472 PolarHBondContact O-N 3.2Å; F467-L472 VanDerWaalsContact O-N 3.14Å; S470-L472 VanDerWaalsContact C-N 3.27Å; S470-L472 WeakPolarHBondContact OG-CD1 3.41Å
473	C	49.5	Very low	56.4	Low	42 Å²	42	50.3 Å²	50.3	28%	0.284	27%	0.27	S	S	.	.	S	Bend	trans	-131.9	134.4	160.6	-167.3	0	0	0	0	108.9	F467 I468	F467-C473 PolarHBondContact O-N 3.48Å; F467-C473 VanDerWaalsContact O-N 3.17Å; I468-C473 WeakPolarHBondContact CA-O 3.34Å; I468-C473 HydrophobicContact CG1-CB 4.08Å
474	K	51.3	Low	56.2	Low	179 Å²	179	54 Å²	54	78%	0.778	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-90.3	153.4	161	-73.1	-167.9	172.8	-167.8	0	109
475	L	62.4	Low	55.5	Low	21 Å²	21	58.6 Å²	58.6	11%	0.11	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-84.9	145.7	157.4	-68	-168.5	0	0	0	109	Y425 F464 I468 F517 L518 I521	Y425-L475 HydrophobicContact CD1-CD2 3.85Å; Y425-L475 HydrophobicContact CD2-CD2 3.58Å; Y425-L475 HydrophobicContact CE1-CB 4.44Å; Y425-L475 HydrophobicContact CE1-CD1 4.25Å; Y425-L475 HydrophobicContact CE1-CD2 3.85Å; Y425-L475 HydrophobicContact CE1-CG 4.41Å; Y425-L475 HydrophobicContact CE2-CD1 4.04Å; Y425-L475 HydrophobicContact CE2-CD2 3.59Å; Y425-L475 HydrophobicContact CE2-CG 4.47Å; Y425-L475 HydrophobicContact CG-CD2 3.69Å; F464-L475 HydrophobicContact CE1-CD2 4.18Å; F464-L475 HydrophobicContact CZ-CD2 3.86Å; I468-L475 HydrophobicContact CD1-CD1 4.45Å; I468-L475 HydrophobicContact CD1-CD2 3.59Å; I468-L475 HydrophobicContact CD1-CG 3.94Å; I468-L475 HydrophobicContact CG1-CD2 4.39Å; L475-F517 HydrophobicContact CD1-CB 4.08Å; L475-L518 HydrophobicContact CB-CD2 4.33Å; L475-L518 HydrophobicContact CD1-CD2 4.18Å; L475-I521 HydrophobicContact CD1-CD1 3.31Å; L475-I521 HydrophobicContact CG-CD1 3.87Å
476	P	62.6	Low	54.9	Low	33 Å²	33	63.3 Å²	63.3	21%	0.214	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-66.1	141.2	160.2	27.1	-28.3	0	0	0	109.3	Y425 D481 I482	Y425-P476 HydrophobicContact CD1-CG 3.78Å; Y425-P476 HydrophobicContact CE1-CG 4.14Å; P476-D481 HydrophobicContact CB-CB 4.14Å; P476-I482 HydrophobicContact CB-CG2 4.05Å; P476-I482 HydrophobicContact CG-CG2 3.19Å
477	E	62.6	Low	54.7	Low	154 Å²	154	64.6 Å²	64.6	72%	0.72	35%	0.346	S	S	*	.	S	Bend	trans	-89.3	-27	-172.6	-66.7	173.1	-165.7	0	0	111.9
478	N	62.2	Low	54.3	Low	95 Å²	95	64.9 Å²	64.9	51%	0.508	35%	0.348	S	S	.	.	S	Bend	trans	-96.9	139.5	174.4	-44.5	-70.8	0	0	0	112	N480 D481	N478-N480 VanDerWaalsContact C-N 3.26Å; N478-N480 PolarHBondContact O-N 3.07Å; N478-D481 WeakPolarHBondContact CB-OD2 3.48Å; N478-D481 PolarHBondContact ND2-OD2 3.14Å; N478-D481 PolarHBondContact O-N 3.12Å
479	F	60.8	Low	53.6	Low	44 Å²	44	67.7 Å²	67.7	19%	0.193	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-61.3	-32	170.8	173.2	-93.8	0	0	0	113.1	D481 I482 L483 L507 F510 T511 H514	F479-D481 VanDerWaalsContact C-N 3.3Å; F479-D481 PolarHBondContact O-N 2.89Å; F479-I482 WeakPolarHBondContact O-CG1 3.27Å; F479-I482 PolarHBondContact O-N 3.39Å; F479-L483 HydrophobicContact CE1-CB 4.32Å; F479-L483 HydrophobicContact CE1-CD1 4.26Å; F479-L483 HydrophobicContact CE1-CD2 3.92Å; F479-L483 HydrophobicContact CE1-CG 4.39Å; F479-L483 HydrophobicContact CZ-CD1 3.96Å; F479-L483 HydrophobicContact CZ-CD2 4.39Å; F479-L483 PolarHBondContact O-N 3.21Å; F479-L507 HydrophobicContact CZ-CD2 4Å; F479-F510 HydrophobicContact CD2-CD1 4.1Å; F479-F510 HydrophobicContact CE2-CB 4.34Å; F479-F510 AromaticContact CE2-CD1 3.57Å; F479-F510 HydrophobicContact CE2-CD1 3.57Å; F479-F510 HydrophobicContact CE2-CE1 4.33Å; F479-F510 HydrophobicContact CE2-CG 4.35Å; F479-F510 HydrophobicContact CZ-CD1 4.42Å; F479-T511 WeakPolarHBondContact CE2-OG1 3.37Å; F479-T511 WeakPolarHBondContact CZ-OG1 3.33Å; F479-H514 AromaticContact CD2-CD2 3.98Å; F479-H514 PolarHBondContact N-NE2 3.39Å
480	N	61.7	Low	53.3	Low	131 Å²	131	69 Å²	69	70%	0.701	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-69.6	-28.5	-178.6	-66	-7.2	0	0	0	112.3	N478 I482	N478-N480 VanDerWaalsContact C-N 3.26Å; N478-N480 PolarHBondContact O-N 3.07Å; N480-I482 PolarHBondContact O-N 2.98Å; N480-I482 VanDerWaalsContact O-N 3.12Å
481	D	54.5	Low	53.2	Low	92 Å²	92	71.2 Å²	71.2	49%	0.492	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-70.6	-7.1	-179.5	-52.7	-14.9	0	0	0	112.8	P476 N478 F479	P476-D481 HydrophobicContact CB-CB 4.14Å; N478-D481 WeakPolarHBondContact CB-OD2 3.48Å; N478-D481 PolarHBondContact ND2-OD2 3.14Å; N478-D481 PolarHBondContact O-N 3.12Å; F479-D481 VanDerWaalsContact C-N 3.3Å; F479-D481 PolarHBondContact O-N 2.89Å
482	I	59.4	Low	52.9	Low	8 Å²	8	73.5 Å²	73.5	4%	0.041	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-129	-6.5	-175.1	53.6	176.3	0	0	0	114.7	Y425 P426 I429 P476 F479 N480 D484 F510 H514	Y425-I482 HydrophobicContact CD1-CD1 4.18Å; Y425-I482 HydrophobicContact CD1-CG2 4.22Å; Y425-I482 HydrophobicContact CE1-CD1 3.83Å; P426-I482 HydrophobicContact CB-CB 4.43Å; P426-I482 HydrophobicContact CG-CB 3.78Å; P426-I482 HydrophobicContact CG-CG2 3.77Å; I429-I482 HydrophobicContact CD1-CD1 3.8Å; P476-I482 HydrophobicContact CB-CG2 4.05Å; P476-I482 HydrophobicContact CG-CG2 3.19Å; F479-I482 WeakPolarHBondContact O-CG1 3.27Å; F479-I482 PolarHBondContact O-N 3.39Å; N480-I482 PolarHBondContact O-N 2.98Å; N480-I482 VanDerWaalsContact O-N 3.12Å; I482-D484 PolarHBondContact O-N 2.84Å; I482-F510 HydrophobicContact CD1-CE1 3.89Å; I482-F510 HydrophobicContact CG1-CE1 4.07Å; I482-H514 HydrophobicContact CD1-CB 4.48Å; I482-H514 WeakPolarHBondContact CD1-ND1 3.26Å
483	L	57.8	Low	52.8	Low	28 Å²	28	75.4 Å²	75.4	15%	0.147	40%	0.396	C	S	.	.			trans	-87.3	92.8	179.6	-171.7	77.2	0	0	0	110.6	F479 I485 L488 L507	F479-L483 HydrophobicContact CE1-CB 4.32Å; F479-L483 HydrophobicContact CE1-CD1 4.26Å; F479-L483 HydrophobicContact CE1-CD2 3.92Å; F479-L483 HydrophobicContact CE1-CG 4.39Å; F479-L483 HydrophobicContact CZ-CD1 3.96Å; F479-L483 HydrophobicContact CZ-CD2 4.39Å; F479-L483 PolarHBondContact O-N 3.21Å; L483-I485 HydrophobicContact CD2-CD1 4.25Å; L483-I485 HydrophobicContact CD2-CG1 3.81Å; L483-I485 HydrophobicContact CG-CG1 4.09Å; L483-I485 PolarHBondContact O-N 3.22Å; L483-L488 HydrophobicContact CD1-CD1 3.87Å; L483-L488 HydrophobicContact CG-CD1 4.43Å; L483-L507 HydrophobicContact CD1-CD2 3.7Å; L483-L507 HydrophobicContact CD2-CD2 4.02Å
484	D	56.5	Low	52.3	Low	78 Å²	78	79.3 Å²	79.3	42%	0.417	41%	0.408	S	S	.	.			trans	-74.3	92.1	169.5	-171.4	-12.5	0	0	0	110.8	I482 T486 Y487 L488	I482-D484 PolarHBondContact O-N 2.84Å; D484-T486 PolarHBondContact O-N 3.23Å; D484-T486 WeakPolarHBondContact OD1-CA 3.44Å; D484-T486 WeakPolarHBondContact OD1-CB 3.44Å; D484-T486 PolarHBondContact OD1-N 3.32Å; D484-T486 PolarHBondContact OD1-OG1 3.25Å; D484-Y487 PolarHBondContact O-N 3.38Å; D484-Y487 PolarHBondContact OD1-N 3.28Å; D484-L488 PolarHBondContact O-N 2.81Å
485	I	51.8	Low	51.6	Low	102 Å²	102	74 Å²	74	52%	0.523	39%	0.391	S	S	.	.	H	α-helix	trans	-62.8	-29.7	175.9	-58	175.7	0	0	0	111.1	L483 L488 S489	L483-I485 HydrophobicContact CD2-CD1 4.25Å; L483-I485 HydrophobicContact CD2-CG1 3.81Å; L483-I485 HydrophobicContact CG-CG1 4.09Å; L483-I485 PolarHBondContact O-N 3.22Å; I485-L488 PolarHBondContact O-N 3.21Å; I485-S489 PolarHBondContact O-N 2.93Å; I485-S489 PolarHBondContact O-OG 2.79Å
486	T	48.4	Very low	50.4	Low	101 Å²	101	82.9 Å²	82.9	62%	0.62	43%	0.428	S	S	*	.	H	α-helix	trans	-73.1	-37.6	179.6	76.9	0	0	0	0	111.6	D484 L488 S489 S490	D484-T486 PolarHBondContact O-N 3.23Å; D484-T486 WeakPolarHBondContact OD1-CA 3.44Å; D484-T486 WeakPolarHBondContact OD1-CB 3.44Å; D484-T486 PolarHBondContact OD1-N 3.32Å; D484-T486 PolarHBondContact OD1-OG1 3.25Å; T486-L488 VanDerWaalsContact C-N 3.31Å; T486-L488 PolarHBondContact O-N 2.87Å; T486-S489 PolarHBondContact O-OG 3.27Å; T486-S489 VanDerWaalsContact O-OG 3.06Å; T486-S490 WeakPolarHBondContact O-CB 3.3Å; T486-S490 PolarHBondContact O-N 2.82Å; T486-S490 VanDerWaalsContact O-N 3.08Å
487	Y	49	Very low	49	Very low	50 Å²	50	91.1 Å²	91.1	20%	0.196	46%	0.461	C	S	.	.	H	α-helix	trans	-59.6	-43.1	170.6	-176.1	-83	0	0	0	111	L403 N430 D484 S490 Q491	L403-Y487 HydrophobicContact CD2-CD2 4.34Å; L403-Y487 HydrophobicContact CD2-CE2 4.18Å; N430-Y487 VanDerWaalsContact ND2-CE1 3.29Å; N430-Y487 WeakPolarHBondContact ND2-CE1 3.38Å; D484-Y487 PolarHBondContact O-N 3.38Å; D484-Y487 PolarHBondContact OD1-N 3.28Å; Y487-S490 PolarHBondContact O-N 3.29Å; Y487-S490 PolarHBondContact O-OG 3.33Å; Y487-Q491 HydrophobicContact CD1-CG 4.34Å; Y487-Q491 HydrophobicContact CE1-CG 3.86Å; Y487-Q491 PolarHBondContact O-N 3.12Å; Y487-Q491 PolarHBondContact OH-NE2 3.09Å
488	L	47.4	Very low	47.7	Very low	18 Å²	18	87.6 Å²	87.6	9%	0.094	45%	0.45	C	S	.	.	H	α-helix	trans	-66.7	-44.2	-178.6	-67.8	169.9	0	0	0	113	L483 D484 I485 T486 S490 Q491 N492 Y503 Y506	L483-L488 HydrophobicContact CD1-CD1 3.87Å; L483-L488 HydrophobicContact CG-CD1 4.43Å; D484-L488 PolarHBondContact O-N 2.81Å; I485-L488 PolarHBondContact O-N 3.21Å; T486-L488 VanDerWaalsContact C-N 3.31Å; T486-L488 PolarHBondContact O-N 2.87Å; L488-S490 VanDerWaalsContact C-N 3.29Å; L488-S490 PolarHBondContact O-N 2.82Å; L488-Q491 PolarHBondContact O-N 2.8Å; L488-N492 PolarHBondContact O-N 3.04Å; L488-Y503 HydrophobicContact CD1-CE2 4.34Å; L488-Y506 HydrophobicContact CD1-CD1 4.3Å; L488-Y506 HydrophobicContact CD1-CE1 3.98Å; L488-Y506 HydrophobicContact CD2-CD1 3.8Å; L488-Y506 HydrophobicContact CD2-CD2 4.43Å; L488-Y506 HydrophobicContact CD2-CE1 3.43Å; L488-Y506 VanDerWaalsContact CD2-CE1 3.43Å; L488-Y506 HydrophobicContact CD2-CE2 4.1Å; L488-Y506 HydrophobicContact CD2-CG 4.31Å; L488-Y506 HydrophobicContact CG-CE1 4.32Å
489	S	41.7	Very low	46.7	Very low	63 Å²	63	86.3 Å²	86.3	44%	0.441	45%	0.448	S	S	.	.	H	α-helix	trans	-64.3	-34.3	175.1	65.3	0	0	0	0	112.4	I485 T486 Q491 N493	I485-S489 PolarHBondContact O-N 2.93Å; I485-S489 PolarHBondContact O-OG 2.79Å; T486-S489 PolarHBondContact O-OG 3.27Å; T486-S489 VanDerWaalsContact O-OG 3.06Å; S489-Q491 VanDerWaalsContact C-N 3.33Å; S489-Q491 PolarHBondContact O-N 2.83Å; S489-N493 PolarHBondContact O-N 3.38Å
490	S	44.2	Very low	45.9	Very low	30 Å²	30	92.2 Å²	92.2	21%	0.21	48%	0.48	C	S	.	.	H	α-helix	trans	-64.3	-32.5	178	82.3	0	0	0	0	114.2	T486 Y487 L488	T486-S490 WeakPolarHBondContact O-CB 3.3Å; T486-S490 PolarHBondContact O-N 2.82Å; T486-S490 VanDerWaalsContact O-N 3.08Å; Y487-S490 PolarHBondContact O-N 3.29Å; Y487-S490 PolarHBondContact O-OG 3.33Å; L488-S490 VanDerWaalsContact C-N 3.29Å; L488-S490 PolarHBondContact O-N 2.82Å
491	Q	45.3	Very low	45.4	Very low	89 Å²	89	88.4 Å²	88.4	42%	0.416	46%	0.459	S	S	.	.	H	α-helix	trans	-71.8	-51	178.2	-70.8	-72.3	-33.9	0	0	111	Y487 L488 S489 N493 K494 T495	Y487-Q491 HydrophobicContact CD1-CG 4.34Å; Y487-Q491 HydrophobicContact CE1-CG 3.86Å; Y487-Q491 PolarHBondContact O-N 3.12Å; Y487-Q491 PolarHBondContact OH-NE2 3.09Å; L488-Q491 PolarHBondContact O-N 2.8Å; S489-Q491 VanDerWaalsContact C-N 3.33Å; S489-Q491 PolarHBondContact O-N 2.83Å; Q491-N493 PolarHBondContact O-N 3.31Å; Q491-N493 VanDerWaalsContact O-N 3.16Å; Q491-K494 PolarHBondContact O-N 2.79Å; Q491-T495 PolarHBondContact O-OG1 3.01Å
492	N	38.8	Very low	45.6	Very low	92 Å²	92	88 Å²	88	49%	0.492	46%	0.457	S	S	.	.	H	α-helix	trans	-56.7	-34.9	-178.1	-76.2	-6.2	0	0	0	112.7	L488	L488-N492 PolarHBondContact O-N 3.04Å
493	N	40	Very low	45.7	Very low	133 Å²	133	92 Å²	92	71%	0.711	47%	0.472	S	S	*	.	H	α-helix	trans	-76.4	-18.7	-180	-73.3	-18	0	0	0	114.5	S489 Q491	S489-N493 PolarHBondContact O-N 3.38Å; Q491-N493 PolarHBondContact O-N 3.31Å; Q491-N493 VanDerWaalsContact O-N 3.16Å
494	K	40.3	Very low	46	Very low	125 Å²	125	97.2 Å²	97.2	54%	0.543	50%	0.495	S	S	.	.	H	α-helix	trans	-98.5	-13.4	-175.5	-75.1	178.4	177.5	171.4	0	114.6	F406 N407 Q491	F406-K494 PolarHBondContact O-NZ 3.42Å; N407-K494 PolarHBondContact OD1-NZ 3.15Å; Q491-K494 PolarHBondContact O-N 2.79Å
495	T	37.4	Very low	46.4	Very low	68 Å²	68	96.3 Å²	96.3	42%	0.417	49%	0.489	S	S	.	.			trans	-118.3	59	-172.3	56	0	0	0	0	115.6	Q491 K497	Q491-T495 PolarHBondContact O-OG1 3.01Å; T495-K497 PolarHBondContact O-N 3.48Å
496	K	35.9	Very low	47.1	Very low	207 Å²	207	92.1 Å²	92.1	90%	0.9	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	2	179.1	-81.8	-170.6	174.9	-177.7	0	117.6
497	K	33	Very low	48.1	Very low	206 Å²	206	89 Å²	89	90%	0.896	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.3	0.3	-172.4	-83.1	-164.9	173.7	-176.1	0	118.4	T495	T495-K497 PolarHBondContact O-N 3.48Å
498	T	35.6	Very low	49.2	Very low	79 Å²	79	92.7 Å²	92.7	49%	0.485	46%	0.46	S	S	.	.	S	Bend	trans	-142.5	121.1	174.7	52.6	0	0	0	0	111.8
499	S	42	Very low	50.2	Low	69 Å²	69	92.9 Å²	92.9	48%	0.483	46%	0.46	S	S	.	.			trans	42.5	96.7	173	59.3	0	0	0	0	114.6	I501	S499-I501 PolarHBondContact O-N 2.86Å
500	I	42.9	Very low	51.6	Low	167 Å²	167	90 Å²	90	86%	0.856	44%	0.44	S	S	*	.			trans	-56.4	109	154.6	-61.5	169.2	0	0	0	105.6	D502	I500-D502 PolarHBondContact O-N 3.04Å
501	I	51.6	Low	53	Low	52 Å²	52	91 Å²	91	27%	0.267	44%	0.444	S	S	.	.			trans	-71.8	113.8	164.9	-67.1	177.7	0	0	0	104.5	I437 S499 Y503 Y506	I437-I501 HydrophobicContact CD1-CD1 4.46Å; I437-I501 HydrophobicContact CD1-CG2 3.73Å; I437-I501 HydrophobicContact CG2-CG1 4.42Å; S499-I501 PolarHBondContact O-N 2.86Å; I501-Y503 PolarHBondContact O-N 2.93Å; I501-Y503 VanDerWaalsContact O-N 3.11Å; I501-Y506 HydrophobicContact CG2-CD2 4.45Å
502	D	59.6	Low	54.5	Low	82 Å²	82	88.6 Å²	88.6	44%	0.439	43%	0.432	S	S	.	.			trans	-56.7	121.9	176	-179.4	-7.8	0	0	0	108.4	I500 H504 Q505 Y506	I500-D502 PolarHBondContact O-N 3.04Å; D502-H504 PolarHBondContact O-N 3.37Å; D502-H504 WeakPolarHBondContact OD1-CB 3.47Å; D502-H504 IonicContact OD1-CD2 2.66Å; D502-H504 PolarHBondContact OD1-CD2 3.33Å; D502-H504 IonicContact OD1-CG 2.86Å; D502-H504 PolarHBondContact OD1-N 3.48Å; D502-Q505 HydrophobicContact CB-CB 3.9Å; D502-Q505 WeakPolarHBondContact O-CA 3.36Å; D502-Q505 WeakPolarHBondContact O-CB 3.39Å; D502-Q505 PolarHBondContact O-N 2.88Å; D502-Y506 PolarHBondContact O-N 3.47Å
503	Y	59.5	Low	56	Low	94 Å²	94	84.3 Å²	84.3	37%	0.369	41%	0.408	S	S	.	.	H	α-helix	trans	-56.3	-36.8	-177.7	178.7	-110.7	0	0	0	111.1	L488 I501 L507	L488-Y503 HydrophobicContact CD1-CE2 4.34Å; I501-Y503 PolarHBondContact O-N 2.93Å; I501-Y503 VanDerWaalsContact O-N 3.11Å; Y503-L507 HydrophobicContact CD1-CD1 3.89Å; Y503-L507 HydrophobicContact CE1-CD1 3.43Å; Y503-L507 VanDerWaalsContact CE1-CD1 3.43Å; Y503-L507 HydrophobicContact CE1-CG 4.39Å; Y503-L507 HydrophobicContact CE2-CD1 4.16Å; Y503-L507 HydrophobicContact CE2-CG 4.33Å; Y503-L507 HydrophobicContact CG-CD1 4.44Å; Y503-L507 WeakPolarHBondContact O-CB 3.49Å; Y503-L507 WeakPolarHBondContact O-CG 3.31Å; Y503-L507 PolarHBondContact O-N 3.19Å
504	H	64.8	Low	57.7	Low	136 Å²	136	78.1 Å²	78.1	63%	0.63	38%	0.375	S	S	*	.	H	α-helix	trans	-68.2	-40.3	175.5	-61	-77.3	0	0	0	111.7	D502 Y508	D502-H504 PolarHBondContact O-N 3.37Å; D502-H504 WeakPolarHBondContact OD1-CB 3.47Å; D502-H504 IonicContact OD1-CD2 2.66Å; D502-H504 PolarHBondContact OD1-CD2 3.33Å; D502-H504 IonicContact OD1-CG 2.86Å; D502-H504 PolarHBondContact OD1-N 3.48Å; H504-Y508 WeakPolarHBondContact O-CB 3.46Å; H504-Y508 PolarHBondContact O-N 3.5Å
505	Q	65.3	Low	59.1	Low	59 Å²	59	75.3 Å²	75.3	28%	0.276	37%	0.366	S	S	.	.	H	α-helix	trans	-67	-40	176.4	-168.1	-175.6	30.6	0	0	112.1	D502 Y509	D502-Q505 HydrophobicContact CB-CB 3.9Å; D502-Q505 WeakPolarHBondContact O-CA 3.36Å; D502-Q505 WeakPolarHBondContact O-CB 3.39Å; D502-Q505 PolarHBondContact O-N 2.88Å; Q505-Y509 HydrophobicContact CG-CD2 4.01Å; Q505-Y509 HydrophobicContact CG-CE2 3.48Å; Q505-Y509 VanDerWaalsContact CG-CE2 3.48Å; Q505-Y509 PolarHBondContact NE2-OH 2.85Å; Q505-Y509 WeakPolarHBondContact O-CD2 3.34Å; Q505-Y509 PolarHBondContact O-N 3.29Å; Q505-Y509 VanDerWaalsContact O-N 3.09Å
506	Y	65.4	Low	60.7	Low	15 Å²	15	74.9 Å²	74.9	6%	0.059	36%	0.359	C	S	.	.	H	α-helix	trans	-62.1	-52.8	173.7	179.5	-82.6	0	0	0	111.2	N430 V433 I437 L488 I501 D502 Y508 Y509 F510	N430-Y506 WeakPolarHBondContact CB-OH 3.43Å; N430-Y506 PolarHBondContact OD1-OH 3.5Å; V433-Y506 HydrophobicContact CB-CD2 4.35Å; V433-Y506 HydrophobicContact CB-CE2 4.13Å; V433-Y506 HydrophobicContact CG1-CD2 3.36Å; V433-Y506 HydrophobicContact CG1-CE2 3.62Å; V433-Y506 HydrophobicContact CG1-CG 3.97Å; I437-Y506 HydrophobicContact CD1-CD2 4.49Å; L488-Y506 HydrophobicContact CD1-CD1 4.3Å; L488-Y506 HydrophobicContact CD1-CE1 3.98Å; L488-Y506 HydrophobicContact CD2-CD1 3.8Å; L488-Y506 HydrophobicContact CD2-CD2 4.43Å; L488-Y506 HydrophobicContact CD2-CE1 3.43Å; L488-Y506 VanDerWaalsContact CD2-CE1 3.43Å; L488-Y506 HydrophobicContact CD2-CE2 4.1Å; L488-Y506 HydrophobicContact CD2-CG 4.31Å; L488-Y506 HydrophobicContact CG-CE1 4.32Å; I501-Y506 HydrophobicContact CG2-CD2 4.45Å; D502-Y506 PolarHBondContact O-N 3.47Å; Y506-Y508 VanDerWaalsContact C-N 3.3Å; Y506-Y508 PolarHBondContact O-N 3.11Å; Y506-Y509 PolarHBondContact O-N 2.96Å; Y506-F510 HydrophobicContact CE1-CB 4.19Å; Y506-F510 AromaticContact CE1-CD2 3.66Å; Y506-F510 HydrophobicContact CE1-CD2 3.66Å; Y506-F510 HydrophobicContact CE1-CE2 4.43Å; Y506-F510 HydrophobicContact CE1-CG 4.25Å; Y506-F510 AromaticContact CZ-CD2 3.67Å; Y506-F510 WeakPolarHBondContact O-CB 3.31Å; Y506-F510 PolarHBondContact O-N 3.09Å; Y506-F510 VanDerWaalsContact OH-CD2 3.29Å; Y506-F510 WeakPolarHBondContact OH-CD2 3.34Å; Y506-F510 WeakPolarHBondContact OH-CE2 3.24Å
507	L	69.7	Low	62.2	Low	35 Å²	35	65 Å²	65	18%	0.183	32%	0.316	C	S	.	.	H	α-helix	trans	-59.3	-42.5	179.5	-75	176.8	0	0	0	111.4	F479 L483 Y503 F510 T511	F479-L507 HydrophobicContact CZ-CD2 4Å; L483-L507 HydrophobicContact CD1-CD2 3.7Å; L483-L507 HydrophobicContact CD2-CD2 4.02Å; Y503-L507 HydrophobicContact CD1-CD1 3.89Å; Y503-L507 HydrophobicContact CE1-CD1 3.43Å; Y503-L507 VanDerWaalsContact CE1-CD1 3.43Å; Y503-L507 HydrophobicContact CE1-CG 4.39Å; Y503-L507 HydrophobicContact CE2-CD1 4.16Å; Y503-L507 HydrophobicContact CE2-CG 4.33Å; Y503-L507 HydrophobicContact CG-CD1 4.44Å; Y503-L507 WeakPolarHBondContact O-CB 3.49Å; Y503-L507 WeakPolarHBondContact O-CG 3.31Å; Y503-L507 PolarHBondContact O-N 3.19Å; L507-F510 PolarHBondContact O-N 2.93Å; L507-T511 WeakPolarHBondContact O-CB 3.43Å; L507-T511 PolarHBondContact O-N 3.18Å; L507-T511 PolarHBondContact O-OG1 3.38Å
508	Y	72.3	Confident	63.9	Low	127 Å²	127	56.3 Å²	56.3	50%	0.498	28%	0.279	S	S	.	.	H	α-helix	trans	-56.4	-52.6	175.9	176.6	-91.2	0	0	0	111.9	H504 Y506 F510 T511 Y512	H504-Y508 WeakPolarHBondContact O-CB 3.46Å; H504-Y508 PolarHBondContact O-N 3.5Å; Y506-Y508 VanDerWaalsContact C-N 3.3Å; Y506-Y508 PolarHBondContact O-N 3.11Å; Y508-F510 PolarHBondContact O-N 3.45Å; Y508-T511 PolarHBondContact O-N 2.89Å; Y508-Y512 VanDerWaalsContact O-CB 3.26Å; Y508-Y512 WeakPolarHBondContact O-CB 3.44Å; Y508-Y512 PolarHBondContact O-N 2.81Å
509	Y	68.8	Low	65.4	Low	22 Å²	22	59 Å²	59	9%	0.086	28%	0.284	C	S	.	.	H	α-helix	trans	-67.8	-36.1	179	-66.1	-40.9	0	0	0	112.6	N436 I437 N440 Q505 Y506 Y512 Y513 I600	N436-Y509 WeakPolarHBondContact ND2-CD1 3.39Å; N436-Y509 WeakPolarHBondContact ND2-CE1 3.15Å; N436-Y509 VanDerWaalsContact ND2-CE2 3.33Å; N436-Y509 WeakPolarHBondContact ND2-CE2 3.36Å; I437-Y509 HydrophobicContact CD1-CD2 4.25Å; I437-Y509 HydrophobicContact CG1-CD2 3.68Å; I437-Y509 HydrophobicContact CG1-CE2 3.76Å; N440-Y509 PolarHBondContact ND2-OH 3.14Å; N440-Y509 VanDerWaalsContact ND2-OH 3.09Å; Q505-Y509 HydrophobicContact CG-CD2 4.01Å; Q505-Y509 HydrophobicContact CG-CE2 3.48Å; Q505-Y509 VanDerWaalsContact CG-CE2 3.48Å; Q505-Y509 PolarHBondContact NE2-OH 2.85Å; Q505-Y509 WeakPolarHBondContact O-CD2 3.34Å; Q505-Y509 PolarHBondContact O-N 3.29Å; Q505-Y509 VanDerWaalsContact O-N 3.09Å; Y506-Y509 PolarHBondContact O-N 2.96Å; Y509-Y512 PolarHBondContact O-N 3.31Å; Y509-Y513 WeakPolarHBondContact O-CD2 3.41Å; Y509-Y513 PolarHBondContact O-N 3.43Å; Y509-I600 HydrophobicContact CD1-CD1 4Å; Y509-I600 HydrophobicContact CE1-CD1 3.7Å
510	F	71.9	Confident	66.4	Low	4 Å²	4	56.7 Å²	56.7	2%	0.018	27%	0.266	C	S	.	.	H	α-helix	trans	-63.4	-46.1	177.1	-160.4	-73.7	0	0	0	110.5	I429 N430 V433 F479 I482 Y506 L507 Y508 Y513 H514	I429-F510 HydrophobicContact CB-CD1 4.42Å; I429-F510 HydrophobicContact CB-CD2 4.16Å; I429-F510 HydrophobicContact CB-CE1 4.16Å; I429-F510 HydrophobicContact CB-CE2 3.87Å; I429-F510 HydrophobicContact CB-CG 4.45Å; I429-F510 HydrophobicContact CB-CZ 3.88Å; I429-F510 HydrophobicContact CD1-CD1 4.43Å; I429-F510 HydrophobicContact CD1-CE1 3.84Å; I429-F510 HydrophobicContact CD1-CZ 4.11Å; I429-F510 HydrophobicContact CG2-CB 4.15Å; I429-F510 HydrophobicContact CG2-CD1 3.62Å; I429-F510 HydrophobicContact CG2-CD2 3.5Å; I429-F510 HydrophobicContact CG2-CE1 3.86Å; I429-F510 HydrophobicContact CG2-CE2 3.74Å; I429-F510 HydrophobicContact CG2-CG 3.46Å; I429-F510 VanDerWaalsContact CG2-CG 3.46Å; I429-F510 HydrophobicContact CG2-CZ 3.93Å; N430-F510 HydrophobicContact CB-CE2 4.15Å; V433-F510 VanDerWaalsContact CG2-CA 3.48Å; V433-F510 HydrophobicContact CG2-CB 3.9Å; V433-F510 HydrophobicContact CG2-CD2 4.23Å; V433-F510 HydrophobicContact CG2-CG 4.44Å; V433-F510 VanDerWaalsContact CG2-N 3.31Å; F479-F510 HydrophobicContact CD2-CD1 4.1Å; F479-F510 HydrophobicContact CE2-CB 4.34Å; F479-F510 AromaticContact CE2-CD1 3.57Å; F479-F510 HydrophobicContact CE2-CD1 3.57Å; F479-F510 HydrophobicContact CE2-CE1 4.33Å; F479-F510 HydrophobicContact CE2-CG 4.35Å; F479-F510 HydrophobicContact CZ-CD1 4.42Å; I482-F510 HydrophobicContact CD1-CE1 3.89Å; I482-F510 HydrophobicContact CG1-CE1 4.07Å; Y506-F510 HydrophobicContact CE1-CB 4.19Å; Y506-F510 AromaticContact CE1-CD2 3.66Å; Y506-F510 HydrophobicContact CE1-CD2 3.66Å; Y506-F510 HydrophobicContact CE1-CE2 4.43Å; Y506-F510 HydrophobicContact CE1-CG 4.25Å; Y506-F510 AromaticContact CZ-CD2 3.67Å; Y506-F510 WeakPolarHBondContact O-CB 3.31Å; Y506-F510 PolarHBondContact O-N 3.09Å; Y506-F510 VanDerWaalsContact OH-CD2 3.29Å; Y506-F510 WeakPolarHBondContact OH-CD2 3.34Å; Y506-F510 WeakPolarHBondContact OH-CE2 3.24Å; L507-F510 PolarHBondContact O-N 2.93Å; Y508-F510 PolarHBondContact O-N 3.45Å; F510-Y513 PolarHBondContact O-N 2.95Å; F510-H514 VanDerWaalsContact O-CB 3.27Å; F510-H514 WeakPolarHBondContact O-CB 3.47Å; F510-H514 PolarHBondContact O-N 2.87Å
511	T	74.1	Confident	67.3	Low	50 Å²	50	49.5 Å²	49.5	31%	0.307	23%	0.229	S	C	.	.	H	α-helix	trans	-62.2	-42.7	176.3	-56	0	0	0	0	111	F479 L507 Y508 N515	F479-T511 WeakPolarHBondContact CE2-OG1 3.37Å; F479-T511 WeakPolarHBondContact CZ-OG1 3.33Å; L507-T511 WeakPolarHBondContact O-CB 3.43Å; L507-T511 PolarHBondContact O-N 3.18Å; L507-T511 PolarHBondContact O-OG1 3.38Å; Y508-T511 PolarHBondContact O-N 2.89Å; T511-N515 VanDerWaalsContact CG2-ND2 3.34Å; T511-N515 WeakPolarHBondContact CG2-ND2 3.43Å; T511-N515 VanDerWaalsContact O-CB 3.23Å; T511-N515 WeakPolarHBondContact O-CB 3.25Å; T511-N515 PolarHBondContact O-N 3.08Å; T511-N515 PolarHBondContact O-ND2 2.66Å
512	Y	75.7	Confident	67.5	Low	39 Å²	39	53 Å²	53	15%	0.153	25%	0.248	C	C	.	.	H	α-helix	trans	-61.5	-50.4	176.8	172.2	-97.8	0	0	0	112.1	Y508 Y509 K516 Q599 I600	Y508-Y512 VanDerWaalsContact O-CB 3.26Å; Y508-Y512 WeakPolarHBondContact O-CB 3.44Å; Y508-Y512 PolarHBondContact O-N 2.81Å; Y509-Y512 PolarHBondContact O-N 3.31Å; Y512-K516 HydrophobicContact CD2-CG 4.47Å; Y512-K516 HydrophobicContact CE1-CG 4.27Å; Y512-K516 HydrophobicContact CE2-CD 4.43Å; Y512-K516 VanDerWaalsContact CE2-CE 3.48Å; Y512-K516 HydrophobicContact CE2-CG 4.2Å; Y512-K516 VanDerWaalsContact CZ-CE 3.48Å; Y512-K516 WeakPolarHBondContact O-CB 3.22Å; Y512-K516 WeakPolarHBondContact O-CG 3.43Å; Y512-K516 PolarHBondContact O-N 3.35Å; Y512-K516 VanDerWaalsContact OH-CE 3.26Å; Y512-K516 WeakPolarHBondContact OH-CE 3.46Å; Y512-K516 PolarHBondContact OH-NZ 2.82Å; Y512-Q599 PolarHBondContact OH-O 3Å; Y512-I600 HydrophobicContact CD1-CG1 4.36Å; Y512-I600 HydrophobicContact CE1-CD1 4.47Å; Y512-I600 HydrophobicContact CE1-CG1 3.73Å
513	Y	70.6	Confident	67	Low	1 Å²	1	57.3 Å²	57.3	0%	0.004	26%	0.263	C	S	.	.	H	α-helix	trans	-66.9	-43.9	179.2	-74.4	-55.9	0	0	0	112.1	L432 V433 N436 Y509 F510 N515 K516 F517 L597	L432-Y513 HydrophobicContact CB-CD1 4.42Å; L432-Y513 HydrophobicContact CB-CD2 3.73Å; L432-Y513 HydrophobicContact CB-CE2 3.81Å; L432-Y513 HydrophobicContact CB-CG 4.07Å; L432-Y513 HydrophobicContact CD1-CD1 4.22Å; L432-Y513 HydrophobicContact CD1-CG 4.23Å; L432-Y513 HydrophobicContact CD2-CE1 4.39Å; V433-Y513 HydrophobicContact CG2-CD2 3.93Å; V433-Y513 HydrophobicContact CG2-CE2 4.39Å; N436-Y513 HydrophobicContact CB-CE2 4.25Å; N436-Y513 WeakPolarHBondContact CB-OH 3.07Å; N436-Y513 PolarHBondContact OD1-OH 3.14Å; Y509-Y513 WeakPolarHBondContact O-CD2 3.41Å; Y509-Y513 PolarHBondContact O-N 3.43Å; F510-Y513 PolarHBondContact O-N 2.95Å; Y513-N515 PolarHBondContact O-N 3.38Å; Y513-K516 PolarHBondContact O-N 3.11Å; Y513-F517 WeakPolarHBondContact O-CD2 3.34Å; Y513-F517 PolarHBondContact O-N 3.04Å; Y513-L597 HydrophobicContact CD1-CD2 4.31Å
514	H	74.8	Confident	66.5	Low	4 Å²	4	55.7 Å²	55.7	2%	0.019	26%	0.259	C	S	.	.	H	α-helix	trans	-55.8	-52.8	175	174.9	52.9	0	0	0	111.5	Y425 I429 F479 I482 F510 K516 F517 L518	Y425-H514 AromaticContact CE1-ND1 3.57Å; Y425-H514 AromaticContact CZ-ND1 3.7Å; Y425-H514 PolarHBondContact OH-ND1 2.93Å; I429-H514 HydrophobicContact CD1-CB 4.04Å; F479-H514 AromaticContact CD2-CD2 3.98Å; F479-H514 PolarHBondContact N-NE2 3.39Å; I482-H514 HydrophobicContact CD1-CB 4.48Å; I482-H514 WeakPolarHBondContact CD1-ND1 3.26Å; F510-H514 VanDerWaalsContact O-CB 3.27Å; F510-H514 WeakPolarHBondContact O-CB 3.47Å; F510-H514 PolarHBondContact O-N 2.87Å; H514-K516 VanDerWaalsContact C-N 3.3Å; H514-K516 PolarHBondContact O-N 3.1Å; H514-F517 PolarHBondContact O-N 2.89Å; H514-L518 PolarHBondContact O-N 3.25Å
515	N	71.3	Confident	65.4	Low	65 Å²	65	52.7 Å²	52.7	35%	0.348	25%	0.252	S	S	.	.	H	α-helix	trans	-63.2	-31.7	177.4	-79.5	-55.1	0	0	0	113.5	T511 Y513 K519	T511-N515 VanDerWaalsContact CG2-ND2 3.34Å; T511-N515 WeakPolarHBondContact CG2-ND2 3.43Å; T511-N515 VanDerWaalsContact O-CB 3.23Å; T511-N515 WeakPolarHBondContact O-CB 3.25Å; T511-N515 PolarHBondContact O-N 3.08Å; T511-N515 PolarHBondContact O-ND2 2.66Å; Y513-N515 PolarHBondContact O-N 3.38Å; N515-K519 VanDerWaalsContact O-CB 3.27Å; N515-K519 WeakPolarHBondContact O-CB 3.4Å; N515-K519 WeakPolarHBondContact O-CD 3.23Å; N515-K519 WeakPolarHBondContact O-CG 3.4Å; N515-K519 PolarHBondContact O-N 2.82Å
516	K	69.4	Low	64.2	Low	59 Å²	59	54 Å²	54	26%	0.257	26%	0.256	S	S	.	.	H	α-helix	trans	-69.6	-42.4	173.6	-76.4	-99.9	176.8	142.2	0	111.7	Y512 Y513 H514 K519 I520 A596 L597	Y512-K516 HydrophobicContact CD2-CG 4.47Å; Y512-K516 HydrophobicContact CE1-CG 4.27Å; Y512-K516 HydrophobicContact CE2-CD 4.43Å; Y512-K516 VanDerWaalsContact CE2-CE 3.48Å; Y512-K516 HydrophobicContact CE2-CG 4.2Å; Y512-K516 VanDerWaalsContact CZ-CE 3.48Å; Y512-K516 WeakPolarHBondContact O-CB 3.22Å; Y512-K516 WeakPolarHBondContact O-CG 3.43Å; Y512-K516 PolarHBondContact O-N 3.35Å; Y512-K516 VanDerWaalsContact OH-CE 3.26Å; Y512-K516 WeakPolarHBondContact OH-CE 3.46Å; Y512-K516 PolarHBondContact OH-NZ 2.82Å; Y513-K516 PolarHBondContact O-N 3.11Å; H514-K516 VanDerWaalsContact C-N 3.3Å; H514-K516 PolarHBondContact O-N 3.1Å; K516-K519 PolarHBondContact O-N 3.39Å; K516-I520 WeakPolarHBondContact O-CD1 3.33Å; K516-I520 VanDerWaalsContact O-CG1 3.29Å; K516-I520 WeakPolarHBondContact O-CG1 3.36Å; K516-I520 PolarHBondContact O-N 2.82Å; K516-A596 PolarHBondContact NZ-O 2.78Å; K516-L597 HydrophobicContact CB-CD2 3.53Å; K516-L597 HydrophobicContact CD-CD2 4.45Å; K516-L597 HydrophobicContact CG-CD2 4.31Å
517	F	68.1	Low	62.7	Low	1 Å²	1	56.8 Å²	56.8	0%	0.004	28%	0.278	C	S	.	.	H	α-helix	trans	-62.5	-48.7	174.9	-91.4	-107.8	0	0	0	111.4	Y425 L428 L432 I461 F464 F465 L475 Y513 H514 K519 I520 I521 L597	Y425-F517 HydrophobicContact CE2-CB 4.24Å; Y425-F517 HydrophobicContact CE2-CD1 4.01Å; Y425-F517 HydrophobicContact CE2-CG 4.16Å; Y425-F517 WeakPolarHBondContact OH-CB 3.34Å; L428-F517 HydrophobicContact CD2-CE1 4.18Å; L428-F517 HydrophobicContact CD2-CZ 4.18Å; L432-F517 HydrophobicContact CD1-CE2 3.74Å; L432-F517 HydrophobicContact CD1-CZ 4.16Å; I461-F517 HydrophobicContact CG2-CZ 4.24Å; F464-F517 HydrophobicContact CD1-CE1 4.08Å; F464-F517 HydrophobicContact CE1-CD1 4.43Å; F464-F517 HydrophobicContact CE1-CE1 4.12Å; F465-F517 AromaticContact CE1-CD1 3.76Å; F465-F517 HydrophobicContact CE1-CD1 3.76Å; F465-F517 AromaticContact CE1-CE1 3.89Å; F465-F517 HydrophobicContact CE1-CE1 3.89Å; F465-F517 AromaticContact CE2-CE1 3.93Å; F465-F517 HydrophobicContact CE2-CE1 3.93Å; F465-F517 HydrophobicContact CE2-CZ 4.22Å; F465-F517 AromaticContact CZ-CD1 3.62Å; F465-F517 HydrophobicContact CZ-CD1 3.62Å; F465-F517 AromaticContact CZ-CE1 3.46Å; F465-F517 HydrophobicContact CZ-CE1 3.46Å; F465-F517 VanDerWaalsContact CZ-CE1 3.46Å; F465-F517 HydrophobicContact CZ-CG 4.27Å; F465-F517 AromaticContact CZ-CZ 3.99Å; F465-F517 HydrophobicContact CZ-CZ 3.99Å; L475-F517 HydrophobicContact CD1-CB 4.08Å; Y513-F517 WeakPolarHBondContact O-CD2 3.34Å; Y513-F517 PolarHBondContact O-N 3.04Å; H514-F517 PolarHBondContact O-N 2.89Å; F517-K519 VanDerWaalsContact C-N 3.31Å; F517-K519 PolarHBondContact O-N 3.32Å; F517-I520 PolarHBondContact O-N 3.37Å; F517-I520 VanDerWaalsContact O-N 3.09Å; F517-I521 PolarHBondContact O-N 3.48Å; F517-L597 HydrophobicContact CD2-CD2 4.1Å; F517-L597 HydrophobicContact CE2-CD1 4.4Å; F517-L597 HydrophobicContact CE2-CD2 4.08Å
518	L	69.4	Low	61	Low	23 Å²	23	59.7 Å²	59.7	12%	0.12	29%	0.293	C	S	.	.	H	α-helix	trans	-56.2	-44	173.1	-70	178.5	0	0	0	111.7	L475 H514 I520 I521 N522	L475-L518 HydrophobicContact CB-CD2 4.33Å; L475-L518 HydrophobicContact CD1-CD2 4.18Å; H514-L518 PolarHBondContact O-N 3.25Å; L518-I520 VanDerWaalsContact C-N 3.33Å; L518-I520 PolarHBondContact O-N 3.02Å; L518-I521 PolarHBondContact O-N 2.79Å; L518-N522 VanDerWaalsContact O-CB 3.26Å; L518-N522 WeakPolarHBondContact O-CB 3.34Å; L518-N522 VanDerWaalsContact O-CG 3.24Å; L518-N522 PolarHBondContact O-N 3.29Å; L518-N522 PolarHBondContact O-OD1 3.45Å
519	K	66.4	Low	59.4	Low	134 Å²	134	55.1 Å²	55.1	58%	0.583	28%	0.276	S	S	*	.	H	α-helix	trans	-65.6	-29.3	176.3	-76	169.6	-171.6	179	0	114	N515 K516 F517 K523	N515-K519 VanDerWaalsContact O-CB 3.27Å; N515-K519 WeakPolarHBondContact O-CB 3.4Å; N515-K519 WeakPolarHBondContact O-CD 3.23Å; N515-K519 WeakPolarHBondContact O-CG 3.4Å; N515-K519 PolarHBondContact O-N 2.82Å; K516-K519 PolarHBondContact O-N 3.39Å; F517-K519 VanDerWaalsContact C-N 3.31Å; F517-K519 PolarHBondContact O-N 3.32Å; K519-K523 WeakPolarHBondContact O-CB 3.31Å; K519-K523 WeakPolarHBondContact O-CD 3.46Å; K519-K523 WeakPolarHBondContact O-CG 3.27Å; K519-K523 PolarHBondContact O-N 3.47Å
520	I	62.7	Low	57.9	Low	21 Å²	21	56.3 Å²	56.3	11%	0.108	29%	0.286	C	S	.	.	H	α-helix	trans	-74.3	-39.8	176.3	-75.4	163.5	0	0	0	110.7	F465 Y469 K516 F517 L518 L597	F465-I520 HydrophobicContact CE1-CB 4.48Å; F465-I520 HydrophobicContact CE1-CG2 3.71Å; F465-I520 HydrophobicContact CZ-CD1 4.28Å; F465-I520 HydrophobicContact CZ-CG2 3.85Å; Y469-I520 VanDerWaalsContact OH-CG2 3.29Å; Y469-I520 WeakPolarHBondContact OH-CG2 3.07Å; Y469-I520 PolarHBondContact OH-O 3.3Å; K516-I520 WeakPolarHBondContact O-CD1 3.33Å; K516-I520 VanDerWaalsContact O-CG1 3.29Å; K516-I520 WeakPolarHBondContact O-CG1 3.36Å; K516-I520 PolarHBondContact O-N 2.82Å; F517-I520 PolarHBondContact O-N 3.37Å; F517-I520 VanDerWaalsContact O-N 3.09Å; L518-I520 VanDerWaalsContact C-N 3.33Å; L518-I520 PolarHBondContact O-N 3.02Å; I520-L597 HydrophobicContact CD1-CD1 3.76Å; I520-L597 HydrophobicContact CD1-CD2 4.07Å; I520-L597 HydrophobicContact CD1-CG 3.9Å
521	I	61.4	Low	56.1	Low	16 Å²	16	60.7 Å²	60.7	8%	0.082	31%	0.306	C	S	.	.	H	α-helix	trans	-77.8	-42.3	-178.8	-72.5	149.5	0	0	0	111.7	F465 I468 Y469 L475 F517 L518 K523	F465-I521 HydrophobicContact CD1-CD1 4.39Å; F465-I521 HydrophobicContact CD1-CG1 4.45Å; F465-I521 HydrophobicContact CE1-CD1 4.03Å; F465-I521 HydrophobicContact CE1-CG1 4.21Å; I468-I521 HydrophobicContact CD1-CD1 3.83Å; I468-I521 HydrophobicContact CG2-CD1 3.83Å; I468-I521 HydrophobicContact CG2-CG1 4.1Å; I468-I521 HydrophobicContact CG2-CG2 4.39Å; Y469-I521 HydrophobicContact CE1-CG1 4.17Å; L475-I521 HydrophobicContact CD1-CD1 3.31Å; L475-I521 HydrophobicContact CG-CD1 3.87Å; F517-I521 PolarHBondContact O-N 3.48Å; L518-I521 PolarHBondContact O-N 2.79Å; I521-K523 VanDerWaalsContact C-N 3.34Å; I521-K523 PolarHBondContact O-N 3.01Å
522	N	56.4	Low	54.1	Low	125 Å²	125	61.4 Å²	61.4	67%	0.668	31%	0.312	S	S	*	.	H	α-helix	trans	-78.3	-14.8	-177.1	-62.6	3	0	0	0	113.5	L518	L518-N522 VanDerWaalsContact O-CB 3.26Å; L518-N522 WeakPolarHBondContact O-CB 3.34Å; L518-N522 VanDerWaalsContact O-CG 3.24Å; L518-N522 PolarHBondContact O-N 3.29Å; L518-N522 PolarHBondContact O-OD1 3.45Å
523	K	49.6	Very low	52.3	Low	174 Å²	174	60.3 Å²	60.3	76%	0.757	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-14.2	178.2	-89.4	-175.2	173.8	-164.6	0	115.1	K519 I521	K519-K523 WeakPolarHBondContact O-CB 3.31Å; K519-K523 WeakPolarHBondContact O-CD 3.46Å; K519-K523 WeakPolarHBondContact O-CG 3.27Å; K519-K523 PolarHBondContact O-N 3.47Å; I521-K523 VanDerWaalsContact C-N 3.34Å; I521-K523 PolarHBondContact O-N 3.01Å
524	Q	48.7	Very low	50.7	Low	60 Å²	60	63.4 Å²	63.4	28%	0.28	32%	0.32	S	S	.	.	S	Bend	trans	-115.5	121.1	175.1	-58.6	-169.2	24.8	0	0	107.2	F526	Q524-F526 PolarHBondContact O-N 3.45Å; Q524-F526 VanDerWaalsContact O-N 3.08Å
525	P	42	Very low	48.7	Very low	73 Å²	73	67.3 Å²	67.3	47%	0.474	34%	0.34	S	S	.	.			trans	-58.6	121.9	-178.1	-20.7	30.4	0	0	0	109.2	S527 L528 F529	P525-S527 PolarHBondContact O-N 3.47Å; P525-S527 VanDerWaalsContact O-N 3.14Å; P525-L528 HydrophobicContact CB-CB 3.86Å; P525-L528 HydrophobicContact CG-CB 4.15Å; P525-L528 CarbonylContact O-C 3.48Å; P525-L528 WeakPolarHBondContact O-CA 3.3Å; P525-L528 PolarHBondContact O-N 3.14Å; P525-F529 PolarHBondContact O-N 2.82Å
526	F	39	Very low	46.8	Very low	86 Å²	86	67.1 Å²	67.1	38%	0.377	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-33.9	-176.8	-153.1	-86.4	0	0	0	111	I468 Q524 F529 V530	I468-F526 WeakPolarHBondContact O-CZ 3.31Å; Q524-F526 PolarHBondContact O-N 3.45Å; Q524-F526 VanDerWaalsContact O-N 3.08Å; F526-F529 CarbonylContact O-C 3.45Å; F526-V530 HydrophobicContact CD1-CG2 3.94Å; F526-V530 HydrophobicContact CE1-CG2 3.97Å; F526-V530 VanDerWaalsContact O-CB 3.27Å; F526-V530 WeakPolarHBondContact O-CB 3.49Å; F526-V530 WeakPolarHBondContact O-CG2 3.31Å; F526-V530 PolarHBondContact O-N 3Å
527	S	34.6	Very low	45.1	Very low	73 Å²	73	68.7 Å²	68.7	51%	0.51	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-46.5	169	50.8	0	0	0	0	113.4	P525 F529 V530 Q531	P525-S527 PolarHBondContact O-N 3.47Å; P525-S527 VanDerWaalsContact O-N 3.14Å; S527-F529 VanDerWaalsContact C-N 3.34Å; S527-V530 PolarHBondContact O-N 2.64Å; S527-Q531 WeakPolarHBondContact O-CB 3.36Å; S527-Q531 VanDerWaalsContact O-CG 3.22Å; S527-Q531 WeakPolarHBondContact O-CG 3.29Å; S527-Q531 PolarHBondContact O-N 2.96Å
528	L	33.1	Very low	43.5	Very low	96 Å²	96	72.9 Å²	72.9	50%	0.503	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-13	-178.6	-161.1	126.6	0	0	0	113.6	P525 Q531 C532	P525-L528 HydrophobicContact CB-CB 3.86Å; P525-L528 HydrophobicContact CG-CB 4.15Å; P525-L528 CarbonylContact O-C 3.48Å; P525-L528 WeakPolarHBondContact O-CA 3.3Å; P525-L528 PolarHBondContact O-N 3.14Å; L528-Q531 CarbonylContact C-O 3.31Å; L528-Q531 CarbonylContact O-C 3.46Å; L528-C532 WeakPolarHBondContact O-CB 3.44Å
529	F	38.9	Very low	41.7	Very low	31 Å²	31	79.2 Å²	79.2	14%	0.136	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	12.8	166.7	-159.3	-99.8	0	0	0	112.5	Y469 P525 F526 S527 Q531 R533 Y584 M585	Y469-F529 AromaticContact CD1-CD1 3.79Å; Y469-F529 HydrophobicContact CD1-CD1 3.79Å; Y469-F529 HydrophobicContact CD1-CE1 4.01Å; Y469-F529 HydrophobicContact CD2-CE1 4.18Å; Y469-F529 AromaticContact CG-CD1 3.91Å; Y469-F529 HydrophobicContact CG-CD1 3.91Å; Y469-F529 AromaticContact CG-CE1 3.7Å; Y469-F529 HydrophobicContact CG-CE1 3.7Å; P525-F529 PolarHBondContact O-N 2.82Å; F526-F529 CarbonylContact O-C 3.45Å; S527-F529 VanDerWaalsContact C-N 3.34Å; F529-Q531 CarbonylContact C-O 3.43Å; F529-R533 WeakPolarHBondContact O-CD 3.32Å; F529-R533 PolarHBondContact O-NH1 3.3Å; F529-Y584 WeakPolarHBondContact CZ-O 3.38Å; F529-M585 HydrophobicContact CZ-CB 4.22Å; F529-M585 HydrophobicContact CZ-CG 4.17Å
530	V	37.2	Very low	40	Very low	48 Å²	48	78.6 Å²	78.6	29%	0.291	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116	-41	165.4	166.3	0	0	0	0	109.6	F526 S527 R533 Y534 I582	F526-V530 HydrophobicContact CD1-CG2 3.94Å; F526-V530 HydrophobicContact CE1-CG2 3.97Å; F526-V530 VanDerWaalsContact O-CB 3.27Å; F526-V530 WeakPolarHBondContact O-CB 3.49Å; F526-V530 WeakPolarHBondContact O-CG2 3.31Å; F526-V530 PolarHBondContact O-N 3Å; S527-V530 PolarHBondContact O-N 2.64Å; V530-R533 CarbonylContact O-C 3.59Å; V530-R533 VanDerWaalsContact O-C 3.31Å; V530-R533 VanDerWaalsContact O-O 3.07Å; V530-Y534 WeakPolarHBondContact O-CB 3.46Å; V530-I582 HydrophobicContact CG1-CD1 4.05Å
531	Q	34.8	Very low	38.4	Very low	96 Å²	96	80.3 Å²	80.3	45%	0.449	41%	0.413	S	S	.	.	S	Bend	trans	-65.4	175.8	146.1	-55.6	163	4	0	0	110.1	S527 L528 F529 R533 L578	S527-Q531 WeakPolarHBondContact O-CB 3.36Å; S527-Q531 VanDerWaalsContact O-CG 3.22Å; S527-Q531 WeakPolarHBondContact O-CG 3.29Å; S527-Q531 PolarHBondContact O-N 2.96Å; L528-Q531 CarbonylContact C-O 3.31Å; L528-Q531 CarbonylContact O-C 3.46Å; F529-Q531 CarbonylContact C-O 3.43Å; Q531-R533 WeakPolarHBondContact O-CA 3.43Å; Q531-R533 WeakPolarHBondContact O-CB 3.14Å; Q531-R533 PolarHBondContact O-N 3.43Å; Q531-L578 HydrophobicContact CG-CD2 4.46Å
532	C	33.3	Very low	37.2	Very low	64 Å²	64	83.8 Å²	83.8	43%	0.432	44%	0.435	S	S	.	.	S	Bend	trans	59.6	-51.4	-172.3	-67.7	0	0	0	0	114.7	L528 Y534 I535	L528-C532 WeakPolarHBondContact O-CB 3.44Å; C532-Y534 PolarHBondContact O-N 3.27Å; C532-I535 VanDerWaalsContact O-CB 3.31Å; C532-I535 WeakPolarHBondContact O-CB 3.32Å
533	R	37.5	Very low	36.1	Very low	17 Å²	17	86.5 Å²	86.5	6%	0.064	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	33	134.1	-82.7	168	139.2	-145.1	0.3	114.2	Y469 F529 V530 Q531 A581 I582	Y469-R533 PolarHBondContact O-NH1 3.18Å; F529-R533 WeakPolarHBondContact O-CD 3.32Å; F529-R533 PolarHBondContact O-NH1 3.3Å; V530-R533 CarbonylContact O-C 3.59Å; V530-R533 VanDerWaalsContact O-C 3.31Å; V530-R533 VanDerWaalsContact O-O 3.07Å; Q531-R533 WeakPolarHBondContact O-CA 3.43Å; Q531-R533 WeakPolarHBondContact O-CB 3.14Å; Q531-R533 PolarHBondContact O-N 3.43Å; R533-A581 CarbonylContact O-C 3.28Å; R533-A581 VanDerWaalsContact O-CA 3.3Å; R533-A581 WeakPolarHBondContact O-CA 3.45Å; R533-A581 WeakPolarHBondContact O-CB 3.34Å; R533-I582 HydrophobicContact CB-CG1 4.42Å; R533-I582 VanDerWaalsContact O-CA 3.23Å; R533-I582 WeakPolarHBondContact O-CA 3.43Å; R533-I582 VanDerWaalsContact O-CG1 3.23Å; R533-I582 WeakPolarHBondContact O-CG1 3.44Å; R533-I582 PolarHBondContact O-N 3.37Å
534	Y	35.9	Very low	35.5	Very low	65 Å²	65	83.3 Å²	83.3	26%	0.255	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.5	29.1	170.9	-131.8	-145.2	0	0	0	124.9	V530 C532 L574 L578 K579 Q580 I582	V530-Y534 WeakPolarHBondContact O-CB 3.46Å; C532-Y534 PolarHBondContact O-N 3.27Å; Y534-L574 HydrophobicContact CE1-CD1 4.45Å; Y534-L578 WeakPolarHBondContact CD1-O 3.32Å; Y534-L578 WeakPolarHBondContact CE1-O 3.21Å; Y534-L578 CarbonylContact O-C 3.34Å; Y534-L578 WeakPolarHBondContact O-CA 3.33Å; Y534-K579 PolarHBondContact O-N 3.49Å; Y534-Q580 PolarHBondContact O-N 3.4Å; Y534-I582 HydrophobicContact CD2-CD1 4.28Å; Y534-I582 HydrophobicContact CD2-CG1 3.72Å; Y534-I582 HydrophobicContact CE2-CD1 4.25Å; Y534-I582 HydrophobicContact CE2-CG1 4.05Å
535	I	33.1	Very low	34.8	Very low	86 Å²	86	86.8 Å²	86.8	44%	0.441	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	cis	78.4	-121	5.2	-19.8	-169.7	0	0	0	123.4	C532 Y539 Q577 Q580 A581	C532-I535 VanDerWaalsContact O-CB 3.31Å; C532-I535 WeakPolarHBondContact O-CB 3.32Å; I535-Y539 WeakPolarHBondContact O-CD2 3.41Å; I535-Q577 PolarHBondContact N-O 2.96Å; I535-Q580 CarbonylContact C-O 3.01Å; I535-Q580 VanDerWaalsContact C-O 3.28Å; I535-Q580 CarbonylContact O-C 3.37Å; I535-Q580 VanDerWaalsContact O-CB 3.25Å; I535-Q580 WeakPolarHBondContact O-CB 3.43Å; I535-A581 HydrophobicContact CB-CB 4.35Å
536	I	32.5	Very low	34.3	Very low	61 Å²	61	90.3 Å²	90.3	31%	0.313	45%	0.452	S	S	.	.	H	α-helix	trans	-46.2	-74.5	-175.2	-43.8	174.1	0	0	0	121.4	N538 Y539 I540 Q580 A581	I536-N538 VanDerWaalsContact C-N 3.33Å; I536-N538 PolarHBondContact O-N 2.86Å; I536-N538 VanDerWaalsContact O-N 3.08Å; I536-Y539 CarbonylContact O-C 3.03Å; I536-Y539 VanDerWaalsContact O-CA 3.23Å; I536-Y539 WeakPolarHBondContact O-CA 3.32Å; I536-Y539 WeakPolarHBondContact O-CB 3.46Å; I536-Y539 PolarHBondContact O-N 2.91Å; I536-I540 HydrophobicContact CG2-CD1 3.43Å; I536-I540 VanDerWaalsContact CG2-CD1 3.43Å; I536-I540 HydrophobicContact CG2-CG1 3.88Å; I536-I540 PolarHBondContact O-N 2.93Å; I536-Q580 CarbonylContact C-O 3.57Å; I536-A581 HydrophobicContact CB-CB 3.86Å; I536-A581 HydrophobicContact CG1-CB 4.49Å
537	R	32.8	Very low	34.1	Very low	93 Å²	93	95.5 Å²	95.5	35%	0.351	47%	0.474	S	S	.	.	H	α-helix	trans	-43.9	-35.8	-169.8	-169.1	-178.8	-171.8	138.1	3.4	117.4	G380 I382 I540 Q580 A581 I582	G380-R537 PolarHBondContact O-NH2 3Å; G380-R537 VanDerWaalsContact O-NH2 3.11Å; I382-R537 VanDerWaalsContact CG1-NH2 3.27Å; R537-I540 CarbonylContact O-C 3.57Å; R537-Q580 CarbonylContact C-O 3.58Å; R537-Q580 PolarHBondContact N-O 3.09Å; R537-Q580 VanDerWaalsContact N-O 3.12Å; R537-A581 HydrophobicContact CB-CB 4.36Å; R537-A581 VanDerWaalsContact CB-O 3.28Å; R537-A581 WeakPolarHBondContact CB-O 3.43Å; R537-A581 VanDerWaalsContact N-CB 3.31Å; R537-A581 PolarHBondContact N-O 3.35Å; R537-I582 PolarHBondContact NH1-O 2.95Å
538	N	33.4	Very low	34.2	Very low	89 Å²	89	101.4 Å²	101.4	48%	0.476	49%	0.491	S	S	.	.	H	α-helix	trans	-89.9	-30.3	175.5	-55.8	20.6	0	0	0	110.6	I536 I540 K579 Q580	I536-N538 VanDerWaalsContact C-N 3.33Å; I536-N538 PolarHBondContact O-N 2.86Å; I536-N538 VanDerWaalsContact O-N 3.08Å; N538-I540 PolarHBondContact O-N 2.93Å; N538-K579 PolarHBondContact ND2-O 3.14Å; N538-K579 VanDerWaalsContact ND2-O 3.15Å; N538-Q580 HydrophobicContact CB-CB 3.8Å; N538-Q580 HydrophobicContact CB-CG 3.95Å; N538-Q580 WeakPolarHBondContact CB-O 3.44Å; N538-Q580 VanDerWaalsContact CG-CA 3.48Å; N538-Q580 PolarHBondContact N-O 3.14Å; N538-Q580 PolarHBondContact OD1-O 2.95Å
539	Y	31.5	Very low	34.2	Very low	156 Å²	156	101.9 Å²	101.9	61%	0.612	49%	0.493	S	S	*	.	H	α-helix	trans	-63.5	-23	164.8	-97.5	-105.4	0	0	0	113.4	I535 I536 Q580	I535-Y539 WeakPolarHBondContact O-CD2 3.41Å; I536-Y539 CarbonylContact O-C 3.03Å; I536-Y539 VanDerWaalsContact O-CA 3.23Å; I536-Y539 WeakPolarHBondContact O-CA 3.32Å; I536-Y539 WeakPolarHBondContact O-CB 3.46Å; I536-Y539 PolarHBondContact O-N 2.91Å; Y539-Q580 VanDerWaalsContact CD2-OE1 3.25Å
540	I	32.1	Very low	33.9	Very low	120 Å²	120	107 Å²	107	62%	0.615	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.1	54.5	178.5	-44.9	-173.4	0	0	0	109.8	I536 R537 N538	I536-I540 HydrophobicContact CG2-CD1 3.43Å; I536-I540 VanDerWaalsContact CG2-CD1 3.43Å; I536-I540 HydrophobicContact CG2-CG1 3.88Å; I536-I540 PolarHBondContact O-N 2.93Å; R537-I540 CarbonylContact O-C 3.57Å; N538-I540 PolarHBondContact O-N 2.93Å
541	G	28.3	Very low	33.8	Very low	57 Å²	57	108.6 Å²	108.6	59%	0.588	53%	0.526	S	S	*	.			trans	-61.2	132.4	-168.5	0	0	0	0	0	115.7
542	T	36.7	Very low	33.7	Very low	89 Å²	89	108 Å²	108	55%	0.546	53%	0.531	S	S	.	.			trans	-81.6	141.2	161	53.3	0	0	0	0	109.9	Y544	T542-Y544 PolarHBondContact O-N 3.42Å
543	Q	33.7	Very low	34.1	Very low	182 Å²	182	110.6 Å²	110.6	85%	0.85	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	18.3	-164.8	-64.9	-179.2	-36.4	0	0	115.6
544	Y	36.5	Very low	34.2	Very low	107 Å²	107	116.9 Å²	116.9	42%	0.42	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	-115.4	-9.8	-167.3	-111.8	-91.8	0	0	0	117.4	N319 Y321 H332 T542	N319-Y544 HydrophobicContact CB-CD2 4.43Å; N319-Y544 HydrophobicContact CB-CE2 4.29Å; N319-Y544 VanDerWaalsContact CG-CZ 3.45Å; N319-Y544 VanDerWaalsContact ND2-CE2 3.32Å; N319-Y544 WeakPolarHBondContact ND2-CE2 3.4Å; N319-Y544 PolarHBondContact ND2-OH 3.11Å; N319-Y544 VanDerWaalsContact OD1-CD2 3.3Å; N319-Y544 WeakPolarHBondContact OD1-CD2 3.18Å; N319-Y544 WeakPolarHBondContact OD1-CE2 3.47Å; Y321-Y544 AromaticContact CD1-CD1 3.36Å; Y321-Y544 HydrophobicContact CD1-CD1 3.36Å; Y321-Y544 AromaticContact CD1-CE1 3.74Å; Y321-Y544 HydrophobicContact CD1-CE1 3.74Å; Y321-Y544 HydrophobicContact CD1-CG 4.27Å; Y321-Y544 AromaticContact CE1-CD1 3.57Å; Y321-Y544 HydrophobicContact CE1-CD1 3.57Å; Y321-Y544 AromaticContact CE1-CE1 3.39Å; Y321-Y544 HydrophobicContact CE1-CE1 3.39Å; Y321-Y544 HydrophobicContact CG-CD1 4.41Å; H332-Y544 PolarHBondContact O-OH 3.09Å; T542-Y544 PolarHBondContact O-N 3.42Å
545	F	33.3	Very low	34	Very low	134 Å²	134	120 Å²	120	59%	0.588	59%	0.589	S	S	*	*	S	Bend	trans	-90.1	-23.3	-175.1	-135.5	-112.7	0	0	0	114.4	I382 K547 L549	I382-F545 HydrophobicContact CD1-CD2 4.15Å; I382-F545 HydrophobicContact CD1-CE2 3.38Å; I382-F545 HydrophobicContact CD1-CZ 3.91Å; F545-K547 PolarHBondContact O-N 3.44Å; F545-L549 HydrophobicContact CE1-CD1 4.06Å; F545-L549 HydrophobicContact CZ-CD1 4.47Å
546	H	33.1	Very low	33.9	Very low	146 Å²	146	122.1 Å²	122.1	68%	0.676	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	-9.4	-162.3	-116.6	-69.8	0	0	0	116.5
547	K	34.9	Very low	33.9	Very low	195 Å²	195	126 Å²	126	85%	0.848	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.7	11.8	-164.4	-130.7	-171	-176.8	-162.8	0	116.3	F545	F545-K547 PolarHBondContact O-N 3.44Å
548	K	35.7	Very low	33.9	Very low	197 Å²	197	127.1 Å²	127.1	86%	0.857	64%	0.639	S	S	*	*	S	Bend	trans	-139.5	1.4	177.1	-91.1	-159.8	170.5	-162.6	0	115.2
549	L	32.1	Very low	33.6	Very low	106 Å²	106	130.1 Å²	130.1	56%	0.555	66%	0.655	S	S	*	*	S	Bend	trans	-129.7	6.2	-178.2	-92.9	166.3	0	0	0	112.9	F545	F545-L549 HydrophobicContact CE1-CD1 4.06Å; F545-L549 HydrophobicContact CZ-CD1 4.47Å
550	M	33.5	Very low	33.6	Very low	139 Å²	139	131 Å²	131	69%	0.685	67%	0.665	S	S	*	*	S	Bend	trans	-129.3	27.7	-179.9	-71	-77.3	162.7	0	0	110.3
551	D	34.4	Very low	33.5	Very low	81 Å²	81	132.3 Å²	132.3	43%	0.433	67%	0.668	S	S	.	*			trans	-111.7	92.3	179.7	-148.1	9.5	0	0	0	105.7	D553 H554	D551-D553 VanDerWaalsContact C-N 3.25Å; D551-D553 PolarHBondContact O-N 2.91Å; D551-H554 HydrophobicContact CB-CB 4.5Å; D551-H554 PolarHBondContact O-N 3.31Å; D551-H554 IonicContact OD2-CD2 2.82Å
552	P	34.4	Very low	33.6	Very low	84 Å²	84	134.5 Å²	134.5	55%	0.545	67%	0.674	S	S	.	*	G	3₁₀ helix	trans	-63	-34.3	-164.4	24.3	-33.6	0	0	0	112.3	H554 M555	P552-H554 PolarHBondContact O-N 3.39Å; P552-M555 PolarHBondContact O-N 3.42Å; P552-M555 VanDerWaalsContact O-N 3.09Å
553	D	39.8	Very low	33.5	Very low	118 Å²	118	135.3 Å²	135.3	63%	0.631	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-65.4	-21.5	-177.9	-53	-31.2	0	0	0	112.6	D551	D551-D553 VanDerWaalsContact C-N 3.25Å; D551-D553 PolarHBondContact O-N 2.91Å
554	H	40.1	Very low	33.6	Very low	149 Å²	149	130.7 Å²	130.7	69%	0.69	66%	0.664	S	S	*	*	G	3₁₀ helix	trans	-85.2	-9.9	177.4	-111.5	-48.7	0	0	0	114.3	D551 P552	D551-H554 HydrophobicContact CB-CB 4.5Å; D551-H554 PolarHBondContact O-N 3.31Å; D551-H554 IonicContact OD2-CD2 2.82Å; P552-H554 PolarHBondContact O-N 3.39Å
555	M	32.2	Very low	33.5	Very low	130 Å²	130	129.5 Å²	129.5	64%	0.64	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.7	-10.9	-178.8	-68.1	-87.6	84.6	0	0	114	P552	P552-M555 PolarHBondContact O-N 3.42Å; P552-M555 VanDerWaalsContact O-N 3.09Å
556	L	30.5	Very low	33.3	Very low	132 Å²	132	130 Å²	130	69%	0.691	67%	0.669	S	S	*	*	S	Bend	trans	-90.6	-6.4	-171.8	-74.2	164.7	0	0	0	115.1
557	N	33.2	Very low	33.3	Very low	143 Å²	143	129.3 Å²	129.3	77%	0.765	67%	0.665	S	S	*	*	S	Bend	trans	-111.5	21.4	-165	-80.5	-36.9	0	0	0	116.1
558	T	31.7	Very low	33.2	Very low	115 Å²	115	126.6 Å²	126.6	71%	0.706	65%	0.65	S	S	*	*			trans	-126.9	92.3	178.2	56.6	0	0	0	0	112.8	H560	T558-H560 PolarHBondContact O-N 3.05Å
559	N	28.7	Very low	33.4	Very low	153 Å²	153	125.1 Å²	125.1	82%	0.818	64%	0.639	S	S	*	*			trans	-74.1	36.7	-171.3	-75.4	-24.1	0	0	0	116.3
560	H	30.3	Very low	33.5	Very low	175 Å²	175	125.1 Å²	125.1	81%	0.81	64%	0.637	S	S	*	*			trans	-136	150.6	-175.4	-67.4	-41.5	0	0	0	114.9	T558	T558-H560 PolarHBondContact O-N 3.05Å
561	Q	31.2	Very low	33.6	Very low	147 Å²	147	121.7 Å²	121.7	69%	0.687	62%	0.621	S	S	*	*			trans	76.4	66.5	173.7	-54.6	-173.3	-4.6	0	0	117.1	S563	Q561-S563 PolarHBondContact O-N 2.99Å; Q561-S563 VanDerWaalsContact O-N 3.12Å
562	S	29.9	Very low	33.8	Very low	103 Å²	103	123.7 Å²	123.7	72%	0.72	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-62.1	-7.3	169.3	48.6	0	0	0	0	115.7	N565	S562-N565 PolarHBondContact O-ND2 2.83Å
563	S	33.4	Very low	34	Very low	106 Å²	106	126.8 Å²	126.8	74%	0.741	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-83.8	-14.9	-176.2	48.7	0	0	0	0	115.4	Q561 N565	Q561-S563 PolarHBondContact O-N 2.99Å; Q561-S563 VanDerWaalsContact O-N 3.12Å; S563-N565 VanDerWaalsContact C-N 3.25Å; S563-N565 PolarHBondContact O-N 2.89Å
564	N	35.9	Very low	34	Very low	84 Å²	84	124 Å²	124	45%	0.449	62%	0.622	S	S	.	*	G	3₁₀ helix	trans	-80.4	-0.4	177.7	-85.2	-49.1	0	0	0	114.3	E566 Y568	N564-E566 PolarHBondContact O-N 2.99Å; N564-Y568 HydrophobicContact CB-CD2 4.14Å; N564-Y568 HydrophobicContact CB-CE2 4.4Å; N564-Y568 PolarHBondContact O-N 3.38Å
565	N	34.9	Very low	33.9	Very low	82 Å²	82	120.5 Å²	120.5	44%	0.439	61%	0.613	S	S	.	*	H	α-helix	trans	-63	-32.4	-164.5	-93	-57.9	0	0	0	115.5	S562 S563 R569	S562-N565 PolarHBondContact O-ND2 2.83Å; S563-N565 VanDerWaalsContact C-N 3.25Å; S563-N565 PolarHBondContact O-N 2.89Å; N565-R569 WeakPolarHBondContact O-CB 3.43Å; N565-R569 WeakPolarHBondContact O-CG 3.36Å; N565-R569 PolarHBondContact O-N 3.5Å
566	E	29.6	Very low	34	Very low	144 Å²	144	119.6 Å²	119.6	67%	0.673	61%	0.611	S	S	*	*	H	α-helix	trans	-75.2	-46.4	-173.9	-169.2	160.7	-128.3	0	0	112.6	N564 Y568 R569 Q570	N564-E566 PolarHBondContact O-N 2.99Å; E566-Y568 VanDerWaalsContact C-N 3.3Å; E566-Y568 PolarHBondContact O-N 2.89Å; E566-R569 PolarHBondContact O-N 3.17Å; E566-Q570 WeakPolarHBondContact O-CG 3.34Å; E566-Q570 PolarHBondContact O-N 3.01Å
567	F	33.5	Very low	34.1	Very low	133 Å²	133	120.2 Å²	120.2	58%	0.583	61%	0.61	S	S	*	*	H	α-helix	trans	-60.6	-39.2	172.5	-178.6	-110.4	0	0	0	111.9	L571	F567-L571 HydrophobicContact CD1-CD1 3.82Å; F567-L571 HydrophobicContact CE1-CD1 3.44Å; F567-L571 VanDerWaalsContact CE1-CD1 3.44Å; F567-L571 HydrophobicContact CE1-CG 4.5Å; F567-L571 HydrophobicContact CE2-CD1 4.45Å; F567-L571 HydrophobicContact CG-CD1 4.47Å; F567-L571 HydrophobicContact CZ-CD1 3.8Å; F567-L571 HydrophobicContact CZ-CG 4.49Å; F567-L571 WeakPolarHBondContact O-CB 3.3Å; F567-L571 PolarHBondContact O-N 3.23Å
568	Y	33.5	Very low	34.1	Very low	137 Å²	137	116.7 Å²	116.7	54%	0.537	59%	0.591	S	S	.	*	H	α-helix	trans	-67.5	-40.5	174.3	-93.2	-99.8	0	0	0	113	N564 E566 L571 I572	N564-Y568 HydrophobicContact CB-CD2 4.14Å; N564-Y568 HydrophobicContact CB-CE2 4.4Å; N564-Y568 PolarHBondContact O-N 3.38Å; E566-Y568 VanDerWaalsContact C-N 3.3Å; E566-Y568 PolarHBondContact O-N 2.89Å; Y568-L571 PolarHBondContact O-N 3.05Å; Y568-I572 WeakPolarHBondContact O-CD1 3.34Å; Y568-I572 VanDerWaalsContact O-CG1 3.26Å; Y568-I572 WeakPolarHBondContact O-CG1 3.16Å; Y568-I572 PolarHBondContact O-N 2.89Å
569	R	38	Very low	34.2	Very low	166 Å²	166	113.9 Å²	113.9	63%	0.626	57%	0.569	S	S	*	*	H	α-helix	trans	-60.3	-45.4	173.8	-78.1	168.1	179.8	-168.8	-0.8	111.5	N565 E566 L571 I572 Q573	N565-R569 WeakPolarHBondContact O-CB 3.43Å; N565-R569 WeakPolarHBondContact O-CG 3.36Å; N565-R569 PolarHBondContact O-N 3.5Å; E566-R569 PolarHBondContact O-N 3.17Å; R569-L571 PolarHBondContact O-N 2.8Å; R569-I572 PolarHBondContact O-N 3.32Å; R569-Q573 VanDerWaalsContact O-CG 3.3Å; R569-Q573 WeakPolarHBondContact O-CG 2.8Å; R569-Q573 PolarHBondContact O-N 3.49Å
570	Q	34.6	Very low	34.3	Very low	107 Å²	107	108.6 Å²	108.6	50%	0.5	54%	0.539	S	S	.	.	H	α-helix	trans	-63.6	-39.2	176.7	-68.7	171.8	5.7	0	0	112.2	E566 Q573 L574	E566-Q570 WeakPolarHBondContact O-CG 3.34Å; E566-Q570 PolarHBondContact O-N 3.01Å; Q570-Q573 PolarHBondContact O-N 2.57Å; Q570-L574 PolarHBondContact O-N 2.78Å
571	L	35.2	Very low	34.3	Very low	67 Å²	67	100.2 Å²	100.2	35%	0.351	50%	0.5	S	S	.	.	H	α-helix	trans	-64.9	-37.6	173.9	-88.1	166.5	0	0	0	113.5	F567 Y568 R569 L574 K579	F567-L571 HydrophobicContact CD1-CD1 3.82Å; F567-L571 HydrophobicContact CE1-CD1 3.44Å; F567-L571 VanDerWaalsContact CE1-CD1 3.44Å; F567-L571 HydrophobicContact CE1-CG 4.5Å; F567-L571 HydrophobicContact CE2-CD1 4.45Å; F567-L571 HydrophobicContact CG-CD1 4.47Å; F567-L571 HydrophobicContact CZ-CD1 3.8Å; F567-L571 HydrophobicContact CZ-CG 4.49Å; F567-L571 WeakPolarHBondContact O-CB 3.3Å; F567-L571 PolarHBondContact O-N 3.23Å; Y568-L571 PolarHBondContact O-N 3.05Å; R569-L571 PolarHBondContact O-N 2.8Å; L571-L574 HydrophobicContact CD2-CD1 4.2Å; L571-K579 VanDerWaalsContact O-CE 3.28Å; L571-K579 WeakPolarHBondContact O-CE 3.44Å
572	I	40.1	Very low	34.4	Very low	123 Å²	123	95.7 Å²	95.7	63%	0.631	48%	0.48	S	S	*	.	H	α-helix	trans	-66.1	-41.8	176.6	-70.9	162.9	0	0	0	110.5	Y568 R569 L574 K579	Y568-I572 WeakPolarHBondContact O-CD1 3.34Å; Y568-I572 VanDerWaalsContact O-CG1 3.26Å; Y568-I572 WeakPolarHBondContact O-CG1 3.16Å; Y568-I572 PolarHBondContact O-N 2.89Å; R569-I572 PolarHBondContact O-N 3.32Å; I572-L574 VanDerWaalsContact C-N 3.27Å; I572-L574 PolarHBondContact O-N 3Å; I572-K579 PolarHBondContact O-NZ 3.3Å; I572-K579 VanDerWaalsContact O-NZ 3.15Å
573	Q	38.6	Very low	34.5	Very low	149 Å²	149	92.1 Å²	92.1	70%	0.696	46%	0.459	S	S	*	.	H	α-helix	trans	-66.3	-17.3	-178.8	-75.1	170.8	-10.4	0	0	115.2	R569 Q570	R569-Q573 VanDerWaalsContact O-CG 3.3Å; R569-Q573 WeakPolarHBondContact O-CG 2.8Å; R569-Q573 PolarHBondContact O-N 3.49Å; Q570-Q573 PolarHBondContact O-N 2.57Å
574	L	38.7	Very low	34.8	Very low	58 Å²	58	93.3 Å²	93.3	30%	0.304	45%	0.449	S	S	.	.	S	Bend	trans	-58.7	132.8	174.6	-73.4	172.8	0	0	0	110.5	Y534 Q570 L571 I572 D576 K579	Y534-L574 HydrophobicContact CE1-CD1 4.45Å; Q570-L574 PolarHBondContact O-N 2.78Å; L571-L574 HydrophobicContact CD2-CD1 4.2Å; I572-L574 VanDerWaalsContact C-N 3.27Å; I572-L574 PolarHBondContact O-N 3Å; L574-D576 PolarHBondContact O-N 3.07Å; L574-K579 HydrophobicContact CB-CD 4.49Å; L574-K579 HydrophobicContact CB-CG 3.92Å; L574-K579 WeakPolarHBondContact O-CE 3.41Å; L574-K579 PolarHBondContact O-NZ 3.11Å
575	P	38.7	Very low	34.8	Very low	77 Å²	77	90.4 Å²	90.4	50%	0.5	43%	0.433	S	S	.	.			trans	-59.4	140.4	173.6	-22.8	32.8	0	0	0	110.6	Q577 L578	P575-Q577 PolarHBondContact O-N 3.37Å; P575-L578 HydrophobicContact CB-CB 4.28Å; P575-L578 HydrophobicContact CG-CD1 4.32Å; P575-L578 CarbonylContact O-C 3.58Å; P575-L578 VanDerWaalsContact O-CA 3.3Å; P575-L578 WeakPolarHBondContact O-CA 3.39Å; P575-L578 VanDerWaalsContact O-CB 3.27Å; P575-L578 WeakPolarHBondContact O-CB 3.45Å; P575-L578 PolarHBondContact O-N 3.41Å
576	D	34.1	Very low	34.8	Very low	111 Å²	111	91.3 Å²	91.3	59%	0.594	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-63.8	-23.5	-170	-71.3	-31.9	0	0	0	114.3	L574 L578 K579 Q580	L574-D576 PolarHBondContact O-N 3.07Å; D576-L578 PolarHBondContact O-N 2.98Å; D576-K579 IonicContact OD1-NZ 3.86Å; D576-K579 PolarHBondContact OD1-NZ 3.22Å; D576-Q580 WeakPolarHBondContact O-CG 3.47Å; D576-Q580 PolarHBondContact O-NE2 3.37Å
577	Q	33.3	Very low	34.8	Very low	144 Å²	144	88.3 Å²	88.3	67%	0.673	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-70.1	-22	171.9	-64.4	169.1	-4.9	0	0	113.1	I535 P575	I535-Q577 PolarHBondContact N-O 2.96Å; P575-Q577 PolarHBondContact O-N 3.37Å
578	L	32.4	Very low	34.7	Very low	70 Å²	70	87.5 Å²	87.5	37%	0.366	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-99.3	12.6	-176.6	-120	171.1	0	0	0	112.5	Q531 Y534 P575 D576	Q531-L578 HydrophobicContact CG-CD2 4.46Å; Y534-L578 WeakPolarHBondContact CD1-O 3.32Å; Y534-L578 WeakPolarHBondContact CE1-O 3.21Å; Y534-L578 CarbonylContact O-C 3.34Å; Y534-L578 WeakPolarHBondContact O-CA 3.33Å; P575-L578 HydrophobicContact CB-CB 4.28Å; P575-L578 HydrophobicContact CG-CD1 4.32Å; P575-L578 CarbonylContact O-C 3.58Å; P575-L578 VanDerWaalsContact O-CA 3.3Å; P575-L578 WeakPolarHBondContact O-CA 3.39Å; P575-L578 VanDerWaalsContact O-CB 3.27Å; P575-L578 WeakPolarHBondContact O-CB 3.45Å; P575-L578 PolarHBondContact O-N 3.41Å; D576-L578 PolarHBondContact O-N 2.98Å
579	K	34.1	Very low	35	Very low	56 Å²	56	86.2 Å²	86.2	24%	0.243	43%	0.425	C	S	.	.	S	Bend	trans	-102.6	12.3	176.8	-69.8	178.1	178.5	147.1	0	113.7	Y534 N538 L571 I572 L574 D576	Y534-K579 PolarHBondContact O-N 3.49Å; N538-K579 PolarHBondContact ND2-O 3.14Å; N538-K579 VanDerWaalsContact ND2-O 3.15Å; L571-K579 VanDerWaalsContact O-CE 3.28Å; L571-K579 WeakPolarHBondContact O-CE 3.44Å; I572-K579 PolarHBondContact O-NZ 3.3Å; I572-K579 VanDerWaalsContact O-NZ 3.15Å; L574-K579 HydrophobicContact CB-CD 4.49Å; L574-K579 HydrophobicContact CB-CG 3.92Å; L574-K579 WeakPolarHBondContact O-CE 3.41Å; L574-K579 PolarHBondContact O-NZ 3.11Å; D576-K579 IonicContact OD1-NZ 3.86Å; D576-K579 PolarHBondContact OD1-NZ 3.22Å
580	Q	31	Very low	35.1	Very low	41 Å²	41	78.4 Å²	78.4	19%	0.192	40%	0.396	C	S	.	.			trans	-121.7	13.2	-137.2	-67.7	-139.4	28.8	0	0	119.7	Y534 I535 I536 R537 N538 Y539 D576	Y534-Q580 PolarHBondContact O-N 3.4Å; I535-Q580 CarbonylContact C-O 3.01Å; I535-Q580 VanDerWaalsContact C-O 3.28Å; I535-Q580 CarbonylContact O-C 3.37Å; I535-Q580 VanDerWaalsContact O-CB 3.25Å; I535-Q580 WeakPolarHBondContact O-CB 3.43Å; I536-Q580 CarbonylContact C-O 3.57Å; R537-Q580 CarbonylContact C-O 3.58Å; R537-Q580 PolarHBondContact N-O 3.09Å; R537-Q580 VanDerWaalsContact N-O 3.12Å; N538-Q580 HydrophobicContact CB-CB 3.8Å; N538-Q580 HydrophobicContact CB-CG 3.95Å; N538-Q580 WeakPolarHBondContact CB-O 3.44Å; N538-Q580 VanDerWaalsContact CG-CA 3.48Å; N538-Q580 PolarHBondContact N-O 3.14Å; N538-Q580 PolarHBondContact OD1-O 2.95Å; Y539-Q580 VanDerWaalsContact CD2-OE1 3.25Å; D576-Q580 WeakPolarHBondContact O-CG 3.47Å; D576-Q580 PolarHBondContact O-NE2 3.37Å
581	A	30.5	Very low	35.1	Very low	0 Å²	0	80.3 Å²	80.3	0%	0	40%	0.402	C	S	.	.			trans	-153.2	-4.2	-167.3	0	0	0	0	0	130.8	R533 I535 I536 R537 G583	R533-A581 CarbonylContact O-C 3.28Å; R533-A581 VanDerWaalsContact O-CA 3.3Å; R533-A581 WeakPolarHBondContact O-CA 3.45Å; R533-A581 WeakPolarHBondContact O-CB 3.34Å; I535-A581 HydrophobicContact CB-CB 4.35Å; I536-A581 HydrophobicContact CB-CB 3.86Å; I536-A581 HydrophobicContact CG1-CB 4.49Å; R537-A581 HydrophobicContact CB-CB 4.36Å; R537-A581 VanDerWaalsContact CB-O 3.28Å; R537-A581 WeakPolarHBondContact CB-O 3.43Å; R537-A581 VanDerWaalsContact N-CB 3.31Å; R537-A581 PolarHBondContact N-O 3.35Å; A581-G583 PolarHBondContact O-N 3.49Å
582	I	32.7	Very low	35.3	Very low	51 Å²	51	84.9 Å²	84.9	26%	0.262	42%	0.419	S	S	.	.			trans	-59.3	105.6	-155.6	-62.1	175.1	0	0	0	114.1	V530 R533 Y534 R537	V530-I582 HydrophobicContact CG1-CD1 4.05Å; R533-I582 HydrophobicContact CB-CG1 4.42Å; R533-I582 VanDerWaalsContact O-CA 3.23Å; R533-I582 WeakPolarHBondContact O-CA 3.43Å; R533-I582 VanDerWaalsContact O-CG1 3.23Å; R533-I582 WeakPolarHBondContact O-CG1 3.44Å; R533-I582 PolarHBondContact O-N 3.37Å; Y534-I582 HydrophobicContact CD2-CD1 4.28Å; Y534-I582 HydrophobicContact CD2-CG1 3.72Å; Y534-I582 HydrophobicContact CE2-CD1 4.25Å; Y534-I582 HydrophobicContact CE2-CG1 4.05Å; R537-I582 PolarHBondContact NH1-O 2.95Å
583	G	32.7	Very low	35.2	Very low	28 Å²	28	81.6 Å²	81.6	29%	0.289	40%	0.401	S	S	.	.			trans	160.9	105.4	177.1	0	0	0	0	0	114.6	A581	A581-G583 PolarHBondContact O-N 3.49Å
584	Y	38.5	Very low	35.3	Very low	132 Å²	132	75.5 Å²	75.5	52%	0.518	37%	0.373	S	S	.	.			trans	176.1	145.5	130.9	-101.5	-66.1	0	0	0	111.2	F529	F529-Y584 WeakPolarHBondContact CZ-O 3.38Å
585	M	35.9	Very low	35.5	Very low	22 Å²	22	79 Å²	79	11%	0.108	38%	0.383	C	S	.	.			trans	-150.4	111.2	161.5	-153.8	-175.7	-159.5	0	0	105.7	Y469 F529 L590	Y469-M585 HydrophobicContact CD2-CE 4.37Å; Y469-M585 HydrophobicContact CD2-SD 4.11Å; Y469-M585 HydrophobicContact CE2-CE 3.6Å; Y469-M585 HydrophobicContact CE2-SD 3.84Å; F529-M585 HydrophobicContact CZ-CB 4.22Å; F529-M585 HydrophobicContact CZ-CG 4.17Å; M585-L590 HydrophobicContact CB-CD1 4.14Å; M585-L590 HydrophobicContact CG-CD1 3.93Å; M585-L590 HydrophobicContact CG-CG 4.42Å; M585-L590 HydrophobicContact SD-CD1 3.81Å; M585-L590 HydrophobicContact SD-CD2 4.42Å; M585-L590 HydrophobicContact SD-CG 4.08Å
586	E	35.6	Very low	35.8	Very low	102 Å²	102	77.5 Å²	77.5	48%	0.477	38%	0.378	S	S	.	.			trans	-76.5	150	-170.9	-59.5	-165.7	163.3	0	0	113	I588 H589 L590	E586-I588 PolarHBondContact O-N 3.08Å; E586-I588 VanDerWaalsContact O-N 3.15Å; E586-H589 PolarHBondContact O-N 2.94Å; E586-L590 PolarHBondContact O-N 3.47Å
587	V	29.5	Very low	36.1	Very low	80 Å²	80	72.6 Å²	72.6	49%	0.485	35%	0.351	S	S	.	.	H	α-helix	trans	-58	-27.4	172.5	-179.4	0	0	0	0	111.5	K591	V587-K591 WeakPolarHBondContact O-CB 3.43Å; V587-K591 PolarHBondContact O-N 3.16Å
588	I	31.6	Very low	36.4	Very low	116 Å²	116	68.1 Å²	68.1	60%	0.595	33%	0.334	S	S	*	.	H	α-helix	trans	-68.9	-41.1	175.3	-69.4	173.9	0	0	0	111.9	E586	E586-I588 PolarHBondContact O-N 3.08Å; E586-I588 VanDerWaalsContact O-N 3.15Å
589	H	39.8	Very low	36.8	Very low	111 Å²	111	70 Å²	70	51%	0.514	34%	0.341	S	S	.	.	H	α-helix	trans	-68.2	-49.8	175.5	-63.3	-56.9	0	0	0	110.5	E586 K591 K592 E593	E586-H589 PolarHBondContact O-N 2.94Å; H589-K591 VanDerWaalsContact C-N 3.28Å; H589-K591 PolarHBondContact O-N 3.04Å; H589-K592 PolarHBondContact O-N 2.98Å; H589-K592 VanDerWaalsContact O-N 3.1Å; H589-E593 PolarHBondContact O-N 2.87Å
590	L	39.5	Very low	37	Very low	2 Å²	2	69.8 Å²	69.8	1%	0.01	34%	0.342	C	S	.	.	H	α-helix	trans	-61	-32.5	175.4	-88.7	146.7	0	0	0	112.8	I462 F465 M585 E586 K592 E593 L594	I462-L590 HydrophobicContact CB-CD1 4.48Å; I462-L590 HydrophobicContact CG1-CB 4.47Å; I462-L590 HydrophobicContact CG1-CD1 4.02Å; I462-L590 HydrophobicContact CG1-CD2 4.17Å; I462-L590 HydrophobicContact CG1-CG 4.44Å; I462-L590 HydrophobicContact CG2-CD1 3.96Å; F465-L590 HydrophobicContact CD2-CD2 3.96Å; F465-L590 HydrophobicContact CE2-CD2 4.4Å; M585-L590 HydrophobicContact CB-CD1 4.14Å; M585-L590 HydrophobicContact CG-CD1 3.93Å; M585-L590 HydrophobicContact CG-CG 4.42Å; M585-L590 HydrophobicContact SD-CD1 3.81Å; M585-L590 HydrophobicContact SD-CD2 4.42Å; M585-L590 HydrophobicContact SD-CG 4.08Å; E586-L590 PolarHBondContact O-N 3.47Å; L590-K592 VanDerWaalsContact C-N 3.28Å; L590-K592 PolarHBondContact O-N 2.98Å; L590-E593 PolarHBondContact O-N 3.3Å; L590-L594 HydrophobicContact CB-CD1 4.41Å; L590-L594 WeakPolarHBondContact O-CB 3.44Å; L590-L594 WeakPolarHBondContact O-CD1 3.38Å; L590-L594 WeakPolarHBondContact O-CG 3.34Å; L590-L594 PolarHBondContact O-N 2.91Å
591	K	34.7	Very low	37.1	Very low	147 Å²	147	80.7 Å²	80.7	64%	0.639	39%	0.388	S	S	*	.	H	α-helix	trans	-63.8	-33.1	176	-172	171.8	-175.5	178.9	0	112	V587 H589 Y595	V587-K591 WeakPolarHBondContact O-CB 3.43Å; V587-K591 PolarHBondContact O-N 3.16Å; H589-K591 VanDerWaalsContact C-N 3.28Å; H589-K591 PolarHBondContact O-N 3.04Å; K591-Y595 VanDerWaalsContact O-CB 3.24Å; K591-Y595 WeakPolarHBondContact O-CB 3.48Å; K591-Y595 PolarHBondContact O-N 3.16Å; K591-Y595 VanDerWaalsContact O-N 3.11Å
592	K	38.6	Very low	37.5	Very low	162 Å²	162	84.7 Å²	84.7	70%	0.704	41%	0.408	S	S	*	.	H	α-helix	trans	-72.9	-41.9	173.2	-69.5	-174.1	176.2	-176.2	0	112	H589 L590 Y595 A596	H589-K592 PolarHBondContact O-N 2.98Å; H589-K592 VanDerWaalsContact O-N 3.1Å; L590-K592 VanDerWaalsContact C-N 3.28Å; L590-K592 PolarHBondContact O-N 2.98Å; K592-Y595 PolarHBondContact O-N 3.04Å; K592-A596 WeakPolarHBondContact O-CB 3.43Å; K592-A596 PolarHBondContact O-N 3.09Å
593	E	38.5	Very low	37.7	Very low	55 Å²	55	86.5 Å²	86.5	26%	0.257	42%	0.415	S	S	.	.	H	α-helix	trans	-71.9	-38.4	179.2	-66.2	-175.1	161.8	0	0	112.7	H589 L590 A596 L597	H589-E593 PolarHBondContact O-N 2.87Å; L590-E593 PolarHBondContact O-N 3.3Å; E593-A596 CarbonylContact O-C 3.45Å; E593-A596 PolarHBondContact O-N 3.16Å; E593-L597 WeakPolarHBondContact O-CG 3.43Å; E593-L597 PolarHBondContact O-N 2.93Å
594	L	41.5	Very low	38	Very low	20 Å²	20	89.7 Å²	89.7	11%	0.105	42%	0.422	C	S	.	.	H	α-helix	trans	-62.8	-42.3	171	-71.9	167.1	0	0	0	111.4	I461 I462 L590 A596 L597 T598	I461-L594 HydrophobicContact CB-CD2 4.37Å; I461-L594 HydrophobicContact CD1-CD2 4.34Å; I461-L594 HydrophobicContact CG2-CD2 3.82Å; I462-L594 HydrophobicContact CD1-CD1 4.44Å; L590-L594 HydrophobicContact CB-CD1 4.41Å; L590-L594 WeakPolarHBondContact O-CB 3.44Å; L590-L594 WeakPolarHBondContact O-CD1 3.38Å; L590-L594 WeakPolarHBondContact O-CG 3.34Å; L590-L594 PolarHBondContact O-N 2.91Å; L594-A596 VanDerWaalsContact C-N 3.31Å; L594-A596 PolarHBondContact O-N 3.23Å; L594-L597 HydrophobicContact CD2-CD1 4.24Å; L594-L597 WeakPolarHBondContact O-CB 3.42Å; L594-L597 PolarHBondContact O-N 2.72Å; L594-L597 VanDerWaalsContact O-N 3.1Å; L594-T598 PolarHBondContact O-N 2.99Å; L594-T598 PolarHBondContact O-OG1 2.99Å
595	Y	43	Very low	38	Very low	132 Å²	132	87.2 Å²	87.2	52%	0.518	42%	0.417	S	S	.	.	H	α-helix	trans	-63	-40	174.4	-160.7	-106.9	0	0	0	111.3	K591 K592 L597 T598 Q599	K591-Y595 VanDerWaalsContact O-CB 3.24Å; K591-Y595 WeakPolarHBondContact O-CB 3.48Å; K591-Y595 PolarHBondContact O-N 3.16Å; K591-Y595 VanDerWaalsContact O-N 3.11Å; K592-Y595 PolarHBondContact O-N 3.04Å; Y595-L597 VanDerWaalsContact C-N 3.3Å; Y595-L597 PolarHBondContact O-N 3.45Å; Y595-T598 WeakPolarHBondContact CA-OG1 3.12Å; Y595-T598 PolarHBondContact O-N 3.45Å; Y595-T598 PolarHBondContact O-OG1 3.49Å; Y595-Q599 HydrophobicContact CD1-CG 4.2Å; Y595-Q599 VanDerWaalsContact CE1-CD 3.5Å; Y595-Q599 HydrophobicContact CE1-CG 4.13Å; Y595-Q599 WeakPolarHBondContact O-CB 3.49Å; Y595-Q599 WeakPolarHBondContact O-CG 3.44Å; Y595-Q599 PolarHBondContact O-N 2.89Å
596	A	44	Very low	38.1	Very low	46 Å²	46	91.3 Å²	91.3	38%	0.38	44%	0.436	S	S	.	.	H	α-helix	trans	-73.4	-13.5	173.5	0	0	0	0	0	114.6	K516 K592 E593 L594	K516-A596 PolarHBondContact NZ-O 2.78Å; K592-A596 WeakPolarHBondContact O-CB 3.43Å; K592-A596 PolarHBondContact O-N 3.09Å; E593-A596 CarbonylContact O-C 3.45Å; E593-A596 PolarHBondContact O-N 3.16Å; L594-A596 VanDerWaalsContact C-N 3.31Å; L594-A596 PolarHBondContact O-N 3.23Å
597	L	40.2	Very low	38.3	Very low	8 Å²	8	90.6 Å²	90.6	4%	0.042	43%	0.433	C	S	.	.	H	α-helix	trans	-80.8	-41.3	166.6	-82.5	159.5	0	0	0	110.8	Y513 K516 F517 I520 E593 L594 Y595	Y513-L597 HydrophobicContact CD1-CD2 4.31Å; K516-L597 HydrophobicContact CB-CD2 3.53Å; K516-L597 HydrophobicContact CD-CD2 4.45Å; K516-L597 HydrophobicContact CG-CD2 4.31Å; F517-L597 HydrophobicContact CD2-CD2 4.1Å; F517-L597 HydrophobicContact CE2-CD1 4.4Å; F517-L597 HydrophobicContact CE2-CD2 4.08Å; I520-L597 HydrophobicContact CD1-CD1 3.76Å; I520-L597 HydrophobicContact CD1-CD2 4.07Å; I520-L597 HydrophobicContact CD1-CG 3.9Å; E593-L597 WeakPolarHBondContact O-CG 3.43Å; E593-L597 PolarHBondContact O-N 2.93Å; L594-L597 HydrophobicContact CD2-CD1 4.24Å; L594-L597 WeakPolarHBondContact O-CB 3.42Å; L594-L597 PolarHBondContact O-N 2.72Å; L594-L597 VanDerWaalsContact O-N 3.1Å; Y595-L597 VanDerWaalsContact C-N 3.3Å; Y595-L597 PolarHBondContact O-N 3.45Å
598	T	40.5	Very low	38.9	Very low	49 Å²	49	91.4 Å²	91.4	30%	0.301	43%	0.43	S	S	.	.	H	α-helix	trans	-77.5	-25.7	179.1	52.4	0	0	0	0	114	W435 L594 Y595 I600	W435-T598 HydrophobicContact CH2-CG2 3.7Å; W435-T598 HydrophobicContact CZ3-CG2 3.88Å; L594-T598 PolarHBondContact O-N 2.99Å; L594-T598 PolarHBondContact O-OG1 2.99Å; Y595-T598 WeakPolarHBondContact CA-OG1 3.12Å; Y595-T598 PolarHBondContact O-N 3.45Å; Y595-T598 PolarHBondContact O-OG1 3.49Å; T598-I600 PolarHBondContact O-N 3.42Å; T598-I600 VanDerWaalsContact O-N 3.15Å
599	Q	41.5	Very low	39.4	Very low	110 Å²	110	89.5 Å²	89.5	51%	0.514	42%	0.417	S	S	.	.			trans	-78.2	97.9	173.5	-75.8	-169.7	-44.6	0	0	110.9	Y512 Y595	Y512-Q599 PolarHBondContact OH-O 3Å; Y595-Q599 HydrophobicContact CD1-CG 4.2Å; Y595-Q599 VanDerWaalsContact CE1-CD 3.5Å; Y595-Q599 HydrophobicContact CE1-CG 4.13Å; Y595-Q599 WeakPolarHBondContact O-CB 3.49Å; Y595-Q599 WeakPolarHBondContact O-CG 3.44Å; Y595-Q599 PolarHBondContact O-N 2.89Å
600	I	37.2	Very low	39.4	Very low	52 Å²	52	87.7 Å²	87.7	27%	0.267	41%	0.409	S	S	.	.			trans	-78.4	151.5	157.7	-68.8	152.4	0	0	0	108.2	N436 Y509 Y512 T598	N436-I600 WeakPolarHBondContact ND2-CD1 3.44Å; N436-I600 WeakPolarHBondContact OD1-CD1 3.25Å; Y509-I600 HydrophobicContact CD1-CD1 4Å; Y509-I600 HydrophobicContact CE1-CD1 3.7Å; Y512-I600 HydrophobicContact CD1-CG1 4.36Å; Y512-I600 HydrophobicContact CE1-CD1 4.47Å; Y512-I600 HydrophobicContact CE1-CG1 3.73Å; T598-I600 PolarHBondContact O-N 3.42Å; T598-I600 VanDerWaalsContact O-N 3.15Å
601	K	34	Very low	39.4	Very low	269 Å²	269	95.5 Å²	95.5	100%	1.17	45%	0.445	S	S	*	.			trans	-100.3	0	167.3	-93.3	-163.2	170.5	-164.4	0	108.7

Retrieved 601 of 601 residues in 167.8 ms (Link to these results)

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