A0A077Z6U7_TRITR Loading...

Vezatin, adherens junctions transmembrane protein

AlphaFold DB , UniProt , Accession A0A077Z6U7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 603 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	34.7	Very low	32.7	Very low	228 Å²	228	145.8 Å²	145.8	100%	1.123	78%	0.777	S	S	*	*				0	68.8	0	-60.2	170.5	178.4	0	0	107.6
2	S	29.3	Very low	32.9	Very low	103 Å²	103	146 Å²	146	72%	0.72	77%	0.766	S	S	*	*			cis	61.1	109	28.2	75.2	0	0	0	0	114.2
3	D	32.8	Very low	33.2	Very low	140 Å²	140	145.3 Å²	145.3	75%	0.749	75%	0.753	S	S	*	*			trans	-177.7	8.5	144.9	-93.9	-4.4	0	0	0	114.3	T5 G6	D3-T5 PolarHBondContact O-N 3.02Å; D3-G6 PolarHBondContact O-N 3.31Å
4	E	37.2	Very low	33.2	Very low	196 Å²	196	148.8 Å²	148.8	92%	0.916	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	-13	177.9	-66.9	-164.8	123.8	0	0	115.2
5	T	36.5	Very low	33	Very low	129 Å²	129	142.1 Å²	142.1	79%	0.791	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	-14.7	-179.6	44.3	0	0	0	0	114.3	D3	D3-T5 PolarHBondContact O-N 3.02Å
6	G	34.1	Very low	33	Very low	47 Å²	47	140.3 Å²	140.3	49%	0.485	74%	0.735	S	S	.	*	S	Bend	trans	-75.8	-30.7	-174.2	0	0	0	0	0	115.7	D3	D3-G6 PolarHBondContact O-N 3.31Å
7	F	28.7	Very low	33.1	Very low	192 Å²	192	141.2 Å²	141.2	84%	0.842	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	-8.8	-160.5	-101.2	-86.9	0	0	0	116.9
8	R	30.4	Very low	33.1	Very low	235 Å²	235	138.1 Å²	138.1	89%	0.887	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	-10.8	-176.4	-75.1	-172.5	172.4	-175.1	-0.5	115.4
9	T	32	Very low	33.3	Very low	98 Å²	98	135.9 Å²	135.9	60%	0.601	70%	0.7	S	S	*	*	S	Bend	trans	-105	-3.7	-162.7	-33.9	0	0	0	0	114.6
10	V	30.7	Very low	33.3	Very low	110 Å²	110	138.5 Å²	138.5	67%	0.667	70%	0.702	S	S	*	*	S	Bend	trans	-98.2	-36.2	-168.5	-175.8	0	0	0	0	113.6	F12	V10-F12 PolarHBondContact O-N 3.22Å
11	V	33.1	Very low	33.3	Very low	126 Å²	126	137.7 Å²	137.7	76%	0.764	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-19.1	-164.4	-174.5	0	0	0	0	114.3
12	F	35.2	Very low	33.4	Very low	148 Å²	148	131.8 Å²	131.8	65%	0.649	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-13.5	-175.2	-85.6	-87	0	0	0	115.8	V10 Q14 S15 Y18	V10-F12 PolarHBondContact O-N 3.22Å; F12-Q14 PolarHBondContact O-N 3.09Å; F12-S15 PolarHBondContact O-N 2.85Å; F12-Y18 HydrophobicContact CB-CD2 4.29Å; F12-Y18 HydrophobicContact CB-CE2 4.33Å
13	K	37.2	Very low	33.6	Very low	137 Å²	137	136.3 Å²	136.3	60%	0.596	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	11.8	-170.3	-68.5	-168.7	174.6	-172.4	0	116.2	Y18	K13-Y18 HydrophobicContact CG-CE1 4.34Å
14	Q	32.9	Very low	33.7	Very low	194 Å²	194	133.9 Å²	133.9	91%	0.907	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.8	13.4	177.6	-66.5	-173.7	-10.2	0	0	113.4	F12	F12-Q14 PolarHBondContact O-N 3.09Å
15	S	30.3	Very low	33.3	Very low	49 Å²	49	131.1 Å²	131.1	34%	0.343	66%	0.659	S	S	.	*			trans	-89.6	134.5	175.6	-178.6	0	0	0	0	111.4	F12 F17 Y18	F12-S15 PolarHBondContact O-N 2.85Å; S15-F17 PolarHBondContact O-N 2.89Å; S15-F17 PolarHBondContact OG-N 3.14Å; S15-Y18 VanDerWaalsContact O-CB 3.29Å; S15-Y18 WeakPolarHBondContact O-CB 3.47Å; S15-Y18 PolarHBondContact O-N 3.34Å
16	P	32.4	Very low	33	Very low	112 Å²	112	131.6 Å²	131.6	73%	0.727	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.3	-14.5	171.3	-26.2	35.6	0	0	0	115
17	F	34.5	Very low	32.8	Very low	156 Å²	156	137.8 Å²	137.8	68%	0.684	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	-24.8	170.1	-94	-98.2	0	0	0	113.4	S15 Y20 L21	S15-F17 PolarHBondContact O-N 2.89Å; S15-F17 PolarHBondContact OG-N 3.14Å; F17-Y20 WeakPolarHBondContact O-CB 3.31Å; F17-Y20 PolarHBondContact O-N 2.89Å; F17-L21 PolarHBondContact O-N 2.95Å
18	Y	33	Very low	33	Very low	85 Å²	85	137.3 Å²	137.3	33%	0.333	68%	0.683	S	S	.	*	H	α-helix	trans	-70.4	-42.4	-178.5	-155.2	-100.2	0	0	0	110.7	F12 K13 S15 Y20 L21 N22	F12-Y18 HydrophobicContact CB-CD2 4.29Å; F12-Y18 HydrophobicContact CB-CE2 4.33Å; K13-Y18 HydrophobicContact CG-CE1 4.34Å; S15-Y18 VanDerWaalsContact O-CB 3.29Å; S15-Y18 WeakPolarHBondContact O-CB 3.47Å; S15-Y18 PolarHBondContact O-N 3.34Å; Y18-Y20 PolarHBondContact O-N 3.29Å; Y18-L21 PolarHBondContact O-N 2.64Å; Y18-N22 WeakPolarHBondContact O-CB 3.28Å; Y18-N22 PolarHBondContact O-N 2.93Å
19	D	38.3	Very low	33	Very low	98 Å²	98	135.1 Å²	135.1	52%	0.524	68%	0.683	S	S	.	*	H	α-helix	trans	-66	-13.8	172.7	-71.9	-19.3	0	0	0	114	R23	D19-R23 WeakPolarHBondContact O-CD 3.4Å; D19-R23 WeakPolarHBondContact O-CG 3.3Å; D19-R23 PolarHBondContact O-NE 2.96Å
20	Y	33.4	Very low	32.9	Very low	187 Å²	187	137.3 Å²	137.3	73%	0.733	70%	0.695	S	S	*	*	H	α-helix	trans	-86	-36.1	173.4	-163.9	-93.9	0	0	0	111.6	F17 Y18	F17-Y20 WeakPolarHBondContact O-CB 3.31Å; F17-Y20 PolarHBondContact O-N 2.89Å; Y18-Y20 PolarHBondContact O-N 3.29Å
21	L	33	Very low	32.9	Very low	121 Å²	121	136.3 Å²	136.3	63%	0.634	70%	0.699	S	S	*	*	H	α-helix	trans	-77.3	-33	175.7	-68.8	167.8	0	0	0	112.4	F17 Y18 R23 S24	F17-L21 PolarHBondContact O-N 2.95Å; Y18-L21 PolarHBondContact O-N 2.64Å; L21-R23 PolarHBondContact O-N 2.91Å; L21-R23 VanDerWaalsContact O-N 3.15Å; L21-S24 PolarHBondContact O-OG 2.82Å
22	N	36.6	Very low	32.7	Very low	105 Å²	105	137.8 Å²	137.8	56%	0.561	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	7.5	174.1	-92.9	13.4	0	0	0	114.6	Y18	Y18-N22 WeakPolarHBondContact O-CB 3.28Å; Y18-N22 PolarHBondContact O-N 2.93Å
23	R	34.1	Very low	32.6	Very low	197 Å²	197	140.1 Å²	140.1	74%	0.743	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.7	-2.6	179.7	-76.6	175.5	-164.9	-147.7	-0.3	114.8	D19 L21 N25	D19-R23 WeakPolarHBondContact O-CD 3.4Å; D19-R23 WeakPolarHBondContact O-CG 3.3Å; D19-R23 PolarHBondContact O-NE 2.96Å; L21-R23 PolarHBondContact O-N 2.91Å; L21-R23 VanDerWaalsContact O-N 3.15Å; R23-N25 PolarHBondContact O-N 3.07Å
24	S	33.3	Very low	32.2	Very low	90 Å²	90	142.3 Å²	142.3	63%	0.629	73%	0.725	S	S	*	*			trans	-94.6	79.1	174.1	49.7	0	0	0	0	111.2	L21 V26	L21-S24 PolarHBondContact O-OG 2.82Å; S24-V26 PolarHBondContact O-N 2.9Å; S24-V26 VanDerWaalsContact O-N 3.15Å
25	N	29.1	Very low	31.9	Very low	138 Å²	138	140.1 Å²	140.1	74%	0.738	72%	0.719	S	S	*	*			trans	-71.7	97.7	176.8	-77.6	16	0	0	0	111.7	R23	R23-N25 PolarHBondContact O-N 3.07Å
26	V	30.6	Very low	31.8	Very low	138 Å²	138	145.7 Å²	145.7	84%	0.836	74%	0.744	S	S	*	*			trans	-145.3	50.5	166.9	-160.4	0	0	0	0	110.6	S24	S24-V26 PolarHBondContact O-N 2.9Å; S24-V26 VanDerWaalsContact O-N 3.15Å
27	L	30.8	Very low	31.8	Very low	178 Å²	178	144 Å²	144	93%	0.932	73%	0.731	S	S	*	*	S	Bend	trans	-140.1	14.8	-172.9	-99.4	171.1	0	0	0	115
28	E	31.8	Very low	31.6	Very low	182 Å²	182	146.3 Å²	146.3	85%	0.85	74%	0.744	S	S	*	*	S	Bend	trans	-136.9	17.7	-166	-151.1	164.7	-144.8	0	0	114.2
29	E	30.6	Very low	31.7	Very low	189 Å²	189	147.6 Å²	147.6	88%	0.883	77%	0.765	S	S	*	*	S	Bend	trans	-130.6	12.1	-169.2	-148.7	174.5	-166	0	0	115.8
30	V	31	Very low	31.5	Very low	143 Å²	143	146.8 Å²	146.8	87%	0.867	76%	0.764	S	S	*	*	S	Bend	trans	-136.3	40.4	177.2	-155	0	0	0	0	112.5
31	A	29.2	Very low	31.4	Very low	90 Å²	90	144.5 Å²	144.5	74%	0.744	76%	0.76	S	S	*	*	S	Bend	trans	-91.2	-26.3	176.7	0	0	0	0	0	113.8
32	D	29.5	Very low	31.2	Very low	156 Å²	156	142.7 Å²	142.7	83%	0.834	76%	0.757	S	S	*	*			trans	-109	51.5	-167.4	-67.2	-34.3	0	0	0	113.6
33	K	33.7	Very low	31	Very low	197 Å²	197	142.4 Å²	142.4	86%	0.857	75%	0.751	S	S	*	*			trans	-133.8	90.2	163.5	-75.1	-161.5	174.7	-178	0	111.8
34	E	27.9	Very low	30.9	Very low	183 Å²	183	136 Å²	136	86%	0.855	73%	0.734	S	S	*	*			trans	-60.5	150.3	169.2	-59.4	167.8	120.9	0	0	111.9
35	D	27	Very low	30.9	Very low	149 Å²	149	137.3 Å²	137.3	80%	0.797	73%	0.73	S	S	*	*	S	Bend	trans	62	149.6	161.6	-64.2	-13.8	0	0	0	120.6
36	I	28.6	Very low	31.1	Very low	166 Å²	166	135 Å²	135	85%	0.851	72%	0.715	S	S	*	*	S	Bend	trans	81.8	143.4	-176.4	-45.1	164.5	0	0	0	113.3
37	V	31.4	Very low	31.1	Very low	77 Å²	77	130.5 Å²	130.5	47%	0.467	69%	0.692	S	S	.	*			trans	80.8	40.3	176.6	-150.9	0	0	0	0	117.9	S39 T40	V37-S39 VanDerWaalsContact C-N 3.25Å; V37-S39 PolarHBondContact O-N 2.99Å; V37-T40 VanDerWaalsContact CG1-OG1 3.28Å; V37-T40 WeakPolarHBondContact CG1-OG1 3.23Å
38	E	31	Very low	31.3	Very low	204 Å²	204	127.2 Å²	127.2	95%	0.953	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	-10.8	168.1	-72.6	-163.8	124.2	0	0	115
39	S	34.2	Very low	31.4	Very low	111 Å²	111	123 Å²	123	78%	0.776	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.3	-2.2	-169.1	56.1	0	0	0	0	116.5	V37	V37-S39 VanDerWaalsContact C-N 3.25Å; V37-S39 PolarHBondContact O-N 2.99Å
40	T	33.9	Very low	31.7	Very low	82 Å²	82	115.5 Å²	115.5	50%	0.503	63%	0.628	S	S	.	*	S	Bend	trans	-117.6	-17.7	-172.5	-27.4	0	0	0	0	114.4	V37 S42 F43	V37-T40 VanDerWaalsContact CG1-OG1 3.28Å; V37-T40 WeakPolarHBondContact CG1-OG1 3.23Å; T40-S42 VanDerWaalsContact C-N 3.3Å; T40-S42 PolarHBondContact O-N 2.79Å; T40-F43 PolarHBondContact O-N 3.06Å
41	H	31.2	Very low	32	Very low	139 Å²	139	113.2 Å²	113.2	64%	0.644	61%	0.606	S	S	*	*	H	α-helix	trans	-69.8	-15.1	-169.7	-94.4	-68.7	0	0	0	116.1	T44	H41-T44 PolarHBondContact O-OG1 3.48Å
42	S	30.2	Very low	32.4	Very low	82 Å²	82	115 Å²	115	57%	0.573	60%	0.599	S	S	*	*	H	α-helix	trans	-74	-27.9	177.6	55.1	0	0	0	0	113.7	T40	T40-S42 VanDerWaalsContact C-N 3.3Å; T40-S42 PolarHBondContact O-N 2.79Å
43	F	31	Very low	32.7	Very low	100 Å²	100	110 Å²	110	44%	0.439	57%	0.572	S	S	.	*	H	α-helix	trans	-78.3	-40.2	-173.2	-106.6	-115	0	0	0	113.2	T40 E45 E46 A47 L408 F496	T40-F43 PolarHBondContact O-N 3.06Å; F43-E45 VanDerWaalsContact C-N 3.34Å; F43-E46 PolarHBondContact O-N 2.86Å; F43-A47 PolarHBondContact O-N 3.29Å; F43-L408 HydrophobicContact CE1-CD1 4.35Å; F43-F496 AromaticContact CE1-CE2 3.74Å; F43-F496 HydrophobicContact CE1-CE2 3.74Å; F43-F496 HydrophobicContact CZ-CE2 4.02Å
44	T	33.4	Very low	32.9	Very low	62 Å²	62	106.1 Å²	106.1	38%	0.38	56%	0.559	S	S	.	*	H	α-helix	trans	-66.8	-36.4	178.7	44.5	0	0	0	0	111.7	H41 E46 A47 L48	H41-T44 PolarHBondContact O-OG1 3.48Å; T44-E46 PolarHBondContact O-N 3.37Å; T44-A47 PolarHBondContact O-N 3.1Å; T44-L48 WeakPolarHBondContact O-CB 3.2Å; T44-L48 WeakPolarHBondContact O-CG 3.26Å; T44-L48 PolarHBondContact O-N 3.38Å
45	E	32.7	Very low	33.4	Very low	117 Å²	117	100.8 Å²	100.8	55%	0.547	54%	0.542	S	S	.	.	H	α-helix	trans	-67.7	-33.5	178.9	-148.3	-164	-129.1	0	0	113	F43 K49	F43-E45 VanDerWaalsContact C-N 3.34Å; E45-K49 VanDerWaalsContact O-CD 3.26Å; E45-K49 WeakPolarHBondContact O-CD 3.23Å; E45-K49 WeakPolarHBondContact O-CE 3.44Å; E45-K49 VanDerWaalsContact O-CG 3.24Å; E45-K49 WeakPolarHBondContact O-CG 3.41Å; E45-K49 PolarHBondContact O-N 3.01Å; E45-K49 IonicContact OE2-NZ 2.97Å; E45-K49 PolarHBondContact OE2-NZ 3.32Å
46	E	34.2	Very low	34.2	Very low	90 Å²	90	95.6 Å²	95.6	42%	0.421	52%	0.516	S	S	.	.	H	α-helix	trans	-74.9	-38.8	173.4	-68.2	-162.3	155.7	0	0	112.5	F43 T44 L48 K49 G50 P495	F43-E46 PolarHBondContact O-N 2.86Å; T44-E46 PolarHBondContact O-N 3.37Å; E46-L48 PolarHBondContact O-N 2.94Å; E46-K49 PolarHBondContact O-N 3.05Å; E46-G50 PolarHBondContact O-N 2.87Å; E46-G50 VanDerWaalsContact O-N 3.1Å; E46-P495 WeakPolarHBondContact OE1-CG 3.3Å
47	A	30.4	Very low	34.8	Very low	44 Å²	44	89.8 Å²	89.8	36%	0.364	48%	0.483	S	S	.	.	H	α-helix	trans	-64.7	-38.1	175.7	0	0	0	0	0	112.5	F43 T44 G50 K51 L404	F43-A47 PolarHBondContact O-N 3.29Å; T44-A47 PolarHBondContact O-N 3.1Å; A47-G50 PolarHBondContact O-N 3.22Å; A47-K51 PolarHBondContact O-N 2.82Å; A47-L404 HydrophobicContact CB-CD1 4.25Å
48	L	33.7	Very low	35.1	Very low	108 Å²	108	90.9 Å²	90.9	57%	0.565	48%	0.48	S	S	*	.	H	α-helix	trans	-61.8	-47.6	173.4	-81	163.4	0	0	0	111.8	T44 E46 G50 K51 E52	T44-L48 WeakPolarHBondContact O-CB 3.2Å; T44-L48 WeakPolarHBondContact O-CG 3.26Å; T44-L48 PolarHBondContact O-N 3.38Å; E46-L48 PolarHBondContact O-N 2.94Å; L48-G50 PolarHBondContact O-N 3.49Å; L48-K51 PolarHBondContact O-N 2.77Å; L48-E52 PolarHBondContact O-N 2.86Å
49	K	35.1	Very low	35.8	Very low	93 Å²	93	84.7 Å²	84.7	40%	0.404	45%	0.453	S	S	.	.	H	α-helix	trans	-58	-35.7	175.5	-69.6	161.2	-164.4	158.8	0	112.2	E45 E46 E52 L53	E45-K49 VanDerWaalsContact O-CD 3.26Å; E45-K49 WeakPolarHBondContact O-CD 3.23Å; E45-K49 WeakPolarHBondContact O-CE 3.44Å; E45-K49 VanDerWaalsContact O-CG 3.24Å; E45-K49 WeakPolarHBondContact O-CG 3.41Å; E45-K49 PolarHBondContact O-N 3.01Å; E45-K49 IonicContact OE2-NZ 2.97Å; E45-K49 PolarHBondContact OE2-NZ 3.32Å; E46-K49 PolarHBondContact O-N 3.05Å; K49-E52 PolarHBondContact O-N 3.14Å; K49-L53 WeakPolarHBondContact O-CB 3.43Å; K49-L53 PolarHBondContact O-N 3.35Å
50	G	35.9	Very low	36.3	Very low	33 Å²	33	80 Å²	80	34%	0.34	42%	0.42	S	S	.	.	H	α-helix	trans	-61.9	-42.5	173	0	0	0	0	0	113.8	E46 A47 L48 L53 I54	E46-G50 PolarHBondContact O-N 2.87Å; E46-G50 VanDerWaalsContact O-N 3.1Å; A47-G50 PolarHBondContact O-N 3.22Å; L48-G50 PolarHBondContact O-N 3.49Å; G50-L53 WeakPolarHBondContact O-CB 3.49Å; G50-L53 PolarHBondContact O-N 2.88Å; G50-I54 PolarHBondContact O-N 3.43Å
51	K	37.5	Very low	36.6	Very low	94 Å²	94	78 Å²	78	41%	0.409	41%	0.407	S	S	.	.	H	α-helix	trans	-68.3	-38.9	175.5	-76	-173.8	168.9	-173.3	0	112.5	A47 L48 L53 S55 Q396 C400	A47-K51 PolarHBondContact O-N 2.82Å; L48-K51 PolarHBondContact O-N 2.77Å; K51-L53 VanDerWaalsContact C-N 3.34Å; K51-S55 PolarHBondContact O-N 2.99Å; K51-S55 PolarHBondContact O-OG 3.22Å; K51-Q396 PolarHBondContact NZ-O 3.03Å; K51-C400 WeakPolarHBondContact CE-SG 3.39Å; K51-C400 VanDerWaalsContact NZ-CB 3.3Å
52	E	38	Very low	37.3	Very low	129 Å²	129	74.1 Å²	74.1	60%	0.603	39%	0.388	S	S	*	.	H	α-helix	trans	-64	-38.7	172.5	-68.3	-165.7	135.2	0	0	111.9	L48 K49 I54 S55 T56	L48-E52 PolarHBondContact O-N 2.86Å; K49-E52 PolarHBondContact O-N 3.14Å; E52-I54 PolarHBondContact O-N 2.82Å; E52-S55 PolarHBondContact O-OG 3.46Å; E52-S55 VanDerWaalsContact O-OG 3.12Å; E52-T56 VanDerWaalsContact O-CB 3.29Å; E52-T56 WeakPolarHBondContact O-CB 3.47Å; E52-T56 VanDerWaalsContact O-CG2 3.28Å; E52-T56 WeakPolarHBondContact O-CG2 3.37Å; E52-T56 PolarHBondContact O-N 3.37Å; E52-T56 PolarHBondContact O-OG1 3.04Å
53	L	35.9	Very low	38.1	Very low	49 Å²	49	76.2 Å²	76.2	26%	0.257	38%	0.383	S	S	.	.	H	α-helix	trans	-58.6	-47.2	179.2	-108.6	161	0	0	0	112.7	K49 G50 K51 T56 W57 E321	K49-L53 WeakPolarHBondContact O-CB 3.43Å; K49-L53 PolarHBondContact O-N 3.35Å; G50-L53 WeakPolarHBondContact O-CB 3.49Å; G50-L53 PolarHBondContact O-N 2.88Å; K51-L53 VanDerWaalsContact C-N 3.34Å; L53-T56 PolarHBondContact O-OG1 3.48Å; L53-W57 WeakPolarHBondContact O-CB 3.34Å; L53-W57 PolarHBondContact O-N 2.88Å; L53-E321 HydrophobicContact CD2-CB 4Å
54	I	36.6	Very low	38.7	Very low	117 Å²	117	71.8 Å²	71.8	60%	0.6	36%	0.364	S	S	*	.	H	α-helix	trans	-71.1	-43.2	-176.8	-61.8	173.2	0	0	0	111.5	G50 E52 W57 Y58	G50-I54 PolarHBondContact O-N 3.43Å; E52-I54 PolarHBondContact O-N 2.82Å; I54-W57 PolarHBondContact O-N 2.96Å; I54-Y58 PolarHBondContact O-N 3Å
55	S	39.7	Very low	39	Very low	71 Å²	71	71.4 Å²	71.4	50%	0.497	37%	0.367	S	S	.	.	H	α-helix	trans	-66	-45.3	177.9	54.7	0	0	0	0	111.7	K51 E52 W57 Y58 D59	K51-S55 PolarHBondContact O-N 2.99Å; K51-S55 PolarHBondContact O-OG 3.22Å; E52-S55 PolarHBondContact O-OG 3.46Å; E52-S55 VanDerWaalsContact O-OG 3.12Å; S55-W57 PolarHBondContact O-N 3.48Å; S55-Y58 PolarHBondContact O-N 2.95Å; S55-D59 PolarHBondContact O-N 2.93Å; S55-D59 VanDerWaalsContact O-N 3.12Å
56	T	43.5	Very low	39.7	Very low	40 Å²	40	69.6 Å²	69.6	25%	0.245	36%	0.356	C	S	.	.	H	α-helix	trans	-68.9	-31.1	175.5	61.3	0	0	0	0	113.1	E52 L53 S60 R318	E52-T56 VanDerWaalsContact O-CB 3.29Å; E52-T56 WeakPolarHBondContact O-CB 3.47Å; E52-T56 VanDerWaalsContact O-CG2 3.28Å; E52-T56 WeakPolarHBondContact O-CG2 3.37Å; E52-T56 PolarHBondContact O-N 3.37Å; E52-T56 PolarHBondContact O-OG1 3.04Å; L53-T56 PolarHBondContact O-OG1 3.48Å; T56-S60 WeakPolarHBondContact O-CB 3.2Å; T56-S60 PolarHBondContact O-N 3.35Å; T56-S60 PolarHBondContact O-OG 2.85Å; T56-R318 PolarHBondContact OG1-NE 3.05Å
57	W	40.4	Very low	40.2	Very low	44 Å²	44	67.7 Å²	67.7	17%	0.167	35%	0.347	C	S	.	.	H	α-helix	trans	-58.4	-51.9	171.9	179.9	95.3	0	0	0	110.9	L53 I54 S55 S60 L61 C125 C319 C322	L53-W57 WeakPolarHBondContact O-CB 3.34Å; L53-W57 PolarHBondContact O-N 2.88Å; I54-W57 PolarHBondContact O-N 2.96Å; S55-W57 PolarHBondContact O-N 3.48Å; W57-S60 PolarHBondContact O-N 3.32Å; W57-L61 HydrophobicContact CD2-CD1 3.98Å; W57-L61 HydrophobicContact CE3-CD1 3.83Å; W57-L61 HydrophobicContact CH2-CD1 3.38Å; W57-L61 HydrophobicContact CZ2-CD1 3.54Å; W57-L61 HydrophobicContact CZ3-CD1 3.53Å; W57-L61 WeakPolarHBondContact O-CB 3.27Å; W57-L61 PolarHBondContact O-N 3.4Å; W57-C125 HydrophobicContact CZ2-CB 4.46Å; W57-C319 VanDerWaalsContact CD1-SG 3.56Å; W57-C319 PolarHBondContact NE1-SG 2.92Å; W57-C322 VanDerWaalsContact CD1-CB 3.4Å; W57-C322 HydrophobicContact CG-CB 4.17Å
58	Y	39.2	Very low	40.7	Very low	100 Å²	100	67.9 Å²	67.9	39%	0.392	34%	0.342	S	S	.	.	H	α-helix	trans	-64	-44.7	-179	-175.1	-91.1	0	0	0	112.5	I54 S55 S60 L61 K62 Y159	I54-Y58 PolarHBondContact O-N 3Å; S55-Y58 PolarHBondContact O-N 2.95Å; Y58-S60 VanDerWaalsContact C-N 3.34Å; Y58-S60 PolarHBondContact O-N 2.87Å; Y58-L61 WeakPolarHBondContact O-CB 3.22Å; Y58-L61 PolarHBondContact O-N 3.45Å; Y58-K62 WeakPolarHBondContact O-CB 3.37Å; Y58-K62 PolarHBondContact O-N 2.94Å; Y58-Y159 HydrophobicContact CD1-CE1 4.3Å; Y58-Y159 AromaticContact CE1-CD1 3.7Å; Y58-Y159 HydrophobicContact CE1-CD1 3.7Å; Y58-Y159 AromaticContact CE1-CE1 3.73Å; Y58-Y159 HydrophobicContact CE1-CE1 3.73Å; Y58-Y159 AromaticContact CZ-CD1 3.78Å; Y58-Y159 AromaticContact CZ-CE1 4Å; Y58-Y159 WeakPolarHBondContact OH-CD1 3.4Å
59	D	45.9	Very low	41.1	Very low	73 Å²	73	66.8 Å²	66.8	39%	0.39	34%	0.342	S	S	.	.	H	α-helix	trans	-67.9	-34.5	178	-117.8	14	0	0	0	111.9	S55 K62 R63	S55-D59 PolarHBondContact O-N 2.93Å; S55-D59 VanDerWaalsContact O-N 3.12Å; D59-K62 PolarHBondContact O-N 3.46Å; D59-R63 VanDerWaalsContact O-CG 3.31Å; D59-R63 WeakPolarHBondContact O-CG 3.49Å; D59-R63 PolarHBondContact O-N 3.38Å
60	S	42.8	Very low	41.5	Very low	12 Å²	12	63.9 Å²	63.9	8%	0.084	33%	0.329	C	S	.	.	H	α-helix	trans	-68.7	-36.6	173.6	-53.8	0	0	0	0	111.4	T56 W57 Y58 R63 M64 C315 R318	T56-S60 WeakPolarHBondContact O-CB 3.2Å; T56-S60 PolarHBondContact O-N 3.35Å; T56-S60 PolarHBondContact O-OG 2.85Å; W57-S60 PolarHBondContact O-N 3.32Å; Y58-S60 VanDerWaalsContact C-N 3.34Å; Y58-S60 PolarHBondContact O-N 2.87Å; S60-R63 PolarHBondContact O-N 3.05Å; S60-M64 VanDerWaalsContact O-CB 3.29Å; S60-M64 WeakPolarHBondContact O-CB 3.31Å; S60-M64 PolarHBondContact O-N 2.9Å; S60-C315 WeakPolarHBondContact CB-SG 3.3Å; S60-R318 PolarHBondContact OG-NH1 3.16Å
61	L	40.8	Very low	41.8	Very low	42 Å²	42	63.3 Å²	63.3	22%	0.22	32%	0.32	C	S	.	.	H	α-helix	trans	-62.4	-44.7	172.6	-121.8	164	0	0	0	111.8	W57 Y58 M64 A65 F118 V122	W57-L61 HydrophobicContact CD2-CD1 3.98Å; W57-L61 HydrophobicContact CE3-CD1 3.83Å; W57-L61 HydrophobicContact CH2-CD1 3.38Å; W57-L61 HydrophobicContact CZ2-CD1 3.54Å; W57-L61 HydrophobicContact CZ3-CD1 3.53Å; W57-L61 WeakPolarHBondContact O-CB 3.27Å; W57-L61 PolarHBondContact O-N 3.4Å; Y58-L61 WeakPolarHBondContact O-CB 3.22Å; Y58-L61 PolarHBondContact O-N 3.45Å; L61-M64 PolarHBondContact O-N 2.92Å; L61-A65 PolarHBondContact O-N 2.7Å; L61-F118 HydrophobicContact CD2-CE1 4.11Å; L61-F118 HydrophobicContact CD2-CZ 3.62Å; L61-F118 HydrophobicContact CG-CZ 3.89Å; L61-V122 HydrophobicContact CD2-CG2 4.47Å
62	K	45.8	Very low	41.9	Very low	57 Å²	57	63.5 Å²	63.5	25%	0.248	32%	0.324	C	S	.	.	H	α-helix	trans	-64.5	-44.8	177.4	-178.7	-179.1	171.6	-168.2	0	111.6	Y58 D59 A65 Y66	Y58-K62 WeakPolarHBondContact O-CB 3.37Å; Y58-K62 PolarHBondContact O-N 2.94Å; D59-K62 PolarHBondContact O-N 3.46Å; K62-A65 PolarHBondContact O-N 2.84Å; K62-Y66 HydrophobicContact CG-CE2 4.31Å; K62-Y66 WeakPolarHBondContact O-CD2 3.24Å; K62-Y66 PolarHBondContact O-N 3.02Å
63	R	48.4	Very low	42.2	Very low	126 Å²	126	61.5 Å²	61.5	48%	0.475	32%	0.315	S	S	.	.	H	α-helix	trans	-62.6	-44.4	172	-70.1	-178.4	-157.1	-165.4	3.2	111.6	D59 S60 A65 Y66 E67 E311	D59-R63 VanDerWaalsContact O-CG 3.31Å; D59-R63 WeakPolarHBondContact O-CG 3.49Å; D59-R63 PolarHBondContact O-N 3.38Å; S60-R63 PolarHBondContact O-N 3.05Å; R63-A65 VanDerWaalsContact C-N 3.29Å; R63-A65 PolarHBondContact O-N 2.98Å; R63-Y66 PolarHBondContact O-N 2.88Å; R63-Y66 VanDerWaalsContact O-N 3.09Å; R63-E67 PolarHBondContact O-N 3.48Å; R63-E311 WeakPolarHBondContact CD-OE2 3.12Å; R63-E311 IonicContact CZ-OE2 3.65Å; R63-E311 IonicContact NE-OE2 3.6Å; R63-E311 IonicContact NH1-OE1 2.67Å; R63-E311 IonicContact NH1-OE2 2.78Å; R63-E311 PolarHBondContact NH1-OE2 3.2Å
64	M	42	Very low	42.8	Very low	7 Å²	7	59.6 Å²	59.6	3%	0.034	30%	0.304	C	S	.	.	H	α-helix	trans	-55.9	-44	176.4	178.2	174	-42.7	0	0	111.3	S60 L61 Y66 E67 L68 F118 L312 C315	S60-M64 VanDerWaalsContact O-CB 3.29Å; S60-M64 WeakPolarHBondContact O-CB 3.31Å; S60-M64 PolarHBondContact O-N 2.9Å; L61-M64 PolarHBondContact O-N 2.92Å; M64-Y66 VanDerWaalsContact C-N 3.29Å; M64-Y66 PolarHBondContact O-N 2.93Å; M64-E67 CarbonylContact O-C 3.56Å; M64-E67 PolarHBondContact O-N 3.36Å; M64-L68 HydrophobicContact CG-CD1 3.9Å; M64-L68 WeakPolarHBondContact O-CB 3.44Å; M64-L68 PolarHBondContact O-N 3.26Å; M64-L68 HydrophobicContact SD-CD1 4.3Å; M64-F118 HydrophobicContact CE-CD1 4.37Å; M64-F118 HydrophobicContact CE-CD2 3.45Å; M64-F118 VanDerWaalsContact CE-CD2 3.45Å; M64-F118 HydrophobicContact CE-CE1 4.21Å; M64-F118 HydrophobicContact CE-CE2 3.22Å; M64-F118 HydrophobicContact CE-CG 4.01Å; M64-F118 HydrophobicContact CE-CZ 3.64Å; M64-F118 HydrophobicContact SD-CD1 3.48Å; M64-F118 WeakPolarHBondContact SD-CD1 3.33Å; M64-F118 HydrophobicContact SD-CD2 3.7Å; M64-F118 HydrophobicContact SD-CE1 3.34Å; M64-F118 WeakPolarHBondContact SD-CE1 3.43Å; M64-F118 HydrophobicContact SD-CE2 3.55Å; M64-F118 VanDerWaalsContact SD-CE2 3.55Å; M64-F118 HydrophobicContact SD-CG 3.64Å; M64-F118 HydrophobicContact SD-CZ 3.36Å; M64-F118 WeakPolarHBondContact SD-CZ 3.32Å; M64-L312 HydrophobicContact CE-CD1 3.71Å; M64-L312 HydrophobicContact CE-CG 4.41Å; M64-L312 HydrophobicContact CG-CD1 3.63Å; M64-L312 HydrophobicContact SD-CD1 3.5Å; M64-L312 WeakPolarHBondContact SD-CD1 3.21Å; M64-C315 HydrophobicContact CE-CB 3.47Å; M64-C315 VanDerWaalsContact CE-CB 3.47Å; M64-C315 VanDerWaalsContact CE-SG 3.6Å
65	A	40.7	Very low	43.1	Very low	54 Å²	54	59 Å²	59	45%	0.446	30%	0.299	S	S	.	.	H	α-helix	trans	-59.6	-38.7	178.6	0	0	0	0	0	112.6	L61 K62 R63 C69	L61-A65 PolarHBondContact O-N 2.7Å; K62-A65 PolarHBondContact O-N 2.84Å; R63-A65 VanDerWaalsContact C-N 3.29Å; R63-A65 PolarHBondContact O-N 2.98Å; A65-C69 PolarHBondContact O-N 2.85Å; A65-C69 PolarHBondContact O-SG 3.37Å; A65-C69 VanDerWaalsContact O-SG 3.41Å
66	Y	46.3	Very low	43.1	Very low	78 Å²	78	60.9 Å²	60.9	31%	0.306	30%	0.302	S	S	.	.	H	α-helix	trans	-69.1	-44.9	173.2	-73.4	-67.3	0	0	0	112.4	K62 R63 M64 L68 C69 F70 L170	K62-Y66 HydrophobicContact CG-CE2 4.31Å; K62-Y66 WeakPolarHBondContact O-CD2 3.24Å; K62-Y66 PolarHBondContact O-N 3.02Å; R63-Y66 PolarHBondContact O-N 2.88Å; R63-Y66 VanDerWaalsContact O-N 3.09Å; M64-Y66 VanDerWaalsContact C-N 3.29Å; M64-Y66 PolarHBondContact O-N 2.93Å; Y66-L68 VanDerWaalsContact C-N 3.3Å; Y66-L68 PolarHBondContact O-N 2.92Å; Y66-C69 PolarHBondContact O-N 3.46Å; Y66-F70 PolarHBondContact O-N 3.11Å; Y66-L170 HydrophobicContact CD1-CD1 3.9Å; Y66-L170 HydrophobicContact CD1-CD2 4.16Å; Y66-L170 HydrophobicContact CD2-CD1 4.07Å; Y66-L170 HydrophobicContact CE1-CD1 3.57Å; Y66-L170 HydrophobicContact CE1-CD2 3.53Å; Y66-L170 HydrophobicContact CE1-CG 4.23Å; Y66-L170 HydrophobicContact CE2-CD1 3.75Å; Y66-L170 HydrophobicContact CG-CD1 4.15Å; Y66-L170 VanDerWaalsContact CZ-CD1 3.49Å
67	E	45.9	Very low	43.2	Very low	51 Å²	51	61.2 Å²	61.2	24%	0.238	30%	0.299	C	S	.	.	H	α-helix	trans	-67.9	-27.8	177.8	-68	-64.4	178.8	0	0	112.8	R63 M64 F70 C71 A308	R63-E67 PolarHBondContact O-N 3.48Å; M64-E67 CarbonylContact O-C 3.56Å; M64-E67 PolarHBondContact O-N 3.36Å; E67-F70 PolarHBondContact O-N 2.93Å; E67-F70 WeakPolarHBondContact OE2-CD1 3.48Å; E67-C71 VanDerWaalsContact O-CB 3.25Å; E67-C71 WeakPolarHBondContact O-CB 3.44Å; E67-C71 PolarHBondContact O-N 3.5Å; E67-C71 PolarHBondContact O-SG 2.98Å; E67-A308 HydrophobicContact CB-CB 4.31Å; E67-A308 VanDerWaalsContact CD-CB 3.49Å; E67-A308 HydrophobicContact CG-CB 4.11Å; E67-A308 WeakPolarHBondContact OE2-CB 3.26Å
68	L	39.7	Very low	43.6	Very low	48 Å²	48	61 Å²	61	25%	0.251	30%	0.301	S	S	.	.	H	α-helix	trans	-63.2	-50.5	170.9	-127.2	73	0	0	0	110.7	M64 Y66 F70 C71 I72 L115 L312	M64-L68 HydrophobicContact CG-CD1 3.9Å; M64-L68 WeakPolarHBondContact O-CB 3.44Å; M64-L68 PolarHBondContact O-N 3.26Å; M64-L68 HydrophobicContact SD-CD1 4.3Å; Y66-L68 VanDerWaalsContact C-N 3.3Å; Y66-L68 PolarHBondContact O-N 2.92Å; L68-F70 VanDerWaalsContact C-N 3.31Å; L68-F70 PolarHBondContact O-N 3.41Å; L68-C71 PolarHBondContact O-N 3.28Å; L68-I72 WeakPolarHBondContact O-CB 3.32Å; L68-I72 VanDerWaalsContact O-CG1 3.28Å; L68-I72 WeakPolarHBondContact O-CG1 3.46Å; L68-I72 PolarHBondContact O-N 3.31Å; L68-L115 HydrophobicContact CD1-CD2 3.69Å; L68-L115 HydrophobicContact CD1-CG 4.34Å; L68-L115 HydrophobicContact CD2-CD2 3.69Å; L68-L115 HydrophobicContact CG-CD2 3.8Å; L68-L312 HydrophobicContact CD1-CD1 4.08Å
69	C	42.3	Very low	43.8	Very low	84 Å²	84	62.2 Å²	62.2	57%	0.568	31%	0.308	S	S	*	.	H	α-helix	trans	-60.3	-43.5	176.3	-72.2	0	0	0	0	110.7	A65 Y66 I72 E73	A65-C69 PolarHBondContact O-N 2.85Å; A65-C69 PolarHBondContact O-SG 3.37Å; A65-C69 VanDerWaalsContact O-SG 3.41Å; Y66-C69 PolarHBondContact O-N 3.46Å; C69-I72 PolarHBondContact O-N 2.75Å; C69-E73 VanDerWaalsContact O-CB 3.28Å; C69-E73 WeakPolarHBondContact O-CB 3.45Å; C69-E73 PolarHBondContact O-N 3.45Å
70	F	45.2	Very low	43.7	Very low	32 Å²	32	64.3 Å²	64.3	14%	0.14	32%	0.319	C	S	.	.	H	α-helix	trans	-61.9	-42.8	174.9	-172.3	-119	0	0	0	112	Y66 E67 L68 R74 Y301 R304	Y66-F70 PolarHBondContact O-N 3.11Å; E67-F70 PolarHBondContact O-N 2.93Å; E67-F70 WeakPolarHBondContact OE2-CD1 3.48Å; L68-F70 VanDerWaalsContact C-N 3.31Å; L68-F70 PolarHBondContact O-N 3.41Å; F70-R74 WeakPolarHBondContact O-CB 3.25Å; F70-R74 PolarHBondContact O-N 2.82Å; F70-Y301 HydrophobicContact CE2-CE1 4.32Å; F70-Y301 HydrophobicContact CZ-CD1 4.26Å; F70-Y301 HydrophobicContact CZ-CE1 4.36Å; F70-R304 HydrophobicContact CE1-CB 4.36Å
71	C	41.5	Very low	43.9	Very low	22 Å²	22	65.2 Å²	65.2	15%	0.149	32%	0.323	C	S	.	.	H	α-helix	trans	-66.2	-39	175.8	-80.1	0	0	0	0	113.4	E67 L68 R74 H75	E67-C71 VanDerWaalsContact O-CB 3.25Å; E67-C71 WeakPolarHBondContact O-CB 3.44Å; E67-C71 PolarHBondContact O-N 3.5Å; E67-C71 PolarHBondContact O-SG 2.98Å; L68-C71 PolarHBondContact O-N 3.28Å; C71-R74 PolarHBondContact O-N 2.9Å; C71-H75 PolarHBondContact O-N 3.17Å
72	I	39	Very low	44	Very low	98 Å²	98	65.5 Å²	65.5	50%	0.503	33%	0.331	S	S	.	.	H	α-helix	trans	-68.7	-49.6	176.7	-69.4	164.6	0	0	0	110.3	L68 C69 R74 H75 I76	L68-I72 WeakPolarHBondContact O-CB 3.32Å; L68-I72 VanDerWaalsContact O-CG1 3.28Å; L68-I72 WeakPolarHBondContact O-CG1 3.46Å; L68-I72 PolarHBondContact O-N 3.31Å; C69-I72 PolarHBondContact O-N 2.75Å; I72-R74 PolarHBondContact O-N 3.34Å; I72-H75 PolarHBondContact O-N 3.2Å; I72-H75 VanDerWaalsContact O-N 3.13Å; I72-I76 HydrophobicContact CG2-CD1 4.46Å; I72-I76 WeakPolarHBondContact O-CG1 3.36Å; I72-I76 PolarHBondContact O-N 2.66Å; I72-I76 VanDerWaalsContact O-N 3.13Å
73	E	44.5	Very low	44.2	Very low	87 Å²	87	69.4 Å²	69.4	41%	0.407	35%	0.35	S	S	.	.	H	α-helix	trans	-57.8	-41.3	174.7	-173.5	-176.7	-170.5	0	0	110.8	C69 I76 R77	C69-E73 VanDerWaalsContact O-CB 3.28Å; C69-E73 WeakPolarHBondContact O-CB 3.45Å; C69-E73 PolarHBondContact O-N 3.45Å; E73-I76 WeakPolarHBondContact O-CB 3.47Å; E73-I76 PolarHBondContact O-N 2.96Å; E73-R77 HydrophobicContact CG-CG 4.45Å; E73-R77 WeakPolarHBondContact O-CG 3.18Å; E73-R77 PolarHBondContact O-N 3.48Å; E73-R77 IonicContact OE1-CZ 2.61Å; E73-R77 IonicContact OE1-NE 3.61Å; E73-R77 PolarHBondContact OE1-NE 3.13Å; E73-R77 IonicContact OE1-NH2 3.2Å; E73-R77 PolarHBondContact OE1-NH2 2.79Å
74	R	47.9	Very low	43.9	Very low	8 Å²	8	65.9 Å²	65.9	3%	0.03	34%	0.342	C	S	.	.	H	α-helix	trans	-65.2	-36.9	175.7	177.4	-179.9	-173.2	130.6	9.2	113.5	F70 C71 I72 I76 R77 L78 W105 Y301 S305	F70-R74 WeakPolarHBondContact O-CB 3.25Å; F70-R74 PolarHBondContact O-N 2.82Å; C71-R74 PolarHBondContact O-N 2.9Å; I72-R74 PolarHBondContact O-N 3.34Å; R74-I76 VanDerWaalsContact C-N 3.27Å; R74-I76 PolarHBondContact O-N 2.84Å; R74-R77 CarbonylContact O-C 3.56Å; R74-R77 PolarHBondContact O-N 3.06Å; R74-L78 HydrophobicContact CG-CD1 4.03Å; R74-L78 HydrophobicContact CG-CG 4.44Å; R74-L78 WeakPolarHBondContact O-CB 3.41Å; R74-L78 WeakPolarHBondContact O-CG 3.34Å; R74-L78 PolarHBondContact O-N 3.02Å; R74-W105 VanDerWaalsContact CD-CH2 3.49Å; R74-W105 VanDerWaalsContact CD-CZ2 3.47Å; R74-W105 HydrophobicContact CG-CH2 3.97Å; R74-W105 HydrophobicContact CG-CZ2 4.28Å; R74-Y301 VanDerWaalsContact CZ-O 3.23Å; R74-Y301 PolarHBondContact NH1-O 3.17Å; R74-Y301 PolarHBondContact NH2-O 2.89Å; R74-S305 VanDerWaalsContact CZ-CB 3.47Å; R74-S305 PolarHBondContact NH2-OG 3.43Å
75	H	44.3	Very low	44.1	Very low	104 Å²	104	67.8 Å²	67.8	48%	0.481	35%	0.352	S	S	.	.	H	α-helix	trans	-63.8	-36.6	173.4	-172.5	64.1	0	0	0	111.3	C71 I72 K79	C71-H75 PolarHBondContact O-N 3.17Å; I72-H75 PolarHBondContact O-N 3.2Å; I72-H75 VanDerWaalsContact O-N 3.13Å; H75-K79 PolarHBondContact NE2-NZ 3.22Å; H75-K79 WeakPolarHBondContact O-CG 3.36Å; H75-K79 PolarHBondContact O-N 3.29Å
76	I	39.4	Very low	44.4	Very low	111 Å²	111	73.7 Å²	73.7	57%	0.569	37%	0.368	S	S	*	.	H	α-helix	trans	-66	-46.7	171.8	-61.9	165.1	0	0	0	110.3	I72 E73 R74 L78 K79 L80	I72-I76 HydrophobicContact CG2-CD1 4.46Å; I72-I76 WeakPolarHBondContact O-CG1 3.36Å; I72-I76 PolarHBondContact O-N 2.66Å; I72-I76 VanDerWaalsContact O-N 3.13Å; E73-I76 WeakPolarHBondContact O-CB 3.47Å; E73-I76 PolarHBondContact O-N 2.96Å; R74-I76 VanDerWaalsContact C-N 3.27Å; R74-I76 PolarHBondContact O-N 2.84Å; I76-L78 VanDerWaalsContact C-N 3.34Å; I76-L78 PolarHBondContact O-N 3.39Å; I76-K79 PolarHBondContact O-N 3.15Å; I76-L80 PolarHBondContact O-N 3.36Å
77	R	46.4	Very low	44.5	Very low	48 Å²	48	71.8 Å²	71.8	18%	0.181	37%	0.366	C	S	.	.	H	α-helix	trans	-65.3	-31.5	176.8	-68.5	170	177.9	-122.2	4.1	112.8	E73 R74 L80 L81 D181 Y301	E73-R77 HydrophobicContact CG-CG 4.45Å; E73-R77 WeakPolarHBondContact O-CG 3.18Å; E73-R77 PolarHBondContact O-N 3.48Å; E73-R77 IonicContact OE1-CZ 2.61Å; E73-R77 IonicContact OE1-NE 3.61Å; E73-R77 PolarHBondContact OE1-NE 3.13Å; E73-R77 IonicContact OE1-NH2 3.2Å; E73-R77 PolarHBondContact OE1-NH2 2.79Å; R74-R77 CarbonylContact O-C 3.56Å; R74-R77 PolarHBondContact O-N 3.06Å; R77-L80 VanDerWaalsContact O-CB 3.31Å; R77-L80 WeakPolarHBondContact O-CB 3.48Å; R77-L80 PolarHBondContact O-N 3.3Å; R77-L81 WeakPolarHBondContact O-CG 3.39Å; R77-L81 PolarHBondContact O-N 3.08Å; R77-D181 IonicContact CZ-OD2 2.58Å; R77-D181 IonicContact NH1-OD1 3.86Å; R77-D181 PolarHBondContact NH1-OD1 3.18Å; R77-D181 VanDerWaalsContact NH1-OD1 3.11Å; R77-D181 IonicContact NH1-OD2 3.19Å; R77-D181 PolarHBondContact NH1-OD2 3.41Å; R77-D181 IonicContact NH2-OD2 2.67Å; R77-D181 PolarHBondContact NH2-OD2 3.22Å; R77-Y301 PolarHBondContact NH1-OH 3.42Å
78	L	47.7	Very low	44.6	Very low	38 Å²	38	76.2 Å²	76.2	20%	0.199	40%	0.397	C	S	.	.	H	α-helix	trans	-72.5	-37.7	173.2	-83.8	166.2	0	0	0	112.1	R74 I76 L80 L81 A82 V101 W105	R74-L78 HydrophobicContact CG-CD1 4.03Å; R74-L78 HydrophobicContact CG-CG 4.44Å; R74-L78 WeakPolarHBondContact O-CB 3.41Å; R74-L78 WeakPolarHBondContact O-CG 3.34Å; R74-L78 PolarHBondContact O-N 3.02Å; I76-L78 VanDerWaalsContact C-N 3.34Å; I76-L78 PolarHBondContact O-N 3.39Å; L78-L80 VanDerWaalsContact C-N 3.26Å; L78-L80 PolarHBondContact O-N 2.95Å; L78-L81 HydrophobicContact CD2-CD1 4.16Å; L78-L81 PolarHBondContact O-N 3.12Å; L78-A82 WeakPolarHBondContact O-CB 3.36Å; L78-A82 PolarHBondContact O-N 3.45Å; L78-V101 HydrophobicContact CD2-CG1 4.27Å; L78-W105 HydrophobicContact CD1-CD2 3.48Å; L78-W105 VanDerWaalsContact CD1-CD2 3.48Å; L78-W105 HydrophobicContact CD1-CE3 3.27Å; L78-W105 HydrophobicContact CD1-CG 4.14Å; L78-W105 HydrophobicContact CD1-CH2 4.09Å; L78-W105 HydrophobicContact CD1-CZ2 4.28Å; L78-W105 HydrophobicContact CD1-CZ3 3.59Å
79	K	44.3	Very low	45.3	Very low	127 Å²	127	76 Å²	76	55%	0.552	40%	0.395	S	S	*	.	H	α-helix	trans	-62.3	-35	167.5	-75.7	174.8	175.3	176.3	0	111.8	H75 I76 A82 H83	H75-K79 PolarHBondContact NE2-NZ 3.22Å; H75-K79 WeakPolarHBondContact O-CG 3.36Å; H75-K79 PolarHBondContact O-N 3.29Å; I76-K79 PolarHBondContact O-N 3.15Å; K79-A82 PolarHBondContact O-N 2.86Å; K79-H83 PolarHBondContact O-N 3.45Å; K79-H83 VanDerWaalsContact O-N 3.11Å
80	L	43.8	Very low	46	Very low	117 Å²	117	72.5 Å²	72.5	61%	0.613	37%	0.371	S	S	*	.	H	α-helix	trans	-66	-43.2	171.7	-156.1	78.9	0	0	0	111.9	I76 R77 L78 A82 H83 V84	I76-L80 PolarHBondContact O-N 3.36Å; R77-L80 VanDerWaalsContact O-CB 3.31Å; R77-L80 WeakPolarHBondContact O-CB 3.48Å; R77-L80 PolarHBondContact O-N 3.3Å; L78-L80 VanDerWaalsContact C-N 3.26Å; L78-L80 PolarHBondContact O-N 2.95Å; L80-A82 PolarHBondContact O-N 2.95Å; L80-H83 CarbonylContact O-C 3.54Å; L80-H83 WeakPolarHBondContact O-CA 3.49Å; L80-H83 VanDerWaalsContact O-CB 3.29Å; L80-H83 WeakPolarHBondContact O-CB 3.44Å; L80-H83 PolarHBondContact O-N 2.98Å; L80-V84 PolarHBondContact O-N 3.25Å
81	L	45.2	Very low	46.7	Very low	31 Å²	31	72.3 Å²	72.3	16%	0.162	37%	0.372	C	S	.	.	H	α-helix	trans	-63.8	-37.6	174.5	-76.6	159.5	0	0	0	112.3	R77 L78 H83 V84 L85 L98	R77-L81 WeakPolarHBondContact O-CG 3.39Å; R77-L81 PolarHBondContact O-N 3.08Å; L78-L81 HydrophobicContact CD2-CD1 4.16Å; L78-L81 PolarHBondContact O-N 3.12Å; L81-H83 PolarHBondContact O-N 3.1Å; L81-V84 CarbonylContact O-C 3.55Å; L81-V84 WeakPolarHBondContact O-CA 3.41Å; L81-V84 WeakPolarHBondContact O-CB 3.36Å; L81-V84 PolarHBondContact O-N 2.72Å; L81-L85 PolarHBondContact O-N 2.83Å; L81-L98 HydrophobicContact CB-CD2 4.42Å; L81-L98 HydrophobicContact CD2-CD2 3.96Å
82	A	44.2	Very low	47.6	Very low	48 Å²	48	77.4 Å²	77.4	40%	0.397	40%	0.397	S	S	.	.	H	α-helix	trans	-64.7	-24.8	170.7	0	0	0	0	0	112.8	L78 K79 L80	L78-A82 WeakPolarHBondContact O-CB 3.36Å; L78-A82 PolarHBondContact O-N 3.45Å; K79-A82 PolarHBondContact O-N 2.86Å; L80-A82 PolarHBondContact O-N 2.95Å
83	H	48.7	Very low	48.5	Very low	138 Å²	138	77.1 Å²	77.1	64%	0.639	39%	0.394	S	S	*	.	H	α-helix	trans	-80.1	-29.7	170.1	-157.7	-44.9	0	0	0	112.5	K79 L80 L81 K86	K79-H83 PolarHBondContact O-N 3.45Å; K79-H83 VanDerWaalsContact O-N 3.11Å; L80-H83 CarbonylContact O-C 3.54Å; L80-H83 WeakPolarHBondContact O-CA 3.49Å; L80-H83 VanDerWaalsContact O-CB 3.29Å; L80-H83 WeakPolarHBondContact O-CB 3.44Å; L80-H83 PolarHBondContact O-N 2.98Å; L81-H83 PolarHBondContact O-N 3.1Å; H83-K86 PolarHBondContact O-N 2.97Å
84	V	43.6	Very low	48.9	Very low	52 Å²	52	73 Å²	73	32%	0.315	37%	0.374	S	S	.	.	H	α-helix	trans	-71.9	-34.4	171.4	174.5	0	0	0	0	111.5	L80 L81 K86 S87 L90 L294	L80-V84 PolarHBondContact O-N 3.25Å; L81-V84 CarbonylContact O-C 3.55Å; L81-V84 WeakPolarHBondContact O-CA 3.41Å; L81-V84 WeakPolarHBondContact O-CB 3.36Å; L81-V84 PolarHBondContact O-N 2.72Å; V84-K86 PolarHBondContact O-N 2.94Å; V84-K86 VanDerWaalsContact O-N 3.13Å; V84-S87 WeakPolarHBondContact O-CB 3.18Å; V84-S87 PolarHBondContact O-N 3.05Å; V84-S87 PolarHBondContact O-OG 3.4Å; V84-L90 HydrophobicContact CG1-CD2 4.21Å; V84-L294 HydrophobicContact CG1-CD1 4.42Å
85	L	46.5	Very low	49.4	Very low	48 Å²	48	75 Å²	75	25%	0.251	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-24.2	171.2	-90.7	175.4	0	0	0	113.6	L81 S87 L90 I95 L98	L81-L85 PolarHBondContact O-N 2.83Å; L85-S87 VanDerWaalsContact C-N 3.27Å; L85-S87 PolarHBondContact O-N 2.95Å; L85-L90 HydrophobicContact CD2-CD1 4.21Å; L85-I95 HydrophobicContact CD2-CG1 4.36Å; L85-I95 HydrophobicContact CD2-CG2 4.37Å; L85-L98 HydrophobicContact CD1-CB 4.15Å; L85-L98 HydrophobicContact CD2-CB 3.83Å; L85-L98 HydrophobicContact CD2-CD1 3.63Å; L85-L98 HydrophobicContact CD2-CG 4.38Å; L85-L98 HydrophobicContact CG-CB 4.12Å; L85-L98 HydrophobicContact CG-CD1 3.89Å
86	K	45.9	Very low	50	Low	177 Å²	177	72.8 Å²	72.8	77%	0.77	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	1.3	174.4	-65.3	-174.7	177	-176	0	113.8	H83 V84	H83-K86 PolarHBondContact O-N 2.97Å; V84-K86 PolarHBondContact O-N 2.94Å; V84-K86 VanDerWaalsContact O-N 3.13Å
87	S	48.1	Very low	50.7	Low	39 Å²	39	68 Å²	68	27%	0.273	36%	0.361	S	S	.	.			trans	-93.8	130.7	179.1	73.2	0	0	0	0	112.1	V84 L85 L89	V84-S87 WeakPolarHBondContact O-CB 3.18Å; V84-S87 PolarHBondContact O-N 3.05Å; V84-S87 PolarHBondContact O-OG 3.4Å; L85-S87 VanDerWaalsContact C-N 3.27Å; L85-S87 PolarHBondContact O-N 2.95Å; S87-L89 PolarHBondContact O-N 3.43Å
88	T	47.9	Very low	51	Low	143 Å²	143	66.1 Å²	66.1	88%	0.877	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	9.9	-171.2	49.3	0	0	0	0	115.4
89	L	54.3	Low	51.6	Low	43 Å²	43	69.9 Å²	69.9	23%	0.225	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-15.7	-172.6	-69.2	169.6	0	0	0	114.2	S87 R287 R290	S87-L89 PolarHBondContact O-N 3.43Å; L89-R287 PolarHBondContact O-NE 2.87Å; L89-R287 PolarHBondContact O-NH2 3.44Å; L89-R290 VanDerWaalsContact C-NH2 3.32Å; L89-R290 PolarHBondContact O-NH2 2.88Å
90	L	57.1	Low	52.2	Low	11 Å²	11	66.8 Å²	66.8	6%	0.058	36%	0.358	C	S	.	.			trans	-56.1	157.8	-179.4	-67.5	179.1	0	0	0	112.3	V84 L85 D94 I95 L98 R287 L294	V84-L90 HydrophobicContact CG1-CD2 4.21Å; L85-L90 HydrophobicContact CD2-CD1 4.21Å; L90-D94 HydrophobicContact CB-CB 4.21Å; L90-D94 HydrophobicContact CD2-CB 4.14Å; L90-I95 HydrophobicContact CB-CD1 4.31Å; L90-I95 HydrophobicContact CB-CG1 4.02Å; L90-I95 HydrophobicContact CD1-CG1 4.11Å; L90-L98 HydrophobicContact CD1-CD1 4.07Å; L90-R287 PolarHBondContact O-NH2 2.86Å; L90-L294 HydrophobicContact CD2-CD1 3.95Å
91	L	59.7	Low	52.6	Low	29 Å²	29	61.5 Å²	61.5	15%	0.152	33%	0.33	C	S	.	.			trans	-87.2	159.2	164.9	-71.7	177.2	0	0	0	110.5	E93 D94 I95 R287	L91-E93 WeakPolarHBondContact CB-OE2 3.36Å; L91-E93 PolarHBondContact O-N 3.21Å; L91-D94 PolarHBondContact N-OD2 3.45Å; L91-D94 WeakPolarHBondContact O-CA 3.41Å; L91-D94 VanDerWaalsContact O-CB 3.29Å; L91-D94 WeakPolarHBondContact O-CB 3.42Å; L91-D94 PolarHBondContact O-N 2.91Å; L91-I95 PolarHBondContact O-N 2.8Å; L91-I95 VanDerWaalsContact O-N 3.09Å; L91-R287 HydrophobicContact CD2-CG 4.41Å; L91-R287 VanDerWaalsContact CD2-CZ 3.42Å; L91-R287 HydrophobicContact CG-CG 4.29Å
92	D	61.6	Low	53.1	Low	129 Å²	129	65.7 Å²	65.7	69%	0.69	35%	0.349	S	S	*	.	H	α-helix	trans	-64.5	-31.2	179.9	-68.1	-53.8	0	0	0	111.7	D94 I95 A96	D92-D94 VanDerWaalsContact C-N 3.32Å; D92-D94 PolarHBondContact O-N 2.9Å; D92-I95 PolarHBondContact O-N 2.82Å; D92-A96 WeakPolarHBondContact O-CB 3.33Å; D92-A96 PolarHBondContact O-N 3.29Å
93	E	56.7	Low	53.7	Low	92 Å²	92	69.8 Å²	69.8	43%	0.43	36%	0.36	S	S	.	.	H	α-helix	trans	-68.3	-28.7	172	-49.2	99.7	106.1	0	0	113	L91 C97 R295	L91-E93 WeakPolarHBondContact CB-OE2 3.36Å; L91-E93 PolarHBondContact O-N 3.21Å; E93-C97 WeakPolarHBondContact O-CB 3.46Å; E93-C97 PolarHBondContact O-N 3.16Å; E93-R295 IonicContact OE1-NH2 2.74Å
94	D	54.8	Low	53.9	Low	0 Å²	0	70.5 Å²	70.5	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-68.6	-47.2	172	-59.4	-31	0	0	0	109.3	L90 L91 D92 A96 C97 L98 S291 L294 R295	L90-D94 HydrophobicContact CB-CB 4.21Å; L90-D94 HydrophobicContact CD2-CB 4.14Å; L91-D94 PolarHBondContact N-OD2 3.45Å; L91-D94 WeakPolarHBondContact O-CA 3.41Å; L91-D94 VanDerWaalsContact O-CB 3.29Å; L91-D94 WeakPolarHBondContact O-CB 3.42Å; L91-D94 PolarHBondContact O-N 2.91Å; D92-D94 VanDerWaalsContact C-N 3.32Å; D92-D94 PolarHBondContact O-N 2.9Å; D94-A96 VanDerWaalsContact C-N 3.34Å; D94-A96 PolarHBondContact O-N 3.23Å; D94-C97 PolarHBondContact O-N 3.43Å; D94-L98 WeakPolarHBondContact O-CB 3.24Å; D94-L98 WeakPolarHBondContact O-CD1 3.47Å; D94-L98 WeakPolarHBondContact O-CG 3.41Å; D94-L98 PolarHBondContact O-N 3.22Å; D94-S291 VanDerWaalsContact OD1-CA 3.24Å; D94-S291 WeakPolarHBondContact OD1-CA 3.29Å; D94-S291 WeakPolarHBondContact OD1-CB 3.19Å; D94-S291 PolarHBondContact OD1-OG 2.87Å; D94-L294 HydrophobicContact CB-CD2 4.26Å; D94-R295 IonicContact OD1-NE 3.84Å
95	I	57.2	Low	54.1	Low	51 Å²	51	70.5 Å²	70.5	26%	0.262	36%	0.356	S	S	.	.	H	α-helix	trans	-62.6	-41.9	179.3	-63.3	169.3	0	0	0	110.5	L85 L90 L91 D92 L98 K99	L85-I95 HydrophobicContact CD2-CG1 4.36Å; L85-I95 HydrophobicContact CD2-CG2 4.37Å; L90-I95 HydrophobicContact CB-CD1 4.31Å; L90-I95 HydrophobicContact CB-CG1 4.02Å; L90-I95 HydrophobicContact CD1-CG1 4.11Å; L91-I95 PolarHBondContact O-N 2.8Å; L91-I95 VanDerWaalsContact O-N 3.09Å; D92-I95 PolarHBondContact O-N 2.82Å; I95-L98 PolarHBondContact O-N 3.38Å; I95-K99 HydrophobicContact CG2-CD 4.26Å; I95-K99 WeakPolarHBondContact O-CB 3.28Å; I95-K99 VanDerWaalsContact O-CG 3.31Å; I95-K99 WeakPolarHBondContact O-CG 3.47Å; I95-K99 PolarHBondContact O-N 3.09Å
96	A	56.3	Low	53.9	Low	57 Å²	57	72 Å²	72	47%	0.471	37%	0.37	S	S	.	.	H	α-helix	trans	-64.7	-45.5	175.6	0	0	0	0	0	112.3	D92 D94 L98 K99 M100	D92-A96 WeakPolarHBondContact O-CB 3.33Å; D92-A96 PolarHBondContact O-N 3.29Å; D94-A96 VanDerWaalsContact C-N 3.34Å; D94-A96 PolarHBondContact O-N 3.23Å; A96-L98 PolarHBondContact O-N 3.48Å; A96-K99 PolarHBondContact O-N 2.83Å; A96-M100 PolarHBondContact O-N 3.03Å
97	C	54	Low	54	Low	10 Å²	10	68.4 Å²	68.4	7%	0.068	36%	0.359	C	S	.	.	H	α-helix	trans	-60.5	-44.8	176.2	-174.6	0	0	0	0	111.6	E93 D94 M100 V101 R295	E93-C97 WeakPolarHBondContact O-CB 3.46Å; E93-C97 PolarHBondContact O-N 3.16Å; D94-C97 PolarHBondContact O-N 3.43Å; C97-M100 PolarHBondContact O-N 3.13Å; C97-V101 WeakPolarHBondContact O-CG2 3.44Å; C97-V101 PolarHBondContact O-N 3.1Å; C97-V101 VanDerWaalsContact O-N 3.14Å; C97-R295 HydrophobicContact CB-CG 4.1Å
98	L	54.6	Low	53.7	Low	9 Å²	9	69.3 Å²	69.3	5%	0.047	37%	0.365	C	S	.	.	H	α-helix	trans	-66.5	-38.6	178.3	-69.3	165.2	0	0	0	112.4	L81 L85 L90 D94 I95 A96 V101 Q102 L294 V298	L81-L98 HydrophobicContact CB-CD2 4.42Å; L81-L98 HydrophobicContact CD2-CD2 3.96Å; L85-L98 HydrophobicContact CD1-CB 4.15Å; L85-L98 HydrophobicContact CD2-CB 3.83Å; L85-L98 HydrophobicContact CD2-CD1 3.63Å; L85-L98 HydrophobicContact CD2-CG 4.38Å; L85-L98 HydrophobicContact CG-CB 4.12Å; L85-L98 HydrophobicContact CG-CD1 3.89Å; L90-L98 HydrophobicContact CD1-CD1 4.07Å; D94-L98 WeakPolarHBondContact O-CB 3.24Å; D94-L98 WeakPolarHBondContact O-CD1 3.47Å; D94-L98 WeakPolarHBondContact O-CG 3.41Å; D94-L98 PolarHBondContact O-N 3.22Å; I95-L98 PolarHBondContact O-N 3.38Å; A96-L98 PolarHBondContact O-N 3.48Å; L98-V101 PolarHBondContact O-N 3.4Å; L98-Q102 WeakPolarHBondContact O-CB 3.49Å; L98-Q102 PolarHBondContact O-N 3.4Å; L98-L294 HydrophobicContact CD1-CD2 4.05Å; L98-L294 HydrophobicContact CD2-CD2 4.24Å; L98-L294 HydrophobicContact CG-CD2 4.19Å; L98-V298 HydrophobicContact CD2-CG2 3.72Å
99	K	58.6	Low	53.5	Low	116 Å²	116	66.5 Å²	66.5	50%	0.504	35%	0.352	S	S	.	.	H	α-helix	trans	-63.6	-49.4	173.1	-79.4	177.6	177.9	-179	0	112.4	I95 A96 V101 Q102 E103	I95-K99 HydrophobicContact CG2-CD 4.26Å; I95-K99 WeakPolarHBondContact O-CB 3.28Å; I95-K99 VanDerWaalsContact O-CG 3.31Å; I95-K99 WeakPolarHBondContact O-CG 3.47Å; I95-K99 PolarHBondContact O-N 3.09Å; A96-K99 PolarHBondContact O-N 2.83Å; K99-V101 PolarHBondContact O-N 3.49Å; K99-Q102 WeakPolarHBondContact O-CB 3.27Å; K99-Q102 PolarHBondContact O-N 2.79Å; K99-E103 WeakPolarHBondContact O-CG 3.38Å; K99-E103 PolarHBondContact O-N 2.88Å
100	M	58.2	Low	53.3	Low	63 Å²	63	68.4 Å²	68.4	31%	0.31	36%	0.361	S	S	.	.	H	α-helix	trans	-54.4	-37.8	176.2	177.7	-164.3	59.8	0	0	111.5	A96 C97 K104 F299	A96-M100 PolarHBondContact O-N 3.03Å; C97-M100 PolarHBondContact O-N 3.13Å; M100-K104 HydrophobicContact CG-CD 4.43Å; M100-K104 WeakPolarHBondContact O-CB 3.29Å; M100-K104 WeakPolarHBondContact O-CG 3.17Å; M100-K104 PolarHBondContact O-N 2.86Å; M100-K104 VanDerWaalsContact O-N 3.14Å; M100-F299 HydrophobicContact CE-CE1 3.93Å; M100-F299 HydrophobicContact CE-CZ 4.24Å
101	V	52.5	Low	52.7	Low	6 Å²	6	69.3 Å²	69.3	4%	0.036	37%	0.367	C	S	.	.	H	α-helix	trans	-73.7	-40.9	176.8	170.4	0	0	0	0	112	L78 C97 L98 K99 E103 K104 W105 V298 C302	L78-V101 HydrophobicContact CD2-CG1 4.27Å; C97-V101 WeakPolarHBondContact O-CG2 3.44Å; C97-V101 PolarHBondContact O-N 3.1Å; C97-V101 VanDerWaalsContact O-N 3.14Å; L98-V101 PolarHBondContact O-N 3.4Å; K99-V101 PolarHBondContact O-N 3.49Å; V101-E103 VanDerWaalsContact C-N 3.34Å; V101-E103 PolarHBondContact O-N 3.33Å; V101-K104 PolarHBondContact O-N 2.8Å; V101-W105 VanDerWaalsContact O-CB 3.31Å; V101-W105 WeakPolarHBondContact O-CB 3.45Å; V101-W105 PolarHBondContact O-N 3.18Å; V101-V298 HydrophobicContact CB-CG1 4.29Å; V101-V298 HydrophobicContact CG2-CG1 3.56Å; V101-C302 WeakPolarHBondContact CG1-SG 3.31Å; V101-C302 WeakPolarHBondContact CG2-SG 3.12Å
102	Q	54.4	Low	51.9	Low	119 Å²	119	69.8 Å²	69.8	56%	0.556	38%	0.379	S	S	*	.	H	α-helix	trans	-61.1	-40.8	174.4	-176.4	176.1	-16.3	0	0	112.2	L98 K99 W105 S106	L98-Q102 WeakPolarHBondContact O-CB 3.49Å; L98-Q102 PolarHBondContact O-N 3.4Å; K99-Q102 WeakPolarHBondContact O-CB 3.27Å; K99-Q102 PolarHBondContact O-N 2.79Å; Q102-W105 CarbonylContact O-C 3.49Å; Q102-W105 PolarHBondContact O-N 3.48Å; Q102-S106 PolarHBondContact O-N 2.74Å
103	E	56.3	Low	51.3	Low	134 Å²	134	68.4 Å²	68.4	63%	0.626	37%	0.369	S	S	*	.	H	α-helix	trans	-62.4	-48.4	174.7	-73.2	165.4	-172.8	0	0	111	K99 V101 W105 S106	K99-E103 WeakPolarHBondContact O-CG 3.38Å; K99-E103 PolarHBondContact O-N 2.88Å; V101-E103 VanDerWaalsContact C-N 3.34Å; V101-E103 PolarHBondContact O-N 3.33Å; E103-W105 PolarHBondContact O-N 3.44Å; E103-S106 PolarHBondContact O-N 2.9Å; E103-S106 PolarHBondContact O-OG 2.95Å
104	K	52.7	Low	50.8	Low	152 Å²	152	65.1 Å²	65.1	66%	0.661	35%	0.354	S	S	*	.	H	α-helix	trans	-64.2	-17.5	174.1	-73.5	176.4	178.1	175.5	0	114.5	M100 V101	M100-K104 HydrophobicContact CG-CD 4.43Å; M100-K104 WeakPolarHBondContact O-CB 3.29Å; M100-K104 WeakPolarHBondContact O-CG 3.17Å; M100-K104 PolarHBondContact O-N 2.86Å; M100-K104 VanDerWaalsContact O-N 3.14Å; V101-K104 PolarHBondContact O-N 2.8Å
105	W	49.4	Very low	50.4	Low	53 Å²	53	68.4 Å²	68.4	20%	0.201	37%	0.371	C	S	.	.	H	α-helix	trans	-106.3	-2.5	-179.1	-94.9	66.2	0	0	0	114.9	R74 L78 V101 Q102 E103 N107 S108 S305	R74-W105 VanDerWaalsContact CD-CH2 3.49Å; R74-W105 VanDerWaalsContact CD-CZ2 3.47Å; R74-W105 HydrophobicContact CG-CH2 3.97Å; R74-W105 HydrophobicContact CG-CZ2 4.28Å; L78-W105 HydrophobicContact CD1-CD2 3.48Å; L78-W105 VanDerWaalsContact CD1-CD2 3.48Å; L78-W105 HydrophobicContact CD1-CE3 3.27Å; L78-W105 HydrophobicContact CD1-CG 4.14Å; L78-W105 HydrophobicContact CD1-CH2 4.09Å; L78-W105 HydrophobicContact CD1-CZ2 4.28Å; L78-W105 HydrophobicContact CD1-CZ3 3.59Å; V101-W105 VanDerWaalsContact O-CB 3.31Å; V101-W105 WeakPolarHBondContact O-CB 3.45Å; V101-W105 PolarHBondContact O-N 3.18Å; Q102-W105 CarbonylContact O-C 3.49Å; Q102-W105 PolarHBondContact O-N 3.48Å; E103-W105 PolarHBondContact O-N 3.44Å; W105-N107 PolarHBondContact O-N 3.11Å; W105-S108 PolarHBondContact O-N 3.1Å; W105-S305 VanDerWaalsContact CZ2-OG 3.24Å; W105-S305 WeakPolarHBondContact CZ2-OG 3.15Å; W105-S305 PolarHBondContact NE1-OG 2.91Å
106	S	41.9	Very low	49.9	Very low	79 Å²	79	72.8 Å²	72.8	55%	0.552	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-26	178.6	59.5	0	0	0	0	113.4	Q102 E103 S108	Q102-S106 PolarHBondContact O-N 2.74Å; E103-S106 PolarHBondContact O-N 2.9Å; E103-S106 PolarHBondContact O-OG 2.95Å; S106-S108 PolarHBondContact O-N 3.08Å
107	N	48.1	Very low	49.5	Very low	101 Å²	101	76.5 Å²	76.5	54%	0.54	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	29.3	172.4	-75.9	-3.1	0	0	0	115	W105 S109 I110	W105-N107 PolarHBondContact O-N 3.11Å; N107-S109 PolarHBondContact O-N 3.29Å; N107-S109 VanDerWaalsContact O-N 3.11Å; N107-I110 HydrophobicContact CB-CD1 3.91Å; N107-I110 HydrophobicContact CB-CG1 4.21Å; N107-I110 WeakPolarHBondContact O-CB 3.25Å; N107-I110 PolarHBondContact O-N 2.91Å
108	S	41.6	Very low	48.9	Very low	58 Å²	58	77.1 Å²	77.1	41%	0.406	39%	0.393	S	S	.	.	H	α-helix	trans	-59.4	-18.7	176.9	60.6	0	0	0	0	114.5	W105 S106 T111 G112	W105-S108 PolarHBondContact O-N 3.1Å; S106-S108 PolarHBondContact O-N 3.08Å; S108-T111 PolarHBondContact O-N 3.27Å; S108-G112 PolarHBondContact O-N 3.25Å
109	S	44.1	Very low	48.4	Very low	84 Å²	84	78 Å²	78	59%	0.587	41%	0.405	S	S	*	.	H	α-helix	trans	-57.4	-46.1	168	46.5	0	0	0	0	112.3	N107 T111 G112 E113	N107-S109 PolarHBondContact O-N 3.29Å; N107-S109 VanDerWaalsContact O-N 3.11Å; S109-T111 VanDerWaalsContact C-N 3.31Å; S109-T111 PolarHBondContact O-N 2.95Å; S109-G112 PolarHBondContact O-N 3.32Å; S109-E113 WeakPolarHBondContact O-CB 3.46Å; S109-E113 PolarHBondContact O-N 3.25Å
110	I	49.3	Very low	47.7	Very low	83 Å²	83	78.7 Å²	78.7	43%	0.426	41%	0.408	S	S	.	.	H	α-helix	trans	-62.8	-40.6	-178.5	-53.2	-176.8	0	0	0	110.2	N107 E113 L114	N107-I110 HydrophobicContact CB-CD1 3.91Å; N107-I110 HydrophobicContact CB-CG1 4.21Å; N107-I110 WeakPolarHBondContact O-CB 3.25Å; N107-I110 PolarHBondContact O-N 2.91Å; I110-E113 PolarHBondContact O-N 3.04Å; I110-L114 HydrophobicContact CG2-CD1 4.04Å; I110-L114 HydrophobicContact CG2-CG 4.5Å; I110-L114 WeakPolarHBondContact O-CB 3.47Å; I110-L114 WeakPolarHBondContact O-CG 3.29Å; I110-L114 PolarHBondContact O-N 2.89Å
111	T	45.1	Very low	47.2	Very low	30 Å²	30	78.4 Å²	78.4	18%	0.184	40%	0.403	C	S	.	.	H	α-helix	trans	-63.1	-45.4	176.3	-37	0	0	0	0	111.6	S108 S109 L115 M309	S108-T111 PolarHBondContact O-N 3.27Å; S109-T111 VanDerWaalsContact C-N 3.31Å; S109-T111 PolarHBondContact O-N 2.95Å; T111-L115 WeakPolarHBondContact O-CB 3.15Å; T111-L115 PolarHBondContact O-N 3.07Å; T111-M309 HydrophobicContact CG2-CE 4.25Å; T111-M309 HydrophobicContact CG2-SD 4.01Å
112	G	43.1	Very low	46.9	Very low	39 Å²	39	79.7 Å²	79.7	40%	0.402	41%	0.412	S	S	.	.	H	α-helix	trans	-66.1	-36.2	177.6	0	0	0	0	0	113.4	S108 S109 L115 H116	S108-G112 PolarHBondContact O-N 3.25Å; S109-G112 PolarHBondContact O-N 3.32Å; G112-L115 WeakPolarHBondContact O-CB 3.44Å; G112-H116 PolarHBondContact O-N 3.26Å
113	E	49.5	Very low	46.5	Very low	101 Å²	101	79 Å²	79	47%	0.472	41%	0.41	S	S	.	.	H	α-helix	trans	-73.6	-41	177.8	-160	-172.4	169.6	0	0	112.2	S109 I110 L115 H116 R117	S109-E113 WeakPolarHBondContact O-CB 3.46Å; S109-E113 PolarHBondContact O-N 3.25Å; I110-E113 PolarHBondContact O-N 3.04Å; E113-L115 VanDerWaalsContact C-N 3.34Å; E113-L115 PolarHBondContact O-N 2.86Å; E113-H116 PolarHBondContact O-N 2.79Å; E113-R117 HydrophobicContact CG-CG 4.44Å; E113-R117 WeakPolarHBondContact O-CB 3.32Å; E113-R117 VanDerWaalsContact O-CG 3.26Å; E113-R117 WeakPolarHBondContact O-CG 3.34Å; E113-R117 PolarHBondContact O-N 3.26Å; E113-R117 IonicContact OE1-CZ 2.76Å; E113-R117 IonicContact OE1-NE 3.73Å; E113-R117 PolarHBondContact OE1-NE 3.22Å; E113-R117 IonicContact OE1-NH2 3.06Å; E113-R117 PolarHBondContact OE1-NH2 3.37Å; E113-R117 IonicContact OE2-NH2 3.26Å
114	L	45.5	Very low	45.7	Very low	22 Å²	22	74.5 Å²	74.5	12%	0.115	39%	0.392	C	S	.	.	H	α-helix	trans	-58.7	-45.6	171	-78.2	167.6	0	0	0	111.2	I110 H116 R117 F118 M309 L312	I110-L114 HydrophobicContact CG2-CD1 4.04Å; I110-L114 HydrophobicContact CG2-CG 4.5Å; I110-L114 WeakPolarHBondContact O-CB 3.47Å; I110-L114 WeakPolarHBondContact O-CG 3.29Å; I110-L114 PolarHBondContact O-N 2.89Å; L114-H116 VanDerWaalsContact C-N 3.35Å; L114-H116 PolarHBondContact O-N 3.39Å; L114-R117 PolarHBondContact O-N 3.31Å; L114-F118 WeakPolarHBondContact O-CB 3.5Å; L114-F118 PolarHBondContact O-N 2.89Å; L114-M309 HydrophobicContact CD1-CE 4.16Å; L114-L312 HydrophobicContact CB-CD2 4.36Å; L114-L312 HydrophobicContact CD1-CD2 4.24Å
115	L	46.3	Very low	45.4	Very low	69 Å²	69	67.5 Å²	67.5	36%	0.361	36%	0.362	S	S	.	.	H	α-helix	trans	-52.7	-49	172.2	-97.2	158	0	0	0	112.3	L68 T111 G112 E113 G119	L68-L115 HydrophobicContact CD1-CD2 3.69Å; L68-L115 HydrophobicContact CD1-CG 4.34Å; L68-L115 HydrophobicContact CD2-CD2 3.69Å; L68-L115 HydrophobicContact CG-CD2 3.8Å; T111-L115 WeakPolarHBondContact O-CB 3.15Å; T111-L115 PolarHBondContact O-N 3.07Å; G112-L115 WeakPolarHBondContact O-CB 3.44Å; E113-L115 VanDerWaalsContact C-N 3.34Å; E113-L115 PolarHBondContact O-N 2.86Å; L115-G119 PolarHBondContact O-N 2.91Å
116	H	47.3	Very low	45.2	Very low	144 Å²	144	70.2 Å²	70.2	67%	0.667	38%	0.38	S	S	*	.	H	α-helix	trans	-67.9	-47.4	-179.1	-174.4	-90.9	0	0	0	112.3	G112 E113 L114 F118 G119 F120	G112-H116 PolarHBondContact O-N 3.26Å; E113-H116 PolarHBondContact O-N 2.79Å; L114-H116 VanDerWaalsContact C-N 3.35Å; L114-H116 PolarHBondContact O-N 3.39Å; H116-F118 VanDerWaalsContact C-N 3.29Å; H116-F118 PolarHBondContact O-N 2.94Å; H116-G119 PolarHBondContact O-N 3.21Å; H116-F120 WeakPolarHBondContact O-CB 3.47Å; H116-F120 PolarHBondContact O-N 3.3Å
117	R	46.8	Very low	45.3	Very low	135 Å²	135	70 Å²	70	51%	0.509	38%	0.376	S	S	.	.	H	α-helix	trans	-59.2	-40.4	176.5	-70.8	171.4	178.6	-150.2	4.7	111.4	E113 L114 R121	E113-R117 HydrophobicContact CG-CG 4.44Å; E113-R117 WeakPolarHBondContact O-CB 3.32Å; E113-R117 VanDerWaalsContact O-CG 3.26Å; E113-R117 WeakPolarHBondContact O-CG 3.34Å; E113-R117 PolarHBondContact O-N 3.26Å; E113-R117 IonicContact OE1-CZ 2.76Å; E113-R117 IonicContact OE1-NE 3.73Å; E113-R117 PolarHBondContact OE1-NE 3.22Å; E113-R117 IonicContact OE1-NH2 3.06Å; E113-R117 PolarHBondContact OE1-NH2 3.37Å; E113-R117 IonicContact OE2-NH2 3.26Å; L114-R117 PolarHBondContact O-N 3.31Å; R117-R121 WeakPolarHBondContact O-CG 3.17Å; R117-R121 PolarHBondContact O-N 2.97Å; R117-R121 VanDerWaalsContact O-N 3.09Å
118	F	42.5	Very low	45.1	Very low	22 Å²	22	66.5 Å²	66.5	10%	0.096	36%	0.358	C	S	.	.	H	α-helix	trans	-69.2	-48.8	176.7	179.8	-93.3	0	0	0	112.5	L61 M64 L114 H116 F120 R121 V122 N316 C319	L61-F118 HydrophobicContact CD2-CE1 4.11Å; L61-F118 HydrophobicContact CD2-CZ 3.62Å; L61-F118 HydrophobicContact CG-CZ 3.89Å; M64-F118 HydrophobicContact CE-CD1 4.37Å; M64-F118 HydrophobicContact CE-CD2 3.45Å; M64-F118 VanDerWaalsContact CE-CD2 3.45Å; M64-F118 HydrophobicContact CE-CE1 4.21Å; M64-F118 HydrophobicContact CE-CE2 3.22Å; M64-F118 HydrophobicContact CE-CG 4.01Å; M64-F118 HydrophobicContact CE-CZ 3.64Å; M64-F118 HydrophobicContact SD-CD1 3.48Å; M64-F118 WeakPolarHBondContact SD-CD1 3.33Å; M64-F118 HydrophobicContact SD-CD2 3.7Å; M64-F118 HydrophobicContact SD-CE1 3.34Å; M64-F118 WeakPolarHBondContact SD-CE1 3.43Å; M64-F118 HydrophobicContact SD-CE2 3.55Å; M64-F118 VanDerWaalsContact SD-CE2 3.55Å; M64-F118 HydrophobicContact SD-CG 3.64Å; M64-F118 HydrophobicContact SD-CZ 3.36Å; M64-F118 WeakPolarHBondContact SD-CZ 3.32Å; L114-F118 WeakPolarHBondContact O-CB 3.5Å; L114-F118 PolarHBondContact O-N 2.89Å; H116-F118 VanDerWaalsContact C-N 3.29Å; H116-F118 PolarHBondContact O-N 2.94Å; F118-F120 VanDerWaalsContact C-N 3.26Å; F118-F120 PolarHBondContact O-N 3.45Å; F118-R121 WeakPolarHBondContact O-CA 3.27Å; F118-R121 WeakPolarHBondContact O-CB 3.28Å; F118-R121 PolarHBondContact O-N 2.99Å; F118-V122 HydrophobicContact CD1-CG2 4.05Å; F118-V122 HydrophobicContact CE1-CG2 3.5Å; F118-V122 VanDerWaalsContact CE1-CG2 3.5Å; F118-V122 HydrophobicContact CE2-CG2 4.22Å; F118-V122 HydrophobicContact CZ-CG2 3.61Å; F118-V122 PolarHBondContact O-N 3.1Å; F118-N316 HydrophobicContact CD2-CB 4.48Å; F118-C319 HydrophobicContact CE2-CB 4.39Å; F118-C319 VanDerWaalsContact CE2-SG 3.52Å
119	G	42.5	Very low	45.3	Very low	28 Å²	28	69.1 Å²	69.1	29%	0.289	36%	0.362	S	S	.	.	H	α-helix	trans	-56.9	-41.5	177.1	0	0	0	0	0	111.9	L115 H116 V122 I123	L115-G119 PolarHBondContact O-N 2.91Å; H116-G119 PolarHBondContact O-N 3.21Å; G119-V122 PolarHBondContact O-N 3.07Å; G119-I123 VanDerWaalsContact O-CG1 3.27Å; G119-I123 WeakPolarHBondContact O-CG1 3.45Å; G119-I123 PolarHBondContact O-N 3.15Å
120	F	44.7	Very low	45.3	Very low	130 Å²	130	69.4 Å²	69.4	57%	0.57	36%	0.361	S	S	*	.	H	α-helix	trans	-60.5	-46.4	172	-176.4	-95.7	0	0	0	112.6	H116 F118 V122 I123 V124	H116-F120 WeakPolarHBondContact O-CB 3.47Å; H116-F120 PolarHBondContact O-N 3.3Å; F118-F120 VanDerWaalsContact C-N 3.26Å; F118-F120 PolarHBondContact O-N 3.45Å; F120-V122 PolarHBondContact O-N 3.06Å; F120-I123 PolarHBondContact O-N 3.05Å; F120-V124 HydrophobicContact CD1-CG2 4.15Å; F120-V124 HydrophobicContact CE1-CG2 3.78Å; F120-V124 HydrophobicContact CZ-CG2 3.99Å; F120-V124 WeakPolarHBondContact O-CG2 3.44Å; F120-V124 PolarHBondContact O-N 3.22Å
121	R	47.4	Very low	44.7	Very low	57 Å²	57	68.3 Å²	68.3	22%	0.215	36%	0.36	C	S	.	.	H	α-helix	trans	-59.7	-41.8	176	-76.1	173.6	176.1	179.4	-2.2	112.5	R117 F118 V124 C125 N316 E317	R117-R121 WeakPolarHBondContact O-CG 3.17Å; R117-R121 PolarHBondContact O-N 2.97Å; R117-R121 VanDerWaalsContact O-N 3.09Å; F118-R121 WeakPolarHBondContact O-CA 3.27Å; F118-R121 WeakPolarHBondContact O-CB 3.28Å; F118-R121 PolarHBondContact O-N 2.99Å; R121-V124 PolarHBondContact O-N 2.97Å; R121-C125 PolarHBondContact O-N 3.14Å; R121-C125 PolarHBondContact O-SG 3.12Å; R121-N316 VanDerWaalsContact NH1-CG 3.26Å; R121-N316 PolarHBondContact NH1-ND2 3.18Å; R121-N316 PolarHBondContact NH1-O 3.21Å; R121-N316 PolarHBondContact NH1-OD1 3.22Å; R121-E317 IonicContact NH1-OE1 3.78Å
122	V	46.8	Very low	44.6	Very low	34 Å²	34	70.2 Å²	70.2	21%	0.206	37%	0.369	C	S	.	.	H	α-helix	trans	-66.8	-41.2	176.4	174.8	0	0	0	0	111.7	L61 F118 G119 F120 V124 C125 L126	L61-V122 HydrophobicContact CD2-CG2 4.47Å; F118-V122 HydrophobicContact CD1-CG2 4.05Å; F118-V122 HydrophobicContact CE1-CG2 3.5Å; F118-V122 VanDerWaalsContact CE1-CG2 3.5Å; F118-V122 HydrophobicContact CE2-CG2 4.22Å; F118-V122 HydrophobicContact CZ-CG2 3.61Å; F118-V122 PolarHBondContact O-N 3.1Å; G119-V122 PolarHBondContact O-N 3.07Å; F120-V122 PolarHBondContact O-N 3.06Å; V122-V124 VanDerWaalsContact C-N 3.3Å; V122-V124 PolarHBondContact O-N 3.48Å; V122-C125 PolarHBondContact O-N 2.87Å; V122-L126 HydrophobicContact CG1-CD1 4.07Å; V122-L126 WeakPolarHBondContact O-CG 3.48Å; V122-L126 PolarHBondContact O-N 2.86Å
123	I	45.2	Very low	44.3	Very low	103 Å²	103	70.8 Å²	70.8	53%	0.528	36%	0.364	S	S	.	.	H	α-helix	trans	-61.1	-41.3	173.6	-69.5	164.4	0	0	0	110.5	G119 F120 L126 T127	G119-I123 VanDerWaalsContact O-CG1 3.27Å; G119-I123 WeakPolarHBondContact O-CG1 3.45Å; G119-I123 PolarHBondContact O-N 3.15Å; F120-I123 PolarHBondContact O-N 3.05Å; I123-L126 PolarHBondContact O-N 2.7Å; I123-T127 PolarHBondContact O-N 3.18Å; I123-T127 PolarHBondContact O-OG1 2.85Å; I123-T127 VanDerWaalsContact O-OG1 3.1Å
124	V	39.9	Very low	43.8	Very low	41 Å²	41	69 Å²	69	25%	0.248	37%	0.367	C	S	.	.	H	α-helix	trans	-63.9	-42.2	174.8	168.9	0	0	0	0	112	F120 R121 V122 L126 T127 V128 V323	F120-V124 HydrophobicContact CD1-CG2 4.15Å; F120-V124 HydrophobicContact CE1-CG2 3.78Å; F120-V124 HydrophobicContact CZ-CG2 3.99Å; F120-V124 WeakPolarHBondContact O-CG2 3.44Å; F120-V124 PolarHBondContact O-N 3.22Å; R121-V124 PolarHBondContact O-N 2.97Å; V122-V124 VanDerWaalsContact C-N 3.3Å; V122-V124 PolarHBondContact O-N 3.48Å; V124-L126 VanDerWaalsContact C-N 3.32Å; V124-L126 PolarHBondContact O-N 3.35Å; V124-T127 PolarHBondContact O-N 2.95Å; V124-T127 PolarHBondContact O-OG1 3.04Å; V124-V128 HydrophobicContact CG1-CG2 4.43Å; V124-V128 VanDerWaalsContact O-CB 3.28Å; V124-V128 WeakPolarHBondContact O-CB 3.22Å; V124-V128 VanDerWaalsContact O-CG2 3.31Å; V124-V128 WeakPolarHBondContact O-CG2 3.41Å; V124-V128 PolarHBondContact O-N 3.31Å; V124-V323 HydrophobicContact CG1-CG1 4.23Å
125	C	46.8	Very low	43.7	Very low	5 Å²	5	71.5 Å²	71.5	3%	0.034	39%	0.391	C	S	.	.	H	α-helix	trans	-57.4	-46.4	171.8	-70.9	0	0	0	0	111.4	W57 R121 V122 V128 F129 V323	W57-C125 HydrophobicContact CZ2-CB 4.46Å; R121-C125 PolarHBondContact O-N 3.14Å; R121-C125 PolarHBondContact O-SG 3.12Å; V122-C125 PolarHBondContact O-N 2.87Å; C125-V128 WeakPolarHBondContact O-CB 3.44Å; C125-V128 PolarHBondContact O-N 3.04Å; C125-F129 WeakPolarHBondContact O-CD2 3.49Å; C125-F129 PolarHBondContact O-N 2.98Å; C125-V323 WeakPolarHBondContact SG-CG2 3.24Å
126	L	45.1	Very low	43.3	Very low	109 Å²	109	70.1 Å²	70.1	57%	0.571	39%	0.387	S	S	*	.	H	α-helix	trans	-67	-39.6	-178.2	-69.9	168.1	0	0	0	112.5	V122 I123 V124 F129 T130	V122-L126 HydrophobicContact CG1-CD1 4.07Å; V122-L126 WeakPolarHBondContact O-CG 3.48Å; V122-L126 PolarHBondContact O-N 2.86Å; I123-L126 PolarHBondContact O-N 2.7Å; V124-L126 VanDerWaalsContact C-N 3.32Å; V124-L126 PolarHBondContact O-N 3.35Å; L126-F129 PolarHBondContact O-N 3.26Å; L126-T130 PolarHBondContact O-N 3.46Å; L126-T130 PolarHBondContact O-OG1 2.94Å
127	T	44.2	Very low	42.8	Very low	76 Å²	76	70.4 Å²	70.4	47%	0.466	39%	0.393	S	S	.	.	H	α-helix	trans	-74.1	-29.7	175.2	54	0	0	0	0	113	I123 V124 T130 S131	I123-T127 PolarHBondContact O-N 3.18Å; I123-T127 PolarHBondContact O-OG1 2.85Å; I123-T127 VanDerWaalsContact O-OG1 3.1Å; V124-T127 PolarHBondContact O-N 2.95Å; V124-T127 PolarHBondContact O-OG1 3.04Å; T127-T130 WeakPolarHBondContact CA-OG1 3.45Å; T127-T130 PolarHBondContact O-OG1 3.4Å; T127-S131 VanDerWaalsContact O-CB 3.22Å; T127-S131 WeakPolarHBondContact O-CB 3.5Å; T127-S131 PolarHBondContact O-N 3.34Å; T127-S131 PolarHBondContact O-OG 3.3Å
128	V	42.7	Very low	42.8	Very low	26 Å²	26	66.9 Å²	66.9	16%	0.158	39%	0.389	C	S	.	.	H	α-helix	trans	-59.2	-51.9	166.8	155.5	0	0	0	0	110.2	V124 C125 T130 S131 L132 L326 L330	V124-V128 HydrophobicContact CG1-CG2 4.43Å; V124-V128 VanDerWaalsContact O-CB 3.28Å; V124-V128 WeakPolarHBondContact O-CB 3.22Å; V124-V128 VanDerWaalsContact O-CG2 3.31Å; V124-V128 WeakPolarHBondContact O-CG2 3.41Å; V124-V128 PolarHBondContact O-N 3.31Å; C125-V128 WeakPolarHBondContact O-CB 3.44Å; C125-V128 PolarHBondContact O-N 3.04Å; V128-T130 PolarHBondContact O-N 3.47Å; V128-S131 PolarHBondContact O-N 3.42Å; V128-S131 PolarHBondContact O-OG 2.86Å; V128-L132 PolarHBondContact O-N 2.85Å; V128-L326 HydrophobicContact CG1-CB 4.24Å; V128-L330 HydrophobicContact CB-CD1 4.46Å; V128-L330 HydrophobicContact CG1-CD1 3.79Å; V128-L330 HydrophobicContact CG2-CD1 4.14Å
129	F	46.5	Very low	42.9	Very low	113 Å²	113	73.9 Å²	73.9	50%	0.496	42%	0.421	S	S	.	.	H	α-helix	trans	-59.6	-43.2	177.7	-95.1	-81.6	0	0	0	113.1	C125 L126 L132 V133 L326	C125-F129 WeakPolarHBondContact O-CD2 3.49Å; C125-F129 PolarHBondContact O-N 2.98Å; L126-F129 PolarHBondContact O-N 3.26Å; F129-L132 WeakPolarHBondContact O-CB 3.48Å; F129-L132 PolarHBondContact O-N 2.81Å; F129-V133 PolarHBondContact O-N 2.84Å; F129-L326 HydrophobicContact CE2-CD1 4.13Å; F129-L326 HydrophobicContact CE2-CD2 4.41Å
130	T	43.6	Very low	43.1	Very low	91 Å²	91	82.9 Å²	82.9	56%	0.558	45%	0.447	S	S	*	.	H	α-helix	trans	-74.4	-26.4	177.6	58.1	0	0	0	0	113.6	L126 T127 V128 V133 A134	L126-T130 PolarHBondContact O-N 3.46Å; L126-T130 PolarHBondContact O-OG1 2.94Å; T127-T130 WeakPolarHBondContact CA-OG1 3.45Å; T127-T130 PolarHBondContact O-OG1 3.4Å; V128-T130 PolarHBondContact O-N 3.47Å; T130-V133 PolarHBondContact O-N 2.96Å; T130-A134 WeakPolarHBondContact O-CB 3.42Å; T130-A134 PolarHBondContact O-N 2.86Å
131	S	37.7	Very low	43	Very low	59 Å²	59	79.5 Å²	79.5	41%	0.413	43%	0.434	S	S	.	.	H	α-helix	trans	-69.3	-35.4	172.3	74	0	0	0	0	112.6	T127 V128 A134 A135	T127-S131 VanDerWaalsContact O-CB 3.22Å; T127-S131 WeakPolarHBondContact O-CB 3.5Å; T127-S131 PolarHBondContact O-N 3.34Å; T127-S131 PolarHBondContact O-OG 3.3Å; V128-S131 PolarHBondContact O-N 3.42Å; V128-S131 PolarHBondContact O-OG 2.86Å; S131-A134 PolarHBondContact O-N 3.34Å; S131-A135 PolarHBondContact O-N 2.82Å
132	L	41.8	Very low	42.8	Very low	70 Å²	70	81.3 Å²	81.3	37%	0.366	45%	0.448	S	S	.	.	H	α-helix	trans	-57.4	-49.7	170	-111.3	144.6	0	0	0	110.9	V128 F129 A134 A135 S136 L330	V128-L132 PolarHBondContact O-N 2.85Å; F129-L132 WeakPolarHBondContact O-CB 3.48Å; F129-L132 PolarHBondContact O-N 2.81Å; L132-A134 VanDerWaalsContact C-N 3.3Å; L132-A134 PolarHBondContact O-N 3.27Å; L132-A135 PolarHBondContact O-N 2.92Å; L132-S136 PolarHBondContact O-OG 3.01Å; L132-L330 HydrophobicContact CD1-CD2 3.8Å; L132-L330 HydrophobicContact CD1-CG 4.18Å; L132-L330 HydrophobicContact CG-CD2 3.75Å
133	V	37.7	Very low	42.8	Very low	51 Å²	51	88.5 Å²	88.5	31%	0.309	47%	0.471	S	S	.	.	H	α-helix	trans	-61.7	-34	176.2	168.1	0	0	0	0	112.8	F129 T130 S136 V145	F129-V133 PolarHBondContact O-N 2.84Å; T130-V133 PolarHBondContact O-N 2.96Å; V133-S136 PolarHBondContact O-OG 2.75Å; V133-V145 HydrophobicContact CG1-CG1 4.17Å; V133-V145 HydrophobicContact CG1-CG2 3.91Å
134	A	38.3	Very low	42.8	Very low	65 Å²	65	86.8 Å²	86.8	54%	0.537	47%	0.465	S	S	.	.	H	α-helix	trans	-76.9	-29.9	179.9	0	0	0	0	0	113.8	T130 S131 L132	T130-A134 WeakPolarHBondContact O-CB 3.42Å; T130-A134 PolarHBondContact O-N 2.86Å; S131-A134 PolarHBondContact O-N 3.34Å; L132-A134 VanDerWaalsContact C-N 3.3Å; L132-A134 PolarHBondContact O-N 3.27Å
135	A	43.7	Very low	43	Very low	74 Å²	74	86.7 Å²	86.7	61%	0.612	47%	0.465	S	S	*	.	H	α-helix	trans	-75.5	-23.9	179.4	0	0	0	0	0	113.2	S131 L132 L137	S131-A135 PolarHBondContact O-N 2.82Å; L132-A135 PolarHBondContact O-N 2.92Å; A135-L137 PolarHBondContact O-N 3.08Å
136	S	37.3	Very low	43	Very low	40 Å²	40	91 Å²	91	28%	0.28	49%	0.486	S	S	.	.			trans	-93.1	50.7	-173	65.4	0	0	0	0	113.4	L132 V133 S138 L141	L132-S136 PolarHBondContact O-OG 3.01Å; V133-S136 PolarHBondContact O-OG 2.75Å; S136-S138 PolarHBondContact O-N 3.44Å; S136-L141 WeakPolarHBondContact O-CB 3.41Å; S136-L141 VanDerWaalsContact O-CD1 3.32Å; S136-L141 WeakPolarHBondContact O-CD1 3.39Å
137	L	37	Very low	43.1	Very low	150 Å²	150	87 Å²	87	79%	0.785	47%	0.47	S	S	*	.			trans	-89.5	84.1	179.5	-79.9	168.5	0	0	0	112.6	A135	A135-L137 PolarHBondContact O-N 3.08Å
138	S	46.8	Very low	43.1	Very low	61 Å²	61	88 Å²	88	43%	0.427	47%	0.472	S	S	.	.			trans	-114.4	158.6	154.9	106.8	0	0	0	0	109.6	S136 W140 L141	S136-S138 PolarHBondContact O-N 3.44Å; S138-W140 PolarHBondContact O-N 2.94Å; S138-W140 VanDerWaalsContact O-N 3.15Å; S138-W140 PolarHBondContact OG-N 2.98Å; S138-L141 PolarHBondContact O-N 3.26Å
139	H	44.5	Very low	43.3	Very low	168 Å²	168	91 Å²	91	78%	0.778	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-20.4	-173.4	-132.2	-46.3	0	0	0	114.1
140	W	46.9	Very low	43.2	Very low	218 Å²	218	87.5 Å²	87.5	83%	0.826	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-37.7	171.9	-84.5	77.7	0	0	0	112.3	S138 L142 W143	S138-W140 PolarHBondContact O-N 2.94Å; S138-W140 VanDerWaalsContact O-N 3.15Å; S138-W140 PolarHBondContact OG-N 2.98Å; W140-L142 PolarHBondContact O-N 2.91Å; W140-L142 VanDerWaalsContact O-N 3.13Å; W140-W143 PolarHBondContact O-N 3.47Å; W140-W143 VanDerWaalsContact O-N 3.08Å
141	L	44.1	Very low	43.2	Very low	58 Å²	58	87 Å²	87	30%	0.304	47%	0.472	S	S	.	.	H	α-helix	trans	-66.2	-13	178.7	-78.3	138.7	0	0	0	113	S136 S138 W143 T144 V145	S136-L141 WeakPolarHBondContact O-CB 3.41Å; S136-L141 VanDerWaalsContact O-CD1 3.32Å; S136-L141 WeakPolarHBondContact O-CD1 3.39Å; S138-L141 PolarHBondContact O-N 3.26Å; L141-W143 VanDerWaalsContact C-N 3.29Å; L141-W143 PolarHBondContact O-N 3.34Å; L141-T144 VanDerWaalsContact CA-OG1 3.32Å; L141-T144 WeakPolarHBondContact CA-OG1 3.2Å; L141-T144 WeakPolarHBondContact CD2-OG1 3Å; L141-T144 PolarHBondContact O-N 3Å; L141-T144 PolarHBondContact O-OG1 3.35Å; L141-V145 WeakPolarHBondContact O-CB 3.42Å; L141-V145 WeakPolarHBondContact O-CG2 3.14Å; L141-V145 PolarHBondContact O-N 2.87Å
142	L	42.7	Very low	43.4	Very low	95 Å²	95	85.9 Å²	85.9	50%	0.497	47%	0.47	S	S	.	.	H	α-helix	trans	-61.7	-39	170	-163	84	0	0	0	111.7	W140 V145 I146	W140-L142 PolarHBondContact O-N 2.91Å; W140-L142 VanDerWaalsContact O-N 3.13Å; L142-V145 PolarHBondContact O-N 3.14Å; L142-I146 WeakPolarHBondContact O-CG1 3.42Å; L142-I146 PolarHBondContact O-N 2.78Å; L142-I146 VanDerWaalsContact O-N 3.13Å
143	W	46.9	Very low	43.4	Very low	186 Å²	186	87.9 Å²	87.9	71%	0.705	48%	0.481	S	S	*	.	H	α-helix	trans	-72.2	-40.6	176	-76.3	106.3	0	0	0	111.6	W140 L141 V145 I146 A147	W140-W143 PolarHBondContact O-N 3.47Å; W140-W143 VanDerWaalsContact O-N 3.08Å; L141-W143 VanDerWaalsContact C-N 3.29Å; L141-W143 PolarHBondContact O-N 3.34Å; W143-V145 VanDerWaalsContact C-N 3.26Å; W143-V145 PolarHBondContact O-N 3.32Å; W143-I146 HydrophobicContact CE3-CD1 4.39Å; W143-I146 PolarHBondContact O-N 2.86Å; W143-A147 WeakPolarHBondContact O-CB 3.44Å; W143-A147 PolarHBondContact O-N 3.48Å
144	T	45.4	Very low	43.8	Very low	66 Å²	66	91 Å²	91	41%	0.405	50%	0.495	S	S	.	.	H	α-helix	trans	-66.9	-27.5	174.8	72.9	0	0	0	0	111.9	L141 A147 L148	L141-T144 VanDerWaalsContact CA-OG1 3.32Å; L141-T144 WeakPolarHBondContact CA-OG1 3.2Å; L141-T144 WeakPolarHBondContact CD2-OG1 3Å; L141-T144 PolarHBondContact O-N 3Å; L141-T144 PolarHBondContact O-OG1 3.35Å; T144-A147 PolarHBondContact O-N 3.31Å; T144-L148 WeakPolarHBondContact O-CB 3.42Å; T144-L148 PolarHBondContact O-N 2.98Å
145	V	42.5	Very low	43.9	Very low	39 Å²	39	90 Å²	90	24%	0.236	48%	0.482	C	S	.	.	H	α-helix	trans	-71.9	-38.5	172.6	165.7	0	0	0	0	111.5	V133 L141 L142 W143 A147 L148 V149	V133-V145 HydrophobicContact CG1-CG1 4.17Å; V133-V145 HydrophobicContact CG1-CG2 3.91Å; L141-V145 WeakPolarHBondContact O-CB 3.42Å; L141-V145 WeakPolarHBondContact O-CG2 3.14Å; L141-V145 PolarHBondContact O-N 2.87Å; L142-V145 PolarHBondContact O-N 3.14Å; W143-V145 VanDerWaalsContact C-N 3.26Å; W143-V145 PolarHBondContact O-N 3.32Å; V145-A147 VanDerWaalsContact C-N 3.34Å; V145-L148 PolarHBondContact O-N 3.06Å; V145-V149 WeakPolarHBondContact O-CB 3.28Å; V145-V149 WeakPolarHBondContact O-CG2 3.19Å; V145-V149 PolarHBondContact O-N 3.42Å
146	I	47.2	Very low	43.8	Very low	95 Å²	95	90.3 Å²	90.3	49%	0.487	48%	0.476	S	S	.	.	H	α-helix	trans	-63.9	-42.4	170.7	-67.2	168	0	0	0	110.1	L142 W143 V149 A150	L142-I146 WeakPolarHBondContact O-CG1 3.42Å; L142-I146 PolarHBondContact O-N 2.78Å; L142-I146 VanDerWaalsContact O-N 3.13Å; W143-I146 HydrophobicContact CE3-CD1 4.39Å; W143-I146 PolarHBondContact O-N 2.86Å; I146-V149 PolarHBondContact O-N 2.93Å; I146-A150 VanDerWaalsContact O-CB 3.25Å; I146-A150 WeakPolarHBondContact O-CB 3.25Å; I146-A150 PolarHBondContact O-N 3.06Å
147	A	47	Very low	43.8	Very low	27 Å²	27	94.9 Å²	94.9	22%	0.223	49%	0.491	C	S	.	.	H	α-helix	trans	-61.9	-46.3	173.9	0	0	0	0	0	111.7	W143 T144 V145 V149 A150 F151	W143-A147 WeakPolarHBondContact O-CB 3.44Å; W143-A147 PolarHBondContact O-N 3.48Å; T144-A147 PolarHBondContact O-N 3.31Å; V145-A147 VanDerWaalsContact C-N 3.34Å; A147-V149 PolarHBondContact O-N 2.59Å; A147-A150 CarbonylContact O-C 3.58Å; A147-A150 WeakPolarHBondContact O-CA 3.36Å; A147-A150 WeakPolarHBondContact O-CB 3.39Å; A147-A150 PolarHBondContact O-N 2.73Å; A147-A150 VanDerWaalsContact O-N 3.09Å; A147-F151 VanDerWaalsContact O-CB 3.26Å; A147-F151 WeakPolarHBondContact O-CB 3.42Å; A147-F151 PolarHBondContact O-N 3.48Å
148	L	45.3	Very low	43.9	Very low	96 Å²	96	89.4 Å²	89.4	50%	0.503	47%	0.471	S	S	.	.	H	α-helix	trans	-68.9	-31.4	-178.8	-154.8	158.3	0	0	0	112.1	T144 V145 G152	T144-L148 WeakPolarHBondContact O-CB 3.42Å; T144-L148 PolarHBondContact O-N 2.98Å; V145-L148 PolarHBondContact O-N 3.06Å; L148-G152 PolarHBondContact O-N 2.85Å
149	V	45.9	Very low	43.5	Very low	88 Å²	88	91.9 Å²	91.9	53%	0.533	47%	0.472	S	S	.	.	H	α-helix	trans	-71.2	-41.8	168.2	171.4	0	0	0	0	111.3	V145 I146 A147 F151 G152 L153	V145-V149 WeakPolarHBondContact O-CB 3.28Å; V145-V149 WeakPolarHBondContact O-CG2 3.19Å; V145-V149 PolarHBondContact O-N 3.42Å; I146-V149 PolarHBondContact O-N 2.93Å; A147-V149 PolarHBondContact O-N 2.59Å; V149-F151 VanDerWaalsContact C-N 3.32Å; V149-F151 PolarHBondContact O-N 2.88Å; V149-G152 PolarHBondContact O-N 3.02Å; V149-L153 HydrophobicContact CG1-CD1 4.28Å; V149-L153 WeakPolarHBondContact O-CG 3.01Å; V149-L153 PolarHBondContact O-N 2.76Å
150	A	44.9	Very low	42.9	Very low	40 Å²	40	87.2 Å²	87.2	33%	0.331	45%	0.452	S	S	.	.	H	α-helix	trans	-65.4	-34.8	174.7	0	0	0	0	0	112.2	I146 A147 L153 L154	I146-A150 VanDerWaalsContact O-CB 3.25Å; I146-A150 WeakPolarHBondContact O-CB 3.25Å; I146-A150 PolarHBondContact O-N 3.06Å; A147-A150 CarbonylContact O-C 3.58Å; A147-A150 WeakPolarHBondContact O-CA 3.36Å; A147-A150 WeakPolarHBondContact O-CB 3.39Å; A147-A150 PolarHBondContact O-N 2.73Å; A147-A150 VanDerWaalsContact O-N 3.09Å; A150-L153 CarbonylContact O-C 3.5Å; A150-L153 PolarHBondContact O-N 3.38Å; A150-L154 VanDerWaalsContact O-CB 3.24Å; A150-L154 WeakPolarHBondContact O-CB 3.46Å; A150-L154 WeakPolarHBondContact O-CG 3.39Å; A150-L154 PolarHBondContact O-N 3.18Å
151	F	42.6	Very low	42.5	Very low	80 Å²	80	82.5 Å²	82.5	35%	0.351	44%	0.442	S	S	.	.	H	α-helix	trans	-72.3	-39.8	173.6	-173.1	-106.3	0	0	0	110.5	A147 V149 L153 L154 V155 E388	A147-F151 VanDerWaalsContact O-CB 3.26Å; A147-F151 WeakPolarHBondContact O-CB 3.42Å; A147-F151 PolarHBondContact O-N 3.48Å; V149-F151 VanDerWaalsContact C-N 3.32Å; V149-F151 PolarHBondContact O-N 2.88Å; F151-L153 VanDerWaalsContact C-N 3.26Å; F151-L153 PolarHBondContact O-N 3.46Å; F151-L154 PolarHBondContact O-N 3.32Å; F151-V155 HydrophobicContact CD1-CG2 3.9Å; F151-V155 HydrophobicContact CD2-CG2 4.34Å; F151-V155 HydrophobicContact CE1-CG2 3.66Å; F151-V155 HydrophobicContact CE2-CG2 4.13Å; F151-V155 HydrophobicContact CG-CG2 4.25Å; F151-V155 HydrophobicContact CZ-CG2 3.79Å; F151-V155 WeakPolarHBondContact O-CA 3.27Å; F151-V155 WeakPolarHBondContact O-CB 3.22Å; F151-V155 WeakPolarHBondContact O-CG2 3.21Å; F151-V155 PolarHBondContact O-N 3.32Å; F151-E388 HydrophobicContact CB-CG 4.46Å; F151-E388 HydrophobicContact CD2-CB 4.48Å; F151-E388 HydrophobicContact CD2-CG 3.48Å; F151-E388 VanDerWaalsContact CD2-CG 3.48Å; F151-E388 HydrophobicContact CE2-CB 4.41Å; F151-E388 HydrophobicContact CE2-CG 3.85Å; F151-E388 HydrophobicContact CG-CG 4.11Å
152	G	43.3	Very low	42.3	Very low	37 Å²	37	86.3 Å²	86.3	38%	0.381	46%	0.457	S	S	.	.	H	α-helix	trans	-56	-42.7	167.1	0	0	0	0	0	111.9	L148 V149 V156	L148-G152 PolarHBondContact O-N 2.85Å; V149-G152 PolarHBondContact O-N 3.02Å; G152-V156 WeakPolarHBondContact O-CB 3.5Å; G152-V156 VanDerWaalsContact O-CG2 3.27Å; G152-V156 WeakPolarHBondContact O-CG2 3.38Å; G152-V156 PolarHBondContact O-N 3Å
153	L	42.2	Very low	41.9	Very low	112 Å²	112	87.5 Å²	87.5	59%	0.586	46%	0.455	S	S	*	.	H	α-helix	trans	-73.3	-34.6	176.3	-70.6	169.3	0	0	0	113.6	V149 A150 F151 V156 F157	V149-L153 HydrophobicContact CG1-CD1 4.28Å; V149-L153 WeakPolarHBondContact O-CG 3.01Å; V149-L153 PolarHBondContact O-N 2.76Å; A150-L153 CarbonylContact O-C 3.5Å; A150-L153 PolarHBondContact O-N 3.38Å; F151-L153 VanDerWaalsContact C-N 3.26Å; F151-L153 PolarHBondContact O-N 3.46Å; L153-V156 CarbonylContact O-C 3.57Å; L153-V156 WeakPolarHBondContact O-CB 3.28Å; L153-V156 PolarHBondContact O-N 2.82Å; L153-F157 WeakPolarHBondContact O-CB 3.33Å; L153-F157 PolarHBondContact O-N 3.48Å
154	L	44.4	Very low	41.4	Very low	116 Å²	116	86.1 Å²	86.1	61%	0.607	45%	0.454	S	S	*	.	H	α-helix	trans	-81.8	-31.6	179.1	-81.6	166.1	0	0	0	112.7	A150 F151 F157 G158	A150-L154 VanDerWaalsContact O-CB 3.24Å; A150-L154 WeakPolarHBondContact O-CB 3.46Å; A150-L154 WeakPolarHBondContact O-CG 3.39Å; A150-L154 PolarHBondContact O-N 3.18Å; F151-L154 PolarHBondContact O-N 3.32Å; L154-F157 PolarHBondContact O-N 3.4Å; L154-G158 WeakPolarHBondContact O-CA 3.45Å; L154-G158 PolarHBondContact O-N 3.33Å
155	V	41.3	Very low	41.2	Very low	44 Å²	44	93.1 Å²	93.1	27%	0.267	47%	0.473	S	S	.	.	H	α-helix	trans	-58.5	-51.9	160.5	166.8	0	0	0	0	107.5	F151 F157 Y159	F151-V155 HydrophobicContact CD1-CG2 3.9Å; F151-V155 HydrophobicContact CD2-CG2 4.34Å; F151-V155 HydrophobicContact CE1-CG2 3.66Å; F151-V155 HydrophobicContact CE2-CG2 4.13Å; F151-V155 HydrophobicContact CG-CG2 4.25Å; F151-V155 HydrophobicContact CZ-CG2 3.79Å; F151-V155 WeakPolarHBondContact O-CA 3.27Å; F151-V155 WeakPolarHBondContact O-CB 3.22Å; F151-V155 WeakPolarHBondContact O-CG2 3.21Å; F151-V155 PolarHBondContact O-N 3.32Å; V155-F157 VanDerWaalsContact C-N 3.31Å; V155-F157 PolarHBondContact O-N 3.32Å; V155-Y159 HydrophobicContact CG1-CD2 3.86Å; V155-Y159 HydrophobicContact CG1-CE2 3.83Å; V155-Y159 HydrophobicContact CG1-CG 4.34Å; V155-Y159 WeakPolarHBondContact O-CA 3.31Å; V155-Y159 WeakPolarHBondContact O-CB 3.43Å; V155-Y159 WeakPolarHBondContact O-CD2 3.45Å; V155-Y159 VanDerWaalsContact O-CG 3.29Å; V155-Y159 PolarHBondContact O-N 3.06Å
156	V	40.7	Very low	40.8	Very low	80 Å²	80	93.4 Å²	93.4	49%	0.485	47%	0.474	S	S	.	.	H	α-helix	trans	-57.3	-39.7	173.6	166.3	0	0	0	0	112.4	G152 L153 L160	G152-V156 WeakPolarHBondContact O-CB 3.5Å; G152-V156 VanDerWaalsContact O-CG2 3.27Å; G152-V156 WeakPolarHBondContact O-CG2 3.38Å; G152-V156 PolarHBondContact O-N 3Å; L153-V156 CarbonylContact O-C 3.57Å; L153-V156 WeakPolarHBondContact O-CB 3.28Å; L153-V156 PolarHBondContact O-N 2.82Å; V156-L160 HydrophobicContact CG1-CD1 4.06Å; V156-L160 HydrophobicContact CG1-CG 4.45Å; V156-L160 VanDerWaalsContact O-CB 3.27Å; V156-L160 WeakPolarHBondContact O-CB 3.35Å; V156-L160 WeakPolarHBondContact O-CG 3.4Å; V156-L160 PolarHBondContact O-N 3.08Å
157	F	38.9	Very low	40.1	Very low	137 Å²	137	91.2 Å²	91.2	60%	0.601	47%	0.465	S	S	*	.	H	α-helix	trans	-80.1	-41.8	-175.3	-139.5	-93.3	0	0	0	114.6	L153 L154 V155 Y159 L160 L161	L153-F157 WeakPolarHBondContact O-CB 3.33Å; L153-F157 PolarHBondContact O-N 3.48Å; L154-F157 PolarHBondContact O-N 3.4Å; V155-F157 VanDerWaalsContact C-N 3.31Å; V155-F157 PolarHBondContact O-N 3.32Å; F157-Y159 VanDerWaalsContact C-N 3.35Å; F157-L160 HydrophobicContact CD2-CD1 4.22Å; F157-L160 WeakPolarHBondContact O-CB 3.35Å; F157-L160 PolarHBondContact O-N 3.49Å; F157-L161 PolarHBondContact O-N 3.44Å
158	G	37.9	Very low	39.7	Very low	35 Å²	35	93.4 Å²	93.4	36%	0.361	48%	0.479	S	S	.	.	H	α-helix	trans	-68.4	-36.1	171.2	0	0	0	0	0	111.5	L154 L161 K162	L154-G158 WeakPolarHBondContact O-CA 3.45Å; L154-G158 PolarHBondContact O-N 3.33Å; G158-L161 WeakPolarHBondContact O-CB 3.26Å; G158-L161 PolarHBondContact O-N 3.02Å; G158-K162 PolarHBondContact O-N 3.46Å; G158-K162 VanDerWaalsContact O-N 3.14Å
159	Y	38.7	Very low	39.2	Very low	113 Å²	113	92.6 Å²	92.6	44%	0.443	48%	0.481	S	S	.	.	H	α-helix	trans	-70.1	-33.2	169.5	-74	-129.7	0	0	0	110.5	Y58 V155 F157 L161 K162 W163	Y58-Y159 HydrophobicContact CD1-CE1 4.3Å; Y58-Y159 AromaticContact CE1-CD1 3.7Å; Y58-Y159 HydrophobicContact CE1-CD1 3.7Å; Y58-Y159 AromaticContact CE1-CE1 3.73Å; Y58-Y159 HydrophobicContact CE1-CE1 3.73Å; Y58-Y159 AromaticContact CZ-CD1 3.78Å; Y58-Y159 AromaticContact CZ-CE1 4Å; Y58-Y159 WeakPolarHBondContact OH-CD1 3.4Å; V155-Y159 HydrophobicContact CG1-CD2 3.86Å; V155-Y159 HydrophobicContact CG1-CE2 3.83Å; V155-Y159 HydrophobicContact CG1-CG 4.34Å; V155-Y159 WeakPolarHBondContact O-CA 3.31Å; V155-Y159 WeakPolarHBondContact O-CB 3.43Å; V155-Y159 WeakPolarHBondContact O-CD2 3.45Å; V155-Y159 VanDerWaalsContact O-CG 3.29Å; V155-Y159 PolarHBondContact O-N 3.06Å; F157-Y159 VanDerWaalsContact C-N 3.35Å; Y159-L161 PolarHBondContact O-N 2.84Å; Y159-K162 CarbonylContact O-C 3.6Å; Y159-K162 PolarHBondContact O-N 3.37Å; Y159-W163 WeakPolarHBondContact O-CA 3.41Å; Y159-W163 WeakPolarHBondContact O-CB 3.36Å; Y159-W163 PolarHBondContact O-N 2.93Å
160	L	33.1	Very low	38.5	Very low	70 Å²	70	90.7 Å²	90.7	37%	0.366	47%	0.468	S	S	.	.	H	α-helix	trans	-60.2	-30.8	169.1	-83.3	167.9	0	0	0	112.4	V156 F157 W163 K164	V156-L160 HydrophobicContact CG1-CD1 4.06Å; V156-L160 HydrophobicContact CG1-CG 4.45Å; V156-L160 VanDerWaalsContact O-CB 3.27Å; V156-L160 WeakPolarHBondContact O-CB 3.35Å; V156-L160 WeakPolarHBondContact O-CG 3.4Å; V156-L160 PolarHBondContact O-N 3.08Å; F157-L160 HydrophobicContact CD2-CD1 4.22Å; F157-L160 WeakPolarHBondContact O-CB 3.35Å; F157-L160 PolarHBondContact O-N 3.49Å; L160-W163 HydrophobicContact CD2-CD2 4.01Å; L160-W163 HydrophobicContact CD2-CE3 3.37Å; L160-W163 HydrophobicContact CD2-CZ3 3.76Å; L160-W163 CarbonylContact O-C 3.53Å; L160-W163 VanDerWaalsContact O-CB 3.27Å; L160-W163 WeakPolarHBondContact O-CB 3.33Å; L160-W163 PolarHBondContact O-N 3.41Å; L160-K164 PolarHBondContact O-N 2.93Å
161	L	37.8	Very low	38.1	Very low	118 Å²	118	91.1 Å²	91.1	62%	0.618	47%	0.472	S	S	*	.	H	α-helix	trans	-72.4	-41.7	172.6	-73.4	165	0	0	0	112.5	F157 G158 Y159 W163 K164	F157-L161 PolarHBondContact O-N 3.44Å; G158-L161 WeakPolarHBondContact O-CB 3.26Å; G158-L161 PolarHBondContact O-N 3.02Å; Y159-L161 PolarHBondContact O-N 2.84Å; L161-W163 VanDerWaalsContact C-N 3.28Å; L161-W163 PolarHBondContact O-N 2.73Å; L161-K164 WeakPolarHBondContact O-CB 3.35Å; L161-K164 PolarHBondContact O-N 3.23Å
162	K	39.9	Very low	37.9	Very low	138 Å²	138	94.4 Å²	94.4	60%	0.6	48%	0.483	S	S	*	.	H	α-helix	trans	-67.7	-28.8	167.2	-77.7	-178.6	177.9	173.4	0	112.1	G158 Y159 R165 T166	G158-K162 PolarHBondContact O-N 3.46Å; G158-K162 VanDerWaalsContact O-N 3.14Å; Y159-K162 CarbonylContact O-C 3.6Å; Y159-K162 PolarHBondContact O-N 3.37Å; K162-R165 PolarHBondContact O-N 3.07Å; K162-T166 PolarHBondContact O-N 3Å; K162-T166 PolarHBondContact O-OG1 3.46Å
163	W	33.8	Very low	37.5	Very low	121 Å²	121	97.1 Å²	97.1	46%	0.458	48%	0.484	S	S	.	.	H	α-helix	trans	-63.6	-43.2	173	-149.4	62.9	0	0	0	108.2	Y159 L160 L161 R165 T166 V167	Y159-W163 WeakPolarHBondContact O-CA 3.41Å; Y159-W163 WeakPolarHBondContact O-CB 3.36Å; Y159-W163 PolarHBondContact O-N 2.93Å; L160-W163 HydrophobicContact CD2-CD2 4.01Å; L160-W163 HydrophobicContact CD2-CE3 3.37Å; L160-W163 HydrophobicContact CD2-CZ3 3.76Å; L160-W163 CarbonylContact O-C 3.53Å; L160-W163 VanDerWaalsContact O-CB 3.27Å; L160-W163 WeakPolarHBondContact O-CB 3.33Å; L160-W163 PolarHBondContact O-N 3.41Å; L161-W163 VanDerWaalsContact C-N 3.28Å; L161-W163 PolarHBondContact O-N 2.73Å; W163-R165 PolarHBondContact O-N 2.83Å; W163-T166 CarbonylContact O-C 3.47Å; W163-T166 WeakPolarHBondContact O-CA 3.08Å; W163-T166 WeakPolarHBondContact O-CB 3.23Å; W163-T166 PolarHBondContact O-N 3.24Å; W163-V167 HydrophobicContact CB-CG2 4.49Å; W163-V167 HydrophobicContact CD2-CG2 3.6Å; W163-V167 HydrophobicContact CE3-CG2 3.83Å; W163-V167 HydrophobicContact CG-CG2 3.84Å; W163-V167 HydrophobicContact CZ3-CG2 4.47Å; W163-V167 WeakPolarHBondContact O-CA 3.22Å; W163-V167 WeakPolarHBondContact O-CB 3.39Å; W163-V167 WeakPolarHBondContact O-CG2 3.27Å; W163-V167 PolarHBondContact O-N 3.23Å
164	K	36.8	Very low	37.2	Very low	157 Å²	157	94.6 Å²	94.6	68%	0.683	47%	0.473	S	S	*	.	H	α-helix	trans	-51.2	-36.5	175.3	-163.5	175.8	-176.8	178	0	113.6	L160 L161 S168	L160-K164 PolarHBondContact O-N 2.93Å; L161-K164 WeakPolarHBondContact O-CB 3.35Å; L161-K164 PolarHBondContact O-N 3.23Å; K164-S168 WeakPolarHBondContact O-CB 3.48Å; K164-S168 PolarHBondContact O-N 2.87Å; K164-S168 PolarHBondContact O-OG 3.39Å
165	R	40.1	Very low	36.9	Very low	213 Å²	213	94.4 Å²	94.4	80%	0.804	47%	0.469	S	S	*	.	H	α-helix	trans	-82.5	-32.1	176	-149.1	177.2	-165.6	173.2	3.9	113.3	K162 W163 S168 S169	K162-R165 PolarHBondContact O-N 3.07Å; W163-R165 PolarHBondContact O-N 2.83Å; R165-S168 PolarHBondContact O-OG 3.34Å; R165-S169 PolarHBondContact O-N 3.43Å
166	T	35	Very low	36.8	Very low	44 Å²	44	96.4 Å²	96.4	27%	0.27	48%	0.478	S	S	.	.	H	α-helix	trans	-66.7	-47.1	170.5	-44.9	0	0	0	0	110.3	K162 W163 S169 L170	K162-T166 PolarHBondContact O-N 3Å; K162-T166 PolarHBondContact O-OG1 3.46Å; W163-T166 CarbonylContact O-C 3.47Å; W163-T166 WeakPolarHBondContact O-CA 3.08Å; W163-T166 WeakPolarHBondContact O-CB 3.23Å; W163-T166 PolarHBondContact O-N 3.24Å; T166-S169 CarbonylContact O-C 3.43Å; T166-S169 WeakPolarHBondContact O-CB 3.5Å; T166-S169 PolarHBondContact O-N 3.48Å; T166-L170 WeakPolarHBondContact O-CB 3.43Å; T166-L170 PolarHBondContact O-N 3.5Å
167	V	31.8	Very low	36.8	Very low	49 Å²	49	95.2 Å²	95.2	30%	0.297	47%	0.467	S	S	.	.	H	α-helix	trans	-69.2	-27.7	179.2	172.4	0	0	0	0	111.5	W163 A171	W163-V167 HydrophobicContact CB-CG2 4.49Å; W163-V167 HydrophobicContact CD2-CG2 3.6Å; W163-V167 HydrophobicContact CE3-CG2 3.83Å; W163-V167 HydrophobicContact CG-CG2 3.84Å; W163-V167 HydrophobicContact CZ3-CG2 4.47Å; W163-V167 WeakPolarHBondContact O-CA 3.22Å; W163-V167 WeakPolarHBondContact O-CB 3.39Å; W163-V167 WeakPolarHBondContact O-CG2 3.27Å; W163-V167 PolarHBondContact O-N 3.23Å; V167-A171 WeakPolarHBondContact O-CA 3.42Å; V167-A171 WeakPolarHBondContact O-CB 3.34Å; V167-A171 PolarHBondContact O-N 2.86Å
168	S	38.8	Very low	37	Very low	73 Å²	73	93.2 Å²	93.2	51%	0.51	46%	0.462	S	S	.	.	H	α-helix	trans	-68.8	-42.1	168	63.8	0	0	0	0	111.6	K164 R165 Y172	K164-S168 WeakPolarHBondContact O-CB 3.48Å; K164-S168 PolarHBondContact O-N 2.87Å; K164-S168 PolarHBondContact O-OG 3.39Å; R165-S168 PolarHBondContact O-OG 3.34Å; S168-Y172 VanDerWaalsContact O-CB 3.3Å; S168-Y172 WeakPolarHBondContact O-CB 3.49Å; S168-Y172 PolarHBondContact O-N 2.81Å
169	S	35.8	Very low	37.4	Very low	79 Å²	79	95.3 Å²	95.3	55%	0.552	47%	0.465	S	S	*	.	H	α-helix	trans	-68.2	-36.4	174.6	-170.4	0	0	0	0	112.6	R165 T166 F173	R165-S169 PolarHBondContact O-N 3.43Å; T166-S169 CarbonylContact O-C 3.43Å; T166-S169 WeakPolarHBondContact O-CB 3.5Å; T166-S169 PolarHBondContact O-N 3.48Å; S169-F173 WeakPolarHBondContact O-CB 3.44Å; S169-F173 PolarHBondContact O-N 3.29Å
170	L	31.5	Very low	37.7	Very low	48 Å²	48	93.8 Å²	93.8	25%	0.251	46%	0.461	S	S	.	.	H	α-helix	trans	-85.2	-29.3	-177.1	-166.1	145.7	0	0	0	111.9	Y66 T166 F173 V174	Y66-L170 HydrophobicContact CD1-CD1 3.9Å; Y66-L170 HydrophobicContact CD1-CD2 4.16Å; Y66-L170 HydrophobicContact CD2-CD1 4.07Å; Y66-L170 HydrophobicContact CE1-CD1 3.57Å; Y66-L170 HydrophobicContact CE1-CD2 3.53Å; Y66-L170 HydrophobicContact CE1-CG 4.23Å; Y66-L170 HydrophobicContact CE2-CD1 3.75Å; Y66-L170 HydrophobicContact CG-CD1 4.15Å; Y66-L170 VanDerWaalsContact CZ-CD1 3.49Å; T166-L170 WeakPolarHBondContact O-CB 3.43Å; T166-L170 PolarHBondContact O-N 3.5Å; L170-F173 PolarHBondContact O-N 2.77Å; L170-V174 HydrophobicContact CD2-CG2 3.96Å; L170-V174 VanDerWaalsContact O-CB 3.26Å; L170-V174 WeakPolarHBondContact O-CB 3.22Å; L170-V174 VanDerWaalsContact O-CG2 3.23Å; L170-V174 WeakPolarHBondContact O-CG2 3.45Å; L170-V174 PolarHBondContact O-N 2.78Å
171	A	35.1	Very low	38.3	Very low	50 Å²	50	90.8 Å²	90.8	41%	0.413	45%	0.446	S	S	.	.	H	α-helix	trans	-64.9	-43.5	163.5	0	0	0	0	0	110.1	V167 F173 V174 E175	V167-A171 WeakPolarHBondContact O-CA 3.42Å; V167-A171 WeakPolarHBondContact O-CB 3.34Å; V167-A171 PolarHBondContact O-N 2.86Å; A171-F173 VanDerWaalsContact C-N 3.3Å; A171-F173 PolarHBondContact O-N 3.43Å; A171-V174 CarbonylContact O-C 3.6Å; A171-V174 PolarHBondContact O-N 3.29Å; A171-E175 WeakPolarHBondContact O-CA 3.48Å; A171-E175 WeakPolarHBondContact O-CB 3.31Å; A171-E175 PolarHBondContact O-N 3.26Å
172	Y	39.3	Very low	39	Very low	149 Å²	149	87 Å²	87	58%	0.584	43%	0.429	S	S	*	.	H	α-helix	trans	-60.9	-37.6	172.8	-179.1	-109.7	0	0	0	112.4	S168 L176	S168-Y172 VanDerWaalsContact O-CB 3.3Å; S168-Y172 WeakPolarHBondContact O-CB 3.49Å; S168-Y172 PolarHBondContact O-N 2.81Å; Y172-L176 HydrophobicContact CD1-CD1 3.9Å; Y172-L176 HydrophobicContact CE1-CD1 3.51Å; Y172-L176 HydrophobicContact CE1-CG 4.49Å; Y172-L176 HydrophobicContact CE2-CD1 4.47Å; Y172-L176 WeakPolarHBondContact O-CB 3.49Å; Y172-L176 WeakPolarHBondContact O-CG 3.46Å; Y172-L176 PolarHBondContact O-N 3.38Å
173	F	35	Very low	39.5	Very low	93 Å²	93	84.1 Å²	84.1	41%	0.408	42%	0.418	S	S	.	.	H	α-helix	trans	-71.8	-41.5	175.3	-164.6	-93.2	0	0	0	113	S169 L170 A171 E175 L176 Q177	S169-F173 WeakPolarHBondContact O-CB 3.44Å; S169-F173 PolarHBondContact O-N 3.29Å; L170-F173 PolarHBondContact O-N 2.77Å; A171-F173 VanDerWaalsContact C-N 3.3Å; A171-F173 PolarHBondContact O-N 3.43Å; F173-E175 VanDerWaalsContact C-N 3.33Å; F173-L176 WeakPolarHBondContact O-CB 3.36Å; F173-L176 PolarHBondContact O-N 2.93Å; F173-Q177 HydrophobicContact CD1-CG 4.2Å; F173-Q177 HydrophobicContact CE1-CG 4.1Å; F173-Q177 WeakPolarHBondContact O-CG 3.4Å; F173-Q177 PolarHBondContact O-N 2.84Å
174	V	34.7	Very low	40.1	Very low	60 Å²	60	79 Å²	79	36%	0.364	40%	0.399	S	S	.	.	H	α-helix	trans	-67.8	-34.5	173.9	166.7	0	0	0	0	110.8	L170 A171 Q177 L178	L170-V174 HydrophobicContact CD2-CG2 3.96Å; L170-V174 VanDerWaalsContact O-CB 3.26Å; L170-V174 WeakPolarHBondContact O-CB 3.22Å; L170-V174 VanDerWaalsContact O-CG2 3.23Å; L170-V174 WeakPolarHBondContact O-CG2 3.45Å; L170-V174 PolarHBondContact O-N 2.78Å; A171-V174 CarbonylContact O-C 3.6Å; A171-V174 PolarHBondContact O-N 3.29Å; V174-Q177 PolarHBondContact O-N 3.27Å; V174-L178 HydrophobicContact CG1-CD1 3.81Å; V174-L178 HydrophobicContact CG1-CG 4.22Å; V174-L178 VanDerWaalsContact O-CB 3.22Å; V174-L178 WeakPolarHBondContact O-CB 3.37Å; V174-L178 WeakPolarHBondContact O-CG 3.44Å; V174-L178 PolarHBondContact O-N 2.8Å
175	E	39.2	Very low	40.9	Very low	111 Å²	111	78.4 Å²	78.4	52%	0.519	39%	0.393	S	S	.	.	H	α-helix	trans	-69.1	-40.4	173	-179.7	171.1	-152.9	0	0	110.8	A171 F173 L178 N179	A171-E175 WeakPolarHBondContact O-CA 3.48Å; A171-E175 WeakPolarHBondContact O-CB 3.31Å; A171-E175 PolarHBondContact O-N 3.26Å; F173-E175 VanDerWaalsContact C-N 3.33Å; E175-L178 PolarHBondContact O-N 3.13Å; E175-N179 WeakPolarHBondContact CG-ND2 3.35Å; E175-N179 WeakPolarHBondContact O-CB 3.43Å; E175-N179 VanDerWaalsContact O-CG 3.28Å; E175-N179 PolarHBondContact O-N 3.02Å; E175-N179 PolarHBondContact O-ND2 2.93Å
176	L	39.9	Very low	41.6	Very low	87 Å²	87	74.5 Å²	74.5	46%	0.455	38%	0.382	S	S	.	.	H	α-helix	trans	-61.3	-43.3	168.5	-86.4	164.5	0	0	0	112	Y172 F173 N179 F180	Y172-L176 HydrophobicContact CD1-CD1 3.9Å; Y172-L176 HydrophobicContact CE1-CD1 3.51Å; Y172-L176 HydrophobicContact CE1-CG 4.49Å; Y172-L176 HydrophobicContact CE2-CD1 4.47Å; Y172-L176 WeakPolarHBondContact O-CB 3.49Å; Y172-L176 WeakPolarHBondContact O-CG 3.46Å; Y172-L176 PolarHBondContact O-N 3.38Å; F173-L176 WeakPolarHBondContact O-CB 3.36Å; F173-L176 PolarHBondContact O-N 2.93Å; L176-N179 PolarHBondContact O-N 3.33Å; L176-F180 VanDerWaalsContact O-CB 3.27Å; L176-F180 WeakPolarHBondContact O-CB 3.41Å; L176-F180 PolarHBondContact O-N 2.82Å
177	Q	40.6	Very low	42.3	Very low	55 Å²	55	72.7 Å²	72.7	26%	0.257	37%	0.37	S	S	.	.	H	α-helix	trans	-69	-40	176.8	-74.8	-175.5	-65.1	0	0	112.5	F173 V174 F180 D181	F173-Q177 HydrophobicContact CD1-CG 4.2Å; F173-Q177 HydrophobicContact CE1-CG 4.1Å; F173-Q177 WeakPolarHBondContact O-CG 3.4Å; F173-Q177 PolarHBondContact O-N 2.84Å; V174-Q177 PolarHBondContact O-N 3.27Å; Q177-F180 PolarHBondContact O-N 3.49Å; Q177-D181 VanDerWaalsContact O-CB 3.26Å; Q177-D181 WeakPolarHBondContact O-CB 3.48Å; Q177-D181 PolarHBondContact O-N 3.39Å
178	L	41.4	Very low	43.2	Very low	94 Å²	94	73 Å²	73	49%	0.492	37%	0.37	S	S	.	.	H	α-helix	trans	-67.5	-38.2	174.7	-75.8	170.8	0	0	0	111.2	V174 E175 S182	V174-L178 HydrophobicContact CG1-CD1 3.81Å; V174-L178 HydrophobicContact CG1-CG 4.22Å; V174-L178 VanDerWaalsContact O-CB 3.22Å; V174-L178 WeakPolarHBondContact O-CB 3.37Å; V174-L178 WeakPolarHBondContact O-CG 3.44Å; V174-L178 PolarHBondContact O-N 2.8Å; E175-L178 PolarHBondContact O-N 3.13Å; L178-S182 WeakPolarHBondContact O-CA 3.31Å; L178-S182 WeakPolarHBondContact O-CB 3.42Å; L178-S182 PolarHBondContact O-N 3.21Å
179	N	47.8	Very low	44.1	Very low	80 Å²	80	77.5 Å²	77.5	43%	0.428	38%	0.376	S	S	.	.	H	α-helix	trans	-67.9	-43.4	173.2	-81.1	-48.3	0	0	0	111.5	E175 L176 S182 Q183	E175-N179 WeakPolarHBondContact CG-ND2 3.35Å; E175-N179 WeakPolarHBondContact O-CB 3.43Å; E175-N179 VanDerWaalsContact O-CG 3.28Å; E175-N179 PolarHBondContact O-N 3.02Å; E175-N179 PolarHBondContact O-ND2 2.93Å; L176-N179 PolarHBondContact O-N 3.33Å; N179-S182 WeakPolarHBondContact O-CB 3.3Å; N179-S182 PolarHBondContact O-N 3.4Å; N179-Q183 WeakPolarHBondContact O-CB 3.45Å; N179-Q183 VanDerWaalsContact O-CG 3.25Å; N179-Q183 WeakPolarHBondContact O-CG 3.38Å; N179-Q183 PolarHBondContact O-N 2.61Å
180	F	44	Very low	45	Very low	80 Å²	80	75.8 Å²	75.8	35%	0.351	36%	0.36	S	S	.	.	H	α-helix	trans	-63.4	-49.2	174.4	-177.6	-99.5	0	0	0	111.5	L176 Q177 S182 Q183 V184 L236	L176-F180 VanDerWaalsContact O-CB 3.27Å; L176-F180 WeakPolarHBondContact O-CB 3.41Å; L176-F180 PolarHBondContact O-N 2.82Å; Q177-F180 PolarHBondContact O-N 3.49Å; F180-S182 PolarHBondContact O-N 2.73Å; F180-Q183 PolarHBondContact O-N 3Å; F180-V184 HydrophobicContact CD1-CG2 4.15Å; F180-V184 HydrophobicContact CD2-CG2 4.39Å; F180-V184 HydrophobicContact CE1-CG2 3.82Å; F180-V184 HydrophobicContact CE2-CG2 4.08Å; F180-V184 HydrophobicContact CG-CG2 4.43Å; F180-V184 HydrophobicContact CZ-CG2 3.78Å; F180-V184 WeakPolarHBondContact O-CB 3.33Å; F180-V184 VanDerWaalsContact O-CG2 3.31Å; F180-V184 WeakPolarHBondContact O-CG2 3.35Å; F180-V184 PolarHBondContact O-N 2.58Å; F180-L236 HydrophobicContact CD2-CD2 4.35Å; F180-L236 HydrophobicContact CE2-CD2 4.03Å
181	D	47.1	Very low	46	Very low	8 Å²	8	73.7 Å²	73.7	4%	0.043	35%	0.349	C	S	.	.	H	α-helix	trans	-63.7	-28.6	174.5	-76.9	-31.4	0	0	0	112.2	R77 Q177 R185 Y301	R77-D181 IonicContact CZ-OD2 2.58Å; R77-D181 IonicContact NH1-OD1 3.86Å; R77-D181 PolarHBondContact NH1-OD1 3.18Å; R77-D181 VanDerWaalsContact NH1-OD1 3.11Å; R77-D181 IonicContact NH1-OD2 3.19Å; R77-D181 PolarHBondContact NH1-OD2 3.41Å; R77-D181 IonicContact NH2-OD2 2.67Å; R77-D181 PolarHBondContact NH2-OD2 3.22Å; Q177-D181 VanDerWaalsContact O-CB 3.26Å; Q177-D181 WeakPolarHBondContact O-CB 3.48Å; Q177-D181 PolarHBondContact O-N 3.39Å; D181-R185 WeakPolarHBondContact O-CB 3.5Å; D181-R185 WeakPolarHBondContact O-CG 3.36Å; D181-R185 PolarHBondContact O-N 3.49Å; D181-R185 PolarHBondContact O-NE 3.45Å; D181-Y301 PolarHBondContact OD1-OH 3.44Å; D181-Y301 VanDerWaalsContact OD1-OH 3.14Å
182	S	51.9	Low	47	Very low	38 Å²	38	78 Å²	78	27%	0.266	36%	0.355	S	S	.	.	H	α-helix	trans	-73.3	-46.2	174.8	-180	0	0	0	0	110.6	L178 N179 F180 R185 K186	L178-S182 WeakPolarHBondContact O-CA 3.31Å; L178-S182 WeakPolarHBondContact O-CB 3.42Å; L178-S182 PolarHBondContact O-N 3.21Å; N179-S182 WeakPolarHBondContact O-CB 3.3Å; N179-S182 PolarHBondContact O-N 3.4Å; F180-S182 PolarHBondContact O-N 2.73Å; S182-R185 PolarHBondContact O-N 3.18Å; S182-K186 VanDerWaalsContact O-CB 3.27Å; S182-K186 WeakPolarHBondContact O-CB 3.42Å; S182-K186 WeakPolarHBondContact O-CG 3.45Å; S182-K186 PolarHBondContact O-N 2.9Å
183	Q	49.6	Very low	47.9	Very low	78 Å²	78	75.4 Å²	75.4	36%	0.364	35%	0.348	S	S	.	.	H	α-helix	trans	-62.3	-47.9	174.4	-73.4	170.2	1	0	0	111.1	N179 F180 K186 M187	N179-Q183 WeakPolarHBondContact O-CB 3.45Å; N179-Q183 VanDerWaalsContact O-CG 3.25Å; N179-Q183 WeakPolarHBondContact O-CG 3.38Å; N179-Q183 PolarHBondContact O-N 2.61Å; F180-Q183 PolarHBondContact O-N 3Å; Q183-K186 PolarHBondContact O-N 2.93Å; Q183-M187 VanDerWaalsContact O-CB 3.26Å; Q183-M187 WeakPolarHBondContact O-CB 3.36Å; Q183-M187 PolarHBondContact O-N 3.49Å
184	V	47.1	Very low	49	Very low	12 Å²	12	72 Å²	72	7%	0.073	33%	0.333	C	S	.	.	H	α-helix	trans	-64.4	-42.7	176.2	172.8	0	0	0	0	111.1	F180 M187 L188 F297	F180-V184 HydrophobicContact CD1-CG2 4.15Å; F180-V184 HydrophobicContact CD2-CG2 4.39Å; F180-V184 HydrophobicContact CE1-CG2 3.82Å; F180-V184 HydrophobicContact CE2-CG2 4.08Å; F180-V184 HydrophobicContact CG-CG2 4.43Å; F180-V184 HydrophobicContact CZ-CG2 3.78Å; F180-V184 WeakPolarHBondContact O-CB 3.33Å; F180-V184 VanDerWaalsContact O-CG2 3.31Å; F180-V184 WeakPolarHBondContact O-CG2 3.35Å; F180-V184 PolarHBondContact O-N 2.58Å; V184-M187 PolarHBondContact O-N 2.87Å; V184-L188 HydrophobicContact CG1-CD1 3.73Å; V184-L188 HydrophobicContact CG1-CG 4.16Å; V184-L188 VanDerWaalsContact O-CB 3.28Å; V184-L188 WeakPolarHBondContact O-CB 3.48Å; V184-L188 WeakPolarHBondContact O-CG 3.28Å; V184-L188 PolarHBondContact O-N 2.93Å; V184-F297 HydrophobicContact CG1-CD2 4.24Å
185	R	53.3	Low	49.9	Very low	145 Å²	145	69.3 Å²	69.3	55%	0.547	32%	0.317	S	S	.	.	H	α-helix	trans	-67.1	-35.6	175.1	-76.5	177.3	-75.6	-169.9	-3.5	112.9	D181 S182 R189	D181-R185 WeakPolarHBondContact O-CB 3.5Å; D181-R185 WeakPolarHBondContact O-CG 3.36Å; D181-R185 PolarHBondContact O-N 3.49Å; D181-R185 PolarHBondContact O-NE 3.45Å; S182-R185 PolarHBondContact O-N 3.18Å; R185-R189 WeakPolarHBondContact O-CB 3.28Å; R185-R189 PolarHBondContact O-N 3.29Å
186	K	54.1	Low	50.7	Low	132 Å²	132	68.3 Å²	68.3	57%	0.574	31%	0.314	S	S	*	.	H	α-helix	trans	-65.6	-48.5	172	-76.1	171.5	-178.4	-176.6	0	110.9	S182 Q183 R189 L190	S182-K186 VanDerWaalsContact O-CB 3.27Å; S182-K186 WeakPolarHBondContact O-CB 3.42Å; S182-K186 WeakPolarHBondContact O-CG 3.45Å; S182-K186 PolarHBondContact O-N 2.9Å; Q183-K186 PolarHBondContact O-N 2.93Å; K186-R189 WeakPolarHBondContact O-CB 3.27Å; K186-R189 PolarHBondContact O-N 3.37Å; K186-R189 VanDerWaalsContact O-N 3.16Å; K186-L190 WeakPolarHBondContact O-CB 3.37Å; K186-L190 WeakPolarHBondContact O-CG 3.27Å; K186-L190 PolarHBondContact O-N 3.43Å
187	M	49.8	Very low	51.3	Low	6 Å²	6	66.4 Å²	66.4	3%	0.03	31%	0.306	C	S	.	.	H	α-helix	trans	-63.2	-46	179.7	-169.8	58.8	168.8	0	0	111.7	Q183 V184 R189 L190 I191 I229 T232 Y293	Q183-M187 VanDerWaalsContact O-CB 3.26Å; Q183-M187 WeakPolarHBondContact O-CB 3.36Å; Q183-M187 PolarHBondContact O-N 3.49Å; V184-M187 PolarHBondContact O-N 2.87Å; M187-R189 VanDerWaalsContact C-N 3.28Å; M187-R189 PolarHBondContact O-N 3.07Å; M187-L190 PolarHBondContact O-N 2.83Å; M187-I191 HydrophobicContact CE-CD1 4.19Å; M187-I191 HydrophobicContact CG-CD1 3.87Å; M187-I191 VanDerWaalsContact O-CB 3.31Å; M187-I191 WeakPolarHBondContact O-CB 3.37Å; M187-I191 WeakPolarHBondContact O-CD1 3.48Å; M187-I191 WeakPolarHBondContact O-CG1 3.49Å; M187-I191 PolarHBondContact O-N 3.3Å; M187-I191 HydrophobicContact SD-CD1 4.33Å; M187-I191 HydrophobicContact SD-CG1 4.48Å; M187-I229 HydrophobicContact CE-CG2 4.33Å; M187-T232 HydrophobicContact CB-CG2 4.19Å; M187-T232 HydrophobicContact CE-CG2 4.44Å; M187-T232 HydrophobicContact CG-CG2 4.11Å; M187-T232 HydrophobicContact SD-CG2 3.75Å; M187-Y293 HydrophobicContact CE-CE2 4.1Å; M187-Y293 HydrophobicContact CG-CD2 4.47Å; M187-Y293 HydrophobicContact CG-CE2 4.09Å
188	L	52.1	Low	51.9	Low	54 Å²	54	64 Å²	64	28%	0.283	30%	0.295	S	S	.	.	H	α-helix	trans	-64.7	-30.3	174.5	-69	174.6	0	0	0	112.6	V184 R192 R290	V184-L188 HydrophobicContact CG1-CD1 3.73Å; V184-L188 HydrophobicContact CG1-CG 4.16Å; V184-L188 VanDerWaalsContact O-CB 3.28Å; V184-L188 WeakPolarHBondContact O-CB 3.48Å; V184-L188 WeakPolarHBondContact O-CG 3.28Å; V184-L188 PolarHBondContact O-N 2.93Å; L188-R192 WeakPolarHBondContact O-CB 3.44Å; L188-R192 PolarHBondContact O-N 2.75Å; L188-R192 VanDerWaalsContact O-N 3.11Å; L188-R290 HydrophobicContact CD2-CG 3.54Å
189	R	57	Low	52.5	Low	168 Å²	168	64.4 Å²	64.4	63%	0.634	29%	0.293	S	S	*	.	H	α-helix	trans	-70.4	-52.2	172.1	176.1	-179.4	-67.4	-176.3	-2.3	111.2	R185 K186 M187 I191 R192 E193	R185-R189 WeakPolarHBondContact O-CB 3.28Å; R185-R189 PolarHBondContact O-N 3.29Å; K186-R189 WeakPolarHBondContact O-CB 3.27Å; K186-R189 PolarHBondContact O-N 3.37Å; K186-R189 VanDerWaalsContact O-N 3.16Å; M187-R189 VanDerWaalsContact C-N 3.28Å; M187-R189 PolarHBondContact O-N 3.07Å; R189-I191 PolarHBondContact O-N 2.89Å; R189-R192 CarbonylContact O-C 3.55Å; R189-R192 WeakPolarHBondContact O-CA 3.39Å; R189-R192 WeakPolarHBondContact O-CB 3.45Å; R189-R192 PolarHBondContact O-N 3.46Å; R189-E193 VanDerWaalsContact CD-OE1 3.27Å; R189-E193 WeakPolarHBondContact CD-OE1 3.38Å; R189-E193 VanDerWaalsContact CG-CD 3.45Å; R189-E193 HydrophobicContact CG-CG 4.32Å; R189-E193 WeakPolarHBondContact CG-OE1 3.5Å; R189-E193 WeakPolarHBondContact O-CG 3.33Å; R189-E193 PolarHBondContact O-N 3.02Å
190	L	54.8	Low	52.7	Low	44 Å²	44	61 Å²	61	23%	0.23	28%	0.278	C	S	.	.	H	α-helix	trans	-58.2	-46.1	178.6	-71.5	168.1	0	0	0	111.4	K186 M187 R192 E193 Q194 L225	K186-L190 WeakPolarHBondContact O-CB 3.37Å; K186-L190 WeakPolarHBondContact O-CG 3.27Å; K186-L190 PolarHBondContact O-N 3.43Å; M187-L190 PolarHBondContact O-N 2.83Å; L190-R192 VanDerWaalsContact C-N 3.33Å; L190-R192 PolarHBondContact O-N 3.07Å; L190-E193 PolarHBondContact O-N 3.37Å; L190-Q194 VanDerWaalsContact O-CB 3.32Å; L190-Q194 WeakPolarHBondContact O-CB 3.3Å; L190-Q194 PolarHBondContact O-N 2.67Å; L190-L225 HydrophobicContact CD2-CD1 4.25Å
191	I	52	Low	53	Low	3 Å²	3	58.1 Å²	58.1	2%	0.015	27%	0.267	C	S	.	.	H	α-helix	trans	-58.2	-44.7	173	-70.9	164.7	0	0	0	110.8	M187 R189 Q194 E195 T289 R290 Y293	M187-I191 HydrophobicContact CE-CD1 4.19Å; M187-I191 HydrophobicContact CG-CD1 3.87Å; M187-I191 VanDerWaalsContact O-CB 3.31Å; M187-I191 WeakPolarHBondContact O-CB 3.37Å; M187-I191 WeakPolarHBondContact O-CD1 3.48Å; M187-I191 WeakPolarHBondContact O-CG1 3.49Å; M187-I191 PolarHBondContact O-N 3.3Å; M187-I191 HydrophobicContact SD-CD1 4.33Å; M187-I191 HydrophobicContact SD-CG1 4.48Å; R189-I191 PolarHBondContact O-N 2.89Å; I191-Q194 PolarHBondContact O-N 3.35Å; I191-E195 HydrophobicContact CG2-CG 4.35Å; I191-E195 WeakPolarHBondContact O-CB 3.46Å; I191-E195 WeakPolarHBondContact O-CG 3.19Å; I191-E195 PolarHBondContact O-N 2.8Å; I191-T289 HydrophobicContact CD1-CG2 3.93Å; I191-R290 HydrophobicContact CG2-CB 3.85Å; I191-R290 HydrophobicContact CG2-CG 4.11Å; I191-Y293 HydrophobicContact CD1-CD2 4.37Å
192	R	56.5	Low	53.2	Low	141 Å²	141	60.3 Å²	60.3	53%	0.532	28%	0.278	S	S	.	.	H	α-helix	trans	-67.8	-37.2	179.2	-178.4	173.8	178.8	160.7	0.7	112.8	L188 R189 L190 E195 I196	L188-R192 WeakPolarHBondContact O-CB 3.44Å; L188-R192 PolarHBondContact O-N 2.75Å; L188-R192 VanDerWaalsContact O-N 3.11Å; R189-R192 CarbonylContact O-C 3.55Å; R189-R192 WeakPolarHBondContact O-CA 3.39Å; R189-R192 WeakPolarHBondContact O-CB 3.45Å; R189-R192 PolarHBondContact O-N 3.46Å; L190-R192 VanDerWaalsContact C-N 3.33Å; L190-R192 PolarHBondContact O-N 3.07Å; R192-E195 PolarHBondContact O-N 2.88Å; R192-I196 HydrophobicContact CG-CD1 3.97Å; R192-I196 WeakPolarHBondContact O-CB 3.39Å; R192-I196 WeakPolarHBondContact O-CD1 3.42Å; R192-I196 WeakPolarHBondContact O-CG1 3.44Å; R192-I196 PolarHBondContact O-N 3.14Å
193	E	57.8	Low	53.1	Low	95 Å²	95	65.7 Å²	65.7	44%	0.444	29%	0.293	S	S	.	.	H	α-helix	trans	-65.8	-44.7	175	-74.4	161.2	178.9	0	0	110	R189 L190 I196 V197	R189-E193 VanDerWaalsContact CD-OE1 3.27Å; R189-E193 WeakPolarHBondContact CD-OE1 3.38Å; R189-E193 VanDerWaalsContact CG-CD 3.45Å; R189-E193 HydrophobicContact CG-CG 4.32Å; R189-E193 WeakPolarHBondContact CG-OE1 3.5Å; R189-E193 WeakPolarHBondContact O-CG 3.33Å; R189-E193 PolarHBondContact O-N 3.02Å; L190-E193 PolarHBondContact O-N 3.37Å; E193-I196 PolarHBondContact O-N 3.44Å; E193-V197 WeakPolarHBondContact O-CG2 3.44Å; E193-V197 PolarHBondContact O-N 3.04Å
194	Q	57.4	Low	53.2	Low	22 Å²	22	68.6 Å²	68.6	10%	0.103	31%	0.311	C	S	.	.	H	α-helix	trans	-65.1	-39.5	174.2	-165.9	175	21.9	0	0	112.6	L190 I191 V197 C198 L225 I282 T286	L190-Q194 VanDerWaalsContact O-CB 3.32Å; L190-Q194 WeakPolarHBondContact O-CB 3.3Å; L190-Q194 PolarHBondContact O-N 2.67Å; I191-Q194 PolarHBondContact O-N 3.35Å; Q194-V197 PolarHBondContact O-N 3.2Å; Q194-C198 WeakPolarHBondContact O-CB 3.15Å; Q194-C198 PolarHBondContact O-N 3.06Å; Q194-C198 PolarHBondContact O-SG 3.39Å; Q194-L225 HydrophobicContact CG-CD2 4.24Å; Q194-I282 HydrophobicContact CG-CG2 4.21Å; Q194-T286 HydrophobicContact CG-CG2 4.32Å; Q194-T286 VanDerWaalsContact OE1-CG2 3.25Å
195	E	54.8	Low	53.4	Low	3 Å²	3	72.7 Å²	72.7	1%	0.014	34%	0.34	C	S	.	.	H	α-helix	trans	-60.4	-44	171.2	-83.3	-178.6	-150.9	0	0	111.5	I191 R192 C198 F199 F283 R290	I191-E195 HydrophobicContact CG2-CG 4.35Å; I191-E195 WeakPolarHBondContact O-CB 3.46Å; I191-E195 WeakPolarHBondContact O-CG 3.19Å; I191-E195 PolarHBondContact O-N 2.8Å; R192-E195 PolarHBondContact O-N 2.88Å; E195-C198 PolarHBondContact O-N 3.34Å; E195-F199 WeakPolarHBondContact O-CB 3.44Å; E195-F199 PolarHBondContact O-N 3.48Å; E195-F283 HydrophobicContact CB-CD2 4.29Å; E195-F283 HydrophobicContact CB-CE2 3.98Å; E195-F283 HydrophobicContact CG-CD2 4.17Å; E195-F283 HydrophobicContact CG-CE2 3.98Å; E195-R290 WeakPolarHBondContact OE1-CD 3.36Å; E195-R290 IonicContact OE1-CZ 3.74Å; E195-R290 VanDerWaalsContact OE1-CZ 3.26Å; E195-R290 IonicContact OE1-NE 3.18Å; E195-R290 IonicContact OE1-NH1 3.88Å; E195-R290 PolarHBondContact OE1-NH1 2.89Å; E195-R290 IonicContact OE2-CZ 2.88Å; E195-R290 IonicContact OE2-NH1 3.63Å; E195-R290 PolarHBondContact OE2-NH1 3.1Å
196	I	54.9	Low	53.2	Low	89 Å²	89	74.6 Å²	74.6	46%	0.456	35%	0.352	S	S	.	.	H	α-helix	trans	-65.1	-43.4	178.3	-73	164	0	0	0	110.9	R192 E193 G200	R192-I196 HydrophobicContact CG-CD1 3.97Å; R192-I196 WeakPolarHBondContact O-CB 3.39Å; R192-I196 WeakPolarHBondContact O-CD1 3.42Å; R192-I196 WeakPolarHBondContact O-CG1 3.44Å; R192-I196 PolarHBondContact O-N 3.14Å; E193-I196 PolarHBondContact O-N 3.44Å; I196-G200 PolarHBondContact O-N 3.06Å
197	V	54	Low	52.7	Low	48 Å²	48	74.1 Å²	74.1	29%	0.291	35%	0.352	S	S	.	.	H	α-helix	trans	-62.6	-49.1	175.7	170.6	0	0	0	0	110.8	E193 Q194 F199 G200 C201 F217	E193-V197 WeakPolarHBondContact O-CG2 3.44Å; E193-V197 PolarHBondContact O-N 3.04Å; Q194-V197 PolarHBondContact O-N 3.2Å; V197-F199 PolarHBondContact O-N 3.23Å; V197-G200 PolarHBondContact O-N 2.94Å; V197-C201 PolarHBondContact O-N 2.93Å; V197-C201 PolarHBondContact O-SG 3.41Å; V197-F217 HydrophobicContact CG1-CE2 4.39Å
198	C	53.2	Low	52.4	Low	5 Å²	5	74.3 Å²	74.3	3%	0.034	36%	0.355	C	S	.	.	H	α-helix	trans	-63.4	-44.1	178.7	-64.9	0	0	0	0	111.7	Q194 E195 G200 C201 L202 F283	Q194-C198 WeakPolarHBondContact O-CB 3.15Å; Q194-C198 PolarHBondContact O-N 3.06Å; Q194-C198 PolarHBondContact O-SG 3.39Å; E195-C198 PolarHBondContact O-N 3.34Å; C198-G200 VanDerWaalsContact C-N 3.32Å; C198-G200 PolarHBondContact O-N 2.91Å; C198-C201 PolarHBondContact O-N 2.94Å; C198-L202 WeakPolarHBondContact O-CB 3.35Å; C198-L202 WeakPolarHBondContact O-CD1 3.44Å; C198-L202 WeakPolarHBondContact O-CG 3.38Å; C198-L202 PolarHBondContact O-N 3.36Å; C198-F283 HydrophobicContact CB-CB 3.96Å; C198-F283 HydrophobicContact CB-CD2 3.92Å; C198-F283 HydrophobicContact CB-CG 4.37Å
199	F	53.5	Low	51.8	Low	101 Å²	101	74.9 Å²	74.9	44%	0.443	36%	0.363	S	S	.	.	H	α-helix	trans	-64.1	-36.2	176.7	-173.1	-94.1	0	0	0	112.2	E195 V197 L202 R203 F283	E195-F199 WeakPolarHBondContact O-CB 3.44Å; E195-F199 PolarHBondContact O-N 3.48Å; V197-F199 PolarHBondContact O-N 3.23Å; F199-L202 PolarHBondContact O-N 3.06Å; F199-R203 PolarHBondContact O-N 2.97Å; F199-F283 HydrophobicContact CB-CE2 4.2Å; F199-F283 HydrophobicContact CD2-CZ 4.4Å
200	G	50.9	Low	51.2	Low	10 Å²	10	70 Å²	70	10%	0.103	36%	0.355	C	S	.	.	H	α-helix	trans	-63.8	-40.7	172.2	0	0	0	0	0	113.1	I196 V197 C198 L202 R203	I196-G200 PolarHBondContact O-N 3.06Å; V197-G200 PolarHBondContact O-N 2.94Å; C198-G200 VanDerWaalsContact C-N 3.32Å; C198-G200 PolarHBondContact O-N 2.91Å; G200-L202 VanDerWaalsContact C-N 3.32Å; G200-R203 PolarHBondContact O-N 3.39Å
201	C	50.6	Low	50.6	Low	18 Å²	18	71.7 Å²	71.7	12%	0.122	36%	0.364	C	S	.	.	H	α-helix	trans	-73.4	-21.6	175.2	-60.5	0	0	0	0	113.4	V197 C198 R203 L279	V197-C201 PolarHBondContact O-N 2.93Å; V197-C201 PolarHBondContact O-SG 3.41Å; C198-C201 PolarHBondContact O-N 2.94Å; C201-R203 VanDerWaalsContact C-N 3.33Å; C201-L279 HydrophobicContact CB-CD1 3.79Å
202	L	51.6	Low	50.1	Low	55 Å²	55	74.9 Å²	74.9	29%	0.288	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	0.1	175.5	-70.6	167.5	0	0	0	113.5	C198 F199 G200 L276 K280 F283	C198-L202 WeakPolarHBondContact O-CB 3.35Å; C198-L202 WeakPolarHBondContact O-CD1 3.44Å; C198-L202 WeakPolarHBondContact O-CG 3.38Å; C198-L202 PolarHBondContact O-N 3.36Å; F199-L202 PolarHBondContact O-N 3.06Å; G200-L202 VanDerWaalsContact C-N 3.32Å; L202-L276 HydrophobicContact CD2-CD1 4.23Å; L202-L276 HydrophobicContact CD2-CD2 4.03Å; L202-L276 HydrophobicContact CD2-CG 3.85Å; L202-K280 HydrophobicContact CD1-CG 4.42Å; L202-K280 HydrophobicContact CD2-CD 4.44Å; L202-K280 HydrophobicContact CD2-CG 3.73Å; L202-F283 HydrophobicContact CD1-CB 4.48Å; L202-F283 HydrophobicContact CD1-CG 4.45Å
203	R	50.4	Low	49.4	Very low	151 Å²	151	72.7 Å²	72.7	57%	0.57	39%	0.387	S	S	*	.	S	Bend	trans	-110.1	159.6	178.1	-135.5	175.3	-176.2	-174.1	0.8	111	F199 G200 C201	F199-R203 PolarHBondContact O-N 2.97Å; G200-R203 PolarHBondContact O-N 3.39Å; C201-R203 VanDerWaalsContact C-N 3.33Å
204	D	52.3	Low	48.5	Very low	138 Å²	138	78.5 Å²	78.5	74%	0.738	41%	0.406	S	S	*	.			trans	-48.6	143.9	-162.3	-74	-73.6	0	0	0	116.8	K206 Q207 A208	D204-K206 PolarHBondContact O-N 2.89Å; D204-Q207 PolarHBondContact O-N 3.49Å; D204-A208 PolarHBondContact O-N 3.11Å
205	S	50.4	Low	47.5	Very low	99 Å²	99	79.4 Å²	79.4	69%	0.692	42%	0.418	S	S	*	.	H	α-helix	trans	-58	-6.8	-160.4	57.6	0	0	0	0	117.7	S209	S205-S209 PolarHBondContact O-OG 3.49Å
206	K	48.8	Very low	46.8	Very low	185 Å²	185	82.4 Å²	82.4	80%	0.804	44%	0.443	S	S	*	.	H	α-helix	trans	-97.1	-14.9	176.3	-67.2	-174.5	177.6	-179.5	0	114.5	D204	D204-K206 PolarHBondContact O-N 2.89Å
207	Q	44.6	Very low	46.3	Very low	121 Å²	121	81.7 Å²	81.7	57%	0.565	44%	0.437	S	S	*	.	H	α-helix	trans	-101.8	-31.6	169.8	-71.6	-174.1	-12.9	0	0	111.7	D204 S209 S210 L211	D204-Q207 PolarHBondContact O-N 3.49Å; Q207-S209 VanDerWaalsContact C-N 3.29Å; Q207-S209 PolarHBondContact O-N 3.43Å; Q207-S210 PolarHBondContact O-N 2.74Å; Q207-S210 PolarHBondContact O-OG 2.87Å; Q207-S210 VanDerWaalsContact O-OG 3.1Å; Q207-L211 WeakPolarHBondContact O-CB 3.42Å; Q207-L211 PolarHBondContact O-N 2.85Å
208	A	43	Very low	45.9	Very low	11 Å²	11	83.6 Å²	83.6	9%	0.091	45%	0.445	C	S	.	.	H	α-helix	trans	-56.4	-43	171.1	0	0	0	0	0	111.7	D204 L211 L212	D204-A208 PolarHBondContact O-N 3.11Å; A208-L211 PolarHBondContact O-N 3.31Å; A208-L212 VanDerWaalsContact O-CB 3.28Å; A208-L212 WeakPolarHBondContact O-CB 3.42Å; A208-L212 WeakPolarHBondContact O-CD1 3.39Å; A208-L212 WeakPolarHBondContact O-CG 3.35Å; A208-L212 PolarHBondContact O-N 3.35Å
209	S	40.3	Very low	45.5	Very low	65 Å²	65	86.9 Å²	86.9	46%	0.455	47%	0.466	S	S	.	.	H	α-helix	trans	-66.2	-38.9	-179.2	53.4	0	0	0	0	114.1	S205 Q207 S213	S205-S209 PolarHBondContact O-OG 3.49Å; Q207-S209 VanDerWaalsContact C-N 3.29Å; Q207-S209 PolarHBondContact O-N 3.43Å; S209-S213 WeakPolarHBondContact O-CB 3.38Å; S209-S213 PolarHBondContact O-N 3.49Å; S209-S213 PolarHBondContact O-OG 3.44Å
210	S	44	Very low	45.1	Very low	67 Å²	67	84.1 Å²	84.1	47%	0.469	46%	0.46	S	S	.	.	H	α-helix	trans	-71	-38	175.2	57	0	0	0	0	111.9	Q207 S213 Y214	Q207-S210 PolarHBondContact O-N 2.74Å; Q207-S210 PolarHBondContact O-OG 2.87Å; Q207-S210 VanDerWaalsContact O-OG 3.1Å; S210-S213 WeakPolarHBondContact CA-OG 3.43Å; S210-S213 PolarHBondContact O-N 3.22Å; S210-S213 PolarHBondContact O-OG 3.14Å; S210-Y214 PolarHBondContact O-N 3.1Å
211	L	41.7	Very low	44.9	Very low	79 Å²	79	87.2 Å²	87.2	41%	0.414	48%	0.477	S	S	.	.	H	α-helix	trans	-64.4	-42.3	171.6	-85.9	157.8	0	0	0	112.5	Q207 A208 S213 Y214 A215	Q207-L211 WeakPolarHBondContact O-CB 3.42Å; Q207-L211 PolarHBondContact O-N 2.85Å; A208-L211 PolarHBondContact O-N 3.31Å; L211-S213 VanDerWaalsContact C-N 3.29Å; L211-S213 PolarHBondContact O-N 3.3Å; L211-Y214 PolarHBondContact O-N 2.96Å; L211-Y214 VanDerWaalsContact O-N 3.14Å; L211-A215 WeakPolarHBondContact O-CB 3.37Å; L211-A215 PolarHBondContact O-N 3.31Å
212	L	40.7	Very low	44.7	Very low	69 Å²	69	87.3 Å²	87.3	36%	0.361	48%	0.477	S	S	.	.	H	α-helix	trans	-66.5	-28.3	174.8	-73.8	164.3	0	0	0	112.9	A208 Y214 A215 F217	A208-L212 VanDerWaalsContact O-CB 3.28Å; A208-L212 WeakPolarHBondContact O-CB 3.42Å; A208-L212 WeakPolarHBondContact O-CD1 3.39Å; A208-L212 WeakPolarHBondContact O-CG 3.35Å; A208-L212 PolarHBondContact O-N 3.35Å; L212-Y214 VanDerWaalsContact C-N 3.3Å; L212-A215 CarbonylContact O-C 3.45Å; L212-F217 HydrophobicContact CD2-CD2 3.63Å; L212-F217 HydrophobicContact CD2-CE2 3.63Å
213	S	42.1	Very low	44.7	Very low	95 Å²	95	89.4 Å²	89.4	66%	0.664	48%	0.484	S	S	*	.	H	α-helix	trans	-75.9	-17.5	172.9	74.3	0	0	0	0	113.9	S209 S210 L211	S209-S213 WeakPolarHBondContact O-CB 3.38Å; S209-S213 PolarHBondContact O-N 3.49Å; S209-S213 PolarHBondContact O-OG 3.44Å; S210-S213 WeakPolarHBondContact CA-OG 3.43Å; S210-S213 PolarHBondContact O-N 3.22Å; S210-S213 PolarHBondContact O-OG 3.14Å; L211-S213 VanDerWaalsContact C-N 3.29Å; L211-S213 PolarHBondContact O-N 3.3Å
214	Y	38.6	Very low	44.8	Very low	217 Å²	217	87.9 Å²	87.9	85%	0.851	48%	0.484	S	S	*	.	H	α-helix	trans	-101.1	-42.3	179.1	-151.6	-90.6	0	0	0	111.7	S210 L211 L212 A216	S210-Y214 PolarHBondContact O-N 3.1Å; L211-Y214 PolarHBondContact O-N 2.96Å; L211-Y214 VanDerWaalsContact O-N 3.14Å; L212-Y214 VanDerWaalsContact C-N 3.3Å; Y214-A216 VanDerWaalsContact C-N 3.31Å; Y214-A216 PolarHBondContact O-N 3.44Å
215	A	38.4	Very low	44.8	Very low	42 Å²	42	83.4 Å²	83.4	35%	0.347	46%	0.459	S	S	.	.	S	Bend	trans	-89.2	70	165.2	0	0	0	0	0	109	L211 L212 F217	L211-A215 WeakPolarHBondContact O-CB 3.37Å; L211-A215 PolarHBondContact O-N 3.31Å; L212-A215 CarbonylContact O-C 3.45Å; A215-F217 PolarHBondContact O-N 2.92Å; A215-F217 VanDerWaalsContact O-N 3.07Å
216	A	38.1	Very low	45	Very low	66 Å²	66	81 Å²	81	55%	0.545	44%	0.435	S	S	.	.			trans	-56	116	177.1	0	0	0	0	0	110.1	Y214 N218	Y214-A216 VanDerWaalsContact C-N 3.31Å; Y214-A216 PolarHBondContact O-N 3.44Å; A216-N218 PolarHBondContact O-N 3.02Å
217	F	45.9	Very low	45.4	Very low	74 Å²	74	74.2 Å²	74.2	33%	0.325	41%	0.414	S	S	.	.			trans	-70.7	61.9	171.5	-92	-94.2	0	0	0	110.6	V197 L212 A215 P219 C222 L274	V197-F217 HydrophobicContact CG1-CE2 4.39Å; L212-F217 HydrophobicContact CD2-CD2 3.63Å; L212-F217 HydrophobicContact CD2-CE2 3.63Å; A215-F217 PolarHBondContact O-N 2.92Å; A215-F217 VanDerWaalsContact O-N 3.07Å; F217-P219 WeakPolarHBondContact O-CD 3.41Å; F217-C222 WeakPolarHBondContact CD1-SG 3.39Å; F217-C222 VanDerWaalsContact CE1-SG 3.57Å; F217-L274 HydrophobicContact CD1-CD1 3.6Å; F217-L274 HydrophobicContact CD1-CD2 4.02Å; F217-L274 HydrophobicContact CD1-CG 4.41Å; F217-L274 HydrophobicContact CD2-CD1 4.07Å; F217-L274 HydrophobicContact CE1-CD1 3.54Å; F217-L274 HydrophobicContact CE1-CD2 3.49Å; F217-L274 VanDerWaalsContact CE1-CD2 3.49Å; F217-L274 HydrophobicContact CE1-CG 4.17Å; F217-L274 HydrophobicContact CE2-CD1 4Å; F217-L274 HydrophobicContact CG-CD1 3.87Å; F217-L274 HydrophobicContact CZ-CD1 3.74Å; F217-L274 HydrophobicContact CZ-CD2 4.11Å
218	N	45.7	Very low	46	Very low	88 Å²	88	70.7 Å²	70.7	47%	0.471	40%	0.403	S	S	.	.			trans	-63.8	123.4	158.3	179.7	-4	0	0	0	106.7	A216 S220 V221	A216-N218 PolarHBondContact O-N 3.02Å; N218-S220 PolarHBondContact ND2-OG 3.5Å; N218-S220 PolarHBondContact O-N 3.45Å; N218-S220 PolarHBondContact OD1-N 3.28Å; N218-S220 VanDerWaalsContact OD1-N 3.14Å; N218-V221 HydrophobicContact CB-CG2 4.28Å; N218-V221 PolarHBondContact O-N 2.79Å
219	P	44.1	Very low	46.4	Very low	73 Å²	73	71 Å²	71	47%	0.474	40%	0.403	S	S	.	.	H	α-helix	trans	-52.4	-31.5	178.7	-29.4	36.8	0	0	0	112.9	F217 V221 C222 F223	F217-P219 WeakPolarHBondContact O-CD 3.41Å; P219-V221 VanDerWaalsContact C-N 3.31Å; P219-V221 PolarHBondContact O-N 3.26Å; P219-C222 WeakPolarHBondContact O-CB 3.26Å; P219-C222 PolarHBondContact O-N 3.01Å; P219-F223 HydrophobicContact CB-CD2 4.33Å; P219-F223 HydrophobicContact CB-CE2 4.21Å; P219-F223 WeakPolarHBondContact O-CD2 3.24Å; P219-F223 PolarHBondContact O-N 3.39Å
220	S	44.5	Very low	47.3	Very low	44 Å²	44	69.1 Å²	69.1	31%	0.308	39%	0.389	S	S	.	.	H	α-helix	trans	-56.3	-43	176.3	87.7	0	0	0	0	112.4	N218 C222 F223 E224	N218-S220 PolarHBondContact ND2-OG 3.5Å; N218-S220 PolarHBondContact O-N 3.45Å; N218-S220 PolarHBondContact OD1-N 3.28Å; N218-S220 VanDerWaalsContact OD1-N 3.14Å; S220-C222 VanDerWaalsContact C-N 3.28Å; S220-C222 PolarHBondContact O-N 2.9Å; S220-F223 CarbonylContact O-C 3.57Å; S220-F223 PolarHBondContact O-N 2.91Å; S220-F223 VanDerWaalsContact O-N 3.15Å; S220-E224 WeakPolarHBondContact O-CB 3.42Å; S220-E224 VanDerWaalsContact O-CG 3.23Å; S220-E224 WeakPolarHBondContact O-CG 3.38Å; S220-E224 PolarHBondContact O-N 2.74Å; S220-E224 PolarHBondContact OG-OE1 2.78Å; S220-E224 VanDerWaalsContact OG-OE1 3.11Å
221	V	47.1	Very low	48.1	Very low	75 Å²	75	70 Å²	70	46%	0.455	39%	0.388	S	S	.	.	H	α-helix	trans	-66.5	-33.4	179.2	179.4	0	0	0	0	110.9	N218 P219 L225	N218-V221 HydrophobicContact CB-CG2 4.28Å; N218-V221 PolarHBondContact O-N 2.79Å; P219-V221 VanDerWaalsContact C-N 3.31Å; P219-V221 PolarHBondContact O-N 3.26Å; V221-L225 VanDerWaalsContact O-CB 3.24Å; V221-L225 WeakPolarHBondContact O-CB 3.35Å; V221-L225 PolarHBondContact O-N 3.48Å
222	C	46.4	Very low	48.6	Very low	20 Å²	20	67.6 Å²	67.6	14%	0.135	38%	0.377	C	S	.	.	H	α-helix	trans	-72.8	-34.1	174.4	-68.4	0	0	0	0	112.6	F217 P219 S220 R226 Y263	F217-C222 WeakPolarHBondContact CD1-SG 3.39Å; F217-C222 VanDerWaalsContact CE1-SG 3.57Å; P219-C222 WeakPolarHBondContact O-CB 3.26Å; P219-C222 PolarHBondContact O-N 3.01Å; S220-C222 VanDerWaalsContact C-N 3.28Å; S220-C222 PolarHBondContact O-N 2.9Å; C222-R226 WeakPolarHBondContact O-CB 3.18Å; C222-R226 PolarHBondContact O-N 3.32Å; C222-Y263 HydrophobicContact CB-CE1 4.22Å; C222-Y263 WeakPolarHBondContact O-CE1 3.32Å; C222-Y263 PolarHBondContact O-OH 3.23Å
223	F	51.9	Low	49.1	Very low	98 Å²	98	64.7 Å²	64.7	43%	0.43	36%	0.363	S	S	.	.	H	α-helix	trans	-71.9	-40.8	171.6	-77	-67.4	0	0	0	112.4	P219 S220 L225 R226 A227 E267	P219-F223 HydrophobicContact CB-CD2 4.33Å; P219-F223 HydrophobicContact CB-CE2 4.21Å; P219-F223 WeakPolarHBondContact O-CD2 3.24Å; P219-F223 PolarHBondContact O-N 3.39Å; S220-F223 CarbonylContact O-C 3.57Å; S220-F223 PolarHBondContact O-N 2.91Å; S220-F223 VanDerWaalsContact O-N 3.15Å; F223-L225 VanDerWaalsContact C-N 3.34Å; F223-R226 WeakPolarHBondContact O-CB 3.42Å; F223-R226 PolarHBondContact O-N 2.9Å; F223-A227 WeakPolarHBondContact O-CB 3.44Å; F223-A227 PolarHBondContact O-N 3.15Å; F223-E267 WeakPolarHBondContact CE1-OE1 3.36Å
224	E	53.1	Low	49.8	Very low	120 Å²	120	64.9 Å²	64.9	56%	0.561	35%	0.352	S	S	*	.	H	α-helix	trans	-62.1	-41.2	173.7	-73.4	162.3	-135.6	0	0	110.8	S220 S228	S220-E224 WeakPolarHBondContact O-CB 3.42Å; S220-E224 VanDerWaalsContact O-CG 3.23Å; S220-E224 WeakPolarHBondContact O-CG 3.38Å; S220-E224 PolarHBondContact O-N 2.74Å; S220-E224 PolarHBondContact OG-OE1 2.78Å; S220-E224 VanDerWaalsContact OG-OE1 3.11Å; E224-S228 WeakPolarHBondContact O-CB 3.4Å; E224-S228 PolarHBondContact O-N 3.05Å
225	L	51	Low	50.4	Low	44 Å²	44	56.9 Å²	56.9	23%	0.23	33%	0.33	C	S	.	.	H	α-helix	trans	-69.2	-40.2	174.3	-166.5	69.3	0	0	0	111.9	L190 Q194 V221 F223 S228 I229	L190-L225 HydrophobicContact CD2-CD1 4.25Å; Q194-L225 HydrophobicContact CG-CD2 4.24Å; V221-L225 VanDerWaalsContact O-CB 3.24Å; V221-L225 WeakPolarHBondContact O-CB 3.35Å; V221-L225 PolarHBondContact O-N 3.48Å; F223-L225 VanDerWaalsContact C-N 3.34Å; L225-S228 PolarHBondContact O-N 2.94Å; L225-I229 HydrophobicContact CD1-CD1 4.32Å; L225-I229 HydrophobicContact CD2-CD1 4.46Å; L225-I229 HydrophobicContact CG-CD1 3.88Å; L225-I229 HydrophobicContact CG-CG1 4.49Å; L225-I229 WeakPolarHBondContact O-CB 3.41Å; L225-I229 VanDerWaalsContact O-CG1 3.28Å; L225-I229 WeakPolarHBondContact O-CG1 3.49Å; L225-I229 PolarHBondContact O-N 3.41Å
226	R	54.6	Low	50.9	Low	47 Å²	47	56.1 Å²	56.1	18%	0.177	32%	0.32	C	S	.	.	H	α-helix	trans	-58.2	-49.6	172.6	-176.2	-178.7	176.5	-178	-1.2	110.9	C222 F223 S230 D260 Y263 E267	C222-R226 WeakPolarHBondContact O-CB 3.18Å; C222-R226 PolarHBondContact O-N 3.32Å; F223-R226 WeakPolarHBondContact O-CB 3.42Å; F223-R226 PolarHBondContact O-N 2.9Å; R226-S230 WeakPolarHBondContact O-CB 3.35Å; R226-S230 PolarHBondContact O-N 3.07Å; R226-D260 IonicContact CZ-OD1 3.23Å; R226-D260 VanDerWaalsContact CZ-OD1 3.23Å; R226-D260 IonicContact NE-OD1 2.88Å; R226-D260 PolarHBondContact NE-OD1 3.43Å; R226-D260 IonicContact NH2-OD1 2.73Å; R226-D260 PolarHBondContact NH2-OD1 2.9Å; R226-Y263 HydrophobicContact CB-CE1 3.93Å; R226-Y263 HydrophobicContact CB-CE2 4.08Å; R226-Y263 HydrophobicContact CG-CD1 4.47Å; R226-Y263 HydrophobicContact CG-CD2 4.22Å; R226-Y263 HydrophobicContact CG-CE1 4.34Å; R226-Y263 HydrophobicContact CG-CE2 4.11Å; R226-Y263 HydrophobicContact CG-CG 4.39Å; R226-E267 IonicContact NH1-OE1 2.83Å; R226-E267 PolarHBondContact NH1-OE1 3.3Å
227	A	58.7	Low	51.3	Low	44 Å²	44	58 Å²	58	36%	0.364	32%	0.316	S	S	.	.	H	α-helix	trans	-61.2	-50.1	176.3	0	0	0	0	0	111	F223 I229 S230 D231	F223-A227 WeakPolarHBondContact O-CB 3.44Å; F223-A227 PolarHBondContact O-N 3.15Å; A227-I229 PolarHBondContact O-N 3.17Å; A227-S230 PolarHBondContact O-N 3.17Å; A227-D231 VanDerWaalsContact O-CB 3.27Å; A227-D231 WeakPolarHBondContact O-CB 3.41Å; A227-D231 VanDerWaalsContact O-CG 3.29Å; A227-D231 PolarHBondContact O-N 3.45Å
228	S	55.6	Low	51.4	Low	47 Å²	47	61 Å²	61	33%	0.329	33%	0.334	S	S	.	.	H	α-helix	trans	-59.2	-43.4	179.9	-172	0	0	0	0	113	E224 L225 T232	E224-S228 WeakPolarHBondContact O-CB 3.4Å; E224-S228 PolarHBondContact O-N 3.05Å; L225-S228 PolarHBondContact O-N 2.94Å; S228-T232 WeakPolarHBondContact O-CB 3.32Å; S228-T232 PolarHBondContact O-N 3.48Å; S228-T232 PolarHBondContact O-OG1 2.89Å
229	I	52.8	Low	51.3	Low	18 Å²	18	59.5 Å²	59.5	9%	0.092	33%	0.33	C	S	.	.	H	α-helix	trans	-67.5	-48.2	175.7	-70.6	170.1	0	0	0	110.7	M187 L225 A227 T232 C233 F255	M187-I229 HydrophobicContact CE-CG2 4.33Å; L225-I229 HydrophobicContact CD1-CD1 4.32Å; L225-I229 HydrophobicContact CD2-CD1 4.46Å; L225-I229 HydrophobicContact CG-CD1 3.88Å; L225-I229 HydrophobicContact CG-CG1 4.49Å; L225-I229 WeakPolarHBondContact O-CB 3.41Å; L225-I229 VanDerWaalsContact O-CG1 3.28Å; L225-I229 WeakPolarHBondContact O-CG1 3.49Å; L225-I229 PolarHBondContact O-N 3.41Å; A227-I229 PolarHBondContact O-N 3.17Å; I229-T232 PolarHBondContact O-N 2.8Å; I229-C233 WeakPolarHBondContact O-CB 3.44Å; I229-C233 PolarHBondContact O-N 2.87Å; I229-C233 PolarHBondContact O-SG 2.98Å; I229-F255 HydrophobicContact CG2-CE1 4.41Å
230	S	59.3	Low	51.5	Low	25 Å²	25	65.8 Å²	65.8	18%	0.175	35%	0.35	C	S	.	.	H	α-helix	trans	-61	-45.8	-179.3	-169.5	0	0	0	0	111.5	R226 A227 C233 K234	R226-S230 WeakPolarHBondContact O-CB 3.35Å; R226-S230 PolarHBondContact O-N 3.07Å; A227-S230 PolarHBondContact O-N 3.17Å; S230-C233 PolarHBondContact O-N 3.33Å; S230-K234 VanDerWaalsContact O-CG 3.29Å; S230-K234 WeakPolarHBondContact O-CG 3.32Å; S230-K234 PolarHBondContact O-N 2.95Å; S230-K234 WeakPolarHBondContact OG-CE 3.38Å; S230-K234 PolarHBondContact OG-NZ 3.43Å
231	D	59.5	Low	51.4	Low	84 Å²	84	69.9 Å²	69.9	45%	0.449	36%	0.363	S	S	.	.	H	α-helix	trans	-76.9	-32.2	-178.3	-65.3	-19.9	0	0	0	112.5	A227 C233 K234 A235	A227-D231 VanDerWaalsContact O-CB 3.27Å; A227-D231 WeakPolarHBondContact O-CB 3.41Å; A227-D231 VanDerWaalsContact O-CG 3.29Å; A227-D231 PolarHBondContact O-N 3.45Å; D231-C233 VanDerWaalsContact C-N 3.32Å; D231-K234 PolarHBondContact O-N 2.76Å; D231-K234 WeakPolarHBondContact OD1-CD 3.42Å; D231-K234 IonicContact OD1-NZ 2.94Å; D231-K234 PolarHBondContact OD1-NZ 3.23Å; D231-A235 VanDerWaalsContact O-CB 3.28Å; D231-A235 WeakPolarHBondContact O-CB 3.47Å; D231-A235 PolarHBondContact O-N 3.06Å
232	T	52.2	Low	51.3	Low	30 Å²	30	74.1 Å²	74.1	18%	0.184	37%	0.372	C	S	.	.	H	α-helix	trans	-62.9	-41.5	168.6	-60	0	0	0	0	110.5	M187 S228 I229 L236	M187-T232 HydrophobicContact CB-CG2 4.19Å; M187-T232 HydrophobicContact CE-CG2 4.44Å; M187-T232 HydrophobicContact CG-CG2 4.11Å; M187-T232 HydrophobicContact SD-CG2 3.75Å; S228-T232 WeakPolarHBondContact O-CB 3.32Å; S228-T232 PolarHBondContact O-N 3.48Å; S228-T232 PolarHBondContact O-OG1 2.89Å; I229-T232 PolarHBondContact O-N 2.8Å; T232-L236 HydrophobicContact CG2-CD1 4.14Å; T232-L236 WeakPolarHBondContact O-CD1 3.31Å; T232-L236 VanDerWaalsContact O-CG 3.31Å; T232-L236 WeakPolarHBondContact O-CG 3.42Å; T232-L236 PolarHBondContact O-N 3.45Å
233	C	51.3	Low	51.3	Low	7 Å²	7	78.8 Å²	78.8	5%	0.047	39%	0.387	C	S	.	.	H	α-helix	trans	-64.7	-47	173.8	-66	0	0	0	0	111.6	I229 S230 D231 A235 L236 F237	I229-C233 WeakPolarHBondContact O-CB 3.44Å; I229-C233 PolarHBondContact O-N 2.87Å; I229-C233 PolarHBondContact O-SG 2.98Å; S230-C233 PolarHBondContact O-N 3.33Å; D231-C233 VanDerWaalsContact C-N 3.32Å; C233-A235 PolarHBondContact O-N 3.21Å; C233-L236 PolarHBondContact O-N 3.25Å; C233-F237 HydrophobicContact CB-CD2 4.36Å; C233-F237 HydrophobicContact CB-CE2 4.11Å; C233-F237 WeakPolarHBondContact O-CD2 3.28Å; C233-F237 PolarHBondContact O-N 3.44Å
234	K	56.3	Low	51	Low	100 Å²	100	82.5 Å²	82.5	44%	0.435	41%	0.411	S	S	.	.	H	α-helix	trans	-58.5	-43.4	176.4	-69.9	166.5	-152.1	154.8	0	112.6	S230 D231 L236 F237 I238	S230-K234 VanDerWaalsContact O-CG 3.29Å; S230-K234 WeakPolarHBondContact O-CG 3.32Å; S230-K234 PolarHBondContact O-N 2.95Å; S230-K234 WeakPolarHBondContact OG-CE 3.38Å; S230-K234 PolarHBondContact OG-NZ 3.43Å; D231-K234 PolarHBondContact O-N 2.76Å; D231-K234 WeakPolarHBondContact OD1-CD 3.42Å; D231-K234 IonicContact OD1-NZ 2.94Å; D231-K234 PolarHBondContact OD1-NZ 3.23Å; K234-L236 VanDerWaalsContact C-N 3.28Å; K234-L236 PolarHBondContact O-N 3.26Å; K234-F237 PolarHBondContact O-N 3.39Å; K234-I238 WeakPolarHBondContact O-CG1 3.26Å; K234-I238 PolarHBondContact O-N 2.65Å
235	A	51.2	Low	50.6	Low	48 Å²	48	80.1 Å²	80.1	40%	0.397	40%	0.402	S	S	.	.	H	α-helix	trans	-60.7	-39.5	177.5	0	0	0	0	0	111.7	D231 C233	D231-A235 VanDerWaalsContact O-CB 3.28Å; D231-A235 WeakPolarHBondContact O-CB 3.47Å; D231-A235 PolarHBondContact O-N 3.06Å; C233-A235 PolarHBondContact O-N 3.21Å
236	L	48.8	Very low	50.5	Low	26 Å²	26	81.6 Å²	81.6	14%	0.136	42%	0.42	C	S	.	.	H	α-helix	trans	-70.7	-40	174.7	-67.8	165.1	0	0	0	111.8	F180 T232 C233 K234 I238 S239 Y293	F180-L236 HydrophobicContact CD2-CD2 4.35Å; F180-L236 HydrophobicContact CE2-CD2 4.03Å; T232-L236 HydrophobicContact CG2-CD1 4.14Å; T232-L236 WeakPolarHBondContact O-CD1 3.31Å; T232-L236 VanDerWaalsContact O-CG 3.31Å; T232-L236 WeakPolarHBondContact O-CG 3.42Å; T232-L236 PolarHBondContact O-N 3.45Å; C233-L236 PolarHBondContact O-N 3.25Å; K234-L236 VanDerWaalsContact C-N 3.28Å; K234-L236 PolarHBondContact O-N 3.26Å; L236-I238 VanDerWaalsContact C-N 3.28Å; L236-I238 PolarHBondContact O-N 3.07Å; L236-S239 PolarHBondContact O-N 3.26Å; L236-S239 VanDerWaalsContact O-N 3.07Å; L236-S239 PolarHBondContact O-OG 3.35Å; L236-Y293 HydrophobicContact CD1-CE1 3.8Å; L236-Y293 WeakPolarHBondContact CD1-OH 3.49Å
237	F	47.9	Very low	49.8	Very low	105 Å²	105	85.1 Å²	85.1	46%	0.461	44%	0.443	S	S	.	.	H	α-helix	trans	-60.7	-30.4	173.9	-78.2	-60.7	0	0	0	114.3	C233 K234 S239 F252	C233-F237 HydrophobicContact CB-CD2 4.36Å; C233-F237 HydrophobicContact CB-CE2 4.11Å; C233-F237 WeakPolarHBondContact O-CD2 3.28Å; C233-F237 PolarHBondContact O-N 3.44Å; K234-F237 PolarHBondContact O-N 3.39Å; F237-S239 VanDerWaalsContact C-N 3.27Å; F237-F252 HydrophobicContact CE1-CB 3.84Å; F237-F252 HydrophobicContact CZ-CB 3.86Å; F237-F252 WeakPolarHBondContact CZ-O 3.44Å
238	I	47.5	Very low	49	Very low	138 Å²	138	84.9 Å²	84.9	71%	0.708	44%	0.435	S	S	*	.	H	α-helix	trans	-73	-23.6	177	-69.5	164.3	0	0	0	111.2	K234 L236 K240	K234-I238 WeakPolarHBondContact O-CG1 3.26Å; K234-I238 PolarHBondContact O-N 2.65Å; L236-I238 VanDerWaalsContact C-N 3.28Å; L236-I238 PolarHBondContact O-N 3.07Å; I238-K240 PolarHBondContact O-N 2.94Å
239	S	44.4	Very low	48.7	Very low	56 Å²	56	85.6 Å²	85.6	39%	0.392	44%	0.435	S	S	.	.	S	Bend	trans	-78	112.8	173	77.9	0	0	0	0	110.6	L236 F237 F241	L236-S239 PolarHBondContact O-N 3.26Å; L236-S239 VanDerWaalsContact O-N 3.07Å; L236-S239 PolarHBondContact O-OG 3.35Å; F237-S239 VanDerWaalsContact C-N 3.27Å; S239-F241 PolarHBondContact O-N 3.18Å
240	K	47.7	Very low	48.4	Very low	206 Å²	206	89.8 Å²	89.8	90%	0.896	46%	0.458	S	S	*	.			trans	-72.6	36.3	-174	-64.1	-173.6	173.8	-175.3	0	115	I238 Y242	I238-K240 PolarHBondContact O-N 2.94Å; K240-Y242 PolarHBondContact O-N 3.22Å
241	F	43	Very low	47.7	Very low	130 Å²	130	90.2 Å²	90.2	57%	0.57	46%	0.463	S	S	*	.			trans	-97.1	84.6	-174.7	-80.4	-78	0	0	0	112.3	S239	S239-F241 PolarHBondContact O-N 3.18Å
242	Y	43	Very low	47	Very low	163 Å²	163	88.9 Å²	88.9	64%	0.639	45%	0.453	S	S	*	.			trans	67.8	163.1	175.3	-54.1	-81.4	0	0	0	112.2	K240	K240-Y242 PolarHBondContact O-N 3.22Å
243	W	46.7	Very low	47	Very low	119 Å²	119	94.5 Å²	94.5	45%	0.451	48%	0.475	S	S	.	.			cis	-139.5	153.8	24.5	-58	62.4	0	0	0	110.6	D245 L248 N249 A296	W243-D245 VanDerWaalsContact C-N 3.27Å; W243-D245 HydrophobicContact CB-CB 4.38Å; W243-L248 HydrophobicContact CB-CD2 4.47Å; W243-L248 HydrophobicContact CD2-CD2 3.74Å; W243-L248 HydrophobicContact CE3-CD2 3.94Å; W243-L248 HydrophobicContact CG-CD2 3.96Å; W243-N249 PolarHBondContact O-ND2 3.38Å; W243-A296 HydrophobicContact CZ2-CB 4.15Å
244	D	45.8	Very low	47	Very low	175 Å²	175	97 Å²	97	94%	0.936	49%	0.489	S	S	*	.			trans	-82.7	0.7	171	-75	-48	0	0	0	113.7	A246	D244-A246 PolarHBondContact O-N 3.13Å
245	D	45.9	Very low	46.6	Very low	71 Å²	71	93.7 Å²	93.7	38%	0.38	48%	0.475	S	S	.	.			trans	-71.3	115.5	178.3	-179	-32.8	0	0	0	110.6	W243 D247 L248 N249	W243-D245 VanDerWaalsContact C-N 3.27Å; W243-D245 HydrophobicContact CB-CB 4.38Å; D245-D247 PolarHBondContact OD1-N 3Å; D245-L248 HydrophobicContact CB-CB 3.88Å; D245-L248 PolarHBondContact OD1-N 3.26Å; D245-N249 WeakPolarHBondContact O-CB 3.38Å; D245-N249 PolarHBondContact O-N 2.71Å; D245-N249 PolarHBondContact O-ND2 3.19Å
246	A	48.4	Very low	46.8	Very low	74 Å²	74	93.5 Å²	93.5	61%	0.612	47%	0.47	S	S	*	.	H	α-helix	trans	-68.1	-35.9	-176.2	0	0	0	0	0	113.2	D244 N249 L250	D244-A246 PolarHBondContact O-N 3.13Å; A246-N249 PolarHBondContact O-N 3.46Å; A246-L250 VanDerWaalsContact O-CB 3.27Å; A246-L250 WeakPolarHBondContact O-CB 3.28Å; A246-L250 PolarHBondContact O-N 3.05Å
247	D	40.1	Very low	47.2	Very low	122 Å²	122	97.1 Å²	97.1	65%	0.652	49%	0.488	S	S	*	.	H	α-helix	trans	-76.1	-36.2	-179.3	-74.6	-27.5	0	0	0	111	D245 A251	D245-D247 PolarHBondContact OD1-N 3Å; D247-A251 WeakPolarHBondContact O-CB 3.26Å; D247-A251 PolarHBondContact O-N 2.9Å
248	L	42.6	Very low	47.5	Very low	38 Å²	38	94.9 Å²	94.9	20%	0.199	48%	0.481	C	S	.	.	H	α-helix	trans	-59.7	-52.8	167.5	-115.7	69	0	0	0	110.4	W243 D245 L250 A251 F252	W243-L248 HydrophobicContact CB-CD2 4.47Å; W243-L248 HydrophobicContact CD2-CD2 3.74Å; W243-L248 HydrophobicContact CE3-CD2 3.94Å; W243-L248 HydrophobicContact CG-CD2 3.96Å; D245-L248 HydrophobicContact CB-CB 3.88Å; D245-L248 PolarHBondContact OD1-N 3.26Å; L248-L250 VanDerWaalsContact C-N 3.33Å; L248-L250 PolarHBondContact O-N 2.72Å; L248-A251 PolarHBondContact O-N 3.46Å; L248-F252 HydrophobicContact CB-CD2 4.28Å; L248-F252 HydrophobicContact CB-CE2 4.35Å; L248-F252 HydrophobicContact CD2-CE2 4.01Å; L248-F252 HydrophobicContact CG-CD2 4.2Å; L248-F252 HydrophobicContact CG-CE2 3.79Å; L248-F252 VanDerWaalsContact O-CB 3.29Å; L248-F252 WeakPolarHBondContact O-CB 3.38Å; L248-F252 WeakPolarHBondContact O-CD2 3.22Å; L248-F252 WeakPolarHBondContact O-CG 3.37Å; L248-F252 PolarHBondContact O-N 3.32Å
249	N	48.4	Very low	47.8	Very low	62 Å²	62	89.5 Å²	89.5	33%	0.332	46%	0.455	S	S	.	.	H	α-helix	trans	-59.8	-40.3	179.8	-85.4	-68.6	0	0	0	112.7	W243 D245 A246 K253	W243-N249 PolarHBondContact O-ND2 3.38Å; D245-N249 WeakPolarHBondContact O-CB 3.38Å; D245-N249 PolarHBondContact O-N 2.71Å; D245-N249 PolarHBondContact O-ND2 3.19Å; A246-N249 PolarHBondContact O-N 3.46Å; N249-K253 WeakPolarHBondContact O-CB 3.47Å; N249-K253 VanDerWaalsContact O-CG 3.24Å; N249-K253 WeakPolarHBondContact O-CG 3.28Å; N249-K253 PolarHBondContact O-N 3.38Å
250	L	47	Very low	48.4	Very low	107 Å²	107	89.4 Å²	89.4	56%	0.56	45%	0.45	S	S	*	.	H	α-helix	trans	-66.5	-52.3	177.4	-175.7	66.7	0	0	0	110.8	A246 L248 F252 K253 V254	A246-L250 VanDerWaalsContact O-CB 3.27Å; A246-L250 WeakPolarHBondContact O-CB 3.28Å; A246-L250 PolarHBondContact O-N 3.05Å; L248-L250 VanDerWaalsContact C-N 3.33Å; L248-L250 PolarHBondContact O-N 2.72Å; L250-F252 VanDerWaalsContact C-N 3.26Å; L250-F252 PolarHBondContact O-N 3.12Å; L250-K253 PolarHBondContact O-N 3.04Å; L250-K253 VanDerWaalsContact O-N 3.09Å; L250-V254 WeakPolarHBondContact O-CG2 3.4Å; L250-V254 PolarHBondContact O-N 3.38Å
251	A	43.7	Very low	48.9	Very low	34 Å²	34	82.1 Å²	82.1	28%	0.281	42%	0.423	S	S	.	.	H	α-helix	trans	-64.4	-30.1	-179.9	0	0	0	0	0	112.7	D247 L248 F255 R292	D247-A251 WeakPolarHBondContact O-CB 3.26Å; D247-A251 PolarHBondContact O-N 2.9Å; L248-A251 PolarHBondContact O-N 3.46Å; A251-F255 WeakPolarHBondContact O-CB 3.36Å; A251-F255 PolarHBondContact O-N 2.88Å; A251-F255 VanDerWaalsContact O-N 3.17Å; A251-R292 VanDerWaalsContact CB-NH1 3.28Å
252	F	45.8	Very low	49.4	Very low	55 Å²	55	76.1 Å²	76.1	24%	0.241	40%	0.397	C	S	.	.	H	α-helix	trans	-75.5	-34.4	171.5	-77.4	-53.9	0	0	0	112.9	F237 L248 L250 F255 P256	F237-F252 HydrophobicContact CE1-CB 3.84Å; F237-F252 HydrophobicContact CZ-CB 3.86Å; F237-F252 WeakPolarHBondContact CZ-O 3.44Å; L248-F252 HydrophobicContact CB-CD2 4.28Å; L248-F252 HydrophobicContact CB-CE2 4.35Å; L248-F252 HydrophobicContact CD2-CE2 4.01Å; L248-F252 HydrophobicContact CG-CD2 4.2Å; L248-F252 HydrophobicContact CG-CE2 3.79Å; L248-F252 VanDerWaalsContact O-CB 3.29Å; L248-F252 WeakPolarHBondContact O-CB 3.38Å; L248-F252 WeakPolarHBondContact O-CD2 3.22Å; L248-F252 WeakPolarHBondContact O-CG 3.37Å; L248-F252 PolarHBondContact O-N 3.32Å; L250-F252 VanDerWaalsContact C-N 3.26Å; L250-F252 PolarHBondContact O-N 3.12Å; F252-F255 WeakPolarHBondContact O-CB 3.47Å; F252-F255 PolarHBondContact O-N 3.01Å; F252-P256 WeakPolarHBondContact O-CD 3.13Å
253	K	50.8	Low	49.9	Very low	148 Å²	148	69.1 Å²	69.1	64%	0.643	37%	0.37	S	S	*	.	H	α-helix	trans	-68.8	-34.3	172.8	-78.7	171.2	-178.3	175.2	0	113.2	N249 L250 P256	N249-K253 WeakPolarHBondContact O-CB 3.47Å; N249-K253 VanDerWaalsContact O-CG 3.24Å; N249-K253 WeakPolarHBondContact O-CG 3.28Å; N249-K253 PolarHBondContact O-N 3.38Å; L250-K253 PolarHBondContact O-N 3.04Å; L250-K253 VanDerWaalsContact O-N 3.09Å; K253-P256 WeakPolarHBondContact O-CD 3.16Å
254	V	51.3	Low	50.6	Low	59 Å²	59	67 Å²	67	36%	0.358	37%	0.366	S	S	.	.	H	α-helix	trans	-76.1	-24.5	175.4	177.9	0	0	0	0	111.5	L250 I257 D258	L250-V254 WeakPolarHBondContact O-CG2 3.4Å; L250-V254 PolarHBondContact O-N 3.38Å; V254-I257 CarbonylContact O-C 3.59Å; V254-I257 WeakPolarHBondContact O-CA 3.29Å; V254-I257 VanDerWaalsContact O-CB 3.3Å; V254-I257 WeakPolarHBondContact O-CB 3.49Å; V254-I257 PolarHBondContact O-N 3.26Å; V254-D258 PolarHBondContact O-N 3.27Å
255	F	49.6	Very low	51.2	Low	32 Å²	32	62.3 Å²	62.3	14%	0.14	34%	0.339	C	S	.	.	H	α-helix	trans	-53	-47.2	-174.4	-176.2	-93.5	0	0	0	115.7	I229 A251 F252 I257 D258 V259 V285 T289	I229-F255 HydrophobicContact CG2-CE1 4.41Å; A251-F255 WeakPolarHBondContact O-CB 3.36Å; A251-F255 PolarHBondContact O-N 2.88Å; A251-F255 VanDerWaalsContact O-N 3.17Å; F252-F255 WeakPolarHBondContact O-CB 3.47Å; F252-F255 PolarHBondContact O-N 3.01Å; F255-I257 VanDerWaalsContact C-N 3.27Å; F255-I257 PolarHBondContact O-N 2.89Å; F255-D258 PolarHBondContact O-N 2.85Å; F255-V259 HydrophobicContact CE1-CG2 4.2Å; F255-V259 HydrophobicContact CZ-CG2 4.22Å; F255-V259 WeakPolarHBondContact O-CG2 3.41Å; F255-V259 PolarHBondContact O-N 3.5Å; F255-V285 HydrophobicContact CD2-CG1 4.32Å; F255-V285 HydrophobicContact CE2-CG1 3.54Å; F255-V285 HydrophobicContact CZ-CG1 4.22Å; F255-T289 WeakPolarHBondContact CE2-OG1 3.5Å; F255-T289 HydrophobicContact CZ-CG2 4.3Å
256	P	53.5	Low	51.5	Low	44 Å²	44	61.5 Å²	61.5	29%	0.286	33%	0.332	S	S	.	.	H	α-helix	trans	-62.8	-36.4	174.7	-20.1	33.4	0	0	0	111.9	F252 K253 V259 D260	F252-P256 WeakPolarHBondContact O-CD 3.13Å; K253-P256 WeakPolarHBondContact O-CD 3.16Å; P256-V259 PolarHBondContact O-N 2.93Å; P256-D260 WeakPolarHBondContact O-CB 3.43Å; P256-D260 PolarHBondContact O-N 3.25Å
257	I	57.8	Low	51.8	Low	101 Å²	101	62.5 Å²	62.5	52%	0.518	32%	0.324	S	S	.	.	H	α-helix	trans	-68.2	-42.9	-179.5	-47.6	177.5	0	0	0	110.4	V254 F255 V259 D260 V261	V254-I257 CarbonylContact O-C 3.59Å; V254-I257 WeakPolarHBondContact O-CA 3.29Å; V254-I257 VanDerWaalsContact O-CB 3.3Å; V254-I257 WeakPolarHBondContact O-CB 3.49Å; V254-I257 PolarHBondContact O-N 3.26Å; F255-I257 VanDerWaalsContact C-N 3.27Å; F255-I257 PolarHBondContact O-N 2.89Å; I257-V259 VanDerWaalsContact C-N 3.33Å; I257-V259 PolarHBondContact O-N 3.33Å; I257-D260 PolarHBondContact O-N 3.21Å; I257-V261 HydrophobicContact CG2-CG2 4.15Å; I257-V261 WeakPolarHBondContact O-CB 3.4Å; I257-V261 WeakPolarHBondContact O-CG2 3.43Å; I257-V261 PolarHBondContact O-N 3.16Å
258	D	54.1	Low	52.5	Low	58 Å²	58	64 Å²	64	31%	0.31	33%	0.327	S	S	.	.	H	α-helix	trans	-63.1	-38.7	176	-113.7	-49.7	0	0	0	112.1	V254 F255 A262 R281	V254-D258 PolarHBondContact O-N 3.27Å; F255-D258 PolarHBondContact O-N 2.85Å; D258-A262 WeakPolarHBondContact O-CB 3.47Å; D258-A262 PolarHBondContact O-N 3.12Å; D258-A262 VanDerWaalsContact O-N 3.07Å; D258-R281 IonicContact OD1-CZ 3.9Å; D258-R281 IonicContact OD1-NE 2.74Å; D258-R281 IonicContact OD1-NH2 3.68Å; D258-R281 PolarHBondContact OD1-NH2 2.85Å
259	V	53.5	Low	53	Low	26 Å²	26	66.6 Å²	66.6	16%	0.158	34%	0.338	C	S	.	.	H	α-helix	trans	-67.2	-51.9	174	173.5	0	0	0	0	110.3	F255 P256 I257 V261 A262 Y263	F255-V259 HydrophobicContact CE1-CG2 4.2Å; F255-V259 HydrophobicContact CZ-CG2 4.22Å; F255-V259 WeakPolarHBondContact O-CG2 3.41Å; F255-V259 PolarHBondContact O-N 3.5Å; P256-V259 PolarHBondContact O-N 2.93Å; I257-V259 VanDerWaalsContact C-N 3.33Å; I257-V259 PolarHBondContact O-N 3.33Å; V259-V261 VanDerWaalsContact C-N 3.33Å; V259-V261 PolarHBondContact O-N 3.4Å; V259-A262 PolarHBondContact O-N 3.28Å; V259-Y263 HydrophobicContact CG1-CD2 3.87Å; V259-Y263 HydrophobicContact CG1-CE2 3.98Å; V259-Y263 WeakPolarHBondContact O-CD2 3.3Å; V259-Y263 PolarHBondContact O-N 3.15Å
260	D	57.6	Low	53.1	Low	53 Å²	53	72.4 Å²	72.4	28%	0.283	37%	0.369	S	S	.	.	H	α-helix	trans	-64.3	-35.8	-179	-75.5	-37.8	0	0	0	112.2	R226 P256 I257 Y263 L264	R226-D260 IonicContact CZ-OD1 3.23Å; R226-D260 VanDerWaalsContact CZ-OD1 3.23Å; R226-D260 IonicContact NE-OD1 2.88Å; R226-D260 PolarHBondContact NE-OD1 3.43Å; R226-D260 IonicContact NH2-OD1 2.73Å; R226-D260 PolarHBondContact NH2-OD1 2.9Å; P256-D260 WeakPolarHBondContact O-CB 3.43Å; P256-D260 PolarHBondContact O-N 3.25Å; I257-D260 PolarHBondContact O-N 3.21Å; D260-Y263 PolarHBondContact O-N 3.02Å; D260-L264 WeakPolarHBondContact O-CB 3.14Å; D260-L264 WeakPolarHBondContact O-CD1 3.35Å; D260-L264 WeakPolarHBondContact O-CG 3.32Å; D260-L264 PolarHBondContact O-N 3.03Å
261	V	59	Low	53.2	Low	54 Å²	54	74.2 Å²	74.2	33%	0.327	37%	0.374	S	S	.	.	H	α-helix	trans	-63.9	-45.8	172.3	164.6	0	0	0	0	111.1	I257 V259 Y263 L264 E265	I257-V261 HydrophobicContact CG2-CG2 4.15Å; I257-V261 WeakPolarHBondContact O-CB 3.4Å; I257-V261 WeakPolarHBondContact O-CG2 3.43Å; I257-V261 PolarHBondContact O-N 3.16Å; V259-V261 VanDerWaalsContact C-N 3.33Å; V259-V261 PolarHBondContact O-N 3.4Å; V261-Y263 VanDerWaalsContact C-N 3.32Å; V261-Y263 PolarHBondContact O-N 3.46Å; V261-L264 PolarHBondContact O-N 3.13Å; V261-E265 HydrophobicContact CG1-CG 4.47Å; V261-E265 WeakPolarHBondContact CG1-OE1 3.47Å; V261-E265 WeakPolarHBondContact O-CG 3.38Å; V261-E265 PolarHBondContact O-N 3.03Å
262	A	52.8	Low	53.4	Low	4 Å²	4	77.2 Å²	77.2	3%	0.033	41%	0.409	C	S	.	.	H	α-helix	trans	-62.6	-39.4	175.9	0	0	0	0	0	111.8	D258 V259 E265 F266 F278	D258-A262 WeakPolarHBondContact O-CB 3.47Å; D258-A262 PolarHBondContact O-N 3.12Å; D258-A262 VanDerWaalsContact O-N 3.07Å; V259-A262 PolarHBondContact O-N 3.28Å; A262-E265 PolarHBondContact O-N 3.32Å; A262-F266 PolarHBondContact O-N 2.86Å; A262-F266 VanDerWaalsContact O-N 3.15Å; A262-F278 HydrophobicContact CB-CD2 4Å; A262-F278 HydrophobicContact CB-CE2 3.87Å; A262-F278 WeakPolarHBondContact O-CD2 3.46Å; A262-F278 WeakPolarHBondContact O-CE2 3.45Å
263	Y	54.7	Low	53.6	Low	16 Å²	16	78.5 Å²	78.5	6%	0.063	42%	0.424	C	S	.	.	H	α-helix	trans	-69	-32.6	174.6	-89.6	-93.7	0	0	0	112.8	C222 R226 V259 D260 V261 F266 E267	C222-Y263 HydrophobicContact CB-CE1 4.22Å; C222-Y263 WeakPolarHBondContact O-CE1 3.32Å; C222-Y263 PolarHBondContact O-OH 3.23Å; R226-Y263 HydrophobicContact CB-CE1 3.93Å; R226-Y263 HydrophobicContact CB-CE2 4.08Å; R226-Y263 HydrophobicContact CG-CD1 4.47Å; R226-Y263 HydrophobicContact CG-CD2 4.22Å; R226-Y263 HydrophobicContact CG-CE1 4.34Å; R226-Y263 HydrophobicContact CG-CE2 4.11Å; R226-Y263 HydrophobicContact CG-CG 4.39Å; V259-Y263 HydrophobicContact CG1-CD2 3.87Å; V259-Y263 HydrophobicContact CG1-CE2 3.98Å; V259-Y263 WeakPolarHBondContact O-CD2 3.3Å; V259-Y263 PolarHBondContact O-N 3.15Å; D260-Y263 PolarHBondContact O-N 3.02Å; V261-Y263 VanDerWaalsContact C-N 3.32Å; V261-Y263 PolarHBondContact O-N 3.46Å; Y263-F266 WeakPolarHBondContact O-CB 3.5Å; Y263-F266 PolarHBondContact O-N 3.44Å; Y263-E267 WeakPolarHBondContact O-CG 3.19Å; Y263-E267 PolarHBondContact O-N 3.39Å
264	L	60.1	Low	53.6	Low	73 Å²	73	73.1 Å²	73.1	38%	0.382	40%	0.402	S	S	.	.	H	α-helix	trans	-71.1	-38.2	172.6	-75.3	164.2	0	0	0	112.2	D260 V261 F266 E267 Q268	D260-L264 WeakPolarHBondContact O-CB 3.14Å; D260-L264 WeakPolarHBondContact O-CD1 3.35Å; D260-L264 WeakPolarHBondContact O-CG 3.32Å; D260-L264 PolarHBondContact O-N 3.03Å; V261-L264 PolarHBondContact O-N 3.13Å; L264-F266 PolarHBondContact O-N 3.45Å; L264-E267 PolarHBondContact O-N 3.15Å; L264-Q268 WeakPolarHBondContact O-CB 3.37Å; L264-Q268 VanDerWaalsContact O-CG 3.24Å; L264-Q268 WeakPolarHBondContact O-CG 3.47Å; L264-Q268 PolarHBondContact O-N 3.46Å
265	E	58	Low	53.7	Low	77 Å²	77	71.6 Å²	71.6	36%	0.36	39%	0.393	S	S	.	.	H	α-helix	trans	-57.7	-32.8	169.9	-74.9	167.6	-166.2	0	0	111.2	V261 A262 Q269 R281	V261-E265 HydrophobicContact CG1-CG 4.47Å; V261-E265 WeakPolarHBondContact CG1-OE1 3.47Å; V261-E265 WeakPolarHBondContact O-CG 3.38Å; V261-E265 PolarHBondContact O-N 3.03Å; A262-E265 PolarHBondContact O-N 3.32Å; E265-Q269 VanDerWaalsContact O-CG 3.31Å; E265-Q269 WeakPolarHBondContact O-CG 3.47Å; E265-Q269 PolarHBondContact O-NE2 3.26Å; E265-R281 IonicContact OE1-CZ 2.99Å; E265-R281 IonicContact OE1-NH1 2.69Å; E265-R281 PolarHBondContact OE1-NH1 2.92Å; E265-R281 IonicContact OE2-NH1 2.65Å; E265-R281 PolarHBondContact OE2-NH1 3.29Å
266	F	52.8	Low	53.9	Low	55 Å²	55	74.4 Å²	74.4	24%	0.241	41%	0.409	C	S	.	.	H	α-helix	trans	-78.9	-47.6	173.8	174.4	-106.2	0	0	0	113	A262 Y263 L264 Q268 Q269 L274 F278	A262-F266 PolarHBondContact O-N 2.86Å; A262-F266 VanDerWaalsContact O-N 3.15Å; Y263-F266 WeakPolarHBondContact O-CB 3.5Å; Y263-F266 PolarHBondContact O-N 3.44Å; L264-F266 PolarHBondContact O-N 3.45Å; F266-Q268 PolarHBondContact O-N 2.92Å; F266-Q269 PolarHBondContact O-N 3.44Å; F266-L274 HydrophobicContact CD2-CD2 4.21Å; F266-L274 HydrophobicContact CD2-CG 4.38Å; F266-L274 HydrophobicContact CE2-CD2 3.91Å; F266-L274 HydrophobicContact CE2-CG 3.85Å; F266-L274 HydrophobicContact CZ-CD2 4.42Å; F266-F278 HydrophobicContact CB-CE2 4.21Å; F266-F278 HydrophobicContact CB-CZ 4.45Å
267	E	55.2	Low	53.8	Low	95 Å²	95	76.4 Å²	76.4	44%	0.444	43%	0.425	S	S	.	.	H	α-helix	trans	-60.1	-27.7	177.5	-76.1	171.7	-160.8	0	0	112.9	F223 R226 Y263 L264	F223-E267 WeakPolarHBondContact CE1-OE1 3.36Å; R226-E267 IonicContact NH1-OE1 2.83Å; R226-E267 PolarHBondContact NH1-OE1 3.3Å; Y263-E267 WeakPolarHBondContact O-CG 3.19Å; Y263-E267 PolarHBondContact O-N 3.39Å; L264-E267 PolarHBondContact O-N 3.15Å
268	Q	54.8	Low	53.6	Low	153 Å²	153	72.3 Å²	72.3	72%	0.715	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-11.9	176.9	-70.2	174	21.2	0	0	114.1	L264 F266	L264-Q268 WeakPolarHBondContact O-CB 3.37Å; L264-Q268 VanDerWaalsContact O-CG 3.24Å; L264-Q268 WeakPolarHBondContact O-CG 3.47Å; L264-Q268 PolarHBondContact O-N 3.46Å; F266-Q268 PolarHBondContact O-N 2.92Å
269	Q	53.2	Low	53.5	Low	92 Å²	92	70.1 Å²	70.1	43%	0.43	39%	0.391	S	S	.	.			trans	-97.8	107.3	-178.8	-73.6	177.6	27.6	0	0	111	E265 F266 E271	E265-Q269 VanDerWaalsContact O-CG 3.31Å; E265-Q269 WeakPolarHBondContact O-CG 3.47Å; E265-Q269 PolarHBondContact O-NE2 3.26Å; F266-Q269 PolarHBondContact O-N 3.44Å; Q269-E271 PolarHBondContact O-N 2.99Å
270	L	49.2	Very low	53.5	Low	185 Å²	185	74.5 Å²	74.5	97%	0.969	41%	0.408	S	S	*	.			trans	-65.6	0.7	176.9	-84	159	0	0	0	114.7
271	E	49	Very low	53.3	Low	145 Å²	145	75.8 Å²	75.8	68%	0.678	41%	0.409	S	S	*	.	S	Bend	trans	-91.7	123	-179	-61.6	-168.5	158.9	0	0	110.7	Q269 S273	Q269-E271 PolarHBondContact O-N 2.99Å; E271-S273 PolarHBondContact O-N 2.97Å
272	G	48.8	Very low	53	Low	97 Å²	97	74.1 Å²	74.1	100%	1	40%	0.398	S	S	*	.	S	Bend	trans	-71	28.2	-174.4	0	0	0	0	0	116.3
273	S	50.4	Low	53.1	Low	81 Å²	81	75.6 Å²	75.6	57%	0.566	40%	0.404	S	S	*	.	S	Bend	trans	-138.8	123.5	178	50.4	0	0	0	0	111.1	E271	E271-S273 PolarHBondContact O-N 2.97Å
274	L	49.4	Very low	53.3	Low	36 Å²	36	80.1 Å²	80.1	19%	0.188	43%	0.429	C	S	.	.			trans	-61.6	130.9	-177.7	-60.2	105.8	0	0	0	111.1	F217 F266 L276 F278 L279	F217-L274 HydrophobicContact CD1-CD1 3.6Å; F217-L274 HydrophobicContact CD1-CD2 4.02Å; F217-L274 HydrophobicContact CD1-CG 4.41Å; F217-L274 HydrophobicContact CD2-CD1 4.07Å; F217-L274 HydrophobicContact CE1-CD1 3.54Å; F217-L274 HydrophobicContact CE1-CD2 3.49Å; F217-L274 VanDerWaalsContact CE1-CD2 3.49Å; F217-L274 HydrophobicContact CE1-CG 4.17Å; F217-L274 HydrophobicContact CE2-CD1 4Å; F217-L274 HydrophobicContact CG-CD1 3.87Å; F217-L274 HydrophobicContact CZ-CD1 3.74Å; F217-L274 HydrophobicContact CZ-CD2 4.11Å; F266-L274 HydrophobicContact CD2-CD2 4.21Å; F266-L274 HydrophobicContact CD2-CG 4.38Å; F266-L274 HydrophobicContact CE2-CD2 3.91Å; F266-L274 HydrophobicContact CE2-CG 3.85Å; F266-L274 HydrophobicContact CZ-CD2 4.42Å; L274-L276 PolarHBondContact O-N 3.38Å; L274-F278 HydrophobicContact CB-CD1 4.37Å; L274-F278 HydrophobicContact CD2-CD1 3.94Å; L274-F278 HydrophobicContact CD2-CE1 3.51Å; L274-F278 HydrophobicContact CD2-CZ 4.48Å; L274-L279 HydrophobicContact CB-CD1 4.24Å; L274-L279 HydrophobicContact CB-CD2 4.49Å; L274-L279 HydrophobicContact CB-CG 4.23Å
275	P	54.4	Low	53.1	Low	26 Å²	26	78.5 Å²	78.5	17%	0.169	42%	0.422	C	S	.	.			trans	-58.3	134.4	177.1	-26.8	35.2	0	0	0	111.8	S277 F278 L279	P275-S277 VanDerWaalsContact CB-OG 3.3Å; P275-S277 WeakPolarHBondContact CB-OG 3.27Å; P275-S277 PolarHBondContact O-N 3.27Å; P275-S277 VanDerWaalsContact O-N 3.15Å; P275-F278 HydrophobicContact CB-CB 4Å; P275-F278 HydrophobicContact CG-CB 4.35Å; P275-F278 WeakPolarHBondContact O-CA 3.47Å; P275-F278 WeakPolarHBondContact O-CB 3.49Å; P275-F278 PolarHBondContact O-N 3.45Å; P275-L279 PolarHBondContact O-N 3.46Å
276	L	53.3	Low	52.9	Low	91 Å²	91	75.3 Å²	75.3	48%	0.476	41%	0.407	S	S	.	.	H	α-helix	trans	-66	-17.3	176.3	-164.1	130.5	0	0	0	112.1	L202 L274 K280	L202-L276 HydrophobicContact CD2-CD1 4.23Å; L202-L276 HydrophobicContact CD2-CD2 4.03Å; L202-L276 HydrophobicContact CD2-CG 3.85Å; L274-L276 PolarHBondContact O-N 3.38Å; L276-K280 HydrophobicContact CD2-CD 4.13Å; L276-K280 VanDerWaalsContact CD2-CE 3.44Å; L276-K280 WeakPolarHBondContact O-CB 3.47Å; L276-K280 WeakPolarHBondContact O-CD 3.21Å; L276-K280 VanDerWaalsContact O-CG 3.22Å; L276-K280 WeakPolarHBondContact O-CG 3.32Å; L276-K280 PolarHBondContact O-N 3Å
277	S	52.7	Low	53.2	Low	87 Å²	87	76 Å²	76	61%	0.608	41%	0.409	S	S	*	.	H	α-helix	trans	-69.7	-47.4	165.4	46.5	0	0	0	0	112.7	P275 K280 R281	P275-S277 VanDerWaalsContact CB-OG 3.3Å; P275-S277 WeakPolarHBondContact CB-OG 3.27Å; P275-S277 PolarHBondContact O-N 3.27Å; P275-S277 VanDerWaalsContact O-N 3.15Å; S277-K280 WeakPolarHBondContact O-CB 3.41Å; S277-K280 PolarHBondContact O-N 3.28Å; S277-R281 PolarHBondContact O-N 3.42Å
278	F	51.9	Low	53.4	Low	14 Å²	14	73.9 Å²	73.9	6%	0.061	40%	0.402	C	S	.	.	H	α-helix	trans	-60.5	-46.7	176	168.1	-92.2	0	0	0	111.3	A262 F266 L274 P275 K280 R281 I282	A262-F278 HydrophobicContact CB-CD2 4Å; A262-F278 HydrophobicContact CB-CE2 3.87Å; A262-F278 WeakPolarHBondContact O-CD2 3.46Å; A262-F278 WeakPolarHBondContact O-CE2 3.45Å; F266-F278 HydrophobicContact CB-CE2 4.21Å; F266-F278 HydrophobicContact CB-CZ 4.45Å; L274-F278 HydrophobicContact CB-CD1 4.37Å; L274-F278 HydrophobicContact CD2-CD1 3.94Å; L274-F278 HydrophobicContact CD2-CE1 3.51Å; L274-F278 HydrophobicContact CD2-CZ 4.48Å; P275-F278 HydrophobicContact CB-CB 4Å; P275-F278 HydrophobicContact CG-CB 4.35Å; P275-F278 WeakPolarHBondContact O-CA 3.47Å; P275-F278 WeakPolarHBondContact O-CB 3.49Å; P275-F278 PolarHBondContact O-N 3.45Å; F278-K280 VanDerWaalsContact C-N 3.32Å; F278-K280 PolarHBondContact O-N 2.88Å; F278-R281 PolarHBondContact O-N 3.27Å; F278-R281 VanDerWaalsContact O-N 3.14Å; F278-I282 HydrophobicContact CD1-CD1 4.32Å; F278-I282 HydrophobicContact CD2-CD1 4.48Å; F278-I282 HydrophobicContact CE1-CD1 3.58Å; F278-I282 HydrophobicContact CE1-CG1 4.45Å; F278-I282 HydrophobicContact CE2-CD1 3.75Å; F278-I282 HydrophobicContact CE2-CG1 4.34Å; F278-I282 HydrophobicContact CZ-CD1 3.26Å; F278-I282 HydrophobicContact CZ-CG1 4.24Å; F278-I282 PolarHBondContact O-N 3.41Å
279	L	52.1	Low	53.4	Low	13 Å²	13	67.2 Å²	67.2	7%	0.068	37%	0.372	C	S	.	.	H	α-helix	trans	-62.7	-35.9	176	-68.8	171.9	0	0	0	112.6	C201 L274 P275 F283	C201-L279 HydrophobicContact CB-CD1 3.79Å; L274-L279 HydrophobicContact CB-CD1 4.24Å; L274-L279 HydrophobicContact CB-CD2 4.49Å; L274-L279 HydrophobicContact CB-CG 4.23Å; P275-L279 PolarHBondContact O-N 3.46Å; L279-F283 VanDerWaalsContact O-CB 3.26Å; L279-F283 WeakPolarHBondContact O-CB 3.36Å; L279-F283 PolarHBondContact O-N 3.25Å
280	K	55.1	Low	53.6	Low	117 Å²	117	63.9 Å²	63.9	51%	0.509	36%	0.355	S	S	.	.	H	α-helix	trans	-66.5	-42.8	171.1	-79.4	171.8	178.5	171.9	0	112.3	L202 L276 S277 F278 F283 L284	L202-K280 HydrophobicContact CD1-CG 4.42Å; L202-K280 HydrophobicContact CD2-CD 4.44Å; L202-K280 HydrophobicContact CD2-CG 3.73Å; L276-K280 HydrophobicContact CD2-CD 4.13Å; L276-K280 VanDerWaalsContact CD2-CE 3.44Å; L276-K280 WeakPolarHBondContact O-CB 3.47Å; L276-K280 WeakPolarHBondContact O-CD 3.21Å; L276-K280 VanDerWaalsContact O-CG 3.22Å; L276-K280 WeakPolarHBondContact O-CG 3.32Å; L276-K280 PolarHBondContact O-N 3Å; S277-K280 WeakPolarHBondContact O-CB 3.41Å; S277-K280 PolarHBondContact O-N 3.28Å; F278-K280 VanDerWaalsContact C-N 3.32Å; F278-K280 PolarHBondContact O-N 2.88Å; K280-F283 PolarHBondContact O-N 3.01Å; K280-L284 WeakPolarHBondContact O-CB 3.34Å; K280-L284 PolarHBondContact O-N 2.75Å
281	R	52.7	Low	54.1	Low	80 Å²	80	55 Å²	55	30%	0.302	31%	0.309	S	S	.	.	H	α-helix	trans	-62.7	-48.7	178.1	-169.3	176.7	-179.3	177.1	0.3	110.4	D258 E265 S277 F278 L284 V285	D258-R281 IonicContact OD1-CZ 3.9Å; D258-R281 IonicContact OD1-NE 2.74Å; D258-R281 IonicContact OD1-NH2 3.68Å; D258-R281 PolarHBondContact OD1-NH2 2.85Å; E265-R281 IonicContact OE1-CZ 2.99Å; E265-R281 IonicContact OE1-NH1 2.69Å; E265-R281 PolarHBondContact OE1-NH1 2.92Å; E265-R281 IonicContact OE2-NH1 2.65Å; E265-R281 PolarHBondContact OE2-NH1 3.29Å; S277-R281 PolarHBondContact O-N 3.42Å; F278-R281 PolarHBondContact O-N 3.27Å; F278-R281 VanDerWaalsContact O-N 3.14Å; R281-L284 PolarHBondContact O-N 3.11Å; R281-V285 WeakPolarHBondContact O-CB 3.42Å; R281-V285 VanDerWaalsContact O-CG2 3.23Å; R281-V285 WeakPolarHBondContact O-CG2 3.37Å; R281-V285 PolarHBondContact O-N 3.4Å
282	I	53.1	Low	54.4	Low	20 Å²	20	52 Å²	52	10%	0.103	29%	0.291	C	S	.	.	H	α-helix	trans	-60.1	-49.4	174.4	-73.9	-169.1	0	0	0	111.5	Q194 F278 L284 V285 T286	Q194-I282 HydrophobicContact CG-CG2 4.21Å; F278-I282 HydrophobicContact CD1-CD1 4.32Å; F278-I282 HydrophobicContact CD2-CD1 4.48Å; F278-I282 HydrophobicContact CE1-CD1 3.58Å; F278-I282 HydrophobicContact CE1-CG1 4.45Å; F278-I282 HydrophobicContact CE2-CD1 3.75Å; F278-I282 HydrophobicContact CE2-CG1 4.34Å; F278-I282 HydrophobicContact CZ-CD1 3.26Å; F278-I282 HydrophobicContact CZ-CG1 4.24Å; F278-I282 PolarHBondContact O-N 3.41Å; I282-L284 VanDerWaalsContact C-N 3.28Å; I282-L284 PolarHBondContact O-N 3.01Å; I282-V285 PolarHBondContact O-N 2.93Å; I282-T286 HydrophobicContact CG2-CG2 4.06Å; I282-T286 WeakPolarHBondContact O-CG2 3.37Å; I282-T286 PolarHBondContact O-N 3.23Å; I282-T286 PolarHBondContact O-OG1 3.02Å; I282-T286 VanDerWaalsContact O-OG1 3.1Å
283	F	54.2	Low	54.7	Low	35 Å²	35	49.5 Å²	49.5	15%	0.154	25%	0.252	C	S	.	.	H	α-helix	trans	-59.2	-37.5	179.2	-177.9	-100	0	0	0	113	E195 C198 F199 L202 L279 K280 T286 R287	E195-F283 HydrophobicContact CB-CD2 4.29Å; E195-F283 HydrophobicContact CB-CE2 3.98Å; E195-F283 HydrophobicContact CG-CD2 4.17Å; E195-F283 HydrophobicContact CG-CE2 3.98Å; C198-F283 HydrophobicContact CB-CB 3.96Å; C198-F283 HydrophobicContact CB-CD2 3.92Å; C198-F283 HydrophobicContact CB-CG 4.37Å; F199-F283 HydrophobicContact CB-CE2 4.2Å; F199-F283 HydrophobicContact CD2-CZ 4.4Å; L202-F283 HydrophobicContact CD1-CB 4.48Å; L202-F283 HydrophobicContact CD1-CG 4.45Å; L279-F283 VanDerWaalsContact O-CB 3.26Å; L279-F283 WeakPolarHBondContact O-CB 3.36Å; L279-F283 PolarHBondContact O-N 3.25Å; K280-F283 PolarHBondContact O-N 3.01Å; F283-T286 PolarHBondContact O-OG1 3.26Å; F283-R287 VanDerWaalsContact O-CB 3.23Å; F283-R287 WeakPolarHBondContact O-CB 3.32Å; F283-R287 PolarHBondContact O-N 3.26Å; F283-R287 VanDerWaalsContact O-N 3.09Å
284	L	58.1	Low	55	Low	111 Å²	111	46.4 Å²	46.4	58%	0.581	23%	0.229	S	C	*	.	H	α-helix	trans	-68.1	-48	175	-174.6	65.3	0	0	0	111.3	K280 R281 I282 T286 R287 V288	K280-L284 WeakPolarHBondContact O-CB 3.34Å; K280-L284 PolarHBondContact O-N 2.75Å; R281-L284 PolarHBondContact O-N 3.11Å; I282-L284 VanDerWaalsContact C-N 3.28Å; I282-L284 PolarHBondContact O-N 3.01Å; L284-T286 PolarHBondContact O-N 3.42Å; L284-R287 PolarHBondContact O-N 2.88Å; L284-V288 HydrophobicContact CD1-CG2 4.5Å; L284-V288 WeakPolarHBondContact O-CB 3.15Å; L284-V288 VanDerWaalsContact O-CG2 3.31Å; L284-V288 WeakPolarHBondContact O-CG2 3.42Å; L284-V288 PolarHBondContact O-N 3.46Å
285	V	55.6	Low	55.3	Low	38 Å²	38	47.9 Å²	47.9	23%	0.23	23%	0.232	C	C	.	.	H	α-helix	trans	-60.8	-44.7	179.2	169.4	0	0	0	0	111.1	F255 R281 I282 V288 T289	F255-V285 HydrophobicContact CD2-CG1 4.32Å; F255-V285 HydrophobicContact CE2-CG1 3.54Å; F255-V285 HydrophobicContact CZ-CG1 4.22Å; R281-V285 WeakPolarHBondContact O-CB 3.42Å; R281-V285 VanDerWaalsContact O-CG2 3.23Å; R281-V285 WeakPolarHBondContact O-CG2 3.37Å; R281-V285 PolarHBondContact O-N 3.4Å; I282-V285 PolarHBondContact O-N 2.93Å; V285-V288 PolarHBondContact O-N 3.44Å; V285-T289 VanDerWaalsContact O-CB 3.27Å; V285-T289 WeakPolarHBondContact O-CB 3.2Å; V285-T289 PolarHBondContact O-N 3.4Å; V285-T289 PolarHBondContact O-OG1 3.28Å
286	T	54.9	Low	55.3	Low	10 Å²	10	48.2 Å²	48.2	6%	0.061	24%	0.237	C	C	.	.	H	α-helix	trans	-67.9	-42	178.6	59.2	0	0	0	0	111.9	Q194 I282 F283 L284 V288 T289 R290	Q194-T286 HydrophobicContact CG-CG2 4.32Å; Q194-T286 VanDerWaalsContact OE1-CG2 3.25Å; I282-T286 HydrophobicContact CG2-CG2 4.06Å; I282-T286 WeakPolarHBondContact O-CG2 3.37Å; I282-T286 PolarHBondContact O-N 3.23Å; I282-T286 PolarHBondContact O-OG1 3.02Å; I282-T286 VanDerWaalsContact O-OG1 3.1Å; F283-T286 PolarHBondContact O-OG1 3.26Å; L284-T286 PolarHBondContact O-N 3.42Å; T286-V288 PolarHBondContact O-N 3.37Å; T286-T289 WeakPolarHBondContact O-CB 3.31Å; T286-T289 PolarHBondContact O-N 3.09Å; T286-R290 WeakPolarHBondContact O-CB 3.33Å; T286-R290 PolarHBondContact O-N 2.96Å
287	R	58.9	Low	55.2	Low	71 Å²	71	45.7 Å²	45.7	27%	0.268	22%	0.222	S	C	.	.	H	α-helix	trans	-62.7	-42.6	175.8	-170	177.8	-176.1	-151.5	-0.9	112.2	L89 L90 L91 F283 L284 R290 S291	L89-R287 PolarHBondContact O-NE 2.87Å; L89-R287 PolarHBondContact O-NH2 3.44Å; L90-R287 PolarHBondContact O-NH2 2.86Å; L91-R287 HydrophobicContact CD2-CG 4.41Å; L91-R287 VanDerWaalsContact CD2-CZ 3.42Å; L91-R287 HydrophobicContact CG-CG 4.29Å; F283-R287 VanDerWaalsContact O-CB 3.23Å; F283-R287 WeakPolarHBondContact O-CB 3.32Å; F283-R287 PolarHBondContact O-N 3.26Å; F283-R287 VanDerWaalsContact O-N 3.09Å; L284-R287 PolarHBondContact O-N 2.88Å; R287-R290 PolarHBondContact O-N 3.49Å; R287-S291 WeakPolarHBondContact O-CB 3.37Å; R287-S291 PolarHBondContact O-N 3.02Å
288	V	59.1	Low	55.2	Low	50 Å²	50	41.7 Å²	41.7	30%	0.303	19%	0.194	S	C	.	.	H	α-helix	trans	-65.2	-42	174.2	169.9	0	0	0	0	111.1	L284 V285 T286 S291 R292	L284-V288 HydrophobicContact CD1-CG2 4.5Å; L284-V288 WeakPolarHBondContact O-CB 3.15Å; L284-V288 VanDerWaalsContact O-CG2 3.31Å; L284-V288 WeakPolarHBondContact O-CG2 3.42Å; L284-V288 PolarHBondContact O-N 3.46Å; V285-V288 PolarHBondContact O-N 3.44Å; T286-V288 PolarHBondContact O-N 3.37Å; V288-S291 WeakPolarHBondContact O-CB 3.32Å; V288-S291 PolarHBondContact O-N 2.91Å; V288-R292 WeakPolarHBondContact O-CG 3.5Å; V288-R292 PolarHBondContact O-N 2.87Å
289	T	54.7	Low	55.3	Low	13 Å²	13	45.6 Å²	45.6	8%	0.08	21%	0.211	C	C	.	.	H	α-helix	trans	-59.9	-47.1	176	-60.5	0	0	0	0	111.3	I191 F255 V285 T286 S291 R292 Y293	I191-T289 HydrophobicContact CD1-CG2 3.93Å; F255-T289 WeakPolarHBondContact CE2-OG1 3.5Å; F255-T289 HydrophobicContact CZ-CG2 4.3Å; V285-T289 VanDerWaalsContact O-CB 3.27Å; V285-T289 WeakPolarHBondContact O-CB 3.2Å; V285-T289 PolarHBondContact O-N 3.4Å; V285-T289 PolarHBondContact O-OG1 3.28Å; T286-T289 WeakPolarHBondContact O-CB 3.31Å; T286-T289 PolarHBondContact O-N 3.09Å; T289-S291 VanDerWaalsContact C-N 3.34Å; T289-S291 PolarHBondContact O-N 2.97Å; T289-R292 PolarHBondContact O-N 3.21Å; T289-Y293 HydrophobicContact CG2-CD2 3.67Å; T289-Y293 HydrophobicContact CG2-CE2 3.42Å; T289-Y293 VanDerWaalsContact CG2-CE2 3.42Å; T289-Y293 VanDerWaalsContact O-CD2 3.27Å; T289-Y293 WeakPolarHBondContact O-CD2 3.34Å; T289-Y293 PolarHBondContact O-N 3.29Å
290	R	58.5	Low	55.3	Low	21 Å²	21	47.6 Å²	47.6	8%	0.079	22%	0.22	C	C	.	.	H	α-helix	trans	-59.4	-44.4	175.7	-160.3	-167.7	61.9	-153.1	-12.5	111.8	L89 L188 I191 E195 T286 R287 Y293 L294	L89-R290 VanDerWaalsContact C-NH2 3.32Å; L89-R290 PolarHBondContact O-NH2 2.88Å; L188-R290 HydrophobicContact CD2-CG 3.54Å; I191-R290 HydrophobicContact CG2-CB 3.85Å; I191-R290 HydrophobicContact CG2-CG 4.11Å; E195-R290 WeakPolarHBondContact OE1-CD 3.36Å; E195-R290 IonicContact OE1-CZ 3.74Å; E195-R290 VanDerWaalsContact OE1-CZ 3.26Å; E195-R290 IonicContact OE1-NE 3.18Å; E195-R290 IonicContact OE1-NH1 3.88Å; E195-R290 PolarHBondContact OE1-NH1 2.89Å; E195-R290 IonicContact OE2-CZ 2.88Å; E195-R290 IonicContact OE2-NH1 3.63Å; E195-R290 PolarHBondContact OE2-NH1 3.1Å; T286-R290 WeakPolarHBondContact O-CB 3.33Å; T286-R290 PolarHBondContact O-N 2.96Å; R287-R290 PolarHBondContact O-N 3.49Å; R290-Y293 PolarHBondContact O-N 2.71Å; R290-L294 WeakPolarHBondContact O-CB 3.48Å; R290-L294 PolarHBondContact O-N 3.26Å
291	S	58.8	Low	55.1	Low	0 Å²	0	43 Å²	43	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.3	-45	177.3	173.1	0	0	0	0	112.1	D94 R287 V288 T289 L294 R295	D94-S291 VanDerWaalsContact OD1-CA 3.24Å; D94-S291 WeakPolarHBondContact OD1-CA 3.29Å; D94-S291 WeakPolarHBondContact OD1-CB 3.19Å; D94-S291 PolarHBondContact OD1-OG 2.87Å; R287-S291 WeakPolarHBondContact O-CB 3.37Å; R287-S291 PolarHBondContact O-N 3.02Å; V288-S291 WeakPolarHBondContact O-CB 3.32Å; V288-S291 PolarHBondContact O-N 2.91Å; T289-S291 VanDerWaalsContact C-N 3.34Å; T289-S291 PolarHBondContact O-N 2.97Å; S291-L294 PolarHBondContact O-N 3.37Å; S291-R295 WeakPolarHBondContact O-CB 3.22Å; S291-R295 WeakPolarHBondContact O-CG 3.36Å; S291-R295 PolarHBondContact O-N 3.22Å; S291-R295 PolarHBondContact OG-NE 3.14Å; S291-R295 VanDerWaalsContact OG-NE 3.07Å; S291-R295 PolarHBondContact OG-NH2 3.41Å
292	R	56.2	Low	54.9	Low	80 Å²	80	40.9 Å²	40.9	30%	0.302	20%	0.196	S	C	.	.	H	α-helix	trans	-62.6	-45.6	176.1	-73.4	179.6	174	-154.6	-1.6	111.7	A251 V288 T289 A296	A251-R292 VanDerWaalsContact CB-NH1 3.28Å; V288-R292 WeakPolarHBondContact O-CG 3.5Å; V288-R292 PolarHBondContact O-N 2.87Å; T289-R292 PolarHBondContact O-N 3.21Å; R292-A296 VanDerWaalsContact O-CB 3.26Å; R292-A296 WeakPolarHBondContact O-CB 3.49Å; R292-A296 PolarHBondContact O-N 3.11Å
293	Y	54.5	Low	54.9	Low	45 Å²	45	44.7 Å²	44.7	18%	0.176	21%	0.214	C	C	.	.	H	α-helix	trans	-63.2	-42.5	174.6	-78.7	-54.5	0	0	0	112.7	M187 I191 L236 T289 R290 A296 F297	M187-Y293 HydrophobicContact CE-CE2 4.1Å; M187-Y293 HydrophobicContact CG-CD2 4.47Å; M187-Y293 HydrophobicContact CG-CE2 4.09Å; I191-Y293 HydrophobicContact CD1-CD2 4.37Å; L236-Y293 HydrophobicContact CD1-CE1 3.8Å; L236-Y293 WeakPolarHBondContact CD1-OH 3.49Å; T289-Y293 HydrophobicContact CG2-CD2 3.67Å; T289-Y293 HydrophobicContact CG2-CE2 3.42Å; T289-Y293 VanDerWaalsContact CG2-CE2 3.42Å; T289-Y293 VanDerWaalsContact O-CD2 3.27Å; T289-Y293 WeakPolarHBondContact O-CD2 3.34Å; T289-Y293 PolarHBondContact O-N 3.29Å; R290-Y293 PolarHBondContact O-N 2.71Å; Y293-A296 PolarHBondContact O-N 2.93Å; Y293-F297 WeakPolarHBondContact O-CB 3.36Å; Y293-F297 PolarHBondContact O-N 3.44Å
294	L	57.1	Low	54.7	Low	16 Å²	16	46.3 Å²	46.3	8%	0.084	22%	0.219	C	C	.	.	H	α-helix	trans	-65.8	-44.1	179.4	-171.8	152	0	0	0	111	V84 L90 D94 L98 R290 S291 F297 V298	V84-L294 HydrophobicContact CG1-CD1 4.42Å; L90-L294 HydrophobicContact CD2-CD1 3.95Å; D94-L294 HydrophobicContact CB-CD2 4.26Å; L98-L294 HydrophobicContact CD1-CD2 4.05Å; L98-L294 HydrophobicContact CD2-CD2 4.24Å; L98-L294 HydrophobicContact CG-CD2 4.19Å; R290-L294 WeakPolarHBondContact O-CB 3.48Å; R290-L294 PolarHBondContact O-N 3.26Å; S291-L294 PolarHBondContact O-N 3.37Å; L294-F297 PolarHBondContact O-N 2.82Å; L294-V298 HydrophobicContact CD2-CG2 4.06Å; L294-V298 WeakPolarHBondContact O-CB 3.44Å; L294-V298 WeakPolarHBondContact O-CG2 3.31Å; L294-V298 PolarHBondContact O-N 3.33Å
295	R	56.4	Low	54.1	Low	67 Å²	67	41.6 Å²	41.6	25%	0.253	20%	0.196	S	C	.	.	H	α-helix	trans	-62.7	-47.6	173.5	-74.9	-174.1	-89.6	177.8	-17.6	111.8	E93 D94 C97 S291 F297 V298 F299	E93-R295 IonicContact OE1-NH2 2.74Å; D94-R295 IonicContact OD1-NE 3.84Å; C97-R295 HydrophobicContact CB-CG 4.1Å; S291-R295 WeakPolarHBondContact O-CB 3.22Å; S291-R295 WeakPolarHBondContact O-CG 3.36Å; S291-R295 PolarHBondContact O-N 3.22Å; S291-R295 PolarHBondContact OG-NE 3.14Å; S291-R295 VanDerWaalsContact OG-NE 3.07Å; S291-R295 PolarHBondContact OG-NH2 3.41Å; R295-F297 VanDerWaalsContact C-N 3.34Å; R295-F297 PolarHBondContact O-N 3.41Å; R295-V298 PolarHBondContact O-N 3Å; R295-F299 HydrophobicContact CB-CD2 4.43Å; R295-F299 HydrophobicContact CB-CE2 4.47Å; R295-F299 WeakPolarHBondContact O-CD2 3.35Å; R295-F299 PolarHBondContact O-N 2.97Å
296	A	53	Low	53.8	Low	33 Å²	33	42.4 Å²	42.4	27%	0.273	20%	0.203	S	C	.	.	H	α-helix	trans	-60.2	-41.7	177.5	0	0	0	0	0	112.4	W243 R292 Y293 F299 H300	W243-A296 HydrophobicContact CZ2-CB 4.15Å; R292-A296 VanDerWaalsContact O-CB 3.26Å; R292-A296 WeakPolarHBondContact O-CB 3.49Å; R292-A296 PolarHBondContact O-N 3.11Å; Y293-A296 PolarHBondContact O-N 2.93Å; A296-F299 PolarHBondContact O-N 2.58Å; A296-H300 VanDerWaalsContact O-CB 3.23Å; A296-H300 WeakPolarHBondContact O-CB 3.34Å; A296-H300 PolarHBondContact O-N 3.49Å
297	F	52.6	Low	53.6	Low	38 Å²	38	46.2 Å²	46.2	17%	0.167	22%	0.222	C	C	.	.	H	α-helix	trans	-60.7	-51.1	172.5	-174.6	-85.5	0	0	0	110.9	V184 Y293 L294 R295 F299 H300 Y301	V184-F297 HydrophobicContact CG1-CD2 4.24Å; Y293-F297 WeakPolarHBondContact O-CB 3.36Å; Y293-F297 PolarHBondContact O-N 3.44Å; L294-F297 PolarHBondContact O-N 2.82Å; R295-F297 VanDerWaalsContact C-N 3.34Å; R295-F297 PolarHBondContact O-N 3.41Å; F297-F299 PolarHBondContact O-N 2.88Å; F297-H300 PolarHBondContact O-N 3.31Å; F297-Y301 HydrophobicContact CD1-CD2 4.05Å; F297-Y301 HydrophobicContact CD1-CE2 4.08Å; F297-Y301 HydrophobicContact CD2-CD2 4.32Å; F297-Y301 AromaticContact CD2-CE2 3.74Å; F297-Y301 HydrophobicContact CD2-CE2 3.74Å; F297-Y301 HydrophobicContact CE1-CD2 4.03Å; F297-Y301 AromaticContact CE1-CE2 3.77Å; F297-Y301 HydrophobicContact CE1-CE2 3.77Å; F297-Y301 HydrophobicContact CE1-CG 4.49Å; F297-Y301 HydrophobicContact CE2-CD2 4.31Å; F297-Y301 AromaticContact CE2-CE2 3.42Å; F297-Y301 HydrophobicContact CE2-CE2 3.42Å; F297-Y301 VanDerWaalsContact CE2-CE2 3.42Å; F297-Y301 AromaticContact CE2-CZ 3.79Å; F297-Y301 HydrophobicContact CG-CD2 4.2Å; F297-Y301 HydrophobicContact CG-CE2 4.07Å; F297-Y301 HydrophobicContact CZ-CD2 4.17Å; F297-Y301 HydrophobicContact CZ-CE1 4.28Å; F297-Y301 AromaticContact CZ-CE2 3.43Å; F297-Y301 HydrophobicContact CZ-CE2 3.43Å; F297-Y301 VanDerWaalsContact CZ-CE2 3.43Å; F297-Y301 AromaticContact CZ-CZ 3.49Å; F297-Y301 VanDerWaalsContact CZ-CZ 3.49Å; F297-Y301 WeakPolarHBondContact O-CD2 3.43Å; F297-Y301 PolarHBondContact O-N 3.12Å
298	V	51.9	Low	53	Low	4 Å²	4	42.9 Å²	42.9	2%	0.024	21%	0.21	C	C	.	.	H	α-helix	trans	-59.3	-43	178.9	169.6	0	0	0	0	111.7	L98 V101 L294 R295 C302	L98-V298 HydrophobicContact CD2-CG2 3.72Å; V101-V298 HydrophobicContact CB-CG1 4.29Å; V101-V298 HydrophobicContact CG2-CG1 3.56Å; L294-V298 HydrophobicContact CD2-CG2 4.06Å; L294-V298 WeakPolarHBondContact O-CB 3.44Å; L294-V298 WeakPolarHBondContact O-CG2 3.31Å; L294-V298 PolarHBondContact O-N 3.33Å; R295-V298 PolarHBondContact O-N 3Å; V298-C302 WeakPolarHBondContact O-CB 3.46Å; V298-C302 PolarHBondContact O-N 2.78Å; V298-C302 PolarHBondContact O-SG 3.13Å
299	F	53.2	Low	52.5	Low	96 Å²	96	43 Å²	43	42%	0.421	21%	0.207	S	C	.	.	H	α-helix	trans	-66.8	-49.9	175.7	-80	-64.7	0	0	0	113.1	M100 R295 A296 F297 Y301 C302 E303	M100-F299 HydrophobicContact CE-CE1 3.93Å; M100-F299 HydrophobicContact CE-CZ 4.24Å; R295-F299 HydrophobicContact CB-CD2 4.43Å; R295-F299 HydrophobicContact CB-CE2 4.47Å; R295-F299 WeakPolarHBondContact O-CD2 3.35Å; R295-F299 PolarHBondContact O-N 2.97Å; A296-F299 PolarHBondContact O-N 2.58Å; F297-F299 PolarHBondContact O-N 2.88Å; F299-Y301 VanDerWaalsContact C-N 3.27Å; F299-Y301 PolarHBondContact O-N 3.41Å; F299-C302 CarbonylContact O-C 3.54Å; F299-C302 WeakPolarHBondContact O-CA 3.47Å; F299-C302 PolarHBondContact O-N 3.13Å; F299-E303 PolarHBondContact O-N 3.38Å
300	H	53.3	Low	52.3	Low	54 Å²	54	49.3 Å²	49.3	25%	0.25	23%	0.234	C	C	.	.	H	α-helix	trans	-56.6	-41.8	179.3	178.7	80.8	0	0	0	112	A296 F297 R304	A296-H300 VanDerWaalsContact O-CB 3.23Å; A296-H300 WeakPolarHBondContact O-CB 3.34Å; A296-H300 PolarHBondContact O-N 3.49Å; F297-H300 PolarHBondContact O-N 3.31Å; H300-R304 PolarHBondContact NE2-NE 3.34Å; H300-R304 PolarHBondContact NE2-NH2 2.89Å; H300-R304 PolarHBondContact O-N 3.43Å
301	Y	50.7	Low	51.9	Low	22 Å²	22	52 Å²	52	9%	0.086	25%	0.248	C	C	.	.	H	α-helix	trans	-66.3	-46.7	172	-80.9	-111.9	0	0	0	110.2	F70 R74 R77 D181 F297 F299 E303 R304 S305	F70-Y301 HydrophobicContact CE2-CE1 4.32Å; F70-Y301 HydrophobicContact CZ-CD1 4.26Å; F70-Y301 HydrophobicContact CZ-CE1 4.36Å; R74-Y301 VanDerWaalsContact CZ-O 3.23Å; R74-Y301 PolarHBondContact NH1-O 3.17Å; R74-Y301 PolarHBondContact NH2-O 2.89Å; R77-Y301 PolarHBondContact NH1-OH 3.42Å; D181-Y301 PolarHBondContact OD1-OH 3.44Å; D181-Y301 VanDerWaalsContact OD1-OH 3.14Å; F297-Y301 HydrophobicContact CD1-CD2 4.05Å; F297-Y301 HydrophobicContact CD1-CE2 4.08Å; F297-Y301 HydrophobicContact CD2-CD2 4.32Å; F297-Y301 AromaticContact CD2-CE2 3.74Å; F297-Y301 HydrophobicContact CD2-CE2 3.74Å; F297-Y301 HydrophobicContact CE1-CD2 4.03Å; F297-Y301 AromaticContact CE1-CE2 3.77Å; F297-Y301 HydrophobicContact CE1-CE2 3.77Å; F297-Y301 HydrophobicContact CE1-CG 4.49Å; F297-Y301 HydrophobicContact CE2-CD2 4.31Å; F297-Y301 AromaticContact CE2-CE2 3.42Å; F297-Y301 HydrophobicContact CE2-CE2 3.42Å; F297-Y301 VanDerWaalsContact CE2-CE2 3.42Å; F297-Y301 AromaticContact CE2-CZ 3.79Å; F297-Y301 HydrophobicContact CG-CD2 4.2Å; F297-Y301 HydrophobicContact CG-CE2 4.07Å; F297-Y301 HydrophobicContact CZ-CD2 4.17Å; F297-Y301 HydrophobicContact CZ-CE1 4.28Å; F297-Y301 AromaticContact CZ-CE2 3.43Å; F297-Y301 HydrophobicContact CZ-CE2 3.43Å; F297-Y301 VanDerWaalsContact CZ-CE2 3.43Å; F297-Y301 AromaticContact CZ-CZ 3.49Å; F297-Y301 VanDerWaalsContact CZ-CZ 3.49Å; F297-Y301 WeakPolarHBondContact O-CD2 3.43Å; F297-Y301 PolarHBondContact O-N 3.12Å; F299-Y301 VanDerWaalsContact C-N 3.27Å; F299-Y301 PolarHBondContact O-N 3.41Å; Y301-E303 VanDerWaalsContact C-N 3.33Å; Y301-E303 PolarHBondContact O-N 2.89Å; Y301-R304 PolarHBondContact O-N 3.5Å; Y301-S305 WeakPolarHBondContact O-CB 3.49Å; Y301-S305 PolarHBondContact O-N 3.41Å
302	C	48.9	Very low	51.3	Low	34 Å²	34	52.7 Å²	52.7	23%	0.23	25%	0.251	C	S	.	.	H	α-helix	trans	-62.4	-31	-179.5	-71.6	0	0	0	0	115.2	V101 V298 F299 S305	V101-C302 WeakPolarHBondContact CG1-SG 3.31Å; V101-C302 WeakPolarHBondContact CG2-SG 3.12Å; V298-C302 WeakPolarHBondContact O-CB 3.46Å; V298-C302 PolarHBondContact O-N 2.78Å; V298-C302 PolarHBondContact O-SG 3.13Å; F299-C302 CarbonylContact O-C 3.54Å; F299-C302 WeakPolarHBondContact O-CA 3.47Å; F299-C302 PolarHBondContact O-N 3.13Å; C302-S305 WeakPolarHBondContact O-CB 3.06Å
303	E	51.7	Low	51.1	Low	101 Å²	101	53.6 Å²	53.6	47%	0.472	26%	0.258	S	S	.	.	H	α-helix	trans	-67.9	-56.1	172.8	-174.6	179.5	-161.7	0	0	111	F299 Y301 S305 S306 L307	F299-E303 PolarHBondContact O-N 3.38Å; Y301-E303 VanDerWaalsContact C-N 3.33Å; Y301-E303 PolarHBondContact O-N 2.89Å; E303-S305 PolarHBondContact O-N 2.81Å; E303-S305 VanDerWaalsContact O-N 3.12Å; E303-S306 PolarHBondContact O-N 3.37Å; E303-S306 PolarHBondContact O-OG 2.76Å; E303-L307 PolarHBondContact O-N 3.45Å
304	R	50.1	Low	50.8	Low	68 Å²	68	53.8 Å²	53.8	26%	0.257	27%	0.269	S	S	.	.	H	α-helix	trans	-57.3	-29.3	177	-69.7	-174.3	172.3	-171.7	1	112.8	F70 H300 Y301 S306 L307 A308	F70-R304 HydrophobicContact CE1-CB 4.36Å; H300-R304 PolarHBondContact NE2-NE 3.34Å; H300-R304 PolarHBondContact NE2-NH2 2.89Å; H300-R304 PolarHBondContact O-N 3.43Å; Y301-R304 PolarHBondContact O-N 3.5Å; R304-S306 VanDerWaalsContact C-N 3.26Å; R304-S306 PolarHBondContact O-N 3.47Å; R304-L307 PolarHBondContact O-N 3.04Å; R304-A308 WeakPolarHBondContact O-CB 3.35Å; R304-A308 PolarHBondContact O-N 3.04Å
305	S	46.3	Very low	50.3	Low	13 Å²	13	53 Å²	53	9%	0.091	27%	0.265	C	S	.	.	H	α-helix	trans	-51.3	-43.3	170.1	-156.7	0	0	0	0	113.7	R74 W105 Y301 C302 E303 M309	R74-S305 VanDerWaalsContact CZ-CB 3.47Å; R74-S305 PolarHBondContact NH2-OG 3.43Å; W105-S305 VanDerWaalsContact CZ2-OG 3.24Å; W105-S305 WeakPolarHBondContact CZ2-OG 3.15Å; W105-S305 PolarHBondContact NE1-OG 2.91Å; Y301-S305 WeakPolarHBondContact O-CB 3.49Å; Y301-S305 PolarHBondContact O-N 3.41Å; C302-S305 WeakPolarHBondContact O-CB 3.06Å; E303-S305 PolarHBondContact O-N 2.81Å; E303-S305 VanDerWaalsContact O-N 3.12Å; S305-M309 WeakPolarHBondContact O-CB 3.44Å; S305-M309 VanDerWaalsContact O-CG 3.31Å; S305-M309 WeakPolarHBondContact O-CG 3.2Å; S305-M309 PolarHBondContact O-N 3.5Å; S305-M309 VanDerWaalsContact O-N 3.13Å
306	S	49.6	Very low	49.9	Very low	54 Å²	54	50.3 Å²	50.3	38%	0.378	26%	0.256	S	S	.	.	H	α-helix	trans	-83	-30.5	-170.4	72.9	0	0	0	0	111.3	E303 R304 K310	E303-S306 PolarHBondContact O-N 3.37Å; E303-S306 PolarHBondContact O-OG 2.76Å; R304-S306 VanDerWaalsContact C-N 3.26Å; R304-S306 PolarHBondContact O-N 3.47Å; S306-K310 WeakPolarHBondContact O-CB 3.33Å; S306-K310 WeakPolarHBondContact O-CD 3.46Å; S306-K310 WeakPolarHBondContact O-CG 3.43Å; S306-K310 PolarHBondContact O-N 2.84Å; S306-K310 VanDerWaalsContact O-N 3.13Å
307	L	50.6	Low	49.9	Very low	90 Å²	90	51.1 Å²	51.1	47%	0.471	25%	0.254	S	S	.	.	H	α-helix	trans	-66.3	-52.5	169.6	-66.6	165.1	0	0	0	109.9	E303 R304 M309 K310 E311	E303-L307 PolarHBondContact O-N 3.45Å; R304-L307 PolarHBondContact O-N 3.04Å; L307-M309 PolarHBondContact O-N 3.08Å; L307-K310 PolarHBondContact O-N 3.45Å; L307-E311 PolarHBondContact O-N 3.33Å
308	A	45.6	Very low	49.8	Very low	1 Å²	1	53.5 Å²	53.5	1%	0.008	26%	0.262	C	S	.	.	H	α-helix	trans	-52.2	-49.5	176.3	0	0	0	0	0	113	E67 R304 K310 E311 L312	E67-A308 HydrophobicContact CB-CB 4.31Å; E67-A308 VanDerWaalsContact CD-CB 3.49Å; E67-A308 HydrophobicContact CG-CB 4.11Å; E67-A308 WeakPolarHBondContact OE2-CB 3.26Å; R304-A308 WeakPolarHBondContact O-CB 3.35Å; R304-A308 PolarHBondContact O-N 3.04Å; A308-K310 VanDerWaalsContact C-N 3.33Å; A308-K310 PolarHBondContact O-N 3.13Å; A308-E311 PolarHBondContact O-N 3.34Å; A308-L312 WeakPolarHBondContact O-CB 3.08Å; A308-L312 PolarHBondContact O-N 3.38Å
309	M	48	Very low	49.4	Very low	52 Å²	52	53.4 Å²	53.4	26%	0.256	26%	0.261	S	S	.	.	H	α-helix	trans	-67.9	-29.1	178.5	-71.5	-65.9	-66.1	0	0	113.4	T111 L114 S305 L307 L312 H313	T111-M309 HydrophobicContact CG2-CE 4.25Å; T111-M309 HydrophobicContact CG2-SD 4.01Å; L114-M309 HydrophobicContact CD1-CE 4.16Å; S305-M309 WeakPolarHBondContact O-CB 3.44Å; S305-M309 VanDerWaalsContact O-CG 3.31Å; S305-M309 WeakPolarHBondContact O-CG 3.2Å; S305-M309 PolarHBondContact O-N 3.5Å; S305-M309 VanDerWaalsContact O-N 3.13Å; L307-M309 PolarHBondContact O-N 3.08Å; M309-L312 HydrophobicContact CE-CD2 4.2Å; M309-L312 HydrophobicContact SD-CD2 3.86Å; M309-H313 PolarHBondContact O-N 2.84Å; M309-H313 VanDerWaalsContact O-N 3.13Å
310	K	51.8	Low	49.4	Very low	147 Å²	147	52.5 Å²	52.5	64%	0.639	26%	0.255	S	S	*	.	H	α-helix	trans	-73.3	-42.4	173.6	-76.7	169.8	-178.7	179.6	0	111.7	S306 L307 A308 H313 A314	S306-K310 WeakPolarHBondContact O-CB 3.33Å; S306-K310 WeakPolarHBondContact O-CD 3.46Å; S306-K310 WeakPolarHBondContact O-CG 3.43Å; S306-K310 PolarHBondContact O-N 2.84Å; S306-K310 VanDerWaalsContact O-N 3.13Å; L307-K310 PolarHBondContact O-N 3.45Å; A308-K310 VanDerWaalsContact C-N 3.33Å; A308-K310 PolarHBondContact O-N 3.13Å; K310-H313 PolarHBondContact O-N 3.14Å; K310-A314 WeakPolarHBondContact O-CB 3.27Å; K310-A314 PolarHBondContact O-N 3.13Å
311	E	48.7	Very low	49.2	Very low	78 Å²	78	53.1 Å²	53.1	36%	0.364	26%	0.258	S	S	.	.	H	α-helix	trans	-65.4	-38.5	173.8	-68.6	-159.7	-147.5	0	0	111.5	R63 L307 A308 H313 A314 C315	R63-E311 WeakPolarHBondContact CD-OE2 3.12Å; R63-E311 IonicContact CZ-OE2 3.65Å; R63-E311 IonicContact NE-OE2 3.6Å; R63-E311 IonicContact NH1-OE1 2.67Å; R63-E311 IonicContact NH1-OE2 2.78Å; R63-E311 PolarHBondContact NH1-OE2 3.2Å; L307-E311 PolarHBondContact O-N 3.33Å; A308-E311 PolarHBondContact O-N 3.34Å; E311-H313 PolarHBondContact O-N 3.48Å; E311-A314 PolarHBondContact O-N 3Å; E311-C315 WeakPolarHBondContact O-CB 3.34Å; E311-C315 PolarHBondContact O-N 3.21Å
312	L	46.6	Very low	48.9	Very low	13 Å²	13	52.9 Å²	52.9	7%	0.068	26%	0.259	C	S	.	.	H	α-helix	trans	-55.4	-48.7	171.5	-173.9	79.1	0	0	0	111.7	M64 L68 L114 A308 M309 N316	M64-L312 HydrophobicContact CE-CD1 3.71Å; M64-L312 HydrophobicContact CE-CG 4.41Å; M64-L312 HydrophobicContact CG-CD1 3.63Å; M64-L312 HydrophobicContact SD-CD1 3.5Å; M64-L312 WeakPolarHBondContact SD-CD1 3.21Å; L68-L312 HydrophobicContact CD1-CD1 4.08Å; L114-L312 HydrophobicContact CB-CD2 4.36Å; L114-L312 HydrophobicContact CD1-CD2 4.24Å; A308-L312 WeakPolarHBondContact O-CB 3.08Å; A308-L312 PolarHBondContact O-N 3.38Å; M309-L312 HydrophobicContact CE-CD2 4.2Å; M309-L312 HydrophobicContact SD-CD2 3.86Å; L312-N316 WeakPolarHBondContact O-CB 3.39Å; L312-N316 PolarHBondContact O-N 2.84Å
313	H	51.6	Low	48.8	Very low	99 Å²	99	53 Å²	53	46%	0.458	26%	0.259	S	S	.	.	H	α-helix	trans	-67.5	-44.8	179.6	-165.6	-56.6	0	0	0	112.1	M309 K310 E311 C315 N316 E317	M309-H313 PolarHBondContact O-N 2.84Å; M309-H313 VanDerWaalsContact O-N 3.13Å; K310-H313 PolarHBondContact O-N 3.14Å; E311-H313 PolarHBondContact O-N 3.48Å; H313-C315 VanDerWaalsContact C-N 3.31Å; H313-C315 PolarHBondContact O-N 2.98Å; H313-N316 PolarHBondContact O-N 3.17Å; H313-E317 WeakPolarHBondContact O-CG 3.43Å; H313-E317 PolarHBondContact O-N 3.15Å; H313-E317 VanDerWaalsContact O-N 3.15Å
314	A	50.2	Low	48.7	Very low	49 Å²	49	52.5 Å²	52.5	41%	0.405	26%	0.257	S	S	.	.	H	α-helix	trans	-62.3	-38.5	177.9	0	0	0	0	0	112.1	K310 E311 R318	K310-A314 WeakPolarHBondContact O-CB 3.27Å; K310-A314 PolarHBondContact O-N 3.13Å; E311-A314 PolarHBondContact O-N 3Å; A314-R318 PolarHBondContact O-N 3.41Å; A314-R318 VanDerWaalsContact O-N 3.16Å
315	C	46.2	Very low	48.5	Very low	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-64.6	-46.1	172.7	-171.7	0	0	0	0	111.9	S60 M64 E311 H313 E317 R318 C319	S60-C315 WeakPolarHBondContact CB-SG 3.3Å; M64-C315 HydrophobicContact CE-CB 3.47Å; M64-C315 VanDerWaalsContact CE-CB 3.47Å; M64-C315 VanDerWaalsContact CE-SG 3.6Å; E311-C315 WeakPolarHBondContact O-CB 3.34Å; E311-C315 PolarHBondContact O-N 3.21Å; H313-C315 VanDerWaalsContact C-N 3.31Å; H313-C315 PolarHBondContact O-N 2.98Å; C315-E317 PolarHBondContact O-N 3.43Å; C315-R318 PolarHBondContact O-N 3.29Å; C315-C319 PolarHBondContact O-N 3.03Å; C315-C319 PolarHBondContact O-SG 3.42Å
316	N	48.1	Very low	48.4	Very low	10 Å²	10	53.6 Å²	53.6	5%	0.053	27%	0.269	C	S	.	.	H	α-helix	trans	-59.5	-34.8	-178.2	-179.4	49.9	0	0	0	112.3	F118 R121 L312 H313 C319 R320	F118-N316 HydrophobicContact CD2-CB 4.48Å; R121-N316 VanDerWaalsContact NH1-CG 3.26Å; R121-N316 PolarHBondContact NH1-ND2 3.18Å; R121-N316 PolarHBondContact NH1-O 3.21Å; R121-N316 PolarHBondContact NH1-OD1 3.22Å; L312-N316 WeakPolarHBondContact O-CB 3.39Å; L312-N316 PolarHBondContact O-N 2.84Å; H313-N316 PolarHBondContact O-N 3.17Å; N316-C319 PolarHBondContact O-N 3.15Å; N316-R320 PolarHBondContact O-N 2.93Å; N316-R320 VanDerWaalsContact O-N 3.15Å
317	E	52.2	Low	48.2	Very low	51 Å²	51	53.9 Å²	53.9	24%	0.238	27%	0.271	C	S	.	.	H	α-helix	trans	-72.2	-45.9	175.6	-65.1	-63.4	89.2	0	0	112.3	R121 H313 C315 C319 R320 E321	R121-E317 IonicContact NH1-OE1 3.78Å; H313-E317 WeakPolarHBondContact O-CG 3.43Å; H313-E317 PolarHBondContact O-N 3.15Å; H313-E317 VanDerWaalsContact O-N 3.15Å; C315-E317 PolarHBondContact O-N 3.43Å; E317-C319 PolarHBondContact O-N 3.37Å; E317-R320 VanDerWaalsContact CD-NH1 3.26Å; E317-R320 WeakPolarHBondContact O-CA 3.47Å; E317-R320 VanDerWaalsContact O-CB 3.32Å; E317-R320 WeakPolarHBondContact O-CB 3.47Å; E317-R320 PolarHBondContact O-N 3.26Å; E317-R320 IonicContact OE1-CZ 3.68Å; E317-R320 IonicContact OE1-NH1 2.74Å; E317-R320 PolarHBondContact OE1-NH1 3.34Å; E317-R320 IonicContact OE2-CZ 2.95Å; E317-R320 IonicContact OE2-NH1 3.28Å; E317-R320 PolarHBondContact OE2-NH1 2.86Å; E317-R320 IonicContact OE2-NH2 3.88Å; E317-R320 PolarHBondContact OE2-NH2 2.93Å; E317-E321 PolarHBondContact O-N 3.41Å
318	R	49.9	Very low	48.1	Very low	88 Å²	88	50.9 Å²	50.9	33%	0.332	26%	0.257	S	S	.	.	H	α-helix	trans	-54.8	-34	168.7	-74.8	176.8	171	156.7	-3.8	112.6	T56 S60 A314 C315 E321 C322	T56-R318 PolarHBondContact OG1-NE 3.05Å; S60-R318 PolarHBondContact OG-NH1 3.16Å; A314-R318 PolarHBondContact O-N 3.41Å; A314-R318 VanDerWaalsContact O-N 3.16Å; C315-R318 PolarHBondContact O-N 3.29Å; R318-E321 WeakPolarHBondContact CA-OE2 3.33Å; R318-E321 PolarHBondContact O-N 2.95Å; R318-C322 VanDerWaalsContact O-CB 3.3Å; R318-C322 WeakPolarHBondContact O-CB 3.49Å; R318-C322 PolarHBondContact O-N 2.88Å
319	C	45	Very low	48.1	Very low	1 Å²	1	56 Å²	56	1%	0.007	28%	0.284	C	S	.	.	H	α-helix	trans	-71.9	-28.2	175.2	-62.1	0	0	0	0	113.3	W57 F118 C315 N316 E317 V323	W57-C319 VanDerWaalsContact CD1-SG 3.56Å; W57-C319 PolarHBondContact NE1-SG 2.92Å; F118-C319 HydrophobicContact CE2-CB 4.39Å; F118-C319 VanDerWaalsContact CE2-SG 3.52Å; C315-C319 PolarHBondContact O-N 3.03Å; C315-C319 PolarHBondContact O-SG 3.42Å; N316-C319 PolarHBondContact O-N 3.15Å; E317-C319 PolarHBondContact O-N 3.37Å; C319-V323 VanDerWaalsContact O-CG2 3.26Å; C319-V323 WeakPolarHBondContact O-CG2 3.36Å; C319-V323 PolarHBondContact O-N 3.31Å
320	R	51.5	Low	48	Very low	77 Å²	77	55.9 Å²	55.9	29%	0.291	28%	0.284	S	S	.	.	H	α-helix	trans	-66.4	-51.1	167.9	-175.3	-173.5	61.4	-122.4	-19.3	110.2	N316 E317 C322 V323 E324	N316-R320 PolarHBondContact O-N 2.93Å; N316-R320 VanDerWaalsContact O-N 3.15Å; E317-R320 VanDerWaalsContact CD-NH1 3.26Å; E317-R320 WeakPolarHBondContact O-CA 3.47Å; E317-R320 VanDerWaalsContact O-CB 3.32Å; E317-R320 WeakPolarHBondContact O-CB 3.47Å; E317-R320 PolarHBondContact O-N 3.26Å; E317-R320 IonicContact OE1-CZ 3.68Å; E317-R320 IonicContact OE1-NH1 2.74Å; E317-R320 PolarHBondContact OE1-NH1 3.34Å; E317-R320 IonicContact OE2-CZ 2.95Å; E317-R320 IonicContact OE2-NH1 3.28Å; E317-R320 PolarHBondContact OE2-NH1 2.86Å; E317-R320 IonicContact OE2-NH2 3.88Å; E317-R320 PolarHBondContact OE2-NH2 2.93Å; R320-C322 VanDerWaalsContact C-N 3.29Å; R320-C322 PolarHBondContact O-N 3.39Å; R320-V323 PolarHBondContact O-N 2.89Å; R320-E324 WeakPolarHBondContact CD-OE1 3.25Å; R320-E324 HydrophobicContact CG-CG 4.28Å; R320-E324 WeakPolarHBondContact CG-OE1 3.47Å; R320-E324 IonicContact NE-OE1 3.72Å; R320-E324 WeakPolarHBondContact O-CG 3.25Å; R320-E324 PolarHBondContact O-N 3.12Å
321	E	49	Very low	47.8	Very low	67 Å²	67	51.3 Å²	51.3	31%	0.313	27%	0.269	S	S	.	.	H	α-helix	trans	-57.7	-41.7	-178.5	-68.5	157.2	-174.2	0	0	111.8	L53 E317 R318 E324 T325	L53-E321 HydrophobicContact CD2-CB 4Å; E317-E321 PolarHBondContact O-N 3.41Å; R318-E321 WeakPolarHBondContact CA-OE2 3.33Å; R318-E321 PolarHBondContact O-N 2.95Å; E321-E324 PolarHBondContact O-N 2.96Å; E321-T325 WeakPolarHBondContact O-CB 3.41Å; E321-T325 PolarHBondContact O-N 2.67Å; E321-T325 PolarHBondContact O-OG1 3.09Å
322	C	46.3	Very low	47.8	Very low	17 Å²	17	49.7 Å²	49.7	12%	0.115	27%	0.269	C	S	.	.	H	α-helix	trans	-63.8	-44.4	173	-174.9	0	0	0	0	113	W57 R318 R320 T325 L326	W57-C322 VanDerWaalsContact CD1-CB 3.4Å; W57-C322 HydrophobicContact CG-CB 4.17Å; R318-C322 VanDerWaalsContact O-CB 3.3Å; R318-C322 WeakPolarHBondContact O-CB 3.49Å; R318-C322 PolarHBondContact O-N 2.88Å; R320-C322 VanDerWaalsContact C-N 3.29Å; R320-C322 PolarHBondContact O-N 3.39Å; C322-T325 PolarHBondContact O-N 2.97Å; C322-L326 WeakPolarHBondContact O-CB 3.46Å; C322-L326 VanDerWaalsContact O-CG 3.32Å; C322-L326 WeakPolarHBondContact O-CG 3.34Å; C322-L326 PolarHBondContact O-N 3.32Å
323	V	45.6	Very low	48	Very low	36 Å²	36	53 Å²	53	22%	0.218	28%	0.284	C	S	.	.	H	α-helix	trans	-63	-42.4	175.5	167.9	0	0	0	0	111.5	V124 C125 C319 R320 L326 S327	V124-V323 HydrophobicContact CG1-CG1 4.23Å; C125-V323 WeakPolarHBondContact SG-CG2 3.24Å; C319-V323 VanDerWaalsContact O-CG2 3.26Å; C319-V323 WeakPolarHBondContact O-CG2 3.36Å; C319-V323 PolarHBondContact O-N 3.31Å; R320-V323 PolarHBondContact O-N 2.89Å; V323-L326 PolarHBondContact O-N 3.33Å; V323-S327 WeakPolarHBondContact O-CB 3.4Å; V323-S327 PolarHBondContact O-N 3.4Å
324	E	48.9	Very low	47.9	Very low	92 Å²	92	50.4 Å²	50.4	43%	0.43	28%	0.277	S	S	.	.	H	α-helix	trans	-64.7	-41.1	178.1	-72.5	170.6	-179.4	0	0	111.4	R320 E321 S327 S328	R320-E324 WeakPolarHBondContact CD-OE1 3.25Å; R320-E324 HydrophobicContact CG-CG 4.28Å; R320-E324 WeakPolarHBondContact CG-OE1 3.47Å; R320-E324 IonicContact NE-OE1 3.72Å; R320-E324 WeakPolarHBondContact O-CG 3.25Å; R320-E324 PolarHBondContact O-N 3.12Å; E321-E324 PolarHBondContact O-N 2.96Å; E324-S327 PolarHBondContact O-N 3.42Å; E324-S328 PolarHBondContact O-N 2.95Å
325	T	46.5	Very low	47.9	Very low	69 Å²	69	50.1 Å²	50.1	42%	0.423	27%	0.268	S	S	.	.	H	α-helix	trans	-68.6	-42.1	176.7	-55.1	0	0	0	0	112.2	E321 C322 S327 S328 L329	E321-T325 WeakPolarHBondContact O-CB 3.41Å; E321-T325 PolarHBondContact O-N 2.67Å; E321-T325 PolarHBondContact O-OG1 3.09Å; C322-T325 PolarHBondContact O-N 2.97Å; T325-S327 VanDerWaalsContact C-N 3.29Å; T325-S327 PolarHBondContact O-N 3.35Å; T325-S328 PolarHBondContact O-N 2.89Å; T325-S328 PolarHBondContact O-OG 3.01Å; T325-L329 HydrophobicContact CG2-CD1 4.23Å; T325-L329 WeakPolarHBondContact O-CB 3.34Å; T325-L329 WeakPolarHBondContact O-CG 3.33Å; T325-L329 PolarHBondContact O-N 3.2Å
326	L	45.3	Very low	48.2	Very low	35 Å²	35	52.1 Å²	52.1	18%	0.183	28%	0.279	C	S	.	.	H	α-helix	trans	-64.6	-35.1	174	-72.9	169.4	0	0	0	111.6	V128 F129 C322 V323 L330	V128-L326 HydrophobicContact CG1-CB 4.24Å; F129-L326 HydrophobicContact CE2-CD1 4.13Å; F129-L326 HydrophobicContact CE2-CD2 4.41Å; C322-L326 WeakPolarHBondContact O-CB 3.46Å; C322-L326 VanDerWaalsContact O-CG 3.32Å; C322-L326 WeakPolarHBondContact O-CG 3.34Å; C322-L326 PolarHBondContact O-N 3.32Å; V323-L326 PolarHBondContact O-N 3.33Å; L326-L330 WeakPolarHBondContact O-CB 3.48Å; L326-L330 PolarHBondContact O-N 2.84Å
327	S	45.6	Very low	48.5	Very low	60 Å²	60	56.1 Å²	56.1	42%	0.42	30%	0.297	S	S	.	.	H	α-helix	trans	-68.2	-37.3	176.2	-171	0	0	0	0	113.1	V323 E324 T325 T331	V323-S327 WeakPolarHBondContact O-CB 3.4Å; V323-S327 PolarHBondContact O-N 3.4Å; E324-S327 PolarHBondContact O-N 3.42Å; T325-S327 VanDerWaalsContact C-N 3.29Å; T325-S327 PolarHBondContact O-N 3.35Å; S327-T331 WeakPolarHBondContact O-CB 3.46Å; S327-T331 PolarHBondContact O-N 3.27Å; S327-T331 PolarHBondContact O-OG1 2.85Å
328	S	46.6	Very low	48.8	Very low	26 Å²	26	60.5 Å²	60.5	18%	0.182	31%	0.312	C	S	.	.	H	α-helix	trans	-73.4	-38.2	176.3	64.2	0	0	0	0	111.4	E324 T325 T331 A332 E497	E324-S328 PolarHBondContact O-N 2.95Å; T325-S328 PolarHBondContact O-N 2.89Å; T325-S328 PolarHBondContact O-OG 3.01Å; S328-T331 PolarHBondContact O-N 3.36Å; S328-A332 WeakPolarHBondContact O-CB 3.28Å; S328-A332 PolarHBondContact O-N 2.91Å; S328-E497 WeakPolarHBondContact CB-OE2 3.26Å
329	L	46.4	Very low	49.1	Very low	109 Å²	109	60 Å²	60	57%	0.571	31%	0.313	S	S	*	.	H	α-helix	trans	-62	-44.2	172.6	-71.8	170.4	0	0	0	112.4	T325 T331 A332 H333	T325-L329 HydrophobicContact CG2-CD1 4.23Å; T325-L329 WeakPolarHBondContact O-CB 3.34Å; T325-L329 WeakPolarHBondContact O-CG 3.33Å; T325-L329 PolarHBondContact O-N 3.2Å; L329-T331 VanDerWaalsContact C-N 3.34Å; L329-T331 PolarHBondContact O-N 3.5Å; L329-A332 PolarHBondContact O-N 2.95Å; L329-H333 WeakPolarHBondContact O-CB 3.31Å; L329-H333 PolarHBondContact O-N 3.32Å
330	L	46.1	Very low	49.6	Very low	49 Å²	49	60.6 Å²	60.6	26%	0.257	32%	0.317	S	S	.	.	H	α-helix	trans	-56.8	-46.8	171.3	-94.6	178	0	0	0	112	V128 L132 L326 H333 S334	V128-L330 HydrophobicContact CB-CD1 4.46Å; V128-L330 HydrophobicContact CG1-CD1 3.79Å; V128-L330 HydrophobicContact CG2-CD1 4.14Å; L132-L330 HydrophobicContact CD1-CD2 3.8Å; L132-L330 HydrophobicContact CD1-CG 4.18Å; L132-L330 HydrophobicContact CG-CD2 3.75Å; L326-L330 WeakPolarHBondContact O-CB 3.48Å; L326-L330 PolarHBondContact O-N 2.84Å; L330-H333 PolarHBondContact O-N 2.85Å; L330-S334 WeakPolarHBondContact O-CB 3.19Å; L330-S334 PolarHBondContact O-N 3.21Å
331	T	48.3	Very low	50	Low	51 Å²	51	60.3 Å²	60.3	31%	0.313	33%	0.327	S	S	.	.	H	α-helix	trans	-62.9	-47.8	-179.5	-60.1	0	0	0	0	110.4	S327 S328 L329 H333 S334 N335	S327-T331 WeakPolarHBondContact O-CB 3.46Å; S327-T331 PolarHBondContact O-N 3.27Å; S327-T331 PolarHBondContact O-OG1 2.85Å; S328-T331 PolarHBondContact O-N 3.36Å; L329-T331 VanDerWaalsContact C-N 3.34Å; L329-T331 PolarHBondContact O-N 3.5Å; T331-H333 PolarHBondContact O-N 2.66Å; T331-S334 PolarHBondContact O-N 3.09Å; T331-S334 PolarHBondContact O-OG 2.99Å; T331-N335 WeakPolarHBondContact O-CB 3.12Å; T331-N335 PolarHBondContact O-N 3.32Å; T331-N335 PolarHBondContact O-ND2 3.47Å
332	A	48.8	Very low	50.6	Low	45 Å²	45	60 Å²	60	37%	0.372	33%	0.332	S	S	.	.	H	α-helix	trans	-58.3	-47.4	175.3	0	0	0	0	0	112.4	S328 L329 S334 N335 L336	S328-A332 WeakPolarHBondContact O-CB 3.28Å; S328-A332 PolarHBondContact O-N 2.91Å; L329-A332 PolarHBondContact O-N 2.95Å; A332-S334 PolarHBondContact O-N 3.39Å; A332-N335 PolarHBondContact O-N 3.5Å; A332-L336 WeakPolarHBondContact O-CG 3.49Å; A332-L336 PolarHBondContact O-N 3.43Å
333	H	49.5	Very low	51	Low	82 Å²	82	59.9 Å²	59.9	38%	0.38	33%	0.33	S	S	.	.	H	α-helix	trans	-59.7	-46.4	175.8	-179	-84.2	0	0	0	111.8	L329 L330 T331 N335 L336 Q337	L329-H333 WeakPolarHBondContact O-CB 3.31Å; L329-H333 PolarHBondContact O-N 3.32Å; L330-H333 PolarHBondContact O-N 2.85Å; T331-H333 PolarHBondContact O-N 2.66Å; H333-N335 VanDerWaalsContact C-N 3.26Å; H333-N335 PolarHBondContact O-N 3.14Å; H333-L336 PolarHBondContact O-N 3.09Å; H333-Q337 WeakPolarHBondContact O-CB 3.49Å; H333-Q337 PolarHBondContact O-N 2.79Å
334	S	50	Low	51.8	Low	45 Å²	45	59.6 Å²	59.6	32%	0.315	33%	0.327	S	S	.	.	H	α-helix	trans	-61.9	-35.1	177.9	82.8	0	0	0	0	112.6	L330 T331 A332 R338	L330-S334 WeakPolarHBondContact O-CB 3.19Å; L330-S334 PolarHBondContact O-N 3.21Å; T331-S334 PolarHBondContact O-N 3.09Å; T331-S334 PolarHBondContact O-OG 2.99Å; A332-S334 PolarHBondContact O-N 3.39Å; S334-R338 WeakPolarHBondContact O-CB 3.02Å; S334-R338 PolarHBondContact O-N 2.73Å
335	N	51.2	Low	52.5	Low	42 Å²	42	57.5 Å²	57.5	23%	0.225	33%	0.326	C	S	.	.	H	α-helix	trans	-71.6	-46.4	176.5	-68.5	-17	0	0	0	110.8	T331 A332 H333 Q337 R338 H339	T331-N335 WeakPolarHBondContact O-CB 3.12Å; T331-N335 PolarHBondContact O-N 3.32Å; T331-N335 PolarHBondContact O-ND2 3.47Å; A332-N335 PolarHBondContact O-N 3.5Å; H333-N335 VanDerWaalsContact C-N 3.26Å; H333-N335 PolarHBondContact O-N 3.14Å; N335-Q337 VanDerWaalsContact C-N 3.33Å; N335-Q337 PolarHBondContact O-N 3.44Å; N335-R338 PolarHBondContact O-N 3.42Å; N335-R338 VanDerWaalsContact O-N 3.13Å; N335-R338 PolarHBondContact OD1-NH1 3.35Å; N335-H339 PolarHBondContact O-CD2 3.5Å; N335-H339 PolarHBondContact O-N 2.91Å
336	L	51.8	Low	53.2	Low	43 Å²	43	55.6 Å²	55.6	23%	0.225	31%	0.313	C	S	.	.	H	α-helix	trans	-56.9	-44.5	174.5	-72.6	167.9	0	0	0	111.8	A332 H333 R338 H339 C340 L373 L377 L411	A332-L336 WeakPolarHBondContact O-CG 3.49Å; A332-L336 PolarHBondContact O-N 3.43Å; H333-L336 PolarHBondContact O-N 3.09Å; L336-R338 PolarHBondContact O-N 3.27Å; L336-H339 PolarHBondContact O-N 3.42Å; L336-C340 VanDerWaalsContact O-CB 3.31Å; L336-C340 WeakPolarHBondContact O-CB 3.29Å; L336-C340 PolarHBondContact O-N 3.32Å; L336-L373 HydrophobicContact CD2-CD2 4.02Å; L336-L377 HydrophobicContact CB-CD2 4.27Å; L336-L411 HydrophobicContact CD2-CD2 3.93Å
337	Q	54.3	Low	53.8	Low	94 Å²	94	54.1 Å²	54.1	44%	0.439	31%	0.305	S	S	.	.	H	α-helix	trans	-63.3	-40	175.6	-170.7	178.4	3.9	0	0	112.2	H333 N335 S341	H333-Q337 WeakPolarHBondContact O-CB 3.49Å; H333-Q337 PolarHBondContact O-N 2.79Å; N335-Q337 VanDerWaalsContact C-N 3.33Å; N335-Q337 PolarHBondContact O-N 3.44Å; Q337-S341 WeakPolarHBondContact O-CB 3.03Å; Q337-S341 PolarHBondContact O-N 3.02Å; Q337-S341 PolarHBondContact O-OG 2.93Å
338	R	58.1	Low	54.7	Low	142 Å²	142	57.4 Å²	57.4	54%	0.536	31%	0.312	S	S	.	.	H	α-helix	trans	-66.8	-44.5	175	-165.2	-176	-55.4	106	9.2	111.9	S334 N335 L336 S341 S342	S334-R338 WeakPolarHBondContact O-CB 3.02Å; S334-R338 PolarHBondContact O-N 2.73Å; N335-R338 PolarHBondContact O-N 3.42Å; N335-R338 VanDerWaalsContact O-N 3.13Å; N335-R338 PolarHBondContact OD1-NH1 3.35Å; L336-R338 PolarHBondContact O-N 3.27Å; R338-S341 PolarHBondContact O-N 2.96Å; R338-S342 WeakPolarHBondContact O-CB 3.42Å; R338-S342 PolarHBondContact O-N 3.18Å
339	H	56.6	Low	55.5	Low	79 Å²	79	60.9 Å²	60.9	37%	0.366	33%	0.325	S	S	.	.	H	α-helix	trans	-63.4	-48.2	176.8	-69.4	-56.9	0	0	0	111.4	N335 L336 S341 S342 L343 L373	N335-H339 PolarHBondContact O-CD2 3.5Å; N335-H339 PolarHBondContact O-N 2.91Å; L336-H339 PolarHBondContact O-N 3.42Å; H339-S341 VanDerWaalsContact C-N 3.3Å; H339-S341 PolarHBondContact O-N 3.47Å; H339-S342 PolarHBondContact O-N 3.46Å; H339-S342 VanDerWaalsContact O-N 3.14Å; H339-L343 WeakPolarHBondContact O-CG 3.5Å; H339-L343 PolarHBondContact O-N 2.83Å; H339-L373 HydrophobicContact CB-CD1 4Å
340	C	55.3	Low	56.1	Low	12 Å²	12	59.6 Å²	59.6	8%	0.081	31%	0.313	C	S	.	.	H	α-helix	trans	-55.3	-45.9	173.8	-179.6	0	0	0	0	111.4	L336 S342 L343 N344 L373	L336-C340 VanDerWaalsContact O-CB 3.31Å; L336-C340 WeakPolarHBondContact O-CB 3.29Å; L336-C340 PolarHBondContact O-N 3.32Å; C340-S342 PolarHBondContact O-N 3.4Å; C340-L343 PolarHBondContact O-N 3.49Å; C340-N344 WeakPolarHBondContact O-CB 3.47Å; C340-N344 PolarHBondContact O-N 3.28Å; C340-N344 PolarHBondContact O-ND2 3.19Å; C340-L373 HydrophobicContact CB-CB 4.32Å
341	S	60.2	Low	57	Low	72 Å²	72	61 Å²	61	50%	0.503	32%	0.318	S	S	.	.	H	α-helix	trans	-61	-43.2	176.6	-58.4	0	0	0	0	112.5	Q337 R338 H339 N344 A345	Q337-S341 WeakPolarHBondContact O-CB 3.03Å; Q337-S341 PolarHBondContact O-N 3.02Å; Q337-S341 PolarHBondContact O-OG 2.93Å; R338-S341 PolarHBondContact O-N 2.96Å; H339-S341 VanDerWaalsContact C-N 3.3Å; H339-S341 PolarHBondContact O-N 3.47Å; S341-N344 PolarHBondContact O-N 3.17Å; S341-A345 PolarHBondContact O-N 3.02Å
342	S	62.2	Low	57.7	Low	59 Å²	59	67.2 Å²	67.2	41%	0.413	34%	0.341	S	S	.	.	H	α-helix	trans	-64.5	-48.9	177.5	-176.7	0	0	0	0	112.3	R338 H339 C340 N344 A345 I346	R338-S342 WeakPolarHBondContact O-CB 3.42Å; R338-S342 PolarHBondContact O-N 3.18Å; H339-S342 PolarHBondContact O-N 3.46Å; H339-S342 VanDerWaalsContact O-N 3.14Å; C340-S342 PolarHBondContact O-N 3.4Å; S342-N344 VanDerWaalsContact C-N 3.3Å; S342-N344 PolarHBondContact O-N 2.93Å; S342-A345 WeakPolarHBondContact O-CA 3.33Å; S342-A345 WeakPolarHBondContact O-CB 3.24Å; S342-A345 PolarHBondContact O-N 2.85Å; S342-I346 WeakPolarHBondContact O-CG1 3.36Å; S342-I346 PolarHBondContact O-N 3.43Å
343	L	54.5	Low	58.1	Low	16 Å²	16	71.1 Å²	71.1	8%	0.084	35%	0.35	C	S	.	.	H	α-helix	trans	-59.6	-39.5	177.3	-63.4	179	0	0	0	112.1	H339 C340 I346 S347 F366 A369 A370 L373 L418	H339-L343 WeakPolarHBondContact O-CG 3.5Å; H339-L343 PolarHBondContact O-N 2.83Å; C340-L343 PolarHBondContact O-N 3.49Å; L343-I346 PolarHBondContact O-N 2.89Å; L343-S347 WeakPolarHBondContact O-CB 3.48Å; L343-S347 PolarHBondContact O-N 2.86Å; L343-F366 HydrophobicContact CB-CD1 4.45Å; L343-F366 HydrophobicContact CD2-CD1 3.52Å; L343-F366 HydrophobicContact CD2-CE1 3.62Å; L343-A369 HydrophobicContact CD1-CB 3.85Å; L343-A370 HydrophobicContact CB-CB 3.94Å; L343-L373 HydrophobicContact CD1-CD1 3.79Å; L343-L418 HydrophobicContact CD2-CD2 3.82Å
344	N	61.3	Low	58.1	Low	29 Å²	29	68.8 Å²	68.8	16%	0.155	34%	0.342	C	S	.	.	H	α-helix	trans	-65.7	-37.1	173.5	-82	-90.8	0	0	0	112.6	C340 S341 S342 K348 R374	C340-N344 WeakPolarHBondContact O-CB 3.47Å; C340-N344 PolarHBondContact O-N 3.28Å; C340-N344 PolarHBondContact O-ND2 3.19Å; S341-N344 PolarHBondContact O-N 3.17Å; S342-N344 VanDerWaalsContact C-N 3.3Å; S342-N344 PolarHBondContact O-N 2.93Å; N344-K348 WeakPolarHBondContact O-CB 3.18Å; N344-K348 VanDerWaalsContact O-CG 3.31Å; N344-K348 WeakPolarHBondContact O-CG 3.45Å; N344-K348 PolarHBondContact O-N 2.96Å; N344-R374 VanDerWaalsContact CG-NH2 3.33Å; N344-R374 PolarHBondContact ND2-NH2 3.25Å; N344-R374 PolarHBondContact OD1-NH1 3.11Å; N344-R374 PolarHBondContact OD1-NH2 2.97Å
345	A	63.1	Low	58.2	Low	48 Å²	48	71.2 Å²	71.2	40%	0.397	37%	0.365	S	S	.	.	H	α-helix	trans	-67.5	-42.2	175.1	0	0	0	0	0	111.4	S341 S342 K348 Q349	S341-A345 PolarHBondContact O-N 3.02Å; S342-A345 WeakPolarHBondContact O-CA 3.33Å; S342-A345 WeakPolarHBondContact O-CB 3.24Å; S342-A345 PolarHBondContact O-N 2.85Å; A345-K348 PolarHBondContact O-N 3.25Å; A345-Q349 WeakPolarHBondContact O-CG 3.46Å; A345-Q349 PolarHBondContact O-N 2.8Å
346	I	61.1	Low	58.6	Low	30 Å²	30	74.1 Å²	74.1	15%	0.154	38%	0.381	C	S	.	.	H	α-helix	trans	-61.9	-50.4	176.2	-66.5	164.3	0	0	0	110.4	S342 L343 K348 Q349 W350 F366	S342-I346 WeakPolarHBondContact O-CG1 3.36Å; S342-I346 PolarHBondContact O-N 3.43Å; L343-I346 PolarHBondContact O-N 2.89Å; I346-K348 VanDerWaalsContact C-N 3.32Å; I346-K348 PolarHBondContact O-N 3.06Å; I346-Q349 WeakPolarHBondContact O-CB 3.37Å; I346-Q349 PolarHBondContact O-N 3.28Å; I346-W350 VanDerWaalsContact O-CD1 3.25Å; I346-W350 PolarHBondContact O-N 2.74Å; I346-F366 HydrophobicContact CB-CD1 3.94Å; I346-F366 HydrophobicContact CB-CE1 4.17Å; I346-F366 HydrophobicContact CD1-CD1 4.32Å; I346-F366 HydrophobicContact CD1-CE1 3.85Å; I346-F366 HydrophobicContact CG2-CD1 3.54Å; I346-F366 HydrophobicContact CG2-CD2 4.3Å; I346-F366 HydrophobicContact CG2-CE1 3.58Å; I346-F366 HydrophobicContact CG2-CE2 4.31Å; I346-F366 HydrophobicContact CG2-CG 3.93Å; I346-F366 HydrophobicContact CG2-CZ 3.98Å
347	S	58.3	Low	58.8	Low	4 Å²	4	80 Å²	80	3%	0.028	41%	0.407	C	S	.	.	H	α-helix	trans	-50.1	-51.6	174.7	-166	0	0	0	0	111.3	L343 Q349 W350 E351 A363	L343-S347 WeakPolarHBondContact O-CB 3.48Å; L343-S347 PolarHBondContact O-N 2.86Å; S347-Q349 VanDerWaalsContact C-N 3.25Å; S347-Q349 PolarHBondContact O-N 3.27Å; S347-W350 PolarHBondContact O-N 3.3Å; S347-E351 WeakPolarHBondContact CB-OE1 3.4Å; S347-E351 WeakPolarHBondContact O-CB 3.17Å; S347-E351 WeakPolarHBondContact O-CG 3.23Å; S347-E351 PolarHBondContact O-N 2.9Å; S347-E351 PolarHBondContact OG-OE1 3.5Å; S347-A363 PolarHBondContact OG-O 3Å
348	K	64.4	Low	58.9	Low	128 Å²	128	81.1 Å²	81.1	56%	0.557	41%	0.407	S	S	*	.	H	α-helix	trans	-65.2	-19.6	178.2	-71.8	174.7	-179.5	-179.8	0	114.7	N344 A345 I346 K352	N344-K348 WeakPolarHBondContact O-CB 3.18Å; N344-K348 VanDerWaalsContact O-CG 3.31Å; N344-K348 WeakPolarHBondContact O-CG 3.45Å; N344-K348 PolarHBondContact O-N 2.96Å; A345-K348 PolarHBondContact O-N 3.25Å; I346-K348 VanDerWaalsContact C-N 3.32Å; I346-K348 PolarHBondContact O-N 3.06Å; K348-K352 WeakPolarHBondContact O-CD 3.27Å; K348-K352 VanDerWaalsContact O-CG 3.27Å; K348-K352 WeakPolarHBondContact O-CG 3.13Å
349	Q	65	Low	58.8	Low	100 Å²	100	75.9 Å²	75.9	47%	0.467	39%	0.39	S	S	.	.	H	α-helix	trans	-80.7	-45.3	171.4	-73.9	-169.1	32.8	0	0	111.8	A345 I346 S347 K352 K353	A345-Q349 WeakPolarHBondContact O-CG 3.46Å; A345-Q349 PolarHBondContact O-N 2.8Å; I346-Q349 WeakPolarHBondContact O-CB 3.37Å; I346-Q349 PolarHBondContact O-N 3.28Å; S347-Q349 VanDerWaalsContact C-N 3.25Å; S347-Q349 PolarHBondContact O-N 3.27Å; Q349-K352 PolarHBondContact O-N 2.7Å; Q349-K353 WeakPolarHBondContact O-CB 3.2Å; Q349-K353 WeakPolarHBondContact O-CG 3.18Å; Q349-K353 PolarHBondContact O-N 3.41Å; Q349-K353 VanDerWaalsContact O-N 3.1Å
350	W	59	Low	58.8	Low	82 Å²	82	75.3 Å²	75.3	31%	0.311	39%	0.389	S	S	.	.	H	α-helix	trans	-65.9	-41.9	179.4	-72.6	100.4	0	0	0	111.7	I346 S347 K352 K353 N359	I346-W350 VanDerWaalsContact O-CD1 3.25Å; I346-W350 PolarHBondContact O-N 2.74Å; S347-W350 PolarHBondContact O-N 3.3Å; W350-K352 PolarHBondContact O-N 3.27Å; W350-K352 VanDerWaalsContact O-N 3.14Å; W350-K353 PolarHBondContact O-N 2.83Å; W350-K353 VanDerWaalsContact O-N 3.12Å; W350-N359 HydrophobicContact CE3-CB 4.08Å
351	E	63.2	Low	58.9	Low	77 Å²	77	78.3 Å²	78.3	36%	0.36	40%	0.404	S	S	.	.	H	α-helix	trans	-55.3	-28.2	172.1	-70.9	164.9	-139.3	0	0	113.4	S347 A363 R367	S347-E351 WeakPolarHBondContact CB-OE1 3.4Å; S347-E351 WeakPolarHBondContact O-CB 3.17Å; S347-E351 WeakPolarHBondContact O-CG 3.23Å; S347-E351 PolarHBondContact O-N 2.9Å; S347-E351 PolarHBondContact OG-OE1 3.5Å; E351-A363 HydrophobicContact CG-CB 3.67Å; E351-R367 IonicContact OE1-CZ 2.72Å; E351-R367 IonicContact OE1-NE 3.21Å; E351-R367 IonicContact OE1-NH2 2.67Å; E351-R367 PolarHBondContact OE1-NH2 3.39Å; E351-R367 IonicContact OE2-NH2 3.02Å; E351-R367 PolarHBondContact OE2-NH2 2.73Å
352	K	63.2	Low	58.8	Low	182 Å²	182	75.5 Å²	75.5	79%	0.791	38%	0.383	S	S	*	.	H	α-helix	trans	-93	-20.6	179.3	-74.5	-179.6	179.5	-173	0	114.4	K348 Q349 W350	K348-K352 WeakPolarHBondContact O-CD 3.27Å; K348-K352 VanDerWaalsContact O-CG 3.27Å; K348-K352 WeakPolarHBondContact O-CG 3.13Å; Q349-K352 PolarHBondContact O-N 2.7Å; W350-K352 PolarHBondContact O-N 3.27Å; W350-K352 VanDerWaalsContact O-N 3.14Å
353	K	57.6	Low	58.6	Low	128 Å²	128	72.9 Å²	72.9	56%	0.557	37%	0.365	S	S	*	.	H	α-helix	trans	-85.9	-20.6	-169.3	-83.7	172.8	174.8	171.6	0	113.9	Q349 W350	Q349-K353 WeakPolarHBondContact O-CB 3.2Å; Q349-K353 WeakPolarHBondContact O-CG 3.18Å; Q349-K353 PolarHBondContact O-N 3.41Å; Q349-K353 VanDerWaalsContact O-N 3.1Å; W350-K353 PolarHBondContact O-N 2.83Å; W350-K353 VanDerWaalsContact O-N 3.12Å
354	S	49.9	Very low	59.1	Low	32 Å²	32	76.8 Å²	76.8	22%	0.224	39%	0.385	C	S	.	.			trans	-170.6	152.7	179.2	59.7	0	0	0	0	113	D356 N359	S354-D356 PolarHBondContact O-N 3.29Å; S354-N359 VanDerWaalsContact OG-CB 3.25Å; S354-N359 WeakPolarHBondContact OG-CB 3.36Å; S354-N359 PolarHBondContact OG-ND2 3.31Å
355	A	52.7	Low	59.1	Low	96 Å²	96	77.4 Å²	77.4	79%	0.793	39%	0.386	S	S	*	.			trans	-80.1	4	168.2	0	0	0	0	0	114.5	Q357 N360	A355-Q357 PolarHBondContact O-N 3.39Å; A355-N360 PolarHBondContact O-ND2 3.2Å
356	D	58	Low	58.9	Low	104 Å²	104	76.8 Å²	76.8	56%	0.556	38%	0.375	S	S	*	.			trans	-60.8	130.9	-176.4	-82.5	-42.1	0	0	0	112.7	S354 R358 N359 N360	S354-D356 PolarHBondContact O-N 3.29Å; D356-R358 PolarHBondContact O-N 3.34Å; D356-N359 HydrophobicContact CB-CB 4.41Å; D356-N359 PolarHBondContact O-N 2.71Å; D356-N360 PolarHBondContact O-N 3.01Å
357	Q	57.5	Low	59.1	Low	165 Å²	165	81.8 Å²	81.8	77%	0.771	39%	0.391	S	S	*	.	H	α-helix	trans	-51.1	-33.9	175	-71.7	-178.6	-22.6	0	0	113	A355 L361	A355-Q357 PolarHBondContact O-N 3.39Å; Q357-L361 WeakPolarHBondContact O-CG 3.37Å; Q357-L361 PolarHBondContact O-N 2.88Å
358	R	56.3	Low	59.4	Low	119 Å²	119	83.3 Å²	83.3	45%	0.449	40%	0.402	S	S	.	.	H	α-helix	trans	-67.9	-40.6	178	-60.4	-177.5	-171.7	174.7	5.1	112.1	D356 L361 F362	D356-R358 PolarHBondContact O-N 3.34Å; R358-L361 WeakPolarHBondContact O-CB 3.29Å; R358-L361 PolarHBondContact O-N 2.76Å; R358-F362 WeakPolarHBondContact O-CD2 3.14Å; R358-F362 PolarHBondContact O-N 3.37Å
359	N	54.6	Low	59.1	Low	31 Å²	31	77.2 Å²	77.2	17%	0.166	38%	0.376	C	S	.	.	H	α-helix	trans	-78.5	-26.6	179.3	-68	-8.2	0	0	0	111.8	W350 S354 D356 F362 A363	W350-N359 HydrophobicContact CE3-CB 4.08Å; S354-N359 VanDerWaalsContact OG-CB 3.25Å; S354-N359 WeakPolarHBondContact OG-CB 3.36Å; S354-N359 PolarHBondContact OG-ND2 3.31Å; D356-N359 HydrophobicContact CB-CB 4.41Å; D356-N359 PolarHBondContact O-N 2.71Å; N359-F362 PolarHBondContact O-N 2.83Å; N359-A363 PolarHBondContact O-N 3.27Å
360	N	58.3	Low	58.8	Low	68 Å²	68	72.5 Å²	72.5	36%	0.364	35%	0.354	S	S	.	.	H	α-helix	trans	-63.8	-42.3	163.9	-66.5	-28.6	0	0	0	111.7	A355 D356 A363 I364	A355-N360 PolarHBondContact O-ND2 3.2Å; D356-N360 PolarHBondContact O-N 3.01Å; N360-A363 PolarHBondContact O-N 3.28Å; N360-I364 VanDerWaalsContact O-CG1 3.28Å; N360-I364 WeakPolarHBondContact O-CG1 2.95Å; N360-I364 PolarHBondContact O-N 3.07Å
361	L	57.5	Low	59.2	Low	74 Å²	74	71.9 Å²	71.9	39%	0.387	36%	0.362	S	S	.	.	H	α-helix	trans	-60.8	-46.1	172.5	-74.1	166.4	0	0	0	111.5	Q357 R358 A363 I364 F365 I424	Q357-L361 WeakPolarHBondContact O-CG 3.37Å; Q357-L361 PolarHBondContact O-N 2.88Å; R358-L361 WeakPolarHBondContact O-CB 3.29Å; R358-L361 PolarHBondContact O-N 2.76Å; L361-A363 VanDerWaalsContact C-N 3.35Å; L361-A363 PolarHBondContact O-N 3.47Å; L361-I364 WeakPolarHBondContact O-CB 3.5Å; L361-I364 PolarHBondContact O-N 2.89Å; L361-I364 VanDerWaalsContact O-N 3.1Å; L361-F365 WeakPolarHBondContact O-CD2 3.32Å; L361-F365 PolarHBondContact O-N 3.23Å; L361-I424 HydrophobicContact CB-CD1 4.37Å
362	F	57.3	Low	59.3	Low	14 Å²	14	70.4 Å²	70.4	6%	0.061	36%	0.355	C	S	.	.	H	α-helix	trans	-53.9	-49.4	172.6	-82.6	-73	0	0	0	112.5	R358 N359 I364 F365 F366 A421 I424 Q425	R358-F362 WeakPolarHBondContact O-CD2 3.14Å; R358-F362 PolarHBondContact O-N 3.37Å; N359-F362 PolarHBondContact O-N 2.83Å; F362-I364 VanDerWaalsContact C-N 3.29Å; F362-I364 PolarHBondContact O-N 3.47Å; F362-F365 PolarHBondContact O-N 2.91Å; F362-F366 WeakPolarHBondContact O-CD2 3.33Å; F362-F366 PolarHBondContact O-N 3.41Å; F362-A421 HydrophobicContact CD1-CB 4.33Å; F362-A421 WeakPolarHBondContact CE1-O 3.48Å; F362-I424 HydrophobicContact CE2-CG2 4.19Å; F362-I424 HydrophobicContact CZ-CG2 4.26Å; F362-Q425 HydrophobicContact CE1-CB 3.85Å; F362-Q425 HydrophobicContact CE1-CG 4.2Å; F362-Q425 HydrophobicContact CZ-CB 3.59Å; F362-Q425 HydrophobicContact CZ-CG 3.83Å
363	A	58.6	Low	58.9	Low	4 Å²	4	62.4 Å²	62.4	3%	0.033	32%	0.321	C	S	.	.	H	α-helix	trans	-59.5	-39.1	176.9	0	0	0	0	0	112.2	S347 E351 N359 N360 L361 R367	S347-A363 PolarHBondContact OG-O 3Å; E351-A363 HydrophobicContact CG-CB 3.67Å; N359-A363 PolarHBondContact O-N 3.27Å; N360-A363 PolarHBondContact O-N 3.28Å; L361-A363 VanDerWaalsContact C-N 3.35Å; L361-A363 PolarHBondContact O-N 3.47Å; A363-R367 WeakPolarHBondContact O-CB 3.34Å; A363-R367 PolarHBondContact O-N 3.3Å
364	I	65.2	Low	59.2	Low	98 Å²	98	61.1 Å²	61.1	50%	0.503	31%	0.313	S	S	.	.	H	α-helix	trans	-60.7	-47.3	174.8	-71.2	161.9	0	0	0	111.2	N360 L361 F362 R367 S368	N360-I364 VanDerWaalsContact O-CG1 3.28Å; N360-I364 WeakPolarHBondContact O-CG1 2.95Å; N360-I364 PolarHBondContact O-N 3.07Å; L361-I364 WeakPolarHBondContact O-CB 3.5Å; L361-I364 PolarHBondContact O-N 2.89Å; L361-I364 VanDerWaalsContact O-N 3.1Å; F362-I364 VanDerWaalsContact C-N 3.29Å; F362-I364 PolarHBondContact O-N 3.47Å; I364-R367 CarbonylContact O-C 3.52Å; I364-R367 PolarHBondContact O-N 3.09Å; I364-S368 WeakPolarHBondContact O-CB 3.38Å; I364-S368 PolarHBondContact O-N 3.44Å
365	F	60	Low	59.8	Low	42 Å²	42	64.7 Å²	64.7	18%	0.184	32%	0.324	C	S	.	.	H	α-helix	trans	-70.2	-38.9	179.9	-75.7	-75.2	0	0	0	113.4	L361 F362 R367 S368 A369 S417 D420 A421 I424	L361-F365 WeakPolarHBondContact O-CD2 3.32Å; L361-F365 PolarHBondContact O-N 3.23Å; F362-F365 PolarHBondContact O-N 2.91Å; F365-R367 VanDerWaalsContact C-N 3.31Å; F365-R367 PolarHBondContact O-N 2.89Å; F365-S368 WeakPolarHBondContact O-CB 3.48Å; F365-S368 PolarHBondContact O-N 3.25Å; F365-A369 PolarHBondContact O-N 2.83Å; F365-S417 WeakPolarHBondContact CB-O 3.42Å; F365-S417 WeakPolarHBondContact CD1-O 3.37Å; F365-D420 HydrophobicContact CD1-CB 3.63Å; F365-D420 HydrophobicContact CE1-CB 3.37Å; F365-D420 HydrophobicContact CG-CB 4.39Å; F365-D420 HydrophobicContact CZ-CB 3.97Å; F365-A421 HydrophobicContact CB-CB 3.72Å; F365-A421 HydrophobicContact CG-CB 4.38Å; F365-I424 HydrophobicContact CD2-CD1 3.81Å; F365-I424 HydrophobicContact CE2-CD1 3.3Å; F365-I424 HydrophobicContact CZ-CD1 4.11Å
366	F	59.4	Low	60.1	Low	35 Å²	35	60.3 Å²	60.3	15%	0.154	29%	0.288	C	S	.	.	H	α-helix	trans	-65.2	-35.5	172.4	-88.4	-91.1	0	0	0	112.2	L343 I346 F362 A370 L418 A421	L343-F366 HydrophobicContact CB-CD1 4.45Å; L343-F366 HydrophobicContact CD2-CD1 3.52Å; L343-F366 HydrophobicContact CD2-CE1 3.62Å; I346-F366 HydrophobicContact CB-CD1 3.94Å; I346-F366 HydrophobicContact CB-CE1 4.17Å; I346-F366 HydrophobicContact CD1-CD1 4.32Å; I346-F366 HydrophobicContact CD1-CE1 3.85Å; I346-F366 HydrophobicContact CG2-CD1 3.54Å; I346-F366 HydrophobicContact CG2-CD2 4.3Å; I346-F366 HydrophobicContact CG2-CE1 3.58Å; I346-F366 HydrophobicContact CG2-CE2 4.31Å; I346-F366 HydrophobicContact CG2-CG 3.93Å; I346-F366 HydrophobicContact CG2-CZ 3.98Å; F362-F366 WeakPolarHBondContact O-CD2 3.33Å; F362-F366 PolarHBondContact O-N 3.41Å; F366-A370 VanDerWaalsContact O-CB 3.27Å; F366-A370 WeakPolarHBondContact O-CB 3.46Å; F366-A370 PolarHBondContact O-N 3.33Å; F366-L418 HydrophobicContact CD1-CD2 4.32Å; F366-L418 HydrophobicContact CE1-CD2 4.08Å; F366-L418 HydrophobicContact CZ-CD2 4.38Å; F366-A421 HydrophobicContact CD2-CB 4.43Å; F366-A421 HydrophobicContact CE2-CB 4.18Å
367	R	64.5	Low	60	Low	134 Å²	134	57.3 Å²	57.3	51%	0.506	27%	0.272	S	S	.	.	H	α-helix	trans	-69.6	-37.3	172.4	-172.5	-179.6	-63.6	-168.4	-3.3	112	E351 A363 I364 F365 A370 S371	E351-R367 IonicContact OE1-CZ 2.72Å; E351-R367 IonicContact OE1-NE 3.21Å; E351-R367 IonicContact OE1-NH2 2.67Å; E351-R367 PolarHBondContact OE1-NH2 3.39Å; E351-R367 IonicContact OE2-NH2 3.02Å; E351-R367 PolarHBondContact OE2-NH2 2.73Å; A363-R367 WeakPolarHBondContact O-CB 3.34Å; A363-R367 PolarHBondContact O-N 3.3Å; I364-R367 CarbonylContact O-C 3.52Å; I364-R367 PolarHBondContact O-N 3.09Å; F365-R367 VanDerWaalsContact C-N 3.31Å; F365-R367 PolarHBondContact O-N 2.89Å; R367-A370 CarbonylContact O-C 3.48Å; R367-A370 PolarHBondContact O-N 3.47Å; R367-S371 WeakPolarHBondContact O-CB 3.49Å; R367-S371 PolarHBondContact O-N 3.34Å
368	S	65.9	Low	60.2	Low	37 Å²	37	54.2 Å²	54.2	26%	0.259	26%	0.258	S	S	.	.	H	α-helix	trans	-61.5	-53	173.8	-173.1	0	0	0	0	111	I364 F365 A370 S371 H372 S417	I364-S368 WeakPolarHBondContact O-CB 3.38Å; I364-S368 PolarHBondContact O-N 3.44Å; F365-S368 WeakPolarHBondContact O-CB 3.48Å; F365-S368 PolarHBondContact O-N 3.25Å; S368-A370 VanDerWaalsContact C-N 3.31Å; S368-A370 PolarHBondContact O-N 3.22Å; S368-S371 WeakPolarHBondContact O-CA 3.5Å; S368-S371 VanDerWaalsContact O-CB 3.3Å; S368-S371 WeakPolarHBondContact O-CB 3.48Å; S368-S371 PolarHBondContact O-N 2.88Å; S368-H372 PolarHBondContact O-CD2 3.49Å; S368-H372 VanDerWaalsContact O-CD2 3.23Å; S368-H372 PolarHBondContact O-N 3.13Å; S368-S417 PolarHBondContact OG-OG 2.83Å
369	A	56.9	Low	60.2	Low	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-58.3	-42.5	175.4	0	0	0	0	0	112.2	L343 F365 S371 H372 L373 L418	L343-A369 HydrophobicContact CD1-CB 3.85Å; F365-A369 PolarHBondContact O-N 2.83Å; A369-S371 VanDerWaalsContact C-N 3.28Å; A369-S371 PolarHBondContact O-N 3.13Å; A369-H372 PolarHBondContact O-N 3.37Å; A369-L373 WeakPolarHBondContact O-CG 3.27Å; A369-L373 PolarHBondContact O-N 3.06Å; A369-L418 HydrophobicContact CB-CD1 4.37Å; A369-L418 HydrophobicContact CB-CD2 3.75Å; A369-L418 HydrophobicContact CB-CG 3.73Å
370	A	60	Low	60.3	Low	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-66.6	-26.3	173.6	0	0	0	0	0	113.7	L343 F366 R367 S368 R374	L343-A370 HydrophobicContact CB-CB 3.94Å; F366-A370 VanDerWaalsContact O-CB 3.27Å; F366-A370 WeakPolarHBondContact O-CB 3.46Å; F366-A370 PolarHBondContact O-N 3.33Å; R367-A370 CarbonylContact O-C 3.48Å; R367-A370 PolarHBondContact O-N 3.47Å; S368-A370 VanDerWaalsContact C-N 3.31Å; S368-A370 PolarHBondContact O-N 3.22Å; A370-R374 WeakPolarHBondContact O-CG 3.28Å; A370-R374 PolarHBondContact O-N 3.33Å; A370-R374 VanDerWaalsContact O-N 3.07Å
371	S	66	Low	60	Low	70 Å²	70	49.7 Å²	49.7	49%	0.49	26%	0.257	S	S	.	.	H	α-helix	trans	-74.9	-44.9	175.5	-157.9	0	0	0	0	110.9	R367 S368 A369 R374 F375	R367-S371 WeakPolarHBondContact O-CB 3.49Å; R367-S371 PolarHBondContact O-N 3.34Å; S368-S371 WeakPolarHBondContact O-CA 3.5Å; S368-S371 VanDerWaalsContact O-CB 3.3Å; S368-S371 WeakPolarHBondContact O-CB 3.48Å; S368-S371 PolarHBondContact O-N 2.88Å; A369-S371 VanDerWaalsContact C-N 3.28Å; A369-S371 PolarHBondContact O-N 3.13Å; S371-R374 WeakPolarHBondContact O-CB 3.46Å; S371-R374 PolarHBondContact O-N 3.47Å; S371-R374 VanDerWaalsContact O-N 3.14Å; S371-F375 WeakPolarHBondContact O-CB 3.21Å; S371-F375 PolarHBondContact O-N 3.26Å
372	H	65.1	Low	59.9	Low	46 Å²	46	49.8 Å²	49.8	21%	0.213	26%	0.258	C	S	.	.	H	α-helix	trans	-63.3	-40.1	173.9	-71	-63.3	0	0	0	112.1	S368 A369 R374 F375 A376 E410 C413 A414	S368-H372 PolarHBondContact O-CD2 3.49Å; S368-H372 VanDerWaalsContact O-CD2 3.23Å; S368-H372 PolarHBondContact O-N 3.13Å; A369-H372 PolarHBondContact O-N 3.37Å; H372-R374 VanDerWaalsContact C-N 3.33Å; H372-R374 PolarHBondContact O-N 2.84Å; H372-F375 PolarHBondContact O-N 3.02Å; H372-A376 WeakPolarHBondContact O-CB 3.46Å; H372-A376 PolarHBondContact O-N 3.23Å; H372-E410 IonicContact CE1-OE2 3.92Å; H372-E410 IonicContact CG-OE2 2.66Å; H372-E410 IonicContact ND1-OE2 3.87Å; H372-E410 PolarHBondContact ND1-OE2 2.84Å; H372-C413 HydrophobicContact CB-CB 4.48Å; H372-C413 VanDerWaalsContact CE1-CB 3.46Å; H372-C413 WeakPolarHBondContact CE1-CB 3.43Å; H372-C413 WeakPolarHBondContact ND1-CB 3.31Å; H372-A414 HydrophobicContact CB-CB 3.78Å
373	L	55.1	Low	59.7	Low	14 Å²	14	50.5 Å²	50.5	7%	0.073	26%	0.261	C	S	.	.	H	α-helix	trans	-66.4	-31.3	172.2	-67.9	-170.6	0	0	0	113.3	L336 H339 C340 L343 A369 L377 L411 A414	L336-L373 HydrophobicContact CD2-CD2 4.02Å; H339-L373 HydrophobicContact CB-CD1 4Å; C340-L373 HydrophobicContact CB-CB 4.32Å; L343-L373 HydrophobicContact CD1-CD1 3.79Å; A369-L373 WeakPolarHBondContact O-CG 3.27Å; A369-L373 PolarHBondContact O-N 3.06Å; L373-L377 WeakPolarHBondContact O-CD1 3.46Å; L373-L377 VanDerWaalsContact O-CG 3.3Å; L373-L377 WeakPolarHBondContact O-CG 3.34Å; L373-L377 PolarHBondContact O-N 3.36Å; L373-L411 HydrophobicContact CD2-CD2 3.89Å; L373-A414 HydrophobicContact CD2-CB 3.9Å; L373-A414 HydrophobicContact CG-CB 4.12Å
374	R	64.4	Low	59.4	Low	100 Å²	100	53.2 Å²	53.2	38%	0.377	28%	0.284	S	S	.	.	H	α-helix	trans	-68.4	-49.2	169.9	-84.1	-169.3	-174.4	96	1.4	111.4	N344 A370 S371 H372 A376 L377 E378	N344-R374 VanDerWaalsContact CG-NH2 3.33Å; N344-R374 PolarHBondContact ND2-NH2 3.25Å; N344-R374 PolarHBondContact OD1-NH1 3.11Å; N344-R374 PolarHBondContact OD1-NH2 2.97Å; A370-R374 WeakPolarHBondContact O-CG 3.28Å; A370-R374 PolarHBondContact O-N 3.33Å; A370-R374 VanDerWaalsContact O-N 3.07Å; S371-R374 WeakPolarHBondContact O-CB 3.46Å; S371-R374 PolarHBondContact O-N 3.47Å; S371-R374 VanDerWaalsContact O-N 3.14Å; H372-R374 VanDerWaalsContact C-N 3.33Å; H372-R374 PolarHBondContact O-N 2.84Å; R374-A376 PolarHBondContact O-N 3.45Å; R374-L377 CarbonylContact O-C 3.49Å; R374-L377 WeakPolarHBondContact O-CA 3.4Å; R374-L377 WeakPolarHBondContact O-CB 3.29Å; R374-L377 PolarHBondContact O-N 3.45Å; R374-E378 WeakPolarHBondContact O-CB 3.09Å; R374-E378 WeakPolarHBondContact O-CG 3.43Å; R374-E378 PolarHBondContact O-N 3.49Å
375	F	63	Low	58.5	Low	107 Å²	107	54 Å²	54	47%	0.469	29%	0.286	S	S	.	.	H	α-helix	trans	-65.7	-27.4	-177.9	-169.6	-104.2	0	0	0	112.2	S371 H372 G379 E410	S371-F375 WeakPolarHBondContact O-CB 3.21Å; S371-F375 PolarHBondContact O-N 3.26Å; H372-F375 PolarHBondContact O-N 3.02Å; F375-G379 WeakPolarHBondContact O-CA 3.45Å; F375-G379 PolarHBondContact O-N 3.39Å; F375-E410 HydrophobicContact CD1-CG 3.72Å; F375-E410 WeakPolarHBondContact CD1-OE2 3.35Å; F375-E410 HydrophobicContact CE1-CG 4.29Å
376	A	58.4	Low	58.1	Low	5 Å²	5	57.6 Å²	57.6	4%	0.041	30%	0.301	C	S	.	.	H	α-helix	trans	-67.9	-40.4	166.7	0	0	0	0	0	113.1	H372 R374 C380 E410	H372-A376 WeakPolarHBondContact O-CB 3.46Å; H372-A376 PolarHBondContact O-N 3.23Å; R374-A376 PolarHBondContact O-N 3.45Å; A376-C380 PolarHBondContact O-N 2.8Å; A376-C380 PolarHBondContact O-SG 2.82Å; A376-E410 HydrophobicContact CB-CB 4.07Å
377	L	56.4	Low	57.5	Low	40 Å²	40	58.7 Å²	58.7	21%	0.209	31%	0.308	C	S	.	.	H	α-helix	trans	-72.1	-37.7	176.2	-70.9	167.1	0	0	0	112.5	L336 L373 R374 C380 A381	L336-L377 HydrophobicContact CB-CD2 4.27Å; L373-L377 WeakPolarHBondContact O-CD1 3.46Å; L373-L377 VanDerWaalsContact O-CG 3.3Å; L373-L377 WeakPolarHBondContact O-CG 3.34Å; L373-L377 PolarHBondContact O-N 3.36Å; R374-L377 CarbonylContact O-C 3.49Å; R374-L377 WeakPolarHBondContact O-CA 3.4Å; R374-L377 WeakPolarHBondContact O-CB 3.29Å; R374-L377 PolarHBondContact O-N 3.45Å; L377-C380 WeakPolarHBondContact O-CB 3.16Å; L377-C380 PolarHBondContact O-N 2.77Å; L377-A381 PolarHBondContact O-N 2.99Å
378	E	61.4	Low	56.5	Low	101 Å²	101	56 Å²	56	47%	0.472	30%	0.301	S	S	.	.	H	α-helix	trans	-66.2	-44.9	171.9	-71.1	157.4	-168.5	0	0	109.2	R374 C380 A381 D382	R374-E378 WeakPolarHBondContact O-CB 3.09Å; R374-E378 WeakPolarHBondContact O-CG 3.43Å; R374-E378 PolarHBondContact O-N 3.49Å; E378-C380 VanDerWaalsContact C-N 3.29Å; E378-C380 PolarHBondContact O-N 3.4Å; E378-A381 CarbonylContact O-C 3.57Å; E378-A381 WeakPolarHBondContact O-CA 3.21Å; E378-A381 WeakPolarHBondContact O-CB 3.46Å; E378-A381 PolarHBondContact O-N 2.85Å; E378-D382 WeakPolarHBondContact O-CB 3.49Å; E378-D382 PolarHBondContact O-N 3.38Å
379	G	57.3	Low	55.3	Low	16 Å²	16	59.9 Å²	59.9	17%	0.165	32%	0.319	C	S	.	.	H	α-helix	trans	-54.8	-38.2	171.1	0	0	0	0	0	113.9	F375 A381 F383 F403	F375-G379 WeakPolarHBondContact O-CA 3.45Å; F375-G379 PolarHBondContact O-N 3.39Å; G379-A381 VanDerWaalsContact C-N 3.32Å; G379-A381 PolarHBondContact O-N 2.94Å; G379-F383 WeakPolarHBondContact O-CB 3.21Å; G379-F383 PolarHBondContact O-N 2.84Å; G379-F403 WeakPolarHBondContact O-CE2 3.34Å
380	C	55.3	Low	54.7	Low	49 Å²	49	61.6 Å²	61.6	33%	0.331	33%	0.33	S	S	.	.	H	α-helix	trans	-63	-36.2	171.9	-71.7	0	0	0	0	112.8	A376 L377 E378 A384 F403 L407	A376-C380 PolarHBondContact O-N 2.8Å; A376-C380 PolarHBondContact O-SG 2.82Å; L377-C380 WeakPolarHBondContact O-CB 3.16Å; L377-C380 PolarHBondContact O-N 2.77Å; E378-C380 VanDerWaalsContact C-N 3.29Å; E378-C380 PolarHBondContact O-N 3.4Å; C380-A384 PolarHBondContact O-N 3.3Å; C380-F403 HydrophobicContact CB-CZ 4.45Å; C380-L407 WeakPolarHBondContact SG-CD1 3.37Å
381	A	53.4	Low	53.6	Low	58 Å²	58	67.3 Å²	67.3	48%	0.479	37%	0.367	S	S	.	.	H	α-helix	trans	-76.5	-48.5	177.5	0	0	0	0	0	111.4	L377 E378 G379 F383 A384 E385	L377-A381 PolarHBondContact O-N 2.99Å; E378-A381 CarbonylContact O-C 3.57Å; E378-A381 WeakPolarHBondContact O-CA 3.21Å; E378-A381 WeakPolarHBondContact O-CB 3.46Å; E378-A381 PolarHBondContact O-N 2.85Å; G379-A381 VanDerWaalsContact C-N 3.32Å; G379-A381 PolarHBondContact O-N 2.94Å; A381-F383 PolarHBondContact O-N 2.98Å; A381-A384 WeakPolarHBondContact O-CA 3.21Å; A381-A384 WeakPolarHBondContact O-CB 3.27Å; A381-A384 PolarHBondContact O-N 3.5Å; A381-E385 PolarHBondContact O-N 2.99Å
382	D	53.8	Low	52.4	Low	76 Å²	76	68.8 Å²	68.8	41%	0.406	37%	0.369	S	S	.	.	H	α-helix	trans	-51.2	-41.2	171.5	-102.6	58.5	0	0	0	112.3	E378 E385 K386	E378-D382 WeakPolarHBondContact O-CB 3.49Å; E378-D382 PolarHBondContact O-N 3.38Å; D382-E385 PolarHBondContact O-N 3.4Å; D382-K386 WeakPolarHBondContact O-CB 3.46Å; D382-K386 VanDerWaalsContact O-CD 3.32Å; D382-K386 WeakPolarHBondContact O-CD 3.26Å; D382-K386 WeakPolarHBondContact O-CG 3.45Å; D382-K386 PolarHBondContact O-N 3.27Å; D382-K386 IonicContact OD2-NZ 2.73Å; D382-K386 PolarHBondContact OD2-NZ 2.86Å
383	F	54.1	Low	51.1	Low	28 Å²	28	72.1 Å²	72.1	12%	0.123	39%	0.387	C	S	.	.	H	α-helix	trans	-72.3	-37	178.1	-179.9	-116.9	0	0	0	112.1	G379 A381 K386 L387 S399 C400 F403	G379-F383 WeakPolarHBondContact O-CB 3.21Å; G379-F383 PolarHBondContact O-N 2.84Å; A381-F383 PolarHBondContact O-N 2.98Å; F383-K386 PolarHBondContact O-N 3.03Å; F383-L387 HydrophobicContact CD1-CD1 4.07Å; F383-L387 HydrophobicContact CD2-CG 4.36Å; F383-L387 HydrophobicContact CE1-CD1 3.49Å; F383-L387 VanDerWaalsContact CE1-CD1 3.49Å; F383-L387 HydrophobicContact CE1-CG 4.18Å; F383-L387 HydrophobicContact CE2-CD1 4.11Å; F383-L387 HydrophobicContact CE2-CD2 4.13Å; F383-L387 HydrophobicContact CE2-CG 3.88Å; F383-L387 HydrophobicContact CZ-CD1 3.5Å; F383-L387 VanDerWaalsContact CZ-CD1 3.5Å; F383-L387 HydrophobicContact CZ-CD2 4.02Å; F383-L387 HydrophobicContact CZ-CG 3.77Å; F383-L387 WeakPolarHBondContact O-CB 3.22Å; F383-L387 WeakPolarHBondContact O-CG 3.23Å; F383-L387 PolarHBondContact O-N 3.37Å; F383-S399 WeakPolarHBondContact CE2-O 3.33Å; F383-C400 HydrophobicContact CE2-CB 4.12Å; F383-C400 HydrophobicContact CZ-CB 3.67Å; F383-F403 HydrophobicContact CB-CB 4.26Å; F383-F403 HydrophobicContact CB-CD1 4.19Å; F383-F403 HydrophobicContact CB-CD2 3.51Å; F383-F403 HydrophobicContact CB-CE1 4.47Å; F383-F403 HydrophobicContact CB-CE2 3.86Å; F383-F403 HydrophobicContact CB-CG 3.69Å; F383-F403 HydrophobicContact CB-CZ 4.32Å; F383-F403 HydrophobicContact CD1-CB 4.19Å; F383-F403 AromaticContact CD1-CD1 3.23Å; F383-F403 HydrophobicContact CD1-CD1 3.23Å; F383-F403 HydrophobicContact CD1-CD2 4.17Å; F383-F403 AromaticContact CD1-CE1 3.54Å; F383-F403 HydrophobicContact CD1-CE1 3.54Å; F383-F403 HydrophobicContact CD1-CE2 4.43Å; F383-F403 AromaticContact CD1-CG 3.58Å; F383-F403 HydrophobicContact CD1-CG 3.58Å; F383-F403 HydrophobicContact CD1-CZ 4.14Å; F383-F403 HydrophobicContact CD2-CB 3.47Å; F383-F403 VanDerWaalsContact CD2-CB 3.47Å; F383-F403 HydrophobicContact CD2-CD1 4.14Å; F383-F403 HydrophobicContact CD2-CD2 4.35Å; F383-F403 AromaticContact CD2-CG 3.72Å; F383-F403 HydrophobicContact CD2-CG 3.72Å; F383-F403 HydrophobicContact CE1-CB 4.46Å; F383-F403 AromaticContact CE1-CD1 3.53Å; F383-F403 HydrophobicContact CE1-CD1 3.53Å; F383-F403 HydrophobicContact CE1-CE1 4.04Å; F383-F403 HydrophobicContact CE1-CG 4.12Å; F383-F403 HydrophobicContact CE2-CB 3.81Å; F383-F403 HydrophobicContact CE2-CD1 4.4Å; F383-F403 HydrophobicContact CE2-CG 4.26Å; F383-F403 HydrophobicContact CG-CB 3.7Å; F383-F403 AromaticContact CG-CD1 3.58Å; F383-F403 HydrophobicContact CG-CD1 3.58Å; F383-F403 AromaticContact CG-CD2 3.76Å; F383-F403 HydrophobicContact CG-CD2 3.76Å; F383-F403 HydrophobicContact CG-CE1 4.14Å; F383-F403 HydrophobicContact CG-CE2 4.31Å; F383-F403 AromaticContact CG-CG 3.35Å; F383-F403 HydrophobicContact CG-CG 3.35Å; F383-F403 HydrophobicContact CG-CZ 4.47Å; F383-F403 HydrophobicContact CZ-CB 4.29Å; F383-F403 HydrophobicContact CZ-CD1 4.12Å; F383-F403 HydrophobicContact CZ-CG 4.45Å
384	A	51.2	Low	49.8	Very low	61 Å²	61	76.9 Å²	76.9	50%	0.504	42%	0.417	S	S	.	.	H	α-helix	trans	-62.9	-42.4	171.2	0	0	0	0	0	111.6	C380 A381 L387 E388	C380-A384 PolarHBondContact O-N 3.3Å; A381-A384 WeakPolarHBondContact O-CA 3.21Å; A381-A384 WeakPolarHBondContact O-CB 3.27Å; A381-A384 PolarHBondContact O-N 3.5Å; A384-L387 PolarHBondContact O-N 2.64Å; A384-E388 PolarHBondContact O-N 3.2Å
385	E	47.2	Very low	48.3	Very low	116 Å²	116	77.6 Å²	77.6	54%	0.542	42%	0.424	S	S	.	.	H	α-helix	trans	-67.7	-38.1	176	-173.7	177.4	169.8	0	0	112.4	A381 D382 E388 N389	A381-E385 PolarHBondContact O-N 2.99Å; D382-E385 PolarHBondContact O-N 3.4Å; E385-E388 WeakPolarHBondContact O-CB 3.44Å; E385-E388 PolarHBondContact O-N 3.14Å; E385-E388 VanDerWaalsContact O-N 3.14Å; E385-N389 PolarHBondContact O-N 2.86Å; E385-N389 PolarHBondContact O-ND2 2.77Å
386	K	50.9	Low	47.3	Very low	117 Å²	117	75.2 Å²	75.2	51%	0.509	41%	0.414	S	S	.	.	H	α-helix	trans	-66.9	-39.2	174.4	-75.6	159	-176.3	147.9	0	111.7	D382 F383 E388 N389 V390	D382-K386 WeakPolarHBondContact O-CB 3.46Å; D382-K386 VanDerWaalsContact O-CD 3.32Å; D382-K386 WeakPolarHBondContact O-CD 3.26Å; D382-K386 WeakPolarHBondContact O-CG 3.45Å; D382-K386 PolarHBondContact O-N 3.27Å; D382-K386 IonicContact OD2-NZ 2.73Å; D382-K386 PolarHBondContact OD2-NZ 2.86Å; F383-K386 PolarHBondContact O-N 3.03Å; K386-E388 VanDerWaalsContact C-N 3.25Å; K386-E388 PolarHBondContact O-N 2.66Å; K386-N389 PolarHBondContact O-N 3.21Å; K386-V390 WeakPolarHBondContact O-CG2 3.33Å; K386-V390 PolarHBondContact O-N 2.95Å
387	L	47.6	Very low	46.1	Very low	57 Å²	57	77.5 Å²	77.5	30%	0.298	43%	0.43	S	S	.	.	H	α-helix	trans	-65.8	-25	170.3	-74	178.3	0	0	0	113.3	F383 A384 N389 Q396	F383-L387 HydrophobicContact CD1-CD1 4.07Å; F383-L387 HydrophobicContact CD2-CG 4.36Å; F383-L387 HydrophobicContact CE1-CD1 3.49Å; F383-L387 VanDerWaalsContact CE1-CD1 3.49Å; F383-L387 HydrophobicContact CE1-CG 4.18Å; F383-L387 HydrophobicContact CE2-CD1 4.11Å; F383-L387 HydrophobicContact CE2-CD2 4.13Å; F383-L387 HydrophobicContact CE2-CG 3.88Å; F383-L387 HydrophobicContact CZ-CD1 3.5Å; F383-L387 VanDerWaalsContact CZ-CD1 3.5Å; F383-L387 HydrophobicContact CZ-CD2 4.02Å; F383-L387 HydrophobicContact CZ-CG 3.77Å; F383-L387 WeakPolarHBondContact O-CB 3.22Å; F383-L387 WeakPolarHBondContact O-CG 3.23Å; F383-L387 PolarHBondContact O-N 3.37Å; A384-L387 PolarHBondContact O-N 2.64Å; L387-N389 VanDerWaalsContact C-N 3.31Å; L387-Q396 HydrophobicContact CD2-CB 4.36Å; L387-Q396 HydrophobicContact CD2-CG 4.08Å
388	E	42.6	Very low	45.5	Very low	78 Å²	78	80.8 Å²	80.8	36%	0.364	45%	0.448	S	S	.	.	H	α-helix	trans	-67.4	-32.8	174.1	-154.3	-178.1	159.2	0	0	112.1	F151 A384 E385 K386	F151-E388 HydrophobicContact CB-CG 4.46Å; F151-E388 HydrophobicContact CD2-CB 4.48Å; F151-E388 HydrophobicContact CD2-CG 3.48Å; F151-E388 VanDerWaalsContact CD2-CG 3.48Å; F151-E388 HydrophobicContact CE2-CB 4.41Å; F151-E388 HydrophobicContact CE2-CG 3.85Å; F151-E388 HydrophobicContact CG-CG 4.11Å; A384-E388 PolarHBondContact O-N 3.2Å; E385-E388 WeakPolarHBondContact O-CB 3.44Å; E385-E388 PolarHBondContact O-N 3.14Å; E385-E388 VanDerWaalsContact O-N 3.14Å; K386-E388 VanDerWaalsContact C-N 3.25Å; K386-E388 PolarHBondContact O-N 2.66Å
389	N	41.3	Very low	45	Very low	118 Å²	118	77.8 Å²	77.8	63%	0.631	44%	0.438	S	S	*	.	H	α-helix	trans	-104	-15.2	-167.9	-74.6	-81.5	0	0	0	115.4	E385 K386 L387 P391	E385-N389 PolarHBondContact O-N 2.86Å; E385-N389 PolarHBondContact O-ND2 2.77Å; K386-N389 PolarHBondContact O-N 3.21Å; L387-N389 VanDerWaalsContact C-N 3.31Å; N389-P391 WeakPolarHBondContact O-CD 3.46Å
390	V	45.6	Very low	44.3	Very low	37 Å²	37	78 Å²	78	22%	0.224	44%	0.437	C	S	.	.			trans	-83.2	116.2	-179.6	169.4	0	0	0	0	111	K386 D392 E395 Q396	K386-V390 WeakPolarHBondContact O-CG2 3.33Å; K386-V390 PolarHBondContact O-N 2.95Å; V390-D392 WeakPolarHBondContact CG1-O 3.15Å; V390-E395 HydrophobicContact CG1-CB 3.67Å; V390-Q396 HydrophobicContact CB-CG 4.4Å; V390-Q396 HydrophobicContact CG1-CG 3.81Å; V390-Q396 PolarHBondContact O-NE2 2.87Å; V390-Q396 VanDerWaalsContact O-NE2 3.16Å
391	P	35.5	Very low	44	Very low	120 Å²	120	80.8 Å²	80.8	78%	0.779	45%	0.445	S	S	*	.			trans	-79.1	-21.1	-171.4	32.1	-36.3	0	0	0	114.4	N389	N389-P391 WeakPolarHBondContact O-CD 3.46Å
392	D	40.5	Very low	44	Very low	101 Å²	101	82.3 Å²	82.3	54%	0.54	45%	0.448	S	S	.	.			trans	-116.9	139.1	-171.7	-116.9	-47.1	0	0	0	113.5	V390 V394 E395	V390-D392 WeakPolarHBondContact CG1-O 3.15Å; D392-V394 PolarHBondContact O-N 3.35Å; D392-E395 PolarHBondContact O-N 3.21Å
393	I	37.7	Very low	44	Very low	115 Å²	115	80.2 Å²	80.2	59%	0.59	44%	0.436	S	S	*	.	S	Bend	trans	-71.2	-23.1	-170.8	-61.1	171.6	0	0	0	111.5	Q396	I393-Q396 WeakPolarHBondContact O-CB 3.24Å; I393-Q396 PolarHBondContact O-N 2.77Å
394	V	28.7	Very low	43.9	Very low	114 Å²	114	82.3 Å²	82.3	69%	0.691	45%	0.448	S	S	*	.	S	Bend	trans	-68.9	-42.7	179.4	-173.8	0	0	0	0	110.9	D392 Q396 S397	D392-V394 PolarHBondContact O-N 3.35Å; V394-Q396 PolarHBondContact O-N 3.21Å; V394-Q396 VanDerWaalsContact O-N 3.11Å; V394-S397 PolarHBondContact O-N 3.31Å; V394-S397 PolarHBondContact O-OG 2.87Å
395	E	32.4	Very low	44.1	Very low	116 Å²	116	83.5 Å²	83.5	54%	0.542	45%	0.445	S	S	.	.	H	α-helix	trans	-68.4	-11.6	176.9	-62.1	-178.6	151.2	0	0	112.8	V390 D392 S399	V390-E395 HydrophobicContact CG1-CB 3.67Å; D392-E395 PolarHBondContact O-N 3.21Å; E395-S399 WeakPolarHBondContact O-CB 3.31Å; E395-S399 PolarHBondContact O-OG 3.05Å
396	Q	41.9	Very low	44.5	Very low	56 Å²	56	80.6 Å²	80.6	26%	0.262	44%	0.436	S	S	.	.	H	α-helix	trans	-87.6	-2.9	177	-59.7	179.6	-0.5	0	0	114	K51 L387 V390 I393 V394 S399 C400	K51-Q396 PolarHBondContact NZ-O 3.03Å; L387-Q396 HydrophobicContact CD2-CB 4.36Å; L387-Q396 HydrophobicContact CD2-CG 4.08Å; V390-Q396 HydrophobicContact CB-CG 4.4Å; V390-Q396 HydrophobicContact CG1-CG 3.81Å; V390-Q396 PolarHBondContact O-NE2 2.87Å; V390-Q396 VanDerWaalsContact O-NE2 3.16Å; I393-Q396 WeakPolarHBondContact O-CB 3.24Å; I393-Q396 PolarHBondContact O-N 2.77Å; V394-Q396 PolarHBondContact O-N 3.21Å; V394-Q396 VanDerWaalsContact O-N 3.11Å; Q396-S399 WeakPolarHBondContact CA-OG 3.22Å; Q396-C400 WeakPolarHBondContact O-CB 3.29Å
397	S	34	Very low	44.7	Very low	53 Å²	53	76.7 Å²	76.7	37%	0.371	42%	0.42	S	S	.	.	H	α-helix	trans	-71.8	-63.3	163.3	49.8	0	0	0	0	109.8	V394 C400 E401	V394-S397 PolarHBondContact O-N 3.31Å; V394-S397 PolarHBondContact O-OG 2.87Å; S397-C400 WeakPolarHBondContact O-CB 3.45Å; S397-C400 PolarHBondContact O-N 2.89Å; S397-C400 VanDerWaalsContact O-N 3.13Å; S397-E401 PolarHBondContact O-N 3.44Å
398	D	44.2	Very low	45.2	Very low	110 Å²	110	75.9 Å²	75.9	59%	0.588	42%	0.416	S	S	*	.	H	α-helix	trans	-69.5	-43.8	-163.8	-54.9	2	0	0	0	110.9	C400 E401 V402	D398-C400 PolarHBondContact O-N 3.47Å; D398-E401 PolarHBondContact O-N 2.82Å; D398-V402 WeakPolarHBondContact O-CB 3.35Å; D398-V402 VanDerWaalsContact O-CG2 3.28Å; D398-V402 WeakPolarHBondContact O-CG2 3.47Å; D398-V402 PolarHBondContact O-N 3.36Å
399	S	49.7	Very low	46.2	Very low	38 Å²	38	75.9 Å²	75.9	27%	0.266	42%	0.418	S	S	.	.	H	α-helix	trans	-58.9	-29.6	175.7	54.4	0	0	0	0	113.4	F383 E395 Q396 F403	F383-S399 WeakPolarHBondContact CE2-O 3.33Å; E395-S399 WeakPolarHBondContact O-CB 3.31Å; E395-S399 PolarHBondContact O-OG 3.05Å; Q396-S399 WeakPolarHBondContact CA-OG 3.22Å; S399-F403 WeakPolarHBondContact O-CB 3.41Å; S399-F403 PolarHBondContact O-N 3.14Å
400	C	43.4	Very low	47.1	Very low	19 Å²	19	71.2 Å²	71.2	13%	0.128	39%	0.393	C	S	.	.	H	α-helix	trans	-81.2	-37.2	178.8	-171.6	0	0	0	0	112.4	K51 F383 Q396 S397 D398 F403 L404	K51-C400 WeakPolarHBondContact CE-SG 3.39Å; K51-C400 VanDerWaalsContact NZ-CB 3.3Å; F383-C400 HydrophobicContact CE2-CB 4.12Å; F383-C400 HydrophobicContact CZ-CB 3.67Å; Q396-C400 WeakPolarHBondContact O-CB 3.29Å; S397-C400 WeakPolarHBondContact O-CB 3.45Å; S397-C400 PolarHBondContact O-N 2.89Å; S397-C400 VanDerWaalsContact O-N 3.13Å; D398-C400 PolarHBondContact O-N 3.47Å; C400-F403 PolarHBondContact O-N 2.72Å; C400-L404 WeakPolarHBondContact O-CG 3.4Å; C400-L404 PolarHBondContact O-N 2.67Å
401	E	48.7	Very low	47.5	Very low	108 Å²	108	71.9 Å²	71.9	51%	0.505	40%	0.395	S	S	.	.	H	α-helix	trans	-67.5	-42.5	171.2	-180	168.8	171	0	0	111.3	S397 D398 F403 L404 N405	S397-E401 PolarHBondContact O-N 3.44Å; D398-E401 PolarHBondContact O-N 2.82Å; E401-F403 VanDerWaalsContact C-N 3.32Å; E401-F403 PolarHBondContact O-N 2.52Å; E401-L404 PolarHBondContact O-N 2.85Å; E401-N405 WeakPolarHBondContact CG-ND2 3.24Å; E401-N405 WeakPolarHBondContact O-CB 3.3Å; E401-N405 PolarHBondContact O-N 3.11Å; E401-N405 PolarHBondContact O-ND2 2.98Å; E401-N405 VanDerWaalsContact O-ND2 3.11Å
402	V	54.3	Low	48.7	Very low	91 Å²	91	74 Å²	74	55%	0.552	39%	0.387	S	S	*	.	H	α-helix	trans	-57.5	-44.7	171.9	168.8	0	0	0	0	110.9	D398 N405 T406	D398-V402 WeakPolarHBondContact O-CB 3.35Å; D398-V402 VanDerWaalsContact O-CG2 3.28Å; D398-V402 WeakPolarHBondContact O-CG2 3.47Å; D398-V402 PolarHBondContact O-N 3.36Å; V402-N405 PolarHBondContact O-N 2.97Å; V402-T406 WeakPolarHBondContact O-CB 3.39Å; V402-T406 PolarHBondContact O-N 2.84Å; V402-T406 PolarHBondContact O-OG1 2.8Å
403	F	53.6	Low	49.7	Very low	32 Å²	32	70.9 Å²	70.9	14%	0.14	37%	0.374	C	S	.	.	H	α-helix	trans	-63	-47.6	175.6	166.1	-110.3	0	0	0	112.9	G379 C380 F383 S399 C400 E401 N405 T406 L407	G379-F403 WeakPolarHBondContact O-CE2 3.34Å; C380-F403 HydrophobicContact CB-CZ 4.45Å; F383-F403 HydrophobicContact CB-CB 4.26Å; F383-F403 HydrophobicContact CB-CD1 4.19Å; F383-F403 HydrophobicContact CB-CD2 3.51Å; F383-F403 HydrophobicContact CB-CE1 4.47Å; F383-F403 HydrophobicContact CB-CE2 3.86Å; F383-F403 HydrophobicContact CB-CG 3.69Å; F383-F403 HydrophobicContact CB-CZ 4.32Å; F383-F403 HydrophobicContact CD1-CB 4.19Å; F383-F403 AromaticContact CD1-CD1 3.23Å; F383-F403 HydrophobicContact CD1-CD1 3.23Å; F383-F403 HydrophobicContact CD1-CD2 4.17Å; F383-F403 AromaticContact CD1-CE1 3.54Å; F383-F403 HydrophobicContact CD1-CE1 3.54Å; F383-F403 HydrophobicContact CD1-CE2 4.43Å; F383-F403 AromaticContact CD1-CG 3.58Å; F383-F403 HydrophobicContact CD1-CG 3.58Å; F383-F403 HydrophobicContact CD1-CZ 4.14Å; F383-F403 HydrophobicContact CD2-CB 3.47Å; F383-F403 VanDerWaalsContact CD2-CB 3.47Å; F383-F403 HydrophobicContact CD2-CD1 4.14Å; F383-F403 HydrophobicContact CD2-CD2 4.35Å; F383-F403 AromaticContact CD2-CG 3.72Å; F383-F403 HydrophobicContact CD2-CG 3.72Å; F383-F403 HydrophobicContact CE1-CB 4.46Å; F383-F403 AromaticContact CE1-CD1 3.53Å; F383-F403 HydrophobicContact CE1-CD1 3.53Å; F383-F403 HydrophobicContact CE1-CE1 4.04Å; F383-F403 HydrophobicContact CE1-CG 4.12Å; F383-F403 HydrophobicContact CE2-CB 3.81Å; F383-F403 HydrophobicContact CE2-CD1 4.4Å; F383-F403 HydrophobicContact CE2-CG 4.26Å; F383-F403 HydrophobicContact CG-CB 3.7Å; F383-F403 AromaticContact CG-CD1 3.58Å; F383-F403 HydrophobicContact CG-CD1 3.58Å; F383-F403 AromaticContact CG-CD2 3.76Å; F383-F403 HydrophobicContact CG-CD2 3.76Å; F383-F403 HydrophobicContact CG-CE1 4.14Å; F383-F403 HydrophobicContact CG-CE2 4.31Å; F383-F403 AromaticContact CG-CG 3.35Å; F383-F403 HydrophobicContact CG-CG 3.35Å; F383-F403 HydrophobicContact CG-CZ 4.47Å; F383-F403 HydrophobicContact CZ-CB 4.29Å; F383-F403 HydrophobicContact CZ-CD1 4.12Å; F383-F403 HydrophobicContact CZ-CG 4.45Å; S399-F403 WeakPolarHBondContact O-CB 3.41Å; S399-F403 PolarHBondContact O-N 3.14Å; C400-F403 PolarHBondContact O-N 2.72Å; E401-F403 VanDerWaalsContact C-N 3.32Å; E401-F403 PolarHBondContact O-N 2.52Å; F403-N405 VanDerWaalsContact C-N 3.33Å; F403-N405 PolarHBondContact O-N 3.39Å; F403-T406 WeakPolarHBondContact O-CB 3.46Å; F403-T406 PolarHBondContact O-N 2.86Å; F403-T406 VanDerWaalsContact O-N 3.14Å; F403-L407 HydrophobicContact CE2-CB 4.25Å; F403-L407 HydrophobicContact CE2-CD1 4.09Å; F403-L407 HydrophobicContact CZ-CB 4.37Å; F403-L407 HydrophobicContact CZ-CD1 3.73Å; F403-L407 PolarHBondContact O-N 3.3Å
404	L	51.8	Low	50.4	Low	71 Å²	71	65.7 Å²	65.7	37%	0.372	35%	0.347	S	S	.	.	H	α-helix	trans	-61.9	-41.6	178.5	-74.7	171.7	0	0	0	111.6	A47 C400 E401 T406 L407 L408	A47-L404 HydrophobicContact CB-CD1 4.25Å; C400-L404 WeakPolarHBondContact O-CG 3.4Å; C400-L404 PolarHBondContact O-N 2.67Å; E401-L404 PolarHBondContact O-N 2.85Å; L404-T406 VanDerWaalsContact C-N 3.35Å; L404-L407 PolarHBondContact O-N 2.76Å; L404-L408 WeakPolarHBondContact O-CB 3.49Å; L404-L408 VanDerWaalsContact O-CG 3.28Å; L404-L408 WeakPolarHBondContact O-CG 2.94Å; L404-L408 PolarHBondContact O-N 2.71Å
405	N	54.5	Low	51.8	Low	86 Å²	86	64.6 Å²	64.6	46%	0.46	34%	0.337	S	S	.	.	H	α-helix	trans	-64.6	-38.1	174.1	-77.9	-45.8	0	0	0	112	E401 V402 F403 N409	E401-N405 WeakPolarHBondContact CG-ND2 3.24Å; E401-N405 WeakPolarHBondContact O-CB 3.3Å; E401-N405 PolarHBondContact O-N 3.11Å; E401-N405 PolarHBondContact O-ND2 2.98Å; E401-N405 VanDerWaalsContact O-ND2 3.11Å; V402-N405 PolarHBondContact O-N 2.97Å; F403-N405 VanDerWaalsContact C-N 3.33Å; F403-N405 PolarHBondContact O-N 3.39Å; N405-N409 VanDerWaalsContact O-CB 3.27Å; N405-N409 WeakPolarHBondContact O-CB 3.44Å; N405-N409 PolarHBondContact O-N 2.79Å
406	T	56.2	Low	53.1	Low	56 Å²	56	61.2 Å²	61.2	34%	0.344	33%	0.328	S	S	.	.	H	α-helix	trans	-63	-51.9	173.5	-56.9	0	0	0	0	110.8	V402 F403 L404 L408 N409 E410	V402-T406 WeakPolarHBondContact O-CB 3.39Å; V402-T406 PolarHBondContact O-N 2.84Å; V402-T406 PolarHBondContact O-OG1 2.8Å; F403-T406 WeakPolarHBondContact O-CB 3.46Å; F403-T406 PolarHBondContact O-N 2.86Å; F403-T406 VanDerWaalsContact O-N 3.14Å; L404-T406 VanDerWaalsContact C-N 3.35Å; T406-L408 VanDerWaalsContact C-N 3.34Å; T406-L408 PolarHBondContact O-N 3.03Å; T406-N409 WeakPolarHBondContact O-CA 3.48Å; T406-N409 WeakPolarHBondContact O-CB 3.27Å; T406-N409 PolarHBondContact O-N 2.89Å; T406-E410 HydrophobicContact CG2-CG 4.41Å; T406-E410 WeakPolarHBondContact O-CG 3.05Å; T406-E410 PolarHBondContact O-N 3.13Å
407	L	54.4	Low	53.9	Low	34 Å²	34	58.9 Å²	58.9	18%	0.178	32%	0.319	C	S	.	.	H	α-helix	trans	-62.7	-38.7	-178.9	-176.9	138.3	0	0	0	112.3	C380 F403 L404 E410 L411	C380-L407 WeakPolarHBondContact SG-CD1 3.37Å; F403-L407 HydrophobicContact CE2-CB 4.25Å; F403-L407 HydrophobicContact CE2-CD1 4.09Å; F403-L407 HydrophobicContact CZ-CB 4.37Å; F403-L407 HydrophobicContact CZ-CD1 3.73Å; F403-L407 PolarHBondContact O-N 3.3Å; L404-L407 PolarHBondContact O-N 2.76Å; L407-E410 PolarHBondContact O-N 2.93Å; L407-L411 HydrophobicContact CD2-CD1 3.69Å; L407-L411 HydrophobicContact CG-CD1 4.42Å; L407-L411 WeakPolarHBondContact O-CB 3.27Å; L407-L411 VanDerWaalsContact O-CG 3.27Å; L407-L411 WeakPolarHBondContact O-CG 3.47Å; L407-L411 PolarHBondContact O-N 2.95Å
408	L	57.8	Low	54.8	Low	41 Å²	41	59.1 Å²	59.1	22%	0.215	32%	0.315	C	S	.	.	H	α-helix	trans	-67.8	-35.9	172.5	-71.7	172.3	0	0	0	112.6	F43 L404 T406 R412	F43-L408 HydrophobicContact CE1-CD1 4.35Å; L404-L408 WeakPolarHBondContact O-CB 3.49Å; L404-L408 VanDerWaalsContact O-CG 3.28Å; L404-L408 WeakPolarHBondContact O-CG 2.94Å; L404-L408 PolarHBondContact O-N 2.71Å; T406-L408 VanDerWaalsContact C-N 3.34Å; T406-L408 PolarHBondContact O-N 3.03Å; L408-R412 WeakPolarHBondContact O-CD 3.26Å; L408-R412 WeakPolarHBondContact O-CG 3.18Å; L408-R412 PolarHBondContact O-N 2.92Å; L408-R412 VanDerWaalsContact O-N 3.08Å
409	N	64.7	Low	55.6	Low	77 Å²	77	58.7 Å²	58.7	41%	0.412	31%	0.31	S	S	.	.	H	α-helix	trans	-63.1	-48.1	173.1	-174.4	76.5	0	0	0	111.2	N405 T406 L411 R412 C413	N405-N409 VanDerWaalsContact O-CB 3.27Å; N405-N409 WeakPolarHBondContact O-CB 3.44Å; N405-N409 PolarHBondContact O-N 2.79Å; T406-N409 WeakPolarHBondContact O-CA 3.48Å; T406-N409 WeakPolarHBondContact O-CB 3.27Å; T406-N409 PolarHBondContact O-N 2.89Å; N409-L411 PolarHBondContact O-N 3.42Å; N409-R412 CarbonylContact O-C 3.44Å; N409-R412 WeakPolarHBondContact O-CA 3.26Å; N409-R412 WeakPolarHBondContact O-CB 3.22Å; N409-R412 PolarHBondContact O-N 3.3Å; N409-C413 PolarHBondContact O-N 2.73Å; N409-C413 PolarHBondContact O-SG 3.49Å
410	E	60.6	Low	56	Low	20 Å²	20	61 Å²	61	9%	0.093	32%	0.319	C	S	.	.	H	α-helix	trans	-65.6	-37.9	-179.4	-65.6	-53	115.1	0	0	112.8	H372 F375 A376 T406 L407 R412 C413 A414	H372-E410 IonicContact CE1-OE2 3.92Å; H372-E410 IonicContact CG-OE2 2.66Å; H372-E410 IonicContact ND1-OE2 3.87Å; H372-E410 PolarHBondContact ND1-OE2 2.84Å; F375-E410 HydrophobicContact CD1-CG 3.72Å; F375-E410 WeakPolarHBondContact CD1-OE2 3.35Å; F375-E410 HydrophobicContact CE1-CG 4.29Å; A376-E410 HydrophobicContact CB-CB 4.07Å; T406-E410 HydrophobicContact CG2-CG 4.41Å; T406-E410 WeakPolarHBondContact O-CG 3.05Å; T406-E410 PolarHBondContact O-N 3.13Å; L407-E410 PolarHBondContact O-N 2.93Å; E410-R412 VanDerWaalsContact C-N 3.32Å; E410-R412 PolarHBondContact O-N 2.91Å; E410-C413 PolarHBondContact O-N 3.07Å; E410-A414 WeakPolarHBondContact O-CB 3.31Å; E410-A414 PolarHBondContact O-N 3.02Å
411	L	53.6	Low	56.6	Low	52 Å²	52	60 Å²	60	27%	0.272	31%	0.313	S	S	.	.	H	α-helix	trans	-62.8	-38.7	170.9	-70.7	171.6	0	0	0	111.9	L336 L373 L407 N409 A414 I415	L336-L411 HydrophobicContact CD2-CD2 3.93Å; L373-L411 HydrophobicContact CD2-CD2 3.89Å; L407-L411 HydrophobicContact CD2-CD1 3.69Å; L407-L411 HydrophobicContact CG-CD1 4.42Å; L407-L411 WeakPolarHBondContact O-CB 3.27Å; L407-L411 VanDerWaalsContact O-CG 3.27Å; L407-L411 WeakPolarHBondContact O-CG 3.47Å; L407-L411 PolarHBondContact O-N 2.95Å; N409-L411 PolarHBondContact O-N 3.42Å; L411-A414 PolarHBondContact O-N 3.09Å; L411-I415 WeakPolarHBondContact O-CD1 3.36Å; L411-I415 VanDerWaalsContact O-CG1 3.26Å; L411-I415 WeakPolarHBondContact O-CG1 3.3Å; L411-I415 PolarHBondContact O-N 3.07Å
412	R	60.6	Low	56.8	Low	163 Å²	163	56.7 Å²	56.7	62%	0.615	30%	0.299	S	S	*	.	H	α-helix	trans	-66.3	-41.5	173.5	-71.5	164.3	179.5	161.3	0.3	112	L408 N409 E410 I415 A416	L408-R412 WeakPolarHBondContact O-CD 3.26Å; L408-R412 WeakPolarHBondContact O-CG 3.18Å; L408-R412 PolarHBondContact O-N 2.92Å; L408-R412 VanDerWaalsContact O-N 3.08Å; N409-R412 CarbonylContact O-C 3.44Å; N409-R412 WeakPolarHBondContact O-CA 3.26Å; N409-R412 WeakPolarHBondContact O-CB 3.22Å; N409-R412 PolarHBondContact O-N 3.3Å; E410-R412 VanDerWaalsContact C-N 3.32Å; E410-R412 PolarHBondContact O-N 2.91Å; R412-I415 PolarHBondContact O-N 3.17Å; R412-A416 WeakPolarHBondContact O-CB 3.5Å; R412-A416 PolarHBondContact O-N 3.32Å
413	C	61.8	Low	56.9	Low	37 Å²	37	54.2 Å²	54.2	25%	0.25	29%	0.289	C	S	.	.	H	α-helix	trans	-67.4	-35	176.3	-65.8	0	0	0	0	112.7	H372 N409 E410 S417	H372-C413 HydrophobicContact CB-CB 4.48Å; H372-C413 VanDerWaalsContact CE1-CB 3.46Å; H372-C413 WeakPolarHBondContact CE1-CB 3.43Å; H372-C413 WeakPolarHBondContact ND1-CB 3.31Å; N409-C413 PolarHBondContact O-N 2.73Å; N409-C413 PolarHBondContact O-SG 3.49Å; E410-C413 PolarHBondContact O-N 3.07Å; C413-S417 WeakPolarHBondContact O-CB 3.4Å; C413-S417 PolarHBondContact O-N 2.85Å; C413-S417 PolarHBondContact O-OG 3.37Å
414	A	52.4	Low	56.9	Low	5 Å²	5	55 Å²	55	4%	0.041	29%	0.294	C	S	.	.	H	α-helix	trans	-64	-43.2	170.7	0	0	0	0	0	111.7	H372 L373 E410 L411 L418	H372-A414 HydrophobicContact CB-CB 3.78Å; L373-A414 HydrophobicContact CD2-CB 3.9Å; L373-A414 HydrophobicContact CG-CB 4.12Å; E410-A414 WeakPolarHBondContact O-CB 3.31Å; E410-A414 PolarHBondContact O-N 3.02Å; L411-A414 PolarHBondContact O-N 3.09Å; A414-L418 WeakPolarHBondContact O-CG 3.05Å; A414-L418 PolarHBondContact O-N 3.4Å
415	I	57.2	Low	56.9	Low	92 Å²	92	54.2 Å²	54.2	47%	0.472	29%	0.289	S	S	.	.	H	α-helix	trans	-63.4	-51.3	175.1	-69.9	163.3	0	0	0	110.5	L411 R412 S417 L418 E419	L411-I415 WeakPolarHBondContact O-CD1 3.36Å; L411-I415 VanDerWaalsContact O-CG1 3.26Å; L411-I415 WeakPolarHBondContact O-CG1 3.3Å; L411-I415 PolarHBondContact O-N 3.07Å; R412-I415 PolarHBondContact O-N 3.17Å; I415-S417 VanDerWaalsContact C-N 3.31Å; I415-S417 PolarHBondContact O-N 3.35Å; I415-L418 CarbonylContact O-C 3.55Å; I415-L418 WeakPolarHBondContact O-CA 3.21Å; I415-L418 WeakPolarHBondContact O-CB 3.46Å; I415-L418 PolarHBondContact O-N 2.94Å; I415-E419 HydrophobicContact CG2-CG 4.29Å; I415-E419 WeakPolarHBondContact O-CG 3.34Å; I415-E419 PolarHBondContact O-N 3Å
416	A	59.3	Low	56.8	Low	44 Å²	44	55.5 Å²	55.5	36%	0.364	29%	0.29	S	S	.	.	H	α-helix	trans	-57	-42.9	178.8	0	0	0	0	0	112.3	R412 L418 E419 D420	R412-A416 WeakPolarHBondContact O-CB 3.5Å; R412-A416 PolarHBondContact O-N 3.32Å; A416-L418 VanDerWaalsContact C-N 3.25Å; A416-L418 PolarHBondContact O-N 3.39Å; A416-E419 PolarHBondContact O-N 3.33Å; A416-E419 VanDerWaalsContact O-N 3.08Å; A416-D420 PolarHBondContact O-N 2.97Å
417	S	58.5	Low	56.4	Low	8 Å²	8	59.4 Å²	59.4	6%	0.056	30%	0.304	C	S	.	.	H	α-helix	trans	-57.2	-36.9	173.7	-65.4	0	0	0	0	112.7	F365 S368 C413 I415 A421	F365-S417 WeakPolarHBondContact CB-O 3.42Å; F365-S417 WeakPolarHBondContact CD1-O 3.37Å; S368-S417 PolarHBondContact OG-OG 2.83Å; C413-S417 WeakPolarHBondContact O-CB 3.4Å; C413-S417 PolarHBondContact O-N 2.85Å; C413-S417 PolarHBondContact O-OG 3.37Å; I415-S417 VanDerWaalsContact C-N 3.31Å; I415-S417 PolarHBondContact O-N 3.35Å; S417-A421 PolarHBondContact O-N 2.87Å
418	L	54.2	Low	55.9	Low	57 Å²	57	58.7 Å²	58.7	30%	0.298	30%	0.303	S	S	.	.	H	α-helix	trans	-76.9	-33.1	175.8	-65.1	170	0	0	0	112.2	L343 F366 A369 A414 I415 A416 V422	L343-L418 HydrophobicContact CD2-CD2 3.82Å; F366-L418 HydrophobicContact CD1-CD2 4.32Å; F366-L418 HydrophobicContact CE1-CD2 4.08Å; F366-L418 HydrophobicContact CZ-CD2 4.38Å; A369-L418 HydrophobicContact CB-CD1 4.37Å; A369-L418 HydrophobicContact CB-CD2 3.75Å; A369-L418 HydrophobicContact CB-CG 3.73Å; A414-L418 WeakPolarHBondContact O-CG 3.05Å; A414-L418 PolarHBondContact O-N 3.4Å; I415-L418 CarbonylContact O-C 3.55Å; I415-L418 WeakPolarHBondContact O-CA 3.21Å; I415-L418 WeakPolarHBondContact O-CB 3.46Å; I415-L418 PolarHBondContact O-N 2.94Å; A416-L418 VanDerWaalsContact C-N 3.25Å; A416-L418 PolarHBondContact O-N 3.39Å; L418-V422 VanDerWaalsContact O-CG2 3.29Å; L418-V422 WeakPolarHBondContact O-CG2 3.34Å; L418-V422 PolarHBondContact O-N 3.25Å; L418-V422 VanDerWaalsContact O-N 3.15Å
419	E	59.7	Low	55.1	Low	102 Å²	102	61.3 Å²	61.3	48%	0.477	32%	0.32	S	S	.	.	H	α-helix	trans	-66.7	-40.9	174.8	-66.1	-161.6	119.9	0	0	112	I415 A416 V422 A423	I415-E419 HydrophobicContact CG2-CG 4.29Å; I415-E419 WeakPolarHBondContact O-CG 3.34Å; I415-E419 PolarHBondContact O-N 3Å; A416-E419 PolarHBondContact O-N 3.33Å; A416-E419 VanDerWaalsContact O-N 3.08Å; E419-V422 CarbonylContact O-C 3.56Å; E419-V422 PolarHBondContact O-N 2.7Å; E419-A423 WeakPolarHBondContact O-CB 3.31Å; E419-A423 PolarHBondContact O-N 2.71Å
420	D	59.7	Low	53.8	Low	85 Å²	85	61.3 Å²	61.3	46%	0.455	32%	0.323	S	S	.	.	H	α-helix	trans	-64	-43.5	174.2	-80.7	-24.8	0	0	0	112.5	F365 A416 V422 A423 I424	F365-D420 HydrophobicContact CD1-CB 3.63Å; F365-D420 HydrophobicContact CE1-CB 3.37Å; F365-D420 HydrophobicContact CG-CB 4.39Å; F365-D420 HydrophobicContact CZ-CB 3.97Å; A416-D420 PolarHBondContact O-N 2.97Å; D420-V422 PolarHBondContact O-N 3.26Å; D420-A423 WeakPolarHBondContact O-CB 3.23Å; D420-A423 PolarHBondContact O-N 3.45Å; D420-A423 VanDerWaalsContact O-N 3.12Å; D420-I424 WeakPolarHBondContact O-CG1 3.43Å; D420-I424 PolarHBondContact O-N 2.77Å
421	A	54.4	Low	52.8	Low	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-53.2	-46	172.3	0	0	0	0	0	110.9	F362 F365 F366 S417 I424 Q425	F362-A421 HydrophobicContact CD1-CB 4.33Å; F362-A421 WeakPolarHBondContact CE1-O 3.48Å; F365-A421 HydrophobicContact CB-CB 3.72Å; F365-A421 HydrophobicContact CG-CB 4.38Å; F366-A421 HydrophobicContact CD2-CB 4.43Å; F366-A421 HydrophobicContact CE2-CB 4.18Å; S417-A421 PolarHBondContact O-N 2.87Å; A421-I424 PolarHBondContact O-N 3.28Å; A421-Q425 PolarHBondContact O-N 2.78Å
422	V	54.4	Low	52.2	Low	37 Å²	37	68.3 Å²	68.3	22%	0.224	36%	0.355	C	S	.	.	H	α-helix	trans	-76.9	-24.4	-178.8	179.3	0	0	0	0	112.4	L418 E419 D420 Q425 K426	L418-V422 VanDerWaalsContact O-CG2 3.29Å; L418-V422 WeakPolarHBondContact O-CG2 3.34Å; L418-V422 PolarHBondContact O-N 3.25Å; L418-V422 VanDerWaalsContact O-N 3.15Å; E419-V422 CarbonylContact O-C 3.56Å; E419-V422 PolarHBondContact O-N 2.7Å; D420-V422 PolarHBondContact O-N 3.26Å; V422-Q425 WeakPolarHBondContact O-CB 3.43Å; V422-Q425 PolarHBondContact O-N 2.94Å; V422-K426 WeakPolarHBondContact O-CG 3.27Å; V422-K426 PolarHBondContact O-N 3.49Å
423	A	55.2	Low	51.2	Low	40 Å²	40	63.4 Å²	63.4	33%	0.331	35%	0.349	S	S	.	.	H	α-helix	trans	-67.3	-42.5	169.5	0	0	0	0	0	111.3	E419 D420 Q425 K426 H427	E419-A423 WeakPolarHBondContact O-CB 3.31Å; E419-A423 PolarHBondContact O-N 2.71Å; D420-A423 WeakPolarHBondContact O-CB 3.23Å; D420-A423 PolarHBondContact O-N 3.45Å; D420-A423 VanDerWaalsContact O-N 3.12Å; A423-Q425 VanDerWaalsContact C-N 3.31Å; A423-Q425 PolarHBondContact O-N 3.45Å; A423-K426 PolarHBondContact O-N 2.73Å; A423-H427 PolarHBondContact O-N 3.36Å
424	I	53.7	Low	50.2	Low	47 Å²	47	66.9 Å²	66.9	24%	0.241	37%	0.365	C	S	.	.	H	α-helix	trans	-63	-38.7	172.4	-68.6	171.6	0	0	0	110.6	L361 F362 F365 D420 A421 H427 A428	L361-I424 HydrophobicContact CB-CD1 4.37Å; F362-I424 HydrophobicContact CE2-CG2 4.19Å; F362-I424 HydrophobicContact CZ-CG2 4.26Å; F365-I424 HydrophobicContact CD2-CD1 3.81Å; F365-I424 HydrophobicContact CE2-CD1 3.3Å; F365-I424 HydrophobicContact CZ-CD1 4.11Å; D420-I424 WeakPolarHBondContact O-CG1 3.43Å; D420-I424 PolarHBondContact O-N 2.77Å; A421-I424 PolarHBondContact O-N 3.28Å; I424-H427 PolarHBondContact O-N 2.78Å; I424-A428 WeakPolarHBondContact O-CB 3.4Å; I424-A428 PolarHBondContact O-N 3.3Å
425	Q	52.4	Low	49.6	Very low	56 Å²	56	71.8 Å²	71.8	26%	0.262	39%	0.391	S	S	.	.	H	α-helix	trans	-61.2	-47	172.8	-154.6	-174.1	-4.7	0	0	112.5	F362 A421 V422 A423 H427 A428 V429 E461	F362-Q425 HydrophobicContact CE1-CB 3.85Å; F362-Q425 HydrophobicContact CE1-CG 4.2Å; F362-Q425 HydrophobicContact CZ-CB 3.59Å; F362-Q425 HydrophobicContact CZ-CG 3.83Å; A421-Q425 PolarHBondContact O-N 2.78Å; V422-Q425 WeakPolarHBondContact O-CB 3.43Å; V422-Q425 PolarHBondContact O-N 2.94Å; A423-Q425 VanDerWaalsContact C-N 3.31Å; A423-Q425 PolarHBondContact O-N 3.45Å; Q425-H427 PolarHBondContact O-N 3.38Å; Q425-A428 PolarHBondContact O-N 3.43Å; Q425-V429 WeakPolarHBondContact O-CG2 3.16Å; Q425-V429 PolarHBondContact O-N 3.49Å; Q425-E461 PolarHBondContact NE2-OE1 2.81Å
426	K	51.1	Low	48.9	Very low	113 Å²	113	75.9 Å²	75.9	49%	0.491	41%	0.405	S	S	.	.	H	α-helix	trans	-57.9	-47.6	174.5	-75.5	174	175.1	-176	0	111	V422 A423 A428 V429 V430	V422-K426 WeakPolarHBondContact O-CG 3.27Å; V422-K426 PolarHBondContact O-N 3.49Å; A423-K426 PolarHBondContact O-N 2.73Å; K426-A428 PolarHBondContact O-N 3.49Å; K426-V429 PolarHBondContact O-N 2.93Å; K426-V430 WeakPolarHBondContact O-CG2 3.48Å; K426-V430 PolarHBondContact O-N 3.01Å
427	H	48.4	Very low	47.8	Very low	138 Å²	138	76.6 Å²	76.6	64%	0.639	42%	0.416	S	S	*	.	H	α-helix	trans	-65.4	-37	178	-90	-75.1	0	0	0	113.6	A423 I424 Q425 K431	A423-H427 PolarHBondContact O-N 3.36Å; I424-H427 PolarHBondContact O-N 2.78Å; Q425-H427 PolarHBondContact O-N 3.38Å; H427-K431 PolarHBondContact O-N 3.47Å
428	A	44.5	Very low	46.6	Very low	19 Å²	19	83.3 Å²	83.3	16%	0.157	45%	0.452	C	S	.	.	H	α-helix	trans	-64.4	-45.1	175.3	0	0	0	0	0	111.7	I424 Q425 K426 K431 I432	I424-A428 WeakPolarHBondContact O-CB 3.4Å; I424-A428 PolarHBondContact O-N 3.3Å; Q425-A428 PolarHBondContact O-N 3.43Å; K426-A428 PolarHBondContact O-N 3.49Å; A428-K431 PolarHBondContact O-N 2.84Å; A428-I432 WeakPolarHBondContact O-CB 3.43Å; A428-I432 WeakPolarHBondContact O-CD1 3.36Å; A428-I432 VanDerWaalsContact O-CG1 3.25Å; A428-I432 WeakPolarHBondContact O-CG1 3.25Å; A428-I432 PolarHBondContact O-N 2.87Å
429	V	39.9	Very low	45.5	Very low	95 Å²	95	89 Å²	89	58%	0.576	48%	0.476	S	S	*	.	H	α-helix	trans	-65.5	-40.5	177.1	173.1	0	0	0	0	111.6	Q425 K426 I432 A433	Q425-V429 WeakPolarHBondContact O-CG2 3.16Å; Q425-V429 PolarHBondContact O-N 3.49Å; K426-V429 PolarHBondContact O-N 2.93Å; V429-I432 PolarHBondContact O-N 3.5Å; V429-A433 WeakPolarHBondContact O-CB 3.49Å; V429-A433 PolarHBondContact O-N 2.73Å
430	V	39.1	Very low	44.3	Very low	77 Å²	77	90.6 Å²	90.6	47%	0.467	49%	0.492	S	S	.	.	H	α-helix	trans	-66.8	-41.5	176.8	171.4	0	0	0	0	111.7	K426 A433 N434	K426-V430 WeakPolarHBondContact O-CG2 3.48Å; K426-V430 PolarHBondContact O-N 3.01Å; V430-A433 PolarHBondContact O-N 2.98Å; V430-N434 PolarHBondContact O-N 2.78Å; V430-N434 PolarHBondContact O-OD1 3.39Å
431	K	38.3	Very low	42.9	Very low	121 Å²	121	91.9 Å²	91.9	53%	0.526	51%	0.507	S	S	.	.	H	α-helix	trans	-63.1	-48.2	173	-81.5	-158.6	170.2	-164.9	0	112	H427 A428 A433 N434 D435	H427-K431 PolarHBondContact O-N 3.47Å; A428-K431 PolarHBondContact O-N 2.84Å; K431-A433 PolarHBondContact O-N 2.67Å; K431-A433 VanDerWaalsContact O-N 3.14Å; K431-N434 PolarHBondContact O-N 2.87Å; K431-D435 VanDerWaalsContact O-CB 3.27Å; K431-D435 WeakPolarHBondContact O-CB 3.16Å; K431-D435 PolarHBondContact O-N 3.02Å
432	I	41.5	Very low	41.9	Very low	99 Å²	99	99.7 Å²	99.7	51%	0.508	55%	0.548	S	S	.	.	H	α-helix	trans	-64.3	-21.8	179.2	-65.7	164.8	0	0	0	112.8	A428 V429	A428-I432 WeakPolarHBondContact O-CB 3.43Å; A428-I432 WeakPolarHBondContact O-CD1 3.36Å; A428-I432 VanDerWaalsContact O-CG1 3.25Å; A428-I432 WeakPolarHBondContact O-CG1 3.25Å; A428-I432 PolarHBondContact O-N 2.87Å; V429-I432 PolarHBondContact O-N 3.5Å
433	A	38.5	Very low	40.9	Very low	59 Å²	59	103.2 Å²	103.2	49%	0.488	57%	0.571	S	S	.	*	H	α-helix	trans	-80.7	-33.9	171.6	0	0	0	0	0	113.5	V429 V430 K431	V429-A433 WeakPolarHBondContact O-CB 3.49Å; V429-A433 PolarHBondContact O-N 2.73Å; V430-A433 PolarHBondContact O-N 2.98Å; K431-A433 PolarHBondContact O-N 2.67Å; K431-A433 VanDerWaalsContact O-N 3.14Å
434	N	41.2	Very low	39.7	Very low	110 Å²	110	111.3 Å²	111.3	59%	0.588	60%	0.599	S	S	*	*	H	α-helix	trans	-89	-36	-178.4	-69.6	8.1	0	0	0	112.8	V430 K431 K436 G437	V430-N434 PolarHBondContact O-N 2.78Å; V430-N434 PolarHBondContact O-OD1 3.39Å; K431-N434 PolarHBondContact O-N 2.87Å; N434-K436 PolarHBondContact O-N 2.91Å; N434-G437 PolarHBondContact O-N 3.21Å
435	D	40.1	Very low	38.8	Very low	109 Å²	109	115.1 Å²	115.1	58%	0.583	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	12.1	178	-61.6	-22.9	0	0	0	113	K431	K431-D435 VanDerWaalsContact O-CB 3.27Å; K431-D435 WeakPolarHBondContact O-CB 3.16Å; K431-D435 PolarHBondContact O-N 3.02Å
436	K	43.1	Very low	37.8	Very low	178 Å²	178	117.7 Å²	117.7	77%	0.774	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.6	3.4	168.7	-69.5	-172.7	176.9	-174.5	0	113.3	N434	N434-K436 PolarHBondContact O-N 2.91Å
437	G	36	Very low	37.1	Very low	58 Å²	58	117.7 Å²	117.7	60%	0.598	67%	0.666	S	S	*	*	S	Bend	trans	-85.1	-32	177.1	0	0	0	0	0	114.9	N434	N434-G437 PolarHBondContact O-N 3.21Å
438	D	33.2	Very low	36.2	Very low	150 Å²	150	116.5 Å²	116.5	80%	0.802	67%	0.673	S	S	*	*	S	Bend	trans	-111.9	144.4	-168.5	-75.1	-60.1	0	0	0	114.3
439	H	31.9	Very low	35.4	Very low	176 Å²	176	126.5 Å²	126.5	82%	0.815	71%	0.707	S	S	*	*			trans	-83.5	126.6	-169.3	-66.2	-86.4	0	0	0	113.9
440	V	33.6	Very low	34.8	Very low	135 Å²	135	127.8 Å²	127.8	82%	0.818	72%	0.72	S	S	*	*			trans	-130.5	108.4	157.3	-177.4	0	0	0	0	109.9
441	C	30.4	Very low	34.4	Very low	113 Å²	113	132 Å²	132	76%	0.764	73%	0.734	S	S	*	*			trans	-97.8	110.9	177.7	-65.8	0	0	0	0	111.5
442	L	33.9	Very low	34.1	Very low	164 Å²	164	133.5 Å²	133.5	86%	0.859	75%	0.746	S	S	*	*			trans	-131.7	149.9	158.8	-78.6	178.1	0	0	0	111
443	P	32.3	Very low	33.6	Very low	110 Å²	110	135 Å²	135	71%	0.714	76%	0.761	S	S	*	*			trans	-99.6	138.2	-148.1	35.7	-35.3	0	0	0	116.2
444	K	30.5	Very low	33.4	Very low	210 Å²	210	140.5 Å²	140.5	91%	0.913	78%	0.776	S	S	*	*			trans	29.3	95.1	141.7	-63.9	-179.5	178.5	177.2	0	117.8
445	S	34.3	Very low	33	Very low	127 Å²	127	139.9 Å²	139.9	89%	0.888	78%	0.777	S	S	*	*			trans	-127.3	136.8	136.2	59.9	0	0	0	0	109.5
446	S	31.5	Very low	32.8	Very low	111 Å²	111	138 Å²	138	78%	0.776	78%	0.776	S	S	*	*			trans	-116.4	172.7	-166.7	53.4	0	0	0	0	111.3
447	P	36.9	Very low	32.6	Very low	113 Å²	113	132.5 Å²	132.5	73%	0.734	76%	0.76	S	S	*	*			cis	-133.4	167.9	-30.2	33.7	-17.5	0	0	0	113.1
448	S	28.7	Very low	33.1	Very low	113 Å²	113	131.9 Å²	131.9	79%	0.79	75%	0.746	S	S	*	*			trans	177.5	149.8	132	42.4	0	0	0	0	114.6
449	R	28.9	Very low	33.8	Very low	228 Å²	228	127 Å²	127	86%	0.86	73%	0.727	S	S	*	*			trans	37.7	88.3	158.3	-70.8	-177.1	169.7	173.6	-3.5	118.2	H451	R449-H451 PolarHBondContact O-N 2.87Å
450	S	27.6	Very low	34.2	Very low	122 Å²	122	122.7 Å²	122.7	85%	0.853	71%	0.71	S	S	*	*			trans	-69.3	76.6	153.1	56.2	0	0	0	0	111.4
451	H	29.5	Very low	34.6	Very low	165 Å²	165	118.6 Å²	118.6	76%	0.764	68%	0.682	S	S	*	*			trans	-78.6	126	152	-108.8	-81.8	0	0	0	107.5	R449 T453	R449-H451 PolarHBondContact O-N 2.87Å; H451-T453 PolarHBondContact O-N 3.4Å
452	I	32.4	Very low	35.4	Very low	153 Å²	153	118.5 Å²	118.5	79%	0.785	67%	0.666	S	S	*	*			trans	-67.3	107.4	176.1	-62.9	169.8	0	0	0	107.1	E454	I452-E454 PolarHBondContact O-N 3.18Å
453	T	31.8	Very low	36.2	Very low	132 Å²	132	115.1 Å²	115.1	81%	0.81	65%	0.647	S	S	*	*			trans	-73.5	92.1	170.6	32.6	0	0	0	0	108.9	H451 T455	H451-T453 PolarHBondContact O-N 3.4Å; T453-T455 PolarHBondContact O-N 2.74Å
454	E	32.9	Very low	36.8	Very low	174 Å²	174	114.2 Å²	114.2	81%	0.813	64%	0.636	S	S	*	*			trans	-51.5	139	160.7	-67	-172.3	123.2	0	0	109.2	I452 A456	I452-E454 PolarHBondContact O-N 3.18Å; E454-A456 PolarHBondContact O-N 3.18Å
455	T	34.6	Very low	37.4	Very low	97 Å²	97	105 Å²	105	60%	0.595	60%	0.596	S	S	*	*			trans	-71.5	92.5	-168	47.7	0	0	0	0	111.2	T453 S457 S458	T453-T455 PolarHBondContact O-N 2.74Å; T455-S457 PolarHBondContact O-N 3.44Å; T455-S458 PolarHBondContact O-N 3.19Å; T455-S458 PolarHBondContact O-OG 3.42Å
456	A	34.5	Very low	38	Very low	70 Å²	70	102 Å²	102	58%	0.579	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50	-26.6	-177.8	0	0	0	0	0	114.6	E454 S458 A459 D460	E454-A456 PolarHBondContact O-N 3.18Å; A456-S458 PolarHBondContact O-N 3.18Å; A456-A459 PolarHBondContact O-N 2.65Å; A456-A459 VanDerWaalsContact O-N 3.08Å; A456-D460 PolarHBondContact O-N 3.49Å
457	S	38.4	Very low	38.7	Very low	62 Å²	62	102.9 Å²	102.9	43%	0.434	56%	0.562	S	S	.	*	H	α-helix	trans	-60	-22.1	174.7	62.1	0	0	0	0	114.7	T455 E461	T455-S457 PolarHBondContact O-N 3.44Å; S457-E461 WeakPolarHBondContact O-CB 3.23Å; S457-E461 WeakPolarHBondContact O-CG 3.36Å; S457-E461 PolarHBondContact O-N 2.78Å
458	S	47.4	Very low	38.8	Very low	44 Å²	44	99.5 Å²	99.5	31%	0.308	54%	0.539	S	S	.	.	H	α-helix	trans	-77.4	-27.4	174.6	62	0	0	0	0	113	T455 A456 R462	T455-S458 PolarHBondContact O-N 3.19Å; T455-S458 PolarHBondContact O-OG 3.42Å; A456-S458 PolarHBondContact O-N 3.18Å; S458-R462 WeakPolarHBondContact O-CB 3.47Å; S458-R462 WeakPolarHBondContact O-CD 3.28Å; S458-R462 VanDerWaalsContact O-CG 3.24Å; S458-R462 WeakPolarHBondContact O-CG 3.31Å; S458-R462 PolarHBondContact O-N 2.79Å
459	A	47.1	Very low	39.3	Very low	49 Å²	49	96.1 Å²	96.1	41%	0.405	51%	0.51	S	S	.	.	H	α-helix	trans	-71.7	-48.1	172.9	0	0	0	0	0	110.4	A456 E461 R462 I463	A456-A459 PolarHBondContact O-N 2.65Å; A456-A459 VanDerWaalsContact O-N 3.08Å; A459-E461 PolarHBondContact O-N 3.24Å; A459-R462 PolarHBondContact O-N 2.94Å; A459-I463 WeakPolarHBondContact O-CG1 3.36Å; A459-I463 PolarHBondContact O-N 3.29Å
460	D	42.1	Very low	40	Very low	85 Å²	85	92 Å²	92	46%	0.455	50%	0.501	S	S	.	.	H	α-helix	trans	-61.7	-43.1	177.7	-66.7	-14.5	0	0	0	111.7	A456 R462 I463 I464	A456-D460 PolarHBondContact O-N 3.49Å; D460-R462 VanDerWaalsContact C-N 3.34Å; D460-R462 PolarHBondContact O-N 2.91Å; D460-I463 PolarHBondContact O-N 3.09Å; D460-I464 WeakPolarHBondContact O-CG1 3.27Å; D460-I464 PolarHBondContact O-N 3.2Å; D460-I464 VanDerWaalsContact O-N 3.13Å
461	E	41.8	Very low	40.5	Very low	49 Å²	49	89.7 Å²	89.7	23%	0.229	49%	0.489	C	S	.	.	H	α-helix	trans	-60.8	-39.1	174.5	-85.1	-176.7	-154.8	0	0	112.6	Q425 S457 A459 M465 M515 R518	Q425-E461 PolarHBondContact NE2-OE1 2.81Å; S457-E461 WeakPolarHBondContact O-CB 3.23Å; S457-E461 WeakPolarHBondContact O-CG 3.36Å; S457-E461 PolarHBondContact O-N 2.78Å; A459-E461 PolarHBondContact O-N 3.24Å; E461-M465 WeakPolarHBondContact O-CG 2.99Å; E461-M465 PolarHBondContact O-N 2.97Å; E461-M465 VanDerWaalsContact O-N 3.16Å; E461-M515 HydrophobicContact CB-CE 3.82Å; E461-R518 IonicContact OE2-NH1 3.72Å; E461-R518 IonicContact OE2-NH2 3.79Å
462	R	46.3	Very low	40.7	Very low	111 Å²	111	85 Å²	85	42%	0.419	47%	0.474	S	S	.	.	H	α-helix	trans	-68.6	-47.1	177.3	-77.1	170.2	172.3	-139.9	6.5	112.1	S458 A459 D460 I464 M465 D466 M515 E519	S458-R462 WeakPolarHBondContact O-CB 3.47Å; S458-R462 WeakPolarHBondContact O-CD 3.28Å; S458-R462 VanDerWaalsContact O-CG 3.24Å; S458-R462 WeakPolarHBondContact O-CG 3.31Å; S458-R462 PolarHBondContact O-N 2.79Å; A459-R462 PolarHBondContact O-N 2.94Å; D460-R462 VanDerWaalsContact C-N 3.34Å; D460-R462 PolarHBondContact O-N 2.91Å; R462-I464 VanDerWaalsContact C-N 3.29Å; R462-I464 PolarHBondContact O-N 3.18Å; R462-M465 PolarHBondContact O-N 3.34Å; R462-M465 VanDerWaalsContact O-N 3.13Å; R462-D466 WeakPolarHBondContact O-CB 3.21Å; R462-D466 VanDerWaalsContact O-CG 3.31Å; R462-D466 PolarHBondContact O-N 2.95Å; R462-M515 HydrophobicContact CG-SD 3.93Å; R462-E519 IonicContact CZ-OE1 3.86Å; R462-E519 IonicContact CZ-OE2 2.72Å; R462-E519 IonicContact NE-OE1 3.93Å; R462-E519 PolarHBondContact NE-OE1 2.92Å; R462-E519 IonicContact NH2-OE1 3.03Å; R462-E519 PolarHBondContact NH2-OE1 3.44Å; R462-E519 IonicContact NH2-OE2 3.91Å; R462-E519 PolarHBondContact NH2-OE2 3.28Å
463	I	50.7	Low	41	Very low	92 Å²	92	82.2 Å²	82.2	47%	0.472	46%	0.464	S	S	.	.	H	α-helix	trans	-56.4	-45.6	178.9	-67.8	162.7	0	0	0	110.3	A459 D460 M465 D466 E467	A459-I463 WeakPolarHBondContact O-CG1 3.36Å; A459-I463 PolarHBondContact O-N 3.29Å; D460-I463 PolarHBondContact O-N 3.09Å; I463-M465 PolarHBondContact O-N 3.1Å; I463-D466 PolarHBondContact O-N 2.84Å; I463-E467 HydrophobicContact CG2-CG 4.43Å; I463-E467 WeakPolarHBondContact O-CB 3.26Å; I463-E467 WeakPolarHBondContact O-CG 3.11Å; I463-E467 PolarHBondContact O-N 3.38Å
464	I	44.8	Very low	41.5	Very low	92 Å²	92	80.8 Å²	80.8	47%	0.472	46%	0.459	S	S	.	.	H	α-helix	trans	-65.2	-39.1	178.7	-66	166.8	0	0	0	111.9	D460 R462 V468	D460-I464 WeakPolarHBondContact O-CG1 3.27Å; D460-I464 PolarHBondContact O-N 3.2Å; D460-I464 VanDerWaalsContact O-N 3.13Å; R462-I464 VanDerWaalsContact C-N 3.29Å; R462-I464 PolarHBondContact O-N 3.18Å; I464-V468 VanDerWaalsContact O-CG2 3.29Å; I464-V468 WeakPolarHBondContact O-CG2 3.18Å; I464-V468 PolarHBondContact O-N 3.44Å
465	M	44.2	Very low	41.7	Very low	16 Å²	16	83.6 Å²	83.6	8%	0.079	46%	0.463	C	S	.	.	H	α-helix	trans	-65.8	-45	173.5	-74.1	-159.8	-48.6	0	0	111.8	E461 R462 I463 V468 F469 R512 M515	E461-M465 WeakPolarHBondContact O-CG 2.99Å; E461-M465 PolarHBondContact O-N 2.97Å; E461-M465 VanDerWaalsContact O-N 3.16Å; R462-M465 PolarHBondContact O-N 3.34Å; R462-M465 VanDerWaalsContact O-N 3.13Å; I463-M465 PolarHBondContact O-N 3.1Å; M465-V468 PolarHBondContact O-N 2.82Å; M465-F469 HydrophobicContact CB-CD2 4.35Å; M465-F469 HydrophobicContact CB-CE2 4.41Å; M465-F469 WeakPolarHBondContact O-CD2 3.45Å; M465-F469 PolarHBondContact O-N 3.41Å; M465-R512 HydrophobicContact CE-CB 4.24Å; M465-R512 HydrophobicContact CE-CG 4.13Å; M465-R512 HydrophobicContact SD-CB 4.26Å; M465-M515 HydrophobicContact CE-CE 3.42Å; M465-M515 VanDerWaalsContact CE-CE 3.42Å; M465-M515 HydrophobicContact CE-SD 3.53Å; M465-M515 VanDerWaalsContact CE-SD 3.53Å; M465-M515 HydrophobicContact SD-CE 3.85Å
466	D	45.4	Very low	41.6	Very low	63 Å²	63	84.7 Å²	84.7	34%	0.337	47%	0.47	S	S	.	.	H	α-helix	trans	-73.2	-36.5	-171.9	-66.5	-21	0	0	0	111.4	R462 I463 V468 F469 E470 R512	R462-D466 WeakPolarHBondContact O-CB 3.21Å; R462-D466 VanDerWaalsContact O-CG 3.31Å; R462-D466 PolarHBondContact O-N 2.95Å; I463-D466 PolarHBondContact O-N 2.84Å; D466-V468 VanDerWaalsContact C-N 3.3Å; D466-V468 PolarHBondContact O-N 3.37Å; D466-F469 PolarHBondContact O-N 2.77Å; D466-E470 WeakPolarHBondContact O-CB 3.46Å; D466-E470 WeakPolarHBondContact O-CG 3.14Å; D466-E470 PolarHBondContact O-N 2.81Å; D466-R512 IonicContact OD1-CZ 2.7Å; D466-R512 IonicContact OD1-NH2 3.34Å; D466-R512 PolarHBondContact OD1-NH2 3.44Å
467	E	46.6	Very low	41.4	Very low	131 Å²	131	90.3 Å²	90.3	61%	0.612	48%	0.484	S	S	*	.	H	α-helix	trans	-57.1	-41.2	167.9	-77.3	-174	170.2	0	0	112.2	I463 A471	I463-E467 HydrophobicContact CG2-CG 4.43Å; I463-E467 WeakPolarHBondContact O-CB 3.26Å; I463-E467 WeakPolarHBondContact O-CG 3.11Å; I463-E467 PolarHBondContact O-N 3.38Å; E467-A471 WeakPolarHBondContact O-CB 3.22Å; E467-A471 PolarHBondContact O-N 2.85Å; E467-A471 VanDerWaalsContact O-N 3.15Å
468	V	40.3	Very low	41.2	Very low	41 Å²	41	95.4 Å²	95.4	25%	0.248	51%	0.506	C	S	.	.	H	α-helix	trans	-73.6	-30.8	178.8	174.3	0	0	0	0	112	I464 M465 D466 L504 L508	I464-V468 VanDerWaalsContact O-CG2 3.29Å; I464-V468 WeakPolarHBondContact O-CG2 3.18Å; I464-V468 PolarHBondContact O-N 3.44Å; M465-V468 PolarHBondContact O-N 2.82Å; D466-V468 VanDerWaalsContact C-N 3.3Å; D466-V468 PolarHBondContact O-N 3.37Å; V468-L504 HydrophobicContact CG1-CD2 4.35Å; V468-L508 HydrophobicContact CG1-CD1 3.61Å
469	F	38.6	Very low	40.5	Very low	43 Å²	43	102.9 Å²	102.9	19%	0.189	53%	0.533	C	S	.	.	H	α-helix	trans	-75.2	-43.1	173.6	-81.1	-63.1	0	0	0	112.7	M465 D466 A471 C472 K505 L508	M465-F469 HydrophobicContact CB-CD2 4.35Å; M465-F469 HydrophobicContact CB-CE2 4.41Å; M465-F469 WeakPolarHBondContact O-CD2 3.45Å; M465-F469 PolarHBondContact O-N 3.41Å; D466-F469 PolarHBondContact O-N 2.77Å; F469-A471 VanDerWaalsContact C-N 3.35Å; F469-A471 PolarHBondContact O-N 3.32Å; F469-C472 WeakPolarHBondContact O-CB 3.45Å; F469-C472 PolarHBondContact O-N 3.43Å; F469-C472 VanDerWaalsContact O-N 3.07Å; F469-K505 HydrophobicContact CE1-CG 4.46Å; F469-L508 HydrophobicContact CE2-CB 4.41Å; F469-L508 HydrophobicContact CZ-CB 3.95Å
470	E	42.8	Very low	39.8	Very low	142 Å²	142	109.9 Å²	109.9	66%	0.664	56%	0.557	S	S	*	*	H	α-helix	trans	-66.3	-34.4	178.6	-73.6	-165.8	149.7	0	0	112.6	D466 C472 T473	D466-E470 WeakPolarHBondContact O-CB 3.46Å; D466-E470 WeakPolarHBondContact O-CG 3.14Å; D466-E470 PolarHBondContact O-N 2.81Å; E470-C472 PolarHBondContact O-N 2.94Å; E470-T473 PolarHBondContact O-N 2.8Å; E470-T473 PolarHBondContact O-OG1 3.43Å
471	A	38.5	Very low	39.2	Very low	73 Å²	73	114.6 Å²	114.6	60%	0.603	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.6	-22.8	171.3	0	0	0	0	0	113.2	E467 F469	E467-A471 WeakPolarHBondContact O-CB 3.22Å; E467-A471 PolarHBondContact O-N 2.85Å; E467-A471 VanDerWaalsContact O-N 3.15Å; F469-A471 VanDerWaalsContact C-N 3.35Å; F469-A471 PolarHBondContact O-N 3.32Å
472	C	34.5	Very low	38.7	Very low	67 Å²	67	119.6 Å²	119.6	45%	0.453	61%	0.61	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100.2	-8	-178.5	-66.9	0	0	0	0	115.3	F469 E470	F469-C472 WeakPolarHBondContact O-CB 3.45Å; F469-C472 PolarHBondContact O-N 3.43Å; F469-C472 VanDerWaalsContact O-N 3.07Å; E470-C472 PolarHBondContact O-N 2.94Å
473	T	38.7	Very low	37.8	Very low	93 Å²	93	117.8 Å²	117.8	57%	0.571	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.6	-18.4	-174.7	50.9	0	0	0	0	114.4	E470 R475	E470-T473 PolarHBondContact O-N 2.8Å; E470-T473 PolarHBondContact O-OG1 3.43Å; T473-R475 PolarHBondContact O-N 3.03Å
474	S	40.8	Very low	36.6	Very low	102 Å²	102	122.5 Å²	122.5	71%	0.713	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	13	-167.5	58.2	0	0	0	0	117.6
475	R	37.7	Very low	35.9	Very low	233 Å²	233	126.6 Å²	126.6	88%	0.879	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-145.3	9.9	-174.8	-136.6	177.8	-173.7	-175.9	1.6	117.7	T473	T473-R475 PolarHBondContact O-N 3.03Å
476	T	32.9	Very low	35.1	Very low	121 Å²	121	133 Å²	133	74%	0.742	70%	0.698	S	S	*	*	S	Bend	trans	-131	41.8	-176.6	57.1	0	0	0	0	114.6
477	E	29.8	Very low	34.2	Very low	188 Å²	188	135.8 Å²	135.8	88%	0.879	72%	0.721	S	S	*	*			trans	-146.3	90.3	171.9	-122.8	164	-124.4	0	0	111.9
478	N	34.8	Very low	33.2	Very low	169 Å²	169	139 Å²	139	90%	0.904	74%	0.735	S	S	*	*			trans	-159.8	116	152.7	-109.8	-19.3	0	0	0	109.1
479	K	32.3	Very low	32.9	Very low	201 Å²	201	144 Å²	144	87%	0.874	76%	0.759	S	S	*	*			trans	-103.2	127.3	171.5	-62.6	171.7	-178	171.6	0	107.7
480	E	32.6	Very low	32.4	Very low	195 Å²	195	151 Å²	151	91%	0.911	79%	0.793	S	S	*	*			trans	-161	160.4	146.3	-117.8	163.7	-150.1	0	0	111
481	Q	28.2	Very low	31.8	Very low	185 Å²	185	147.6 Å²	147.6	86%	0.864	80%	0.796	S	S	*	*			trans	-108.8	122.8	-159.4	-57.8	151.9	-84.4	0	0	112.1
482	V	31.4	Very low	31.4	Very low	153 Å²	153	153.9 Å²	153.9	93%	0.927	81%	0.809	S	S	*	*			trans	-148.2	132.3	156.8	-171.7	0	0	0	0	110.8
483	G	28.4	Very low	31.4	Very low	73 Å²	73	156 Å²	156	75%	0.753	82%	0.82	S	S	*	*			trans	83.3	104.6	152.1	0	0	0	0	0	118.1
484	H	25.7	Very low	31.5	Very low	191 Å²	191	154.4 Å²	154.4	88%	0.884	81%	0.812	S	S	*	*			trans	-74.5	139.4	157.9	-83	-88.2	0	0	0	110.6
485	E	29.8	Very low	32.1	Very low	178 Å²	178	152.3 Å²	152.3	83%	0.832	80%	0.796	S	S	*	*				-165.9	117.6	121	-108.3	172.5	-152	0	0	111.4
486	N	26.3	Very low	32	Very low	152 Å²	152	146.1 Å²	146.1	81%	0.813	78%	0.776	S	S	*	*			trans	39.5	88.5	157.5	-55.3	-17.9	0	0	0	119.6
487	C	27.3	Very low	32.3	Very low	121 Å²	121	143.6 Å²	143.6	82%	0.818	76%	0.756	S	S	*	*			trans	-147.9	98.2	154	-104	0	0	0	0	112	I489	C487-I489 PolarHBondContact O-N 3.11Å
488	E	25.8	Very low	32.8	Very low	198 Å²	198	142.7 Å²	142.7	93%	0.925	74%	0.744	S	S	*	*			trans	-81	87.4	168	-67	-179.9	140.3	0	0	109.9
489	I	33.3	Very low	33.2	Very low	146 Å²	146	138 Å²	138	75%	0.749	72%	0.722	S	S	*	*			trans	-133.3	90.6	166	-54.2	-178.1	0	0	0	108.7	C487	C487-I489 PolarHBondContact O-N 3.11Å
490	E	29.8	Very low	33.6	Very low	191 Å²	191	132.3 Å²	132.3	89%	0.893	70%	0.703	S	S	*	*			trans	-65.5	145.5	167.4	-65	-169.6	119.6	0	0	110.6
491	G	28.4	Very low	34.2	Very low	70 Å²	70	125.9 Å²	125.9	72%	0.722	68%	0.675	S	S	*	*			trans	-72.2	151.1	-153.4	0	0	0	0	0	117.1
492	K	30.6	Very low	35.1	Very low	204 Å²	204	120.3 Å²	120.3	89%	0.887	65%	0.651	S	S	*	*			trans	-159.5	44.9	165	-112	160.1	-172.6	176.2	0	114.3
493	T	34.7	Very low	35.9	Very low	112 Å²	112	118.2 Å²	118.2	69%	0.687	63%	0.631	S	S	*	*			trans	-139.7	145.1	168.8	51.3	0	0	0	0	110.2
494	C	41.7	Very low	36.7	Very low	59 Å²	59	118.5 Å²	118.5	40%	0.399	62%	0.615	S	S	.	*			cis	-119.4	127.5	-13.3	171.2	0	0	0	0	107.8
495	P	52.3	Low	37.8	Very low	59 Å²	59	113.4 Å²	113.4	38%	0.383	59%	0.591	S	S	.	*	H	α-helix	trans	-81.9	-46.7	-171.8	29.4	-32.3	0	0	0	113.8	E46 E497 R498 V499	E46-P495 WeakPolarHBondContact OE1-CG 3.3Å; P495-E497 PolarHBondContact O-N 3.02Å; P495-R498 CarbonylContact O-C 3.57Å; P495-R498 WeakPolarHBondContact O-CA 3.36Å; P495-R498 WeakPolarHBondContact O-CB 3.36Å; P495-R498 PolarHBondContact O-N 3.41Å; P495-R498 VanDerWaalsContact O-N 3.07Å; P495-V499 WeakPolarHBondContact O-CG2 3.48Å; P495-V499 PolarHBondContact O-N 3.4Å
496	F	35.8	Very low	38.8	Very low	102 Å²	102	108.8 Å²	108.8	45%	0.447	57%	0.572	S	S	.	*	H	α-helix	trans	-62.4	-50.7	-165.1	-164.5	-91.8	0	0	0	114.1	F43 R498 V499 V500	F43-F496 AromaticContact CE1-CE2 3.74Å; F43-F496 HydrophobicContact CE1-CE2 3.74Å; F43-F496 HydrophobicContact CZ-CE2 4.02Å; F496-R498 VanDerWaalsContact C-N 3.27Å; F496-R498 PolarHBondContact O-N 2.77Å; F496-V499 PolarHBondContact O-N 2.74Å; F496-V499 VanDerWaalsContact O-N 3.08Å; F496-V500 HydrophobicContact CD1-CG2 4.19Å; F496-V500 HydrophobicContact CE1-CG2 3.87Å; F496-V500 HydrophobicContact CZ-CG2 4.34Å; F496-V500 PolarHBondContact O-N 3.07Å
497	E	40	Very low	39.7	Very low	69 Å²	69	105 Å²	105	32%	0.322	55%	0.554	S	S	.	*	H	α-helix	trans	-61.3	-37.7	175	-175.3	175.4	-165.7	0	0	111.1	S328 P495 L501	S328-E497 WeakPolarHBondContact CB-OE2 3.26Å; P495-E497 PolarHBondContact O-N 3.02Å; E497-L501 HydrophobicContact CG-CD1 3.84Å; E497-L501 HydrophobicContact CG-CG 4.41Å; E497-L501 VanDerWaalsContact O-CB 3.22Å; E497-L501 WeakPolarHBondContact O-CB 3.21Å; E497-L501 VanDerWaalsContact O-CG 3.23Å; E497-L501 WeakPolarHBondContact O-CG 3.48Å; E497-L501 PolarHBondContact O-N 3.21Å
498	R	39.7	Very low	40.7	Very low	168 Å²	168	101 Å²	101	63%	0.634	52%	0.524	S	S	*	.	H	α-helix	trans	-65.7	-35	172.5	-89.6	-176.2	172	174.3	0.5	113.2	P495 F496 N502	P495-R498 CarbonylContact O-C 3.57Å; P495-R498 WeakPolarHBondContact O-CA 3.36Å; P495-R498 WeakPolarHBondContact O-CB 3.36Å; P495-R498 PolarHBondContact O-N 3.41Å; P495-R498 VanDerWaalsContact O-N 3.07Å; F496-R498 VanDerWaalsContact C-N 3.27Å; F496-R498 PolarHBondContact O-N 2.77Å; R498-N502 WeakPolarHBondContact O-CA 3.22Å; R498-N502 WeakPolarHBondContact O-CB 3.13Å; R498-N502 PolarHBondContact O-N 2.83Å; R498-N502 PolarHBondContact O-ND2 3.41Å
499	V	42.7	Very low	41.9	Very low	71 Å²	71	97.4 Å²	97.4	43%	0.43	51%	0.505	S	S	.	.	H	α-helix	trans	-71.8	-49.9	179.1	166.9	0	0	0	0	109.8	P495 F496 L501 N502 E503	P495-V499 WeakPolarHBondContact O-CG2 3.48Å; P495-V499 PolarHBondContact O-N 3.4Å; F496-V499 PolarHBondContact O-N 2.74Å; F496-V499 VanDerWaalsContact O-N 3.08Å; V499-L501 PolarHBondContact O-N 3.39Å; V499-N502 PolarHBondContact O-N 3.46Å; V499-E503 PolarHBondContact O-N 2.77Å
500	V	41.8	Very low	42.8	Very low	81 Å²	81	93.8 Å²	93.8	49%	0.491	49%	0.493	S	S	.	.	H	α-helix	trans	-60.2	-46	177	177.5	0	0	0	0	111	F496 L504	F496-V500 HydrophobicContact CD1-CG2 4.19Å; F496-V500 HydrophobicContact CE1-CG2 3.87Å; F496-V500 HydrophobicContact CZ-CG2 4.34Å; F496-V500 PolarHBondContact O-N 3.07Å; V500-L504 WeakPolarHBondContact O-CB 3.18Å; V500-L504 PolarHBondContact O-N 2.87Å; V500-L504 VanDerWaalsContact O-N 3.07Å
501	L	45	Very low	43.6	Very low	60 Å²	60	87.8 Å²	87.8	31%	0.314	46%	0.462	S	S	.	.	H	α-helix	trans	-71.6	-32.8	177.1	-67	176.2	0	0	0	113.2	E497 V499 K505	E497-L501 HydrophobicContact CG-CD1 3.84Å; E497-L501 HydrophobicContact CG-CG 4.41Å; E497-L501 VanDerWaalsContact O-CB 3.22Å; E497-L501 WeakPolarHBondContact O-CB 3.21Å; E497-L501 VanDerWaalsContact O-CG 3.23Å; E497-L501 WeakPolarHBondContact O-CG 3.48Å; E497-L501 PolarHBondContact O-N 3.21Å; V499-L501 PolarHBondContact O-N 3.39Å; L501-K505 WeakPolarHBondContact O-CB 3.39Å; L501-K505 PolarHBondContact O-N 3.34Å
502	N	47.5	Very low	44.7	Very low	69 Å²	69	88.9 Å²	88.9	37%	0.369	45%	0.445	S	S	.	.	H	α-helix	trans	-72.2	-36.5	175.7	-79.5	-33.1	0	0	0	111.9	R498 V499 K505 N506	R498-N502 WeakPolarHBondContact O-CA 3.22Å; R498-N502 WeakPolarHBondContact O-CB 3.13Å; R498-N502 PolarHBondContact O-N 2.83Å; R498-N502 PolarHBondContact O-ND2 3.41Å; V499-N502 PolarHBondContact O-N 3.46Å; N502-K505 CarbonylContact O-C 3.55Å; N502-K505 PolarHBondContact O-N 2.89Å; N502-N506 VanDerWaalsContact O-CB 3.28Å; N502-N506 WeakPolarHBondContact O-CB 3.2Å; N502-N506 PolarHBondContact O-N 3.47Å; N502-N506 PolarHBondContact O-ND2 2.95Å; N502-N506 PolarHBondContact O-OD1 2.99Å
503	E	46.7	Very low	46.2	Very low	108 Å²	108	86 Å²	86	51%	0.505	43%	0.432	S	S	.	.	H	α-helix	trans	-65.8	-46.6	172.8	-78.7	-51.4	118.4	0	0	111.2	V499 K505 N506 V507	V499-E503 PolarHBondContact O-N 2.77Å; E503-K505 PolarHBondContact O-N 3.24Å; E503-N506 PolarHBondContact O-N 2.84Å; E503-N506 VanDerWaalsContact O-N 3.1Å; E503-N506 PolarHBondContact OE1-ND2 2.77Å; E503-N506 VanDerWaalsContact OE1-ND2 3.11Å; E503-V507 WeakPolarHBondContact O-CG2 3.34Å; E503-V507 PolarHBondContact O-N 2.88Å
504	L	44.9	Very low	47.3	Very low	79 Å²	79	83.7 Å²	83.7	41%	0.414	42%	0.416	S	S	.	.	H	α-helix	trans	-54.9	-43.6	172.5	-152.3	81.8	0	0	0	111.2	V468 V500 L508	V468-L504 HydrophobicContact CG1-CD2 4.35Å; V500-L504 WeakPolarHBondContact O-CB 3.18Å; V500-L504 PolarHBondContact O-N 2.87Å; V500-L504 VanDerWaalsContact O-N 3.07Å; L504-L508 HydrophobicContact CD2-CD1 4.3Å; L504-L508 HydrophobicContact CG-CD1 4.12Å; L504-L508 VanDerWaalsContact O-CB 3.25Å; L504-L508 WeakPolarHBondContact O-CB 3.1Å; L504-L508 WeakPolarHBondContact O-CD1 3.29Å; L504-L508 WeakPolarHBondContact O-CG 3.49Å; L504-L508 PolarHBondContact O-N 2.67Å
505	K	49.4	Very low	47.8	Very low	85 Å²	85	81.6 Å²	81.6	37%	0.37	40%	0.4	S	S	.	.	H	α-helix	trans	-71.6	-28.8	178.1	-178.5	-178.7	-172.1	173.6	0	114	F469 L501 N502 E503 K509	F469-K505 HydrophobicContact CE1-CG 4.46Å; L501-K505 WeakPolarHBondContact O-CB 3.39Å; L501-K505 PolarHBondContact O-N 3.34Å; N502-K505 CarbonylContact O-C 3.55Å; N502-K505 PolarHBondContact O-N 2.89Å; E503-K505 PolarHBondContact O-N 3.24Å; K505-K509 WeakPolarHBondContact O-CB 3.1Å; K505-K509 VanDerWaalsContact O-CG 3.27Å; K505-K509 WeakPolarHBondContact O-CG 3.28Å; K505-K509 PolarHBondContact O-N 2.97Å
506	N	50.4	Low	48.1	Very low	81 Å²	81	83.7 Å²	83.7	43%	0.433	41%	0.405	S	S	.	.	H	α-helix	trans	-71.4	-49.3	174.6	-76	-21.3	0	0	0	109.4	N502 E503 K509 S510	N502-N506 VanDerWaalsContact O-CB 3.28Å; N502-N506 WeakPolarHBondContact O-CB 3.2Å; N502-N506 PolarHBondContact O-N 3.47Å; N502-N506 PolarHBondContact O-ND2 2.95Å; N502-N506 PolarHBondContact O-OD1 2.99Å; E503-N506 PolarHBondContact O-N 2.84Å; E503-N506 VanDerWaalsContact O-N 3.1Å; E503-N506 PolarHBondContact OE1-ND2 2.77Å; E503-N506 VanDerWaalsContact OE1-ND2 3.11Å; N506-K509 PolarHBondContact O-N 3.37Å; N506-S510 PolarHBondContact O-N 3.14Å
507	V	46.4	Very low	49.4	Very low	72 Å²	72	82.7 Å²	82.7	44%	0.436	40%	0.403	S	S	.	.	H	α-helix	trans	-56.6	-51.9	171.9	174.9	0	0	0	0	110.1	E503 K509 S510 R511	E503-V507 WeakPolarHBondContact O-CG2 3.34Å; E503-V507 PolarHBondContact O-N 2.88Å; V507-K509 PolarHBondContact O-N 2.86Å; V507-S510 WeakPolarHBondContact O-CB 3.28Å; V507-S510 PolarHBondContact O-N 3.01Å; V507-R511 WeakPolarHBondContact O-CG 3.39Å; V507-R511 PolarHBondContact O-N 2.97Å
508	L	47.9	Very low	50.1	Low	37 Å²	37	85.2 Å²	85.2	19%	0.194	41%	0.41	C	S	.	.	H	α-helix	trans	-65.4	-35.5	-180	-71.4	167.3	0	0	0	113.5	V468 F469 L504 R511 R512	V468-L508 HydrophobicContact CG1-CD1 3.61Å; F469-L508 HydrophobicContact CE2-CB 4.41Å; F469-L508 HydrophobicContact CZ-CB 3.95Å; L504-L508 HydrophobicContact CD2-CD1 4.3Å; L504-L508 HydrophobicContact CG-CD1 4.12Å; L504-L508 VanDerWaalsContact O-CB 3.25Å; L504-L508 WeakPolarHBondContact O-CB 3.1Å; L504-L508 WeakPolarHBondContact O-CD1 3.29Å; L504-L508 WeakPolarHBondContact O-CG 3.49Å; L504-L508 PolarHBondContact O-N 2.67Å; L508-R511 PolarHBondContact O-N 3.24Å; L508-R512 PolarHBondContact O-N 3.15Å
509	K	51.1	Low	50.6	Low	122 Å²	122	79.5 Å²	79.5	53%	0.53	39%	0.39	S	S	.	.	H	α-helix	trans	-62.9	-42.2	171.1	-88.9	-178.5	170.1	-174.8	0	112	K505 N506 V507 R511 R512 K513	K505-K509 WeakPolarHBondContact O-CB 3.1Å; K505-K509 VanDerWaalsContact O-CG 3.27Å; K505-K509 WeakPolarHBondContact O-CG 3.28Å; K505-K509 PolarHBondContact O-N 2.97Å; N506-K509 PolarHBondContact O-N 3.37Å; V507-K509 PolarHBondContact O-N 2.86Å; K509-R511 VanDerWaalsContact C-N 3.32Å; K509-R512 PolarHBondContact O-N 2.87Å; K509-K513 PolarHBondContact O-N 2.81Å; K509-K513 VanDerWaalsContact O-N 3.11Å
510	S	51.2	Low	51.4	Low	71 Å²	71	80.2 Å²	80.2	50%	0.497	39%	0.389	S	S	.	.	H	α-helix	trans	-62.2	-43.2	174.4	-160.6	0	0	0	0	110.5	N506 V507 K513 D514	N506-S510 PolarHBondContact O-N 3.14Å; V507-S510 WeakPolarHBondContact O-CB 3.28Å; V507-S510 PolarHBondContact O-N 3.01Å; S510-K513 PolarHBondContact O-N 3.16Å; S510-D514 PolarHBondContact O-N 2.9Å
511	R	48.7	Very low	52.3	Low	64 Å²	64	83.7 Å²	83.7	24%	0.242	39%	0.393	C	S	.	.	H	α-helix	trans	-65.8	-36.6	176.5	-65.6	-52.1	-169.2	123.6	7.1	113.8	V507 L508 K509 D514 M515	V507-R511 WeakPolarHBondContact O-CG 3.39Å; V507-R511 PolarHBondContact O-N 2.97Å; L508-R511 PolarHBondContact O-N 3.24Å; K509-R511 VanDerWaalsContact C-N 3.32Å; R511-D514 PolarHBondContact O-N 3.48Å; R511-M515 WeakPolarHBondContact O-CB 3.36Å; R511-M515 PolarHBondContact O-N 2.87Å
512	R	50	Low	52.8	Low	94 Å²	94	83 Å²	83	36%	0.355	40%	0.396	S	S	.	.	H	α-helix	trans	-65.1	-44.4	173.9	-172.2	-176.7	-93.3	-165.9	-3	110.9	M465 D466 L508 K509 D514 M515 E516	M465-R512 HydrophobicContact CE-CB 4.24Å; M465-R512 HydrophobicContact CE-CG 4.13Å; M465-R512 HydrophobicContact SD-CB 4.26Å; D466-R512 IonicContact OD1-CZ 2.7Å; D466-R512 IonicContact OD1-NH2 3.34Å; D466-R512 PolarHBondContact OD1-NH2 3.44Å; L508-R512 PolarHBondContact O-N 3.15Å; K509-R512 PolarHBondContact O-N 2.87Å; R512-D514 PolarHBondContact O-N 3.49Å; R512-M515 WeakPolarHBondContact O-CA 3.5Å; R512-M515 WeakPolarHBondContact O-CB 3.18Å; R512-M515 PolarHBondContact O-N 2.92Å; R512-E516 WeakPolarHBondContact CD-OE1 3.48Å; R512-E516 HydrophobicContact CG-CG 4.41Å; R512-E516 WeakPolarHBondContact CG-OE1 3.33Å; R512-E516 WeakPolarHBondContact O-CG 3.48Å; R512-E516 PolarHBondContact O-N 3.38Å
513	K	62.7	Low	53.2	Low	142 Å²	142	86.2 Å²	86.2	62%	0.617	40%	0.403	S	S	*	.	H	α-helix	trans	-59.7	-44.5	172.3	-77.1	-171.1	172.7	-172.7	0	112.5	K509 S510 M515 E516 I517	K509-K513 PolarHBondContact O-N 2.81Å; K509-K513 VanDerWaalsContact O-N 3.11Å; S510-K513 PolarHBondContact O-N 3.16Å; K513-M515 PolarHBondContact O-N 3.23Å; K513-E516 PolarHBondContact O-N 3.13Å; K513-I517 WeakPolarHBondContact O-CB 3.44Å; K513-I517 WeakPolarHBondContact O-CD1 3.37Å; K513-I517 WeakPolarHBondContact O-CG1 3.5Å; K513-I517 PolarHBondContact O-N 3.24Å
514	D	56.5	Low	53.8	Low	65 Å²	65	86.4 Å²	86.4	35%	0.348	40%	0.404	S	S	.	.	H	α-helix	trans	-62.7	-27.6	174.1	-87	-2.3	0	0	0	112.8	S510 R511 R512 R518	S510-D514 PolarHBondContact O-N 2.9Å; R511-D514 PolarHBondContact O-N 3.48Å; R512-D514 PolarHBondContact O-N 3.49Å; D514-R518 WeakPolarHBondContact O-CB 3.4Å; D514-R518 WeakPolarHBondContact O-CG 3.3Å; D514-R518 PolarHBondContact O-N 2.8Å; D514-R518 PolarHBondContact O-NE 3.44Å
515	M	52.9	Low	54.4	Low	15 Å²	15	91.5 Å²	91.5	7%	0.074	42%	0.418	C	S	.	.	H	α-helix	trans	-75.6	-50.1	173.8	-170	-177.2	-68.7	0	0	111	E461 R462 M465 R511 R512 K513 I517 R518 E519	E461-M515 HydrophobicContact CB-CE 3.82Å; R462-M515 HydrophobicContact CG-SD 3.93Å; M465-M515 HydrophobicContact CE-CE 3.42Å; M465-M515 VanDerWaalsContact CE-CE 3.42Å; M465-M515 HydrophobicContact CE-SD 3.53Å; M465-M515 VanDerWaalsContact CE-SD 3.53Å; M465-M515 HydrophobicContact SD-CE 3.85Å; R511-M515 WeakPolarHBondContact O-CB 3.36Å; R511-M515 PolarHBondContact O-N 2.87Å; R512-M515 WeakPolarHBondContact O-CA 3.5Å; R512-M515 WeakPolarHBondContact O-CB 3.18Å; R512-M515 PolarHBondContact O-N 2.92Å; K513-M515 PolarHBondContact O-N 3.23Å; M515-I517 VanDerWaalsContact C-N 3.32Å; M515-I517 PolarHBondContact O-N 3.31Å; M515-R518 CarbonylContact O-C 3.52Å; M515-R518 WeakPolarHBondContact O-CA 3.32Å; M515-R518 WeakPolarHBondContact O-CB 3.41Å; M515-R518 PolarHBondContact O-N 2.92Å; M515-E519 WeakPolarHBondContact O-CG 3.04Å; M515-E519 PolarHBondContact O-N 3.4Å
516	E	58.6	Low	54.5	Low	103 Å²	103	92.6 Å²	92.6	48%	0.481	43%	0.427	S	S	.	.	H	α-helix	trans	-55.6	-45.1	175.6	-69.5	162.4	177.3	0	0	111.1	R512 K513 R518 E519 E520	R512-E516 WeakPolarHBondContact CD-OE1 3.48Å; R512-E516 HydrophobicContact CG-CG 4.41Å; R512-E516 WeakPolarHBondContact CG-OE1 3.33Å; R512-E516 WeakPolarHBondContact O-CG 3.48Å; R512-E516 PolarHBondContact O-N 3.38Å; K513-E516 PolarHBondContact O-N 3.13Å; E516-R518 PolarHBondContact O-N 3.35Å; E516-E519 PolarHBondContact O-N 3.32Å; E516-E520 VanDerWaalsContact O-CB 3.24Å; E516-E520 WeakPolarHBondContact O-CB 3.27Å; E516-E520 PolarHBondContact O-N 2.86Å
517	I	62.4	Low	54.4	Low	80 Å²	80	96.1 Å²	96.1	41%	0.41	44%	0.435	S	S	.	.	H	α-helix	trans	-65.8	-34.9	176	-67.6	164.4	0	0	0	111.9	K513 M515 R521	K513-I517 WeakPolarHBondContact O-CB 3.44Å; K513-I517 WeakPolarHBondContact O-CD1 3.37Å; K513-I517 WeakPolarHBondContact O-CG1 3.5Å; K513-I517 PolarHBondContact O-N 3.24Å; M515-I517 VanDerWaalsContact C-N 3.32Å; M515-I517 PolarHBondContact O-N 3.31Å; I517-R521 VanDerWaalsContact O-CB 3.3Å; I517-R521 WeakPolarHBondContact O-CB 3.41Å; I517-R521 WeakPolarHBondContact O-CD 3.42Å; I517-R521 WeakPolarHBondContact O-CG 3.2Å; I517-R521 PolarHBondContact O-N 3.05Å
518	R	54.9	Low	54.5	Low	123 Å²	123	94.1 Å²	94.1	46%	0.464	43%	0.429	S	S	.	.	H	α-helix	trans	-70.4	-45.9	175	-82.7	178.5	-66.4	147.3	0.3	111.8	E461 D514 M515 E516 R521 A522	E461-R518 IonicContact OE2-NH1 3.72Å; E461-R518 IonicContact OE2-NH2 3.79Å; D514-R518 WeakPolarHBondContact O-CB 3.4Å; D514-R518 WeakPolarHBondContact O-CG 3.3Å; D514-R518 PolarHBondContact O-N 2.8Å; D514-R518 PolarHBondContact O-NE 3.44Å; M515-R518 CarbonylContact O-C 3.52Å; M515-R518 WeakPolarHBondContact O-CA 3.32Å; M515-R518 WeakPolarHBondContact O-CB 3.41Å; M515-R518 PolarHBondContact O-N 2.92Å; E516-R518 PolarHBondContact O-N 3.35Å; R518-R521 PolarHBondContact O-N 2.69Å; R518-A522 VanDerWaalsContact O-CB 3.31Å; R518-A522 WeakPolarHBondContact O-CB 3.19Å; R518-A522 PolarHBondContact O-N 2.82Å
519	E	51.9	Low	54.5	Low	48 Å²	48	94.6 Å²	94.6	22%	0.224	44%	0.439	C	S	.	.	H	α-helix	trans	-64.5	-41.1	178.1	-71.9	-173.4	169.6	0	0	111.6	R462 M515 E516 A522 R523	R462-E519 IonicContact CZ-OE1 3.86Å; R462-E519 IonicContact CZ-OE2 2.72Å; R462-E519 IonicContact NE-OE1 3.93Å; R462-E519 PolarHBondContact NE-OE1 2.92Å; R462-E519 IonicContact NH2-OE1 3.03Å; R462-E519 PolarHBondContact NH2-OE1 3.44Å; R462-E519 IonicContact NH2-OE2 3.91Å; R462-E519 PolarHBondContact NH2-OE2 3.28Å; M515-E519 WeakPolarHBondContact O-CG 3.04Å; M515-E519 PolarHBondContact O-N 3.4Å; E516-E519 PolarHBondContact O-N 3.32Å; E519-A522 WeakPolarHBondContact O-CB 3.43Å; E519-A522 PolarHBondContact O-N 3.46Å; E519-R523 PolarHBondContact O-N 3.43Å
520	E	57.9	Low	54.1	Low	86 Å²	86	94.7 Å²	94.7	40%	0.402	44%	0.441	S	S	.	.	H	α-helix	trans	-68.6	-42.2	177.7	-175.4	51.9	-149.9	0	0	111.5	E516 A522 R523 Q524	E516-E520 VanDerWaalsContact O-CB 3.24Å; E516-E520 WeakPolarHBondContact O-CB 3.27Å; E516-E520 PolarHBondContact O-N 2.86Å; E520-A522 VanDerWaalsContact C-N 3.28Å; E520-A522 PolarHBondContact O-N 3.5Å; E520-R523 PolarHBondContact O-N 2.81Å; E520-Q524 WeakPolarHBondContact O-CB 3.35Å; E520-Q524 VanDerWaalsContact O-CG 3.26Å; E520-Q524 WeakPolarHBondContact O-CG 3.21Å; E520-Q524 PolarHBondContact O-N 3.21Å; E520-Q524 PolarHBondContact OE1-NE2 2.82Å
521	R	61.6	Low	53.8	Low	154 Å²	154	96.4 Å²	96.4	58%	0.581	45%	0.448	S	S	*	.	H	α-helix	trans	-62.6	-33.3	170.2	-74.6	173.3	178.1	179.5	1.2	112.7	I517 R518 R525	I517-R521 VanDerWaalsContact O-CB 3.3Å; I517-R521 WeakPolarHBondContact O-CB 3.41Å; I517-R521 WeakPolarHBondContact O-CD 3.42Å; I517-R521 WeakPolarHBondContact O-CG 3.2Å; I517-R521 PolarHBondContact O-N 3.05Å; R518-R521 PolarHBondContact O-N 2.69Å; R521-R525 WeakPolarHBondContact O-CB 3.36Å; R521-R525 WeakPolarHBondContact O-CD 3.27Å; R521-R525 VanDerWaalsContact O-CG 3.23Å; R521-R525 WeakPolarHBondContact O-CG 3.35Å; R521-R525 PolarHBondContact O-N 3.41Å; R521-R525 VanDerWaalsContact O-N 3.1Å
522	A	54.5	Low	53.5	Low	45 Å²	45	100.2 Å²	100.2	37%	0.372	47%	0.469	S	S	.	.	H	α-helix	trans	-70.4	-42.8	175.3	0	0	0	0	0	111.5	R518 E519 E520 R525 L526	R518-A522 VanDerWaalsContact O-CB 3.31Å; R518-A522 WeakPolarHBondContact O-CB 3.19Å; R518-A522 PolarHBondContact O-N 2.82Å; E519-A522 WeakPolarHBondContact O-CB 3.43Å; E519-A522 PolarHBondContact O-N 3.46Å; E520-A522 VanDerWaalsContact C-N 3.28Å; E520-A522 PolarHBondContact O-N 3.5Å; A522-R525 PolarHBondContact O-N 3.37Å; A522-L526 WeakPolarHBondContact O-CB 3.17Å; A522-L526 WeakPolarHBondContact O-CG 3.48Å; A522-L526 PolarHBondContact O-N 2.88Å
523	R	56.4	Low	53.2	Low	136 Å²	136	101.5 Å²	101.5	51%	0.513	49%	0.487	S	S	.	.	H	α-helix	trans	-59.4	-49.7	171.6	-81	-179.2	171.7	151.9	-0.1	111.9	E519 E520 R525 L526 Y527	E519-R523 PolarHBondContact O-N 3.43Å; E520-R523 PolarHBondContact O-N 2.81Å; R523-R525 VanDerWaalsContact C-N 3.27Å; R523-R525 PolarHBondContact O-N 2.93Å; R523-L526 PolarHBondContact O-N 3.38Å; R523-L526 VanDerWaalsContact O-N 3.07Å; R523-Y527 HydrophobicContact CB-CD2 4.35Å; R523-Y527 HydrophobicContact CB-CE2 4.33Å; R523-Y527 WeakPolarHBondContact O-CD2 3.41Å; R523-Y527 PolarHBondContact O-N 3.3Å
524	Q	59.5	Low	52.1	Low	113 Å²	113	99.4 Å²	99.4	53%	0.528	49%	0.49	S	S	.	.	H	α-helix	trans	-59.6	-38.3	179.2	-71.4	171.4	7.7	0	0	111.9	E520 G528	E520-Q524 WeakPolarHBondContact O-CB 3.35Å; E520-Q524 VanDerWaalsContact O-CG 3.26Å; E520-Q524 WeakPolarHBondContact O-CG 3.21Å; E520-Q524 PolarHBondContact O-N 3.21Å; E520-Q524 PolarHBondContact OE1-NE2 2.82Å; Q524-G528 PolarHBondContact O-N 3.2Å
525	R	57.9	Low	51.1	Low	185 Å²	185	99.9 Å²	99.9	70%	0.698	50%	0.499	S	S	*	.	H	α-helix	trans	-68.2	-39.2	172.2	-73.4	168	178.2	176.5	-4.3	113.3	R521 A522 R523 A529	R521-R525 WeakPolarHBondContact O-CB 3.36Å; R521-R525 WeakPolarHBondContact O-CD 3.27Å; R521-R525 VanDerWaalsContact O-CG 3.23Å; R521-R525 WeakPolarHBondContact O-CG 3.35Å; R521-R525 PolarHBondContact O-N 3.41Å; R521-R525 VanDerWaalsContact O-N 3.1Å; A522-R525 PolarHBondContact O-N 3.37Å; R523-R525 VanDerWaalsContact C-N 3.27Å; R523-R525 PolarHBondContact O-N 2.93Å; R525-A529 VanDerWaalsContact O-CB 3.23Å; R525-A529 WeakPolarHBondContact O-CB 3.37Å; R525-A529 PolarHBondContact O-N 2.73Å
526	L	51.3	Low	50.4	Low	108 Å²	108	104.2 Å²	104.2	57%	0.565	53%	0.531	S	S	*	.	H	α-helix	trans	-67.1	-43.4	176.6	-77.6	164	0	0	0	111.8	A522 R523 Q530	A522-L526 WeakPolarHBondContact O-CB 3.17Å; A522-L526 WeakPolarHBondContact O-CG 3.48Å; A522-L526 PolarHBondContact O-N 2.88Å; R523-L526 PolarHBondContact O-N 3.38Å; R523-L526 VanDerWaalsContact O-N 3.07Å; L526-Q530 WeakPolarHBondContact O-CB 3.18Å; L526-Q530 VanDerWaalsContact O-CG 3.3Å; L526-Q530 WeakPolarHBondContact O-CG 3.41Å; L526-Q530 PolarHBondContact O-N 2.95Å
527	Y	48.9	Very low	49.2	Very low	155 Å²	155	103.8 Å²	103.8	61%	0.608	54%	0.539	S	S	*	.	H	α-helix	trans	-64.8	-45.4	173.7	-75.5	-61.4	0	0	0	111.7	R523 Q530 V531	R523-Y527 HydrophobicContact CB-CD2 4.35Å; R523-Y527 HydrophobicContact CB-CE2 4.33Å; R523-Y527 WeakPolarHBondContact O-CD2 3.41Å; R523-Y527 PolarHBondContact O-N 3.3Å; Y527-Q530 PolarHBondContact O-N 3.15Å; Y527-V531 VanDerWaalsContact O-CG2 3.31Å; Y527-V531 WeakPolarHBondContact O-CG2 3.39Å; Y527-V531 PolarHBondContact O-N 3.39Å
528	G	47.6	Very low	47.8	Very low	30 Å²	30	107 Å²	107	31%	0.309	56%	0.557	S	S	.	*	H	α-helix	trans	-56.9	-51.1	174.2	0	0	0	0	0	112.2	Q524 Q530 V531 E532	Q524-G528 PolarHBondContact O-N 3.2Å; G528-Q530 VanDerWaalsContact C-N 3.33Å; G528-Q530 PolarHBondContact O-N 2.85Å; G528-V531 PolarHBondContact O-N 2.83Å; G528-V531 VanDerWaalsContact O-N 3.14Å; G528-E532 WeakPolarHBondContact O-CG 3.24Å; G528-E532 PolarHBondContact O-N 3.29Å
529	A	47.5	Very low	47.1	Very low	48 Å²	48	107.4 Å²	107.4	40%	0.397	57%	0.573	S	S	.	*	H	α-helix	trans	-62.7	-34.4	178.4	0	0	0	0	0	113.3	R525 T533	R525-A529 VanDerWaalsContact O-CB 3.23Å; R525-A529 WeakPolarHBondContact O-CB 3.37Å; R525-A529 PolarHBondContact O-N 2.73Å; A529-T533 VanDerWaalsContact O-CB 3.3Å; A529-T533 WeakPolarHBondContact O-CB 3.47Å; A529-T533 VanDerWaalsContact O-CG2 3.28Å; A529-T533 WeakPolarHBondContact O-CG2 3.34Å; A529-T533 PolarHBondContact O-N 3.38Å; A529-T533 PolarHBondContact O-OG1 3.17Å
530	Q	43.6	Very low	46.2	Very low	123 Å²	123	112.5 Å²	112.5	58%	0.575	60%	0.597	S	S	*	*	H	α-helix	trans	-72.8	-32	174.9	-75.2	178.6	-2.6	0	0	113	L526 Y527 G528 S534	L526-Q530 WeakPolarHBondContact O-CB 3.18Å; L526-Q530 VanDerWaalsContact O-CG 3.3Å; L526-Q530 WeakPolarHBondContact O-CG 3.41Å; L526-Q530 PolarHBondContact O-N 2.95Å; Y527-Q530 PolarHBondContact O-N 3.15Å; G528-Q530 VanDerWaalsContact C-N 3.33Å; G528-Q530 PolarHBondContact O-N 2.85Å; Q530-S534 PolarHBondContact O-OG 2.96Å
531	V	44.3	Very low	44.9	Very low	107 Å²	107	115.4 Å²	115.4	65%	0.648	62%	0.615	S	S	*	*	H	α-helix	trans	-72.1	-38.5	173.2	170.3	0	0	0	0	111.4	Y527 G528 S534	Y527-V531 VanDerWaalsContact O-CG2 3.31Å; Y527-V531 WeakPolarHBondContact O-CG2 3.39Å; Y527-V531 PolarHBondContact O-N 3.39Å; G528-V531 PolarHBondContact O-N 2.83Å; G528-V531 VanDerWaalsContact O-N 3.14Å; V531-S534 PolarHBondContact O-OG 2.8Å; V531-S534 VanDerWaalsContact O-OG 3.09Å
532	E	43.4	Very low	43.6	Very low	144 Å²	144	112.4 Å²	112.4	67%	0.673	62%	0.624	S	S	*	*	H	α-helix	trans	-77	-37.9	178.6	-70.1	173.8	173	0	0	112.8	G528 S534 S535	G528-E532 WeakPolarHBondContact O-CG 3.24Å; G528-E532 PolarHBondContact O-N 3.29Å; E532-S534 PolarHBondContact O-N 2.92Å; E532-S535 PolarHBondContact O-N 2.82Å; E532-S535 PolarHBondContact O-OG 2.98Å
533	T	43.5	Very low	42.5	Very low	121 Å²	121	115.8 Å²	115.8	74%	0.742	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-2.3	178.8	53.6	0	0	0	0	114.5	A529	A529-T533 VanDerWaalsContact O-CB 3.3Å; A529-T533 WeakPolarHBondContact O-CB 3.47Å; A529-T533 VanDerWaalsContact O-CG2 3.28Å; A529-T533 WeakPolarHBondContact O-CG2 3.34Å; A529-T533 PolarHBondContact O-N 3.38Å; A529-T533 PolarHBondContact O-OG1 3.17Å
534	S	38.2	Very low	41.3	Very low	98 Å²	98	116.9 Å²	116.9	69%	0.685	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	3.7	172.7	44.1	0	0	0	0	114.1	Q530 V531 E532	Q530-S534 PolarHBondContact O-OG 2.96Å; V531-S534 PolarHBondContact O-OG 2.8Å; V531-S534 VanDerWaalsContact O-OG 3.09Å; E532-S534 PolarHBondContact O-N 2.92Å
535	S	36.7	Very low	40	Very low	76 Å²	76	117.5 Å²	117.5	53%	0.531	66%	0.66	S	S	.	*	S	Bend	trans	-118	116.3	177.9	52.4	0	0	0	0	115.4	E532	E532-S535 PolarHBondContact O-N 2.82Å; E532-S535 PolarHBondContact O-OG 2.98Å
536	S	37.6	Very low	38.7	Very low	105 Å²	105	119.2 Å²	119.2	73%	0.734	67%	0.667	S	S	*	*			trans	45.9	95.6	149.1	59.4	0	0	0	0	121.1
537	S	33	Very low	37.8	Very low	95 Å²	95	122.5 Å²	122.5	66%	0.664	68%	0.679	S	S	*	*				20.5	135.4	125.9	63.4	0	0	0	0	122.7
538	N	34.2	Very low	37.1	Very low	147 Å²	147	121.1 Å²	121.1	79%	0.786	69%	0.686	S	S	*	*			trans	95.6	148.1	146.8	-57.3	-25	0	0	0	120.2
539	V	39	Very low	36.5	Very low	131 Å²	131	125.2 Å²	125.2	79%	0.794	71%	0.707	S	S	*	*			trans	69.1	134.8	167.6	-160.2	0	0	0	0	116
540	Q	33	Very low	35.8	Very low	155 Å²	155	127.5 Å²	127.5	72%	0.724	72%	0.721	S	S	*	*			cis	146.8	116.3	-27.2	176.2	177.2	2.5	0	0	109.5
541	N	31.1	Very low	35.4	Very low	147 Å²	147	131.1 Å²	131.1	79%	0.786	74%	0.737	S	S	*	*			trans	63.1	129.2	165	-60.3	-0.7	0	0	0	120.7
542	A	34.1	Very low	34.8	Very low	92 Å²	92	132 Å²	132	76%	0.76	74%	0.743	S	S	*	*				179.6	130.9	115.9	0	0	0	0	0	114
543	C	31.2	Very low	34.2	Very low	115 Å²	115	134 Å²	134	78%	0.777	76%	0.755	S	S	*	*			trans	50.2	159	144	-64.8	0	0	0	0	123.4
544	E	32.3	Very low	33.8	Very low	159 Å²	159	135.5 Å²	135.5	74%	0.743	75%	0.753	S	S	*	*			cis	-173.7	158.2	-41.2	-121.7	177.4	169.4	0	0	112
545	L	31.7	Very low	33.3	Very low	126 Å²	126	139.6 Å²	139.6	66%	0.66	75%	0.754	S	S	*	*			trans	62.4	105.9	147.6	-74.3	164.9	0	0	0	123
546	R	31.6	Very low	33.1	Very low	222 Å²	222	140.3 Å²	140.3	84%	0.838	76%	0.759	S	S	*	*				154.9	111.8	102.7	-95.2	168.8	176.6	-178.2	-0.5	117.6
547	E	32	Very low	33	Very low	177 Å²	177	141.1 Å²	141.1	83%	0.827	75%	0.751	S	S	*	*				3.1	156.5	124.4	-52.1	-174.9	142.7	0	0	119.3
548	V	32.9	Very low	32.9	Very low	125 Å²	125	143.4 Å²	143.4	76%	0.758	76%	0.755	S	S	*	*			cis	-176.7	176.7	18	96.7	0	0	0	0	109.6
549	P	36.4	Very low	32.9	Very low	116 Å²	116	143 Å²	143	75%	0.753	76%	0.758	S	S	*	*			cis	-130	-157.4	-23.7	42.6	-24.2	0	0	0	113.5
550	S	31.2	Very low	32.6	Very low	96 Å²	96	143.9 Å²	143.9	67%	0.671	76%	0.758	S	S	*	*			trans	-113.6	165.3	178	58.1	0	0	0	0	115
551	E	35.9	Very low	32.8	Very low	199 Å²	199	140.8 Å²	140.8	93%	0.93	76%	0.759	S	S	*	*			trans	-124.2	164.7	154.4	-74.7	-160.9	144.9	0	0	112.1
552	T	31.4	Very low	33.1	Very low	126 Å²	126	141.9 Å²	141.9	77%	0.773	77%	0.765	S	S	*	*			trans	-140.1	153.8	-160.5	58.4	0	0	0	0	114.4
553	M	31.9	Very low	33.1	Very low	187 Å²	187	146.5 Å²	146.5	92%	0.921	77%	0.767	S	S	*	*			trans	-146.2	155.2	160.6	-158	167.3	-178.9	0	0	113
554	Q	33.8	Very low	33.5	Very low	151 Å²	151	148.2 Å²	148.2	71%	0.706	77%	0.769	S	S	*	*			trans	-124.6	177	-176.4	-56.1	-170	11.1	0	0	110.3
555	R	28.7	Very low	33.5	Very low	185 Å²	185	147.2 Å²	147.2	70%	0.698	77%	0.765	S	S	*	*			cis	-142.5	-138.9	15.2	-146.5	-169.5	148.9	76.3	-3.9	109.5	E557	R555-E557 IonicContact CZ-OE1 3.55Å; R555-E557 VanDerWaalsContact CZ-OE1 3.28Å; R555-E557 IonicContact NE-OE1 3.2Å; R555-E557 PolarHBondContact NE-OE1 3.45Å; R555-E557 IonicContact NE-OE2 2.84Å; R555-E557 IonicContact NH2-OE1 3.77Å; R555-E557 PolarHBondContact NH2-OE1 3.41Å
556	S	32.7	Very low	33.8	Very low	91 Å²	91	150.6 Å²	150.6	64%	0.636	78%	0.777	S	S	*	*			cis	-152.5	-168.4	6.4	-132.3	0	0	0	0	111.1
557	E	34.9	Very low	33.8	Very low	122 Å²	122	147.5 Å²	147.5	57%	0.57	77%	0.769	S	S	*	*			trans	-62.4	152.2	178.4	-64	74.1	-159.8	0	0	113.5	R555	R555-E557 IonicContact CZ-OE1 3.55Å; R555-E557 VanDerWaalsContact CZ-OE1 3.28Å; R555-E557 IonicContact NE-OE1 3.2Å; R555-E557 PolarHBondContact NE-OE1 3.45Å; R555-E557 IonicContact NE-OE2 2.84Å; R555-E557 IonicContact NH2-OE1 3.77Å; R555-E557 PolarHBondContact NH2-OE1 3.41Å
558	L	30.8	Very low	33.9	Very low	142 Å²	142	147.2 Å²	147.2	74%	0.743	77%	0.773	S	S	*	*			cis	85.1	104.8	24.3	-161.2	163.6	0	0	0	115.1
559	V	35.1	Very low	33.8	Very low	140 Å²	140	150 Å²	150	85%	0.848	78%	0.775	S	S	*	*			trans	-144	121.8	161.4	179.8	0	0	0	0	109.6
560	D	31.8	Very low	33.5	Very low	149 Å²	149	151.8 Å²	151.8	80%	0.797	78%	0.778	S	S	*	*			trans	-88.7	145.3	169.5	-85.3	-63.4	0	0	0	111.6
561	A	37.8	Very low	33.3	Very low	89 Å²	89	152.4 Å²	152.4	74%	0.736	78%	0.782	S	S	*	*			trans	-148.8	70.4	177.4	0	0	0	0	0	115
562	N	37.5	Very low	32.9	Very low	171 Å²	171	151.6 Å²	151.6	91%	0.914	78%	0.776	S	S	*	*			trans	52.6	146.5	147.9	-76.7	-34.1	0	0	0	124
563	K	33.6	Very low	32.8	Very low	188 Å²	188	154.5 Å²	154.5	82%	0.817	78%	0.781	S	S	*	*			trans	-77.8	155	179.4	-55.1	156.9	180	169.3	0	113.3
564	N	38.7	Very low	32.6	Very low	152 Å²	152	152.1 Å²	152.1	81%	0.813	77%	0.771	S	S	*	*				-154.8	130.5	122	-83	-30.8	0	0	0	105.5
565	E	32.6	Very low	32.2	Very low	138 Å²	138	151.2 Å²	151.2	65%	0.645	77%	0.771	S	S	*	*				45.4	123.8	84.2	-57	-122.4	107.7	0	0	111.6	K567	E565-K567 IonicContact OE1-NZ 3.11Å; E565-K567 PolarHBondContact OE1-NZ 3.39Å; E565-K567 IonicContact OE2-NZ 2.76Å
566	E	37.9	Very low	32.2	Very low	197 Å²	197	149.2 Å²	149.2	92%	0.921	77%	0.774	S	S	*	*			cis	-120.1	177.9	48.5	-62	-172.3	111.5	0	0	116.8
567	K	33	Very low	31.9	Very low	156 Å²	156	150.8 Å²	150.8	68%	0.678	78%	0.78	S	S	*	*			trans	-107.4	132.4	179.5	-54	173.2	-177.2	71.2	0	110.1	E565	E565-K567 IonicContact OE1-NZ 3.11Å; E565-K567 PolarHBondContact OE1-NZ 3.39Å; E565-K567 IonicContact OE2-NZ 2.76Å
568	L	34.1	Very low	31.7	Very low	171 Å²	171	151.7 Å²	151.7	90%	0.895	79%	0.789	S	S	*	*			trans	-114.4	116.3	153.1	-119.6	166.8	0	0	0	108.2
569	K	30.3	Very low	31.6	Very low	184 Å²	184	151.9 Å²	151.9	80%	0.8	79%	0.79	S	S	*	*			trans	-81.7	133.5	170.8	-63.1	174.4	-179.4	175.6	0	107.5
570	D	30.6	Very low	31.1	Very low	154 Å²	154	154.2 Å²	154.2	82%	0.824	79%	0.789	S	S	*	*			trans	-143.5	139	139.1	-110.2	-36.8	0	0	0	109.8
571	S	25.7	Very low	31.1	Very low	108 Å²	108	152.1 Å²	152.1	76%	0.755	78%	0.782	S	S	*	*			trans	-109.8	111.8	-170.9	54.2	0	0	0	0	110.9
572	F	27.8	Very low	30.8	Very low	182 Å²	182	152.2 Å²	152.2	80%	0.798	77%	0.768	S	S	*	*			trans	-112.1	93.1	163.3	-93.7	-87.8	0	0	0	110.4	L574	F572-L574 HydrophobicContact CD1-CD1 3.91Å; F572-L574 HydrophobicContact CE1-CD1 3.94Å
573	Q	28.9	Very low	30.9	Very low	188 Å²	188	147.1 Å²	147.1	88%	0.879	75%	0.745	S	S	*	*			trans	-84.8	119.9	146.9	-77.7	-176	-43.6	0	0	107.4
574	L	29.3	Very low	31.4	Very low	136 Å²	136	142.2 Å²	142.2	71%	0.712	73%	0.73	S	S	*	*			trans	-162.7	93	163.9	-103.7	147.8	0	0	0	104.5	F572	F572-L574 HydrophobicContact CD1-CD1 3.91Å; F572-L574 HydrophobicContact CE1-CD1 3.94Å
575	D	25.2	Very low	32	Very low	133 Å²	133	141.5 Å²	141.5	71%	0.711	72%	0.722	S	S	*	*				53.8	102.7	84.5	-82.7	-32.5	0	0	0	114.2
576	N	27.9	Very low	32.7	Very low	142 Å²	142	139.4 Å²	139.4	76%	0.759	72%	0.715	S	S	*	*			trans	61.1	158	149	-70.9	-56	0	0	0	120.7
577	T	27.1	Very low	33.1	Very low	124 Å²	124	137.4 Å²	137.4	76%	0.761	70%	0.699	S	S	*	*			trans	53.7	102.2	166.6	50.4	0	0	0	0	117.9
578	N	30.1	Very low	34.5	Very low	142 Å²	142	134.3 Å²	134.3	76%	0.759	69%	0.69	S	S	*	*				-150.3	69.9	118.9	-106.7	-34.4	0	0	0	111.6	F580	N578-F580 PolarHBondContact O-N 3.07Å
579	N	27.5	Very low	35.9	Very low	145 Å²	145	131.4 Å²	131.4	78%	0.775	67%	0.672	S	S	*	*			trans	-63	100.1	155.7	-87.5	-11.8	0	0	0	107.5	V581	N579-V581 HydrophobicContact CB-CG2 4.26Å; N579-V581 PolarHBondContact O-N 3.1Å
580	F	26.6	Very low	37	Very low	189 Å²	189	128.5 Å²	128.5	83%	0.829	66%	0.659	S	S	*	*			trans	-75.6	50.2	168.7	-115.5	-84	0	0	0	111.5	N578 M582	N578-F580 PolarHBondContact O-N 3.07Å; F580-M582 PolarHBondContact O-N 2.99Å; F580-M582 VanDerWaalsContact O-N 3.09Å
581	V	30.9	Very low	38.5	Very low	106 Å²	106	124 Å²	124	64%	0.642	64%	0.637	S	S	*	*			trans	-65.7	105	158.8	173.2	0	0	0	0	105.5	N579 P583	N579-V581 HydrophobicContact CB-CG2 4.26Å; N579-V581 PolarHBondContact O-N 3.1Å; V581-P583 WeakPolarHBondContact O-CD 3.49Å; V581-P583 VanDerWaalsContact O-N 3.13Å
582	M	31.7	Very low	40.4	Very low	90 Å²	90	126 Å²	126	44%	0.443	63%	0.632	S	S	.	*			trans	-48.8	121.9	169.5	172.5	167.4	47.7	0	0	108.1	F580 V584 L586 R587	F580-M582 PolarHBondContact O-N 2.99Å; F580-M582 VanDerWaalsContact O-N 3.09Å; M582-V584 PolarHBondContact O-N 3.35Å; M582-L586 HydrophobicContact CG-CB 3.87Å; M582-L586 HydrophobicContact SD-CB 4.41Å; M582-R587 HydrophobicContact CE-CB 3.92Å; M582-R587 HydrophobicContact CE-CG 4.06Å; M582-R587 HydrophobicContact CG-CB 4.16Å; M582-R587 HydrophobicContact SD-CB 4.39Å
583	P	39.3	Very low	42.2	Very low	65 Å²	65	122.1 Å²	122.1	42%	0.422	62%	0.62	S	S	.	*			trans	-48.3	141.9	-176.7	-31.7	36.2	0	0	0	111.3	V581 E585 L586 R587	V581-P583 WeakPolarHBondContact O-CD 3.49Å; V581-P583 VanDerWaalsContact O-N 3.13Å; P583-E585 WeakPolarHBondContact CB-OE2 3.4Å; P583-E585 PolarHBondContact O-N 3.21Å; P583-E585 VanDerWaalsContact O-N 3.1Å; P583-L586 HydrophobicContact CB-CB 4.35Å; P583-L586 HydrophobicContact CG-CD1 4.14Å; P583-L586 CarbonylContact O-C 3.6Å; P583-L586 WeakPolarHBondContact O-CA 3.24Å; P583-L586 PolarHBondContact O-N 3.31Å; P583-R587 PolarHBondContact O-N 3.05Å
584	V	44.4	Very low	43.1	Very low	85 Å²	85	117.3 Å²	117.3	52%	0.515	60%	0.599	S	S	.	*	H	α-helix	trans	-59.8	-31	-172.8	177.1	0	0	0	0	110.4	M582 N588	M582-V584 PolarHBondContact O-N 3.35Å; V584-N588 WeakPolarHBondContact O-CB 3.41Å; V584-N588 PolarHBondContact O-N 3.07Å; V584-N588 PolarHBondContact O-ND2 2.83Å
585	E	51	Low	44.5	Very low	136 Å²	136	116.6 Å²	116.6	64%	0.636	59%	0.592	S	S	*	*	H	α-helix	trans	-60.1	-54.4	170.5	-57.1	68.1	-147.9	0	0	111.4	P583 N588 Q589	P583-E585 WeakPolarHBondContact CB-OE2 3.4Å; P583-E585 PolarHBondContact O-N 3.21Å; P583-E585 VanDerWaalsContact O-N 3.1Å; E585-N588 PolarHBondContact O-N 3.33Å; E585-Q589 VanDerWaalsContact O-CB 3.22Å; E585-Q589 WeakPolarHBondContact O-CB 3.37Å; E585-Q589 PolarHBondContact O-N 2.9Å
586	L	48.4	Very low	46	Very low	95 Å²	95	112.9 Å²	112.9	50%	0.497	58%	0.577	S	S	.	*	H	α-helix	trans	-67	-36.8	178.9	-83.5	171.7	0	0	0	112.5	M582 P583 Q589 F590	M582-L586 HydrophobicContact CG-CB 3.87Å; M582-L586 HydrophobicContact SD-CB 4.41Å; P583-L586 HydrophobicContact CB-CB 4.35Å; P583-L586 HydrophobicContact CG-CD1 4.14Å; P583-L586 CarbonylContact O-C 3.6Å; P583-L586 WeakPolarHBondContact O-CA 3.24Å; P583-L586 PolarHBondContact O-N 3.31Å; L586-Q589 PolarHBondContact O-N 2.74Å; L586-F590 VanDerWaalsContact O-CB 3.31Å; L586-F590 WeakPolarHBondContact O-CB 3.14Å; L586-F590 PolarHBondContact O-N 3.36Å
587	R	45.5	Very low	46.9	Very low	155 Å²	155	109.1 Å²	109.1	59%	0.585	57%	0.566	S	S	*	*	H	α-helix	trans	-62.6	-47.8	172.9	-178.7	179.1	178.2	-159.1	-1.3	110.6	M582 P583 Q589 F590 V591	M582-R587 HydrophobicContact CE-CB 3.92Å; M582-R587 HydrophobicContact CE-CG 4.06Å; M582-R587 HydrophobicContact CG-CB 4.16Å; M582-R587 HydrophobicContact SD-CB 4.39Å; P583-R587 PolarHBondContact O-N 3.05Å; R587-Q589 VanDerWaalsContact C-N 3.32Å; R587-Q589 PolarHBondContact O-N 3.15Å; R587-F590 PolarHBondContact O-N 3.31Å; R587-V591 WeakPolarHBondContact O-CB 3.49Å; R587-V591 VanDerWaalsContact O-CG2 3.28Å; R587-V591 WeakPolarHBondContact O-CG2 3.23Å; R587-V591 PolarHBondContact O-N 2.84Å
588	N	62.7	Low	47.5	Very low	90 Å²	90	109.7 Å²	109.7	48%	0.481	56%	0.563	S	S	.	*	H	α-helix	trans	-69.3	-30.7	178.9	-69.9	-16.6	0	0	0	112.1	V584 E585 K592	V584-N588 WeakPolarHBondContact O-CB 3.41Å; V584-N588 PolarHBondContact O-N 3.07Å; V584-N588 PolarHBondContact O-ND2 2.83Å; E585-N588 PolarHBondContact O-N 3.33Å; N588-K592 VanDerWaalsContact O-CB 3.32Å; N588-K592 WeakPolarHBondContact O-CB 3.31Å; N588-K592 WeakPolarHBondContact O-CG 3.47Å; N588-K592 PolarHBondContact O-N 2.77Å
589	Q	63.3	Low	48.4	Very low	111 Å²	111	106.3 Å²	106.3	52%	0.519	55%	0.551	S	S	.	*	H	α-helix	trans	-74.5	-39.9	175.2	-167.7	169.5	14.1	0	0	111.7	E585 L586 R587 K592 N593	E585-Q589 VanDerWaalsContact O-CB 3.22Å; E585-Q589 WeakPolarHBondContact O-CB 3.37Å; E585-Q589 PolarHBondContact O-N 2.9Å; L586-Q589 PolarHBondContact O-N 2.74Å; R587-Q589 VanDerWaalsContact C-N 3.32Å; R587-Q589 PolarHBondContact O-N 3.15Å; Q589-K592 PolarHBondContact O-N 3.3Å; Q589-N593 WeakPolarHBondContact O-CB 3.35Å; Q589-N593 PolarHBondContact O-N 3.14Å; Q589-N593 PolarHBondContact O-OD1 3.23Å
590	F	52.7	Low	48.9	Very low	122 Å²	122	102.6 Å²	102.6	54%	0.535	55%	0.547	S	S	.	.	H	α-helix	trans	-61.5	-47.7	170.1	-176.7	-96.8	0	0	0	110.9	L586 R587 K592 N593 L594	L586-F590 VanDerWaalsContact O-CB 3.31Å; L586-F590 WeakPolarHBondContact O-CB 3.14Å; L586-F590 PolarHBondContact O-N 3.36Å; R587-F590 PolarHBondContact O-N 3.31Å; F590-K592 PolarHBondContact O-N 2.99Å; F590-N593 PolarHBondContact O-N 3.07Å; F590-L594 HydrophobicContact CE1-CD1 4.4Å; F590-L594 HydrophobicContact CZ-CD1 4.27Å; F590-L594 WeakPolarHBondContact O-CB 3.4Å; F590-L594 PolarHBondContact O-N 3.43Å
591	V	61.9	Low	49.4	Very low	59 Å²	59	103.3 Å²	103.3	36%	0.358	54%	0.544	S	S	.	.	H	α-helix	trans	-60.9	-42.7	175.5	169.6	0	0	0	0	111.8	R587 L594 Q595	R587-V591 WeakPolarHBondContact O-CB 3.49Å; R587-V591 VanDerWaalsContact O-CG2 3.28Å; R587-V591 WeakPolarHBondContact O-CG2 3.23Å; R587-V591 PolarHBondContact O-N 2.84Å; V591-L594 PolarHBondContact O-N 3.33Å; V591-Q595 HydrophobicContact CG1-CG 4.39Å; V591-Q595 WeakPolarHBondContact O-CB 3.42Å; V591-Q595 VanDerWaalsContact O-CG 3.27Å; V591-Q595 WeakPolarHBondContact O-CG 3.17Å; V591-Q595 PolarHBondContact O-N 2.8Å
592	K	66.6	Low	49.7	Very low	150 Å²	150	106.6 Å²	106.6	65%	0.652	55%	0.55	S	S	*	.	H	α-helix	trans	-61.6	-45.5	173.6	-90	-172.9	170.9	-175.4	0	112.5	N588 Q589 F590 L594 Q595 S596	N588-K592 VanDerWaalsContact O-CB 3.32Å; N588-K592 WeakPolarHBondContact O-CB 3.31Å; N588-K592 WeakPolarHBondContact O-CG 3.47Å; N588-K592 PolarHBondContact O-N 2.77Å; Q589-K592 PolarHBondContact O-N 3.3Å; F590-K592 PolarHBondContact O-N 2.99Å; K592-L594 VanDerWaalsContact C-N 3.34Å; K592-Q595 PolarHBondContact O-N 2.78Å; K592-S596 WeakPolarHBondContact O-CB 3.28Å; K592-S596 PolarHBondContact O-N 3.5Å
593	N	64.9	Low	49.8	Very low	101 Å²	101	115.1 Å²	115.1	54%	0.54	59%	0.589	S	S	.	*	H	α-helix	trans	-64.6	-41	179.4	-69.7	-3.1	0	0	0	110.9	Q589 F590 S596 A597	Q589-N593 WeakPolarHBondContact O-CB 3.35Å; Q589-N593 PolarHBondContact O-N 3.14Å; Q589-N593 PolarHBondContact O-OD1 3.23Å; F590-N593 PolarHBondContact O-N 3.07Å; N593-S596 PolarHBondContact O-N 3.38Å; N593-A597 WeakPolarHBondContact O-CB 3.44Å; N593-A597 PolarHBondContact O-N 2.73Å
594	L	49.1	Very low	50.3	Low	87 Å²	87	117.7 Å²	117.7	46%	0.455	60%	0.597	S	S	.	*	H	α-helix	trans	-63.8	-45.2	174.9	-152.5	83.2	0	0	0	111.3	F590 V591 K592 S596 A597 L598	F590-L594 HydrophobicContact CE1-CD1 4.4Å; F590-L594 HydrophobicContact CZ-CD1 4.27Å; F590-L594 WeakPolarHBondContact O-CB 3.4Å; F590-L594 PolarHBondContact O-N 3.43Å; V591-L594 PolarHBondContact O-N 3.33Å; K592-L594 VanDerWaalsContact C-N 3.34Å; L594-S596 VanDerWaalsContact C-N 3.34Å; L594-S596 PolarHBondContact O-N 2.96Å; L594-A597 PolarHBondContact O-N 3.03Å; L594-L598 HydrophobicContact CD2-CD1 4.09Å; L594-L598 HydrophobicContact CG-CD1 3.93Å; L594-L598 VanDerWaalsContact O-CB 3.28Å; L594-L598 WeakPolarHBondContact O-CB 3.43Å; L594-L598 WeakPolarHBondContact O-CG 3.47Å; L594-L598 PolarHBondContact O-N 2.81Å
595	Q	57.5	Low	50.7	Low	121 Å²	121	119.4 Å²	119.4	57%	0.565	60%	0.602	S	S	*	*	H	α-helix	trans	-63.5	-36.8	174.8	-76.1	175.8	-22.4	0	0	112.5	V591 K592 S599	V591-Q595 HydrophobicContact CG1-CG 4.39Å; V591-Q595 WeakPolarHBondContact O-CB 3.42Å; V591-Q595 VanDerWaalsContact O-CG 3.27Å; V591-Q595 WeakPolarHBondContact O-CG 3.17Å; V591-Q595 PolarHBondContact O-N 2.8Å; K592-Q595 PolarHBondContact O-N 2.78Å; Q595-S599 WeakPolarHBondContact O-CB 3.39Å; Q595-S599 PolarHBondContact O-N 3.06Å; Q595-S599 PolarHBondContact O-OG 3.28Å
596	S	57.6	Low	50.6	Low	55 Å²	55	118.4 Å²	118.4	39%	0.385	60%	0.6	S	S	.	*	H	α-helix	trans	-69.1	-39.6	176.5	-153.8	0	0	0	0	111.7	K592 N593 L594 S599	K592-S596 WeakPolarHBondContact O-CB 3.28Å; K592-S596 PolarHBondContact O-N 3.5Å; N593-S596 PolarHBondContact O-N 3.38Å; L594-S596 VanDerWaalsContact C-N 3.34Å; L594-S596 PolarHBondContact O-N 2.96Å; S596-S599 PolarHBondContact O-OG 3.11Å
597	A	46.2	Very low	50.8	Low	64 Å²	64	119.8 Å²	119.8	53%	0.529	61%	0.606	S	S	.	*	H	α-helix	trans	-69	-42	175.1	0	0	0	0	0	112.4	N593 L594	N593-A597 WeakPolarHBondContact O-CB 3.44Å; N593-A597 PolarHBondContact O-N 2.73Å; L594-A597 PolarHBondContact O-N 3.03Å
598	L	39	Very low	51.1	Low	135 Å²	135	117.6 Å²	117.6	71%	0.707	61%	0.607	S	S	*	*	H	α-helix	trans	-75.7	-23.8	-178.8	-70.6	169.7	0	0	0	113.8	L594 G600	L594-L598 HydrophobicContact CD2-CD1 4.09Å; L594-L598 HydrophobicContact CG-CD1 3.93Å; L594-L598 VanDerWaalsContact O-CB 3.28Å; L594-L598 WeakPolarHBondContact O-CB 3.43Å; L594-L598 WeakPolarHBondContact O-CG 3.47Å; L594-L598 PolarHBondContact O-N 2.81Å; L598-G600 VanDerWaalsContact C-N 3.31Å
599	S	50.7	Low	50.3	Low	71 Å²	71	119.5 Å²	119.5	50%	0.497	62%	0.615	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.7	2.9	178.8	58.5	0	0	0	0	114.5	Q595 S596 R601	Q595-S599 WeakPolarHBondContact O-CB 3.39Å; Q595-S599 PolarHBondContact O-N 3.06Å; Q595-S599 PolarHBondContact O-OG 3.28Å; S596-S599 PolarHBondContact O-OG 3.11Å; S599-R601 PolarHBondContact O-N 3.18Å
600	G	37.5	Very low	49.4	Very low	67 Å²	67	120.1 Å²	120.1	69%	0.691	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	66.1	5.4	176.4	0	0	0	0	0	115.4	L598 F602	L598-G600 VanDerWaalsContact C-N 3.31Å; G600-F602 PolarHBondContact O-N 3.14Å
601	R	36.7	Very low	49.2	Very low	205 Å²	205	119.9 Å²	119.9	77%	0.774	63%	0.629	S	S	*	*			trans	-98	79.5	-175.9	-70.9	-178	-178.9	-170	0.4	111.6	S599	S599-R601 PolarHBondContact O-N 3.18Å
602	F	37.8	Very low	48.1	Very low	174 Å²	174	125 Å²	125	76%	0.763	65%	0.652	S	S	*	*			trans	-85	146.8	147.8	-77.8	-89.1	0	0	0	109.2	G600	G600-F602 PolarHBondContact O-N 3.14Å
603	Q	33.6	Very low	46.4	Very low	270 Å²	270	122.7 Å²	122.7	100%	1.262	65%	0.652	S	S	*	*			trans	-89.9	0	170.1	-63.3	-173	-79.4	0	0	110.3

Retrieved 603 of 603 residues in 646.1 ms (Link to these results)

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