A0A3Q0KM24_SCHMA Loading...

Homeobox domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KM24, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 451 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	27.7	Very low	25.2	Very low	209 Å²	209	154.4 Å²	154.4	100%	1.03	79%	0.785	S	S	*	*				0	115.7	0	-70	-64.7	175.3	0	0	106.5	N3	M1-N3 PolarHBondContact O-N 3.12Å
2	P	28.9	Very low	25.1	Very low	128 Å²	128	154.9 Å²	154.9	83%	0.831	78%	0.782	S	S	*	*			trans	-72.6	128	167	31	-26.8	0	0	0	107.2	K4	P2-K4 PolarHBondContact O-N 3.01Å; P2-K4 VanDerWaalsContact O-N 3.12Å
3	N	26	Very low	24.9	Very low	133 Å²	133	153.6 Å²	153.6	71%	0.711	78%	0.779	S	S	*	*			trans	-54.1	110.2	-168.2	-65.6	-25.1	0	0	0	112	M1 F5	M1-N3 PolarHBondContact O-N 3.12Å; N3-F5 HydrophobicContact CB-CD2 4.25Å; N3-F5 HydrophobicContact CB-CE2 3.87Å; N3-F5 HydrophobicContact CB-CZ 4.48Å; N3-F5 PolarHBondContact O-N 2.88Å
4	K	23.8	Very low	24.8	Very low	198 Å²	198	149.9 Å²	149.9	86%	0.861	77%	0.774	S	S	*	*			trans	-86.9	95.2	168.8	-157.9	-179.5	-173.1	-171.6	0	106	P2 M6	P2-K4 PolarHBondContact O-N 3.01Å; P2-K4 VanDerWaalsContact O-N 3.12Å; K4-M6 PolarHBondContact O-N 3.11Å
5	F	27.5	Very low	24.8	Very low	166 Å²	166	152.1 Å²	152.1	73%	0.728	79%	0.785	S	S	*	*			trans	-70.2	107.1	170.1	-73.4	-84.2	0	0	0	107.7	N3	N3-F5 HydrophobicContact CB-CD2 4.25Å; N3-F5 HydrophobicContact CB-CE2 3.87Å; N3-F5 HydrophobicContact CB-CZ 4.48Å; N3-F5 PolarHBondContact O-N 2.88Å
6	M	21.5	Very low	24.8	Very low	171 Å²	171	153.1 Å²	153.1	84%	0.842	79%	0.785	S	S	*	*			trans	-81.9	115.4	162.2	-110.8	178.2	159.5	0	0	106.2	K4	K4-M6 PolarHBondContact O-N 3.11Å
7	I	25.9	Very low	25	Very low	147 Å²	147	155.7 Å²	155.7	75%	0.754	79%	0.789	S	S	*	*			trans	-102.1	104.4	163.7	-61.7	177	0	0	0	104.7
8	T	24.3	Very low	25.1	Very low	122 Å²	122	149.8 Å²	149.8	75%	0.748	76%	0.764	S	S	*	*			trans	-69.8	131.2	173.2	3.6	0	0	0	0	109.1
9	E	23.1	Very low	25.4	Very low	137 Å²	137	145.4 Å²	145.4	64%	0.64	75%	0.749	S	S	*	*			trans	-61.5	130.2	173.2	-72.6	178.3	128.1	0	0	111.1	K155	E9-K155 IonicContact OE1-NZ 3.42Å; E9-K155 PolarHBondContact OE1-NZ 3.36Å
10	I	25.2	Very low	25.6	Very low	160 Å²	160	141.6 Å²	141.6	82%	0.821	73%	0.729	S	S	*	*			trans	-126.2	94.2	151.8	-58.5	178.1	0	0	0	105.2
11	L	23	Very low	25.8	Very low	127 Å²	127	138.4 Å²	138.4	67%	0.665	72%	0.716	S	S	*	*			trans	-83.2	120.4	155.7	-79.9	159.1	0	0	0	105.4
12	Q	24	Very low	25.9	Very low	161 Å²	161	132.4 Å²	132.4	75%	0.752	69%	0.688	S	S	*	*			trans	-178.9	130	130.5	-139.7	86.8	-1.2	0	0	108
13	D	22.7	Very low	25.8	Very low	138 Å²	138	131.2 Å²	131.2	74%	0.738	67%	0.674	S	S	*	*			trans	9.2	137.9	156	-56.3	-40.5	0	0	0	120.7
14	S	24	Very low	25.9	Very low	102 Å²	102	131.6 Å²	131.6	71%	0.713	68%	0.676	S	S	*	*	S	Bend	trans	98.1	117.6	166.3	-40.9	0	0	0	0	114.9	E16	S14-E16 WeakPolarHBondContact O-CG 3.44Å; S14-E16 PolarHBondContact O-N 3.36Å
15	I	25.1	Very low	26	Very low	183 Å²	183	132 Å²	132	94%	0.938	68%	0.678	S	S	*	*			trans	3	78.7	158.6	-46.5	172.5	0	0	0	115
16	E	24.3	Very low	26.1	Very low	168 Å²	168	127.2 Å²	127.2	79%	0.785	67%	0.666	S	S	*	*			trans	-124.9	122	175.2	-82.7	-170.8	174.2	0	0	112.2	S14 S18	S14-E16 WeakPolarHBondContact O-CG 3.44Å; S14-E16 PolarHBondContact O-N 3.36Å; E16-S18 PolarHBondContact O-N 3.49Å
17	K	28	Very low	26.4	Very low	197 Å²	197	124.1 Å²	124.1	86%	0.857	66%	0.656	S	S	*	*			trans	-63.4	96.4	172.5	-69.3	172.4	179.6	172.9	0	108.7	S19	K17-S19 PolarHBondContact O-N 3.26Å; K17-S19 VanDerWaalsContact O-N 3.07Å
18	S	27	Very low	26.4	Very low	49 Å²	49	122.5 Å²	122.5	34%	0.343	65%	0.65	S	S	.	*			trans	-74.9	95.6	172.6	59.1	0	0	0	0	110.7	E16 I20 I37 R158	E16-S18 PolarHBondContact O-N 3.49Å; S18-I20 PolarHBondContact O-N 3.4Å; S18-I37 VanDerWaalsContact O-O 3.06Å; S18-I37 PolarHBondContact OG-O 3.49Å; S18-R158 PolarHBondContact OG-NH1 3.04Å
19	S	30.1	Very low	26.7	Very low	67 Å²	67	123.9 Å²	123.9	47%	0.469	66%	0.658	S	S	.	*			trans	-75.6	117.2	167.3	57.3	0	0	0	0	110.2	K17 T21	K17-S19 PolarHBondContact O-N 3.26Å; K17-S19 VanDerWaalsContact O-N 3.07Å; S19-T21 PolarHBondContact O-N 2.8Å
20	I	30.3	Very low	26.9	Very low	69 Å²	69	122 Å²	122	35%	0.354	66%	0.656	S	S	.	*			trans	-94.6	92.4	170	-60.2	178.9	0	0	0	107.7	S18 L22 I37 L162	S18-I20 PolarHBondContact O-N 3.4Å; I20-L22 PolarHBondContact O-N 3.22Å; I20-L22 VanDerWaalsContact O-N 3.15Å; I20-I37 HydrophobicContact CD1-CD1 4.15Å; I20-L162 HydrophobicContact CD1-CD1 4.46Å; I20-L162 HydrophobicContact CD1-CD2 4.43Å
21	T	30.2	Very low	27	Very low	74 Å²	74	118.8 Å²	118.8	45%	0.454	65%	0.645	S	S	.	*			trans	-70.4	104.9	167	14	0	0	0	0	109	S19 N23 T34	S19-T21 PolarHBondContact O-N 2.8Å; T21-N23 PolarHBondContact O-N 3.48Å; T21-T34 HydrophobicContact CG2-CG2 3.85Å
22	L	28.9	Very low	27.2	Very low	83 Å²	83	118.3 Å²	118.3	44%	0.435	64%	0.643	S	S	.	*			trans	-70.8	78.6	164.7	-79	166.7	0	0	0	108.8	I20 N24 Y35	I20-L22 PolarHBondContact O-N 3.22Å; I20-L22 VanDerWaalsContact O-N 3.15Å; L22-N24 VanDerWaalsContact C-N 3.33Å; L22-N24 PolarHBondContact O-N 3.48Å; L22-Y35 HydrophobicContact CD1-CD2 3.83Å; L22-Y35 HydrophobicContact CD1-CE2 4.07Å
23	N	27.2	Very low	27.6	Very low	103 Å²	103	113.4 Å²	113.4	55%	0.551	62%	0.621	S	S	*	*			trans	-72.3	88.2	173.6	-79	-11.5	0	0	0	109.7	T21 F25	T21-N23 PolarHBondContact O-N 3.48Å; N23-F25 PolarHBondContact O-N 3.47Å; N23-F25 VanDerWaalsContact O-N 3.11Å
24	N	28.2	Very low	28.1	Very low	141 Å²	141	108.4 Å²	108.4	75%	0.754	60%	0.596	S	S	*	*			trans	-70.5	100.1	157.6	-86	-19.4	0	0	0	107.9	L22 S26	L22-N24 VanDerWaalsContact C-N 3.33Å; L22-N24 PolarHBondContact O-N 3.48Å; N24-S26 PolarHBondContact O-N 3.11Å
25	F	25.7	Very low	28.6	Very low	206 Å²	206	106.2 Å²	106.2	90%	0.904	57%	0.572	S	S	*	*			trans	-62.7	85.1	162.1	-92.7	-90.1	0	0	0	108.9	N23	N23-F25 PolarHBondContact O-N 3.47Å; N23-F25 VanDerWaalsContact O-N 3.11Å
26	S	28.5	Very low	29.1	Very low	67 Å²	67	101.6 Å²	101.6	47%	0.469	55%	0.546	S	S	.	.			trans	-117.2	121.4	156.7	-166.5	0	0	0	0	107.8	N24 D28	N24-S26 PolarHBondContact O-N 3.11Å; S26-D28 PolarHBondContact O-N 3.14Å
27	T	28	Very low	29.5	Very low	105 Å²	105	94.9 Å²	94.9	64%	0.644	52%	0.515	S	S	*	.			trans	-73.2	66.5	167.5	54.4	0	0	0	0	108.4	R324	T27-R324 PolarHBondContact OG1-NH2 3.23Å
28	D	27.4	Very low	29.7	Very low	114 Å²	114	86.7 Å²	86.7	61%	0.61	48%	0.483	S	S	*	.	S	Bend	trans	-151.8	135.5	172.6	-80.8	-40.7	0	0	0	107.6	S26 T30	S26-D28 PolarHBondContact O-N 3.14Å; D28-T30 PolarHBondContact O-N 3.25Å; D28-T30 PolarHBondContact O-OG1 3.07Å; D28-T30 VanDerWaalsContact O-OG1 3.05Å
29	T	29.4	Very low	29.9	Very low	151 Å²	151	87.4 Å²	87.4	93%	0.926	49%	0.488	S	S	*	.			trans	-59.9	60.5	-173.6	50.2	0	0	0	0	114
30	T	27.3	Very low	30.2	Very low	97 Å²	97	87.2 Å²	87.2	60%	0.595	48%	0.483	S	S	*	.			trans	-110.8	132.3	-177.2	46.8	0	0	0	0	109.8	D28 L32	D28-T30 PolarHBondContact O-N 3.25Å; D28-T30 PolarHBondContact O-OG1 3.07Å; D28-T30 VanDerWaalsContact O-OG1 3.05Å; T30-L32 PolarHBondContact O-N 2.97Å
31	P	28	Very low	30.5	Very low	92 Å²	92	89 Å²	89	60%	0.597	50%	0.503	S	S	*	.			trans	-64.4	125.7	-174.4	25.3	-32.1	0	0	0	110.4	L33 S94	P31-L33 PolarHBondContact O-N 2.97Å; P31-S94 WeakPolarHBondContact CB-OG 3.43Å; P31-S94 WeakPolarHBondContact CG-OG 3.31Å
32	L	27.9	Very low	30.9	Very low	118 Å²	118	88.7 Å²	88.7	62%	0.618	50%	0.503	S	S	*	.			trans	-68	114.9	179.1	-74.9	161.3	0	0	0	109.7	T30	T30-L32 PolarHBondContact O-N 2.97Å
33	L	31.6	Very low	31.2	Very low	57 Å²	57	93.8 Å²	93.8	30%	0.298	52%	0.524	S	S	.	.			trans	-87.9	108	170.6	-164.2	65.6	0	0	0	108.3	P31 Y35 L90	P31-L33 PolarHBondContact O-N 2.97Å; L33-Y35 HydrophobicContact CB-CE2 4.29Å; L33-Y35 HydrophobicContact CD2-CE1 4.41Å; L33-Y35 HydrophobicContact CD2-CE2 3.9Å; L33-Y35 WeakPolarHBondContact CD2-OH 3.34Å; L33-Y35 HydrophobicContact CG-CE2 3.96Å; L33-L90 HydrophobicContact CD1-CD2 3.96Å; L33-L90 HydrophobicContact CD2-CD2 4.06Å; L33-L90 HydrophobicContact CG-CD2 3.89Å
34	T	32.9	Very low	31.5	Very low	33 Å²	33	96.3 Å²	96.3	20%	0.202	53%	0.533	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	126.5	-179.4	-48.7	0	0	0	0	109.8	T21 F36 C91	T21-T34 HydrophobicContact CG2-CG2 3.85Å; T34-F36 HydrophobicContact CG2-CD2 4.28Å; T34-F36 HydrophobicContact CG2-CE1 4.24Å; T34-F36 HydrophobicContact CG2-CE2 3.48Å; T34-F36 VanDerWaalsContact CG2-CE2 3.48Å; T34-F36 HydrophobicContact CG2-CZ 3.44Å; T34-F36 VanDerWaalsContact CG2-CZ 3.44Å; T34-C91 PolarHBondContact N-O 3.28Å; T34-C91 PolarHBondContact O-N 3.32Å; T34-C91 VanDerWaalsContact O-N 3.16Å
35	Y	34.1	Very low	31.4	Very low	56 Å²	56	94.3 Å²	94.3	22%	0.22	53%	0.527	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	141.7	176.1	-61.4	-96.6	0	0	0	109.8	L22 L33 G89 L90 F165	L22-Y35 HydrophobicContact CD1-CD2 3.83Å; L22-Y35 HydrophobicContact CD1-CE2 4.07Å; L33-Y35 HydrophobicContact CB-CE2 4.29Å; L33-Y35 HydrophobicContact CD2-CE1 4.41Å; L33-Y35 HydrophobicContact CD2-CE2 3.9Å; L33-Y35 WeakPolarHBondContact CD2-OH 3.34Å; L33-Y35 HydrophobicContact CG-CE2 3.96Å; Y35-G89 WeakPolarHBondContact CA-O 3.41Å; Y35-L90 HydrophobicContact CD1-CD2 3.56Å; Y35-L90 HydrophobicContact CE1-CD2 3.31Å; Y35-L90 HydrophobicContact CG-CD2 4.35Å; Y35-F165 HydrophobicContact CD1-CZ 4.47Å; Y35-F165 HydrophobicContact CE1-CZ 4.21Å
36	F	36	Very low	31.6	Very low	87 Å²	87	91.6 Å²	91.6	38%	0.382	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	138.6	171.9	-61.2	-90	0	0	0	109.1	T34 G89 C91	T34-F36 HydrophobicContact CG2-CD2 4.28Å; T34-F36 HydrophobicContact CG2-CE1 4.24Å; T34-F36 HydrophobicContact CG2-CE2 3.48Å; T34-F36 VanDerWaalsContact CG2-CE2 3.48Å; T34-F36 HydrophobicContact CG2-CZ 3.44Å; T34-F36 VanDerWaalsContact CG2-CZ 3.44Å; F36-G89 PolarHBondContact N-O 3.49Å; F36-G89 PolarHBondContact O-N 3.01Å; F36-C91 HydrophobicContact CE2-CB 4.11Å
37	I	32.1	Very low	31.6	Very low	27 Å²	27	93.3 Å²	93.3	14%	0.138	53%	0.528	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	110.4	175.1	-58.9	-178.1	0	0	0	108.1	S18 I20 I86 Q87 L162	S18-I37 VanDerWaalsContact O-O 3.06Å; S18-I37 PolarHBondContact OG-O 3.49Å; I20-I37 HydrophobicContact CD1-CD1 4.15Å; I37-I86 HydrophobicContact CG2-CG2 4.13Å; I37-Q87 WeakPolarHBondContact CA-O 3.48Å; I37-L162 HydrophobicContact CD1-CD2 3.81Å
38	S	32.5	Very low	31.9	Very low	25 Å²	25	91.2 Å²	91.2	18%	0.175	52%	0.515	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	147.3	171.2	77.7	0	0	0	0	110.3	I86 Q87	S38-I86 WeakPolarHBondContact O-CA 3.17Å; S38-Q87 PolarHBondContact N-O 3.33Å; S38-Q87 PolarHBondContact O-N 2.91Å; S38-Q87 VanDerWaalsContact OG-CB 3.26Å; S38-Q87 WeakPolarHBondContact OG-CB 3.34Å; S38-Q87 VanDerWaalsContact OG-CG 3.3Å; S38-Q87 WeakPolarHBondContact OG-CG 3.33Å; S38-Q87 PolarHBondContact OG-OE1 3.31Å
39	S	30.7	Very low	32.2	Very low	64 Å²	64	90 Å²	90	45%	0.448	51%	0.508	S	S	.	.			trans	-107.7	132.6	169.7	60.3	0	0	0	0	111.1	G85 R158	S39-G85 WeakPolarHBondContact CA-O 3.47Å; S39-R158 VanDerWaalsContact CB-NH2 3.25Å; S39-R158 PolarHBondContact OG-NH2 3.42Å
40	T	38.2	Very low	32.5	Very low	62 Å²	62	85 Å²	85	38%	0.38	48%	0.479	S	S	.	.			trans	-126.8	137	175.2	57	0	0	0	0	110	G85	T40-G85 PolarHBondContact O-N 3.02Å
41	S	35.6	Very low	32.9	Very low	108 Å²	108	83 Å²	83	76%	0.755	47%	0.467	S	S	*	.			trans	-100.4	126.5	166.4	69.8	0	0	0	0	108.7	H83	S41-H83 WeakPolarHBondContact CA-O 3.28Å
42	S	39.7	Very low	33.3	Very low	66 Å²	66	82 Å²	82	46%	0.462	46%	0.456	S	S	.	.			trans	-135.2	151.2	178.7	75.5	0	0	0	0	112.1	H44 H83	S42-H44 PolarHBondContact O-N 3.28Å; S42-H83 PolarHBondContact O-CD2 3.25Å; S42-H83 PolarHBondContact O-ND1 2.88Å; S42-H83 PolarHBondContact O-NE2 3.14Å
43	H	33.2	Very low	33.6	Very low	191 Å²	191	81.3 Å²	81.3	88%	0.884	45%	0.453	S	S	*	.	S	Bend	trans	-86.5	24.4	-171	-83.6	-66	0	0	0	115.6
44	H	33.9	Very low	33.6	Very low	156 Å²	156	80.5 Å²	80.5	72%	0.722	45%	0.452	S	S	*	.			trans	-120.7	127.5	-176.8	-102	-64	0	0	0	113.9	S42 Q46 H83	S42-H44 PolarHBondContact O-N 3.28Å; H44-Q46 PolarHBondContact O-N 3.31Å; H44-H83 PolarHBondContact O-CE1 2.91Å
45	P	26.2	Very low	33.2	Very low	99 Å²	99	86.3 Å²	86.3	64%	0.643	48%	0.481	S	S	*	.			trans	-91.7	83.2	-169.4	36.1	-32.8	0	0	0	111.3
46	Q	30.2	Very low	32.9	Very low	149 Å²	149	89.5 Å²	89.5	70%	0.696	51%	0.506	S	S	*	.			trans	-151.9	130.8	161.5	-66.9	-166.3	-11.5	0	0	109.6	H44 T48	H44-Q46 PolarHBondContact O-N 3.31Å; Q46-T48 HydrophobicContact CB-CG2 3.8Å; Q46-T48 PolarHBondContact O-N 2.98Å
47	C	29.3	Very low	32.3	Very low	102 Å²	102	90.1 Å²	90.1	69%	0.689	52%	0.521	S	S	*	.			trans	-71.6	95.1	170.3	-159.7	0	0	0	0	107.8	S71	C47-S71 PolarHBondContact SG-O 3.17Å
48	T	32.8	Very low	32	Very low	62 Å²	62	95.6 Å²	95.6	38%	0.38	55%	0.551	S	S	.	*			trans	-116.1	126	-177	49.1	0	0	0	0	109.9	Q46	Q46-T48 HydrophobicContact CB-CG2 3.8Å; Q46-T48 PolarHBondContact O-N 2.98Å
49	I	34	Very low	31.7	Very low	87 Å²	87	101.7 Å²	101.7	45%	0.446	58%	0.581	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.6	107.6	160.3	-61.2	172.1	0	0	0	105	P108	I49-P108 HydrophobicContact CD1-CB 4.34Å; I49-P108 HydrophobicContact CG2-CB 4.39Å
50	S	35.5	Very low	31.6	Very low	47 Å²	47	103.8 Å²	103.8	33%	0.329	60%	0.596	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.3	124.3	176.5	58.8	0	0	0	0	109.7	T69	S50-T69 PolarHBondContact N-O 3.26Å; S50-T69 PolarHBondContact O-N 2.85Å
51	T	35.9	Very low	31.1	Very low	55 Å²	55	108.4 Å²	108.4	34%	0.337	62%	0.618	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.1	116.3	167.8	-51.1	0	0	0	0	107.9	I66 H68	T51-I66 HydrophobicContact CG2-CG2 4.33Å; T51-H68 PolarHBondContact OG1-CE1 3.47Å; T51-H68 VanDerWaalsContact OG1-CE1 3.31Å; T51-H68 PolarHBondContact OG1-ND1 2.91Å
52	I	37.8	Very low	30.7	Very low	72 Å²	72	108.5 Å²	108.5	37%	0.369	62%	0.619	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.9	109	172.4	-59	172.8	0	0	0	107.1	Q67	I52-Q67 HydrophobicContact CB-CB 4.21Å; I52-Q67 PolarHBondContact N-O 3.03Å; I52-Q67 PolarHBondContact O-N 3.48Å; I52-Q67 VanDerWaalsContact O-N 3.1Å
53	N	33	Very low	30.5	Very low	103 Å²	103	108.6 Å²	108.6	55%	0.551	62%	0.62	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-89.7	98.3	165.8	-75	-9.4	0	0	0	107.8	L55	N53-L55 PolarHBondContact O-N 3.41Å
54	S	31.4	Very low	30.6	Very low	39 Å²	39	102.8 Å²	102.8	27%	0.273	60%	0.596	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.5	89.9	171.1	72.2	0	0	0	0	109.5	T56 S65	S54-T56 VanDerWaalsContact C-N 3.27Å; S54-T56 PolarHBondContact O-N 3.38Å; S54-S65 PolarHBondContact OG-OG 3.41Å
55	L	25.3	Very low	30.9	Very low	155 Å²	155	96.7 Å²	96.7	81%	0.812	57%	0.57	S	S	*	*			trans	-80.2	81.8	156.8	-83.7	102.7	0	0	0	107.7	N53 S57	N53-L55 PolarHBondContact O-N 3.41Å; L55-S57 VanDerWaalsContact C-N 3.32Å; L55-S57 PolarHBondContact O-N 3.43Å; L55-S57 VanDerWaalsContact O-N 3.1Å
56	T	28.1	Very low	31.5	Very low	123 Å²	123	93.5 Å²	93.5	76%	0.755	55%	0.547	S	S	*	.			trans	-81.4	87.1	168.7	50.3	0	0	0	0	108.5	S54 N58	S54-T56 VanDerWaalsContact C-N 3.27Å; S54-T56 PolarHBondContact O-N 3.38Å; T56-N58 PolarHBondContact O-N 2.97Å
57	S	23.4	Very low	32.1	Very low	100 Å²	100	89.4 Å²	89.4	70%	0.699	53%	0.528	S	S	*	.			trans	-67.2	109	154.5	61.1	0	0	0	0	107.1	L55	L55-S57 VanDerWaalsContact C-N 3.32Å; L55-S57 PolarHBondContact O-N 3.43Å; L55-S57 VanDerWaalsContact O-N 3.1Å
58	N	25.2	Very low	32.7	Very low	143 Å²	143	85.5 Å²	85.5	77%	0.765	50%	0.5	S	S	*	.	S	Bend	trans	165.1	122.6	142.3	-78.6	-17.4	0	0	0	108.7	T56	T56-N58 PolarHBondContact O-N 2.97Å
59	N	26.9	Very low	33.1	Very low	152 Å²	152	83.1 Å²	83.1	81%	0.813	49%	0.485	S	S	*	.	S	Bend	trans	75.7	101.5	173.8	-59.4	-17.4	0	0	0	116.8
60	S	27.6	Very low	33.3	Very low	109 Å²	109	79.8 Å²	79.8	76%	0.762	47%	0.468	S	S	*	.	S	Bend	trans	33.7	108.3	151.2	55.3	0	0	0	0	117.7
61	N	29.1	Very low	33.3	Very low	158 Å²	158	78.8 Å²	78.8	85%	0.845	46%	0.461	S	S	*	.			trans	104.8	67.3	178.7	-58.3	-18.8	0	0	0	113.9	S63	N61-S63 PolarHBondContact O-N 2.82Å; N61-S63 VanDerWaalsContact O-N 3.09Å
62	S	27	Very low	33.1	Very low	110 Å²	110	78.1 Å²	78.1	77%	0.769	45%	0.454	S	S	*	.			trans	-74.3	92.3	176.9	55.5	0	0	0	0	111.8
63	S	34.6	Very low	32.9	Very low	69 Å²	69	77.5 Å²	77.5	48%	0.483	45%	0.451	S	S	.	.			trans	-93.4	115.2	163.1	44.5	0	0	0	0	108.8	N61 S65	N61-S63 PolarHBondContact O-N 2.82Å; N61-S63 VanDerWaalsContact O-N 3.09Å; S63-S65 PolarHBondContact O-N 2.87Å
64	N	35.2	Very low	32.9	Very low	69 Å²	69	74.6 Å²	74.6	37%	0.369	44%	0.435	S	S	.	.			trans	-65.4	117	172.5	-76.1	-14.7	0	0	0	108	L95 N96	N64-L95 WeakPolarHBondContact O-CD1 3.48Å; N64-N96 PolarHBondContact ND2-OD1 2.81Å
65	S	39.4	Very low	33	Very low	27 Å²	27	79.7 Å²	79.7	19%	0.189	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	125.4	176.6	94	0	0	0	0	110.4	S54 S63 L90	S54-S65 PolarHBondContact OG-OG 3.41Å; S63-S65 PolarHBondContact O-N 2.87Å; S65-L90 WeakPolarHBondContact CA-O 3.31Å
66	I	39.7	Very low	33.3	Very low	32 Å²	32	75.8 Å²	75.8	16%	0.164	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	123.6	169.5	-60.3	-178.7	0	0	0	106.8	T51 G89 L90 L95 Y103	T51-I66 HydrophobicContact CG2-CG2 4.33Å; I66-G89 WeakPolarHBondContact O-CA 3.39Å; I66-L90 PolarHBondContact N-O 2.85Å; I66-L90 PolarHBondContact O-N 3.36Å; I66-L95 HydrophobicContact CD1-CD2 3.96Å; I66-L95 HydrophobicContact CG1-CD2 4.38Å; I66-Y103 HydrophobicContact CD1-CD2 4.12Å; I66-Y103 HydrophobicContact CD1-CE2 4.37Å; I66-Y103 HydrophobicContact CD1-CG 4.48Å
67	Q	43.8	Very low	33.4	Very low	63 Å²	63	76.9 Å²	76.9	29%	0.294	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	125.9	179.1	-63.3	179.4	-1.3	0	0	110	I52	I52-Q67 HydrophobicContact CB-CB 4.21Å; I52-Q67 PolarHBondContact N-O 3.03Å; I52-Q67 PolarHBondContact O-N 3.48Å; I52-Q67 VanDerWaalsContact O-N 3.1Å
68	H	41.2	Very low	33.7	Very low	20 Å²	20	79.6 Å²	79.6	9%	0.093	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	127.1	169.4	-71.5	-76.4	0	0	0	109.7	T51 Q87 I88 Y103	T51-H68 PolarHBondContact OG1-CE1 3.47Å; T51-H68 VanDerWaalsContact OG1-CE1 3.31Å; T51-H68 PolarHBondContact OG1-ND1 2.91Å; H68-Q87 CarbonylContact O-C 3.49Å; H68-Q87 VanDerWaalsContact O-CA 3.27Å; H68-Q87 WeakPolarHBondContact O-CA 3.41Å; H68-I88 PolarHBondContact N-O 3.17Å; H68-I88 PolarHBondContact O-N 3.05Å; H68-Y103 PolarHBondContact CE1-O 3.23Å; H68-Y103 VanDerWaalsContact CE1-O 3.3Å
69	T	40.6	Very low	34	Very low	12 Å²	12	76.3 Å²	76.3	7%	0.074	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	123.1	172.9	-52.6	0	0	0	0	108.9	S50 Q87	S50-T69 PolarHBondContact N-O 3.26Å; S50-T69 PolarHBondContact O-N 2.85Å; T69-Q87 HydrophobicContact CG2-CG 4.12Å
70	I	38.2	Very low	34.3	Very low	17 Å²	17	75.7 Å²	75.7	9%	0.087	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	117.9	174.2	-54.5	175.8	0	0	0	107.7	F72 G85 I86 I88	I70-F72 HydrophobicContact CB-CE2 4.26Å; I70-F72 HydrophobicContact CG2-CD2 4.25Å; I70-F72 HydrophobicContact CG2-CE1 4.3Å; I70-F72 HydrophobicContact CG2-CE2 3.49Å; I70-F72 VanDerWaalsContact CG2-CE2 3.49Å; I70-F72 HydrophobicContact CG2-CZ 3.53Å; I70-G85 CarbonylContact O-C 3.57Å; I70-G85 WeakPolarHBondContact O-CA 3.34Å; I70-I86 HydrophobicContact CB-CB 4.47Å; I70-I86 PolarHBondContact N-O 3.21Å; I70-I86 PolarHBondContact O-N 2.92Å; I70-I88 HydrophobicContact CD1-CD1 3.83Å
71	S	35.7	Very low	34.7	Very low	27 Å²	27	76.7 Å²	76.7	19%	0.189	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	128.3	-178.7	-45.2	0	0	0	0	110.6	C47 Y84	C47-S71 PolarHBondContact SG-O 3.17Å; S71-Y84 CarbonylContact C-O 3.46Å
72	F	32.6	Very low	35	Very low	40 Å²	40	74.3 Å²	74.3	18%	0.175	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	145.8	174.2	-57.7	-90.6	0	0	0	110.7	I70 Y84 I86 I115 F157 F161	I70-F72 HydrophobicContact CB-CE2 4.26Å; I70-F72 HydrophobicContact CG2-CD2 4.25Å; I70-F72 HydrophobicContact CG2-CE1 4.3Å; I70-F72 HydrophobicContact CG2-CE2 3.49Å; I70-F72 VanDerWaalsContact CG2-CE2 3.49Å; I70-F72 HydrophobicContact CG2-CZ 3.53Å; F72-Y84 PolarHBondContact N-O 3.25Å; F72-Y84 PolarHBondContact O-N 2.62Å; F72-I86 HydrophobicContact CD2-CD1 4.34Å; F72-I86 HydrophobicContact CD2-CG1 4.34Å; F72-I86 HydrophobicContact CE2-CD1 3.68Å; F72-I86 HydrophobicContact CE2-CG1 3.99Å; F72-I115 HydrophobicContact CE1-CD1 3.98Å; F72-I115 HydrophobicContact CZ-CD1 4.02Å; F72-F157 HydrophobicContact CB-CZ 4.34Å; F72-F157 HydrophobicContact CD1-CZ 4.28Å; F72-F157 HydrophobicContact CD2-CE1 4.11Å; F72-F157 AromaticContact CD2-CZ 3.66Å; F72-F157 HydrophobicContact CD2-CZ 3.66Å; F72-F157 HydrophobicContact CE2-CE1 4.4Å; F72-F157 AromaticContact CE2-CZ 3.95Å; F72-F157 HydrophobicContact CE2-CZ 3.95Å; F72-F157 AromaticContact CG-CZ 3.84Å; F72-F157 HydrophobicContact CG-CZ 3.84Å; F72-F157 HydrophobicContact CZ-CZ 4.37Å; F72-F161 HydrophobicContact CZ-CE2 4.49Å
73	I	32.7	Very low	35.5	Very low	60 Å²	60	71 Å²	71	31%	0.308	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	121.6	176	-57.3	172	0	0	0	107.3
74	D	32.7	Very low	35.5	Very low	41 Å²	41	69.2 Å²	69.2	22%	0.219	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	115.8	166.2	-175.4	16.2	0	0	0	109.3	N76 K82 Y84	D74-N76 VanDerWaalsContact CG-ND2 3.29Å; D74-N76 PolarHBondContact O-N 2.72Å; D74-N76 PolarHBondContact OD1-ND2 3.48Å; D74-N76 VanDerWaalsContact OD1-ND2 3.1Å; D74-N76 PolarHBondContact OD2-ND2 2.76Å; D74-K82 HydrophobicContact CB-CB 4.41Å; D74-K82 PolarHBondContact N-O 2.89Å; D74-Y84 HydrophobicContact CB-CD2 4.24Å; D74-Y84 HydrophobicContact CB-CE2 3.93Å
75	H	33.8	Very low	35.4	Very low	146 Å²	146	66.1 Å²	66.1	68%	0.676	35%	0.346	S	S	*	.			trans	-92.1	69	175.9	-71.3	-68.4	0	0	0	109.7
76	N	31.3	Very low	35.3	Very low	74 Å²	74	65.3 Å²	65.3	40%	0.396	34%	0.34	S	S	.	.			trans	-96.6	141.5	171.5	-87.4	-37.2	0	0	0	111.9	D74	D74-N76 VanDerWaalsContact CG-ND2 3.29Å; D74-N76 PolarHBondContact O-N 2.72Å; D74-N76 PolarHBondContact OD1-ND2 3.48Å; D74-N76 VanDerWaalsContact OD1-ND2 3.1Å; D74-N76 PolarHBondContact OD2-ND2 2.76Å
77	H	30.5	Very low	35.3	Very low	145 Å²	145	66.5 Å²	66.5	67%	0.671	34%	0.344	S	S	*	.	S	Bend	trans	-44.6	138.7	-173.9	-90.6	-78.7	0	0	0	115.1	H145	H77-H145 AromaticContact CE1-CE1 3.61Å; H77-H145 AromaticContact CE1-ND1 3.97Å
78	I	30.3	Very low	35.1	Very low	157 Å²	157	64.4 Å²	64.4	81%	0.805	34%	0.335	S	S	*	.	S	Bend	trans	64.8	91.3	160.9	-54.9	163.5	0	0	0	113.8	N80	I78-N80 PolarHBondContact O-N 2.97Å
79	G	31.6	Very low	34.9	Very low	74 Å²	74	63.9 Å²	63.9	76%	0.763	34%	0.335	S	S	*	.	S	Bend	trans	87.1	-10.6	146.7	0	0	0	0	0	118.7
80	N	32.4	Very low	34.6	Very low	139 Å²	139	63.9 Å²	63.9	74%	0.743	34%	0.335	S	S	*	.			trans	-136.9	99.6	179.5	-77.1	-31.9	0	0	0	112.1	I78 K82	I78-N80 PolarHBondContact O-N 2.97Å; N80-K82 PolarHBondContact O-N 3.34Å
81	H	36.3	Very low	34.4	Very low	130 Å²	130	65 Å²	65	60%	0.602	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-70.8	119.9	170	-67.5	-70.5	0	0	0	110.1
82	K	35.4	Very low	34.2	Very low	109 Å²	109	64.3 Å²	64.3	47%	0.474	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	122.1	167.9	-72.3	-173.5	-179.4	179.2	0	109.5	D74 N80 Y84	D74-K82 HydrophobicContact CB-CB 4.41Å; D74-K82 PolarHBondContact N-O 2.89Å; N80-K82 PolarHBondContact O-N 3.34Å; K82-Y84 HydrophobicContact CB-CD2 4.49Å; K82-Y84 HydrophobicContact CB-CE2 3.8Å; K82-Y84 WeakPolarHBondContact CD-OH 3.22Å
83	H	38	Very low	34.2	Very low	39 Å²	39	68.8 Å²	68.8	18%	0.181	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	124.9	174.7	-73	-97.1	0	0	0	109.4	S41 S42 H44	S41-H83 WeakPolarHBondContact CA-O 3.28Å; S42-H83 PolarHBondContact O-CD2 3.25Å; S42-H83 PolarHBondContact O-ND1 2.88Å; S42-H83 PolarHBondContact O-NE2 3.14Å; H44-H83 PolarHBondContact O-CE1 2.91Å
84	Y	33.4	Very low	34.2	Very low	32 Å²	32	67.7 Å²	67.7	13%	0.125	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	96.2	176.8	-68.3	-71.1	0	0	0	109.6	S71 F72 D74 K82 D154	S71-Y84 CarbonylContact C-O 3.46Å; F72-Y84 PolarHBondContact N-O 3.25Å; F72-Y84 PolarHBondContact O-N 2.62Å; D74-Y84 HydrophobicContact CB-CD2 4.24Å; D74-Y84 HydrophobicContact CB-CE2 3.93Å; K82-Y84 HydrophobicContact CB-CD2 4.49Å; K82-Y84 HydrophobicContact CB-CE2 3.8Å; K82-Y84 WeakPolarHBondContact CD-OH 3.22Å; Y84-D154 WeakPolarHBondContact CE1-OD1 3.46Å; Y84-D154 VanDerWaalsContact CZ-OD1 3.26Å; Y84-D154 PolarHBondContact OH-OD1 2.79Å
85	G	34.3	Very low	34.2	Very low	4 Å²	4	66.3 Å²	66.3	4%	0.041	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	142.5	165.2	0	0	0	0	0	110.9	S39 T40 I70	S39-G85 WeakPolarHBondContact CA-O 3.47Å; T40-G85 PolarHBondContact O-N 3.02Å; I70-G85 CarbonylContact O-C 3.57Å; I70-G85 WeakPolarHBondContact O-CA 3.34Å
86	I	37.7	Very low	34.2	Very low	10 Å²	10	65.5 Å²	65.5	5%	0.051	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	113.7	164.1	-60.3	-172.5	0	0	0	106.4	I37 S38 I70 F72 I88 F157 F161	I37-I86 HydrophobicContact CG2-CG2 4.13Å; S38-I86 WeakPolarHBondContact O-CA 3.17Å; I70-I86 HydrophobicContact CB-CB 4.47Å; I70-I86 PolarHBondContact N-O 3.21Å; I70-I86 PolarHBondContact O-N 2.92Å; F72-I86 HydrophobicContact CD2-CD1 4.34Å; F72-I86 HydrophobicContact CD2-CG1 4.34Å; F72-I86 HydrophobicContact CE2-CD1 3.68Å; F72-I86 HydrophobicContact CE2-CG1 3.99Å; I86-I88 HydrophobicContact CG2-CG1 4.04Å; I86-F157 HydrophobicContact CD1-CE1 3.9Å; I86-F157 HydrophobicContact CG1-CE1 4.44Å; I86-F161 HydrophobicContact CD1-CB 4.48Å; I86-F161 HydrophobicContact CD1-CD1 3.92Å; I86-F161 HydrophobicContact CD1-CD2 3.48Å; I86-F161 VanDerWaalsContact CD1-CD2 3.48Å; I86-F161 HydrophobicContact CD1-CE1 3.96Å; I86-F161 HydrophobicContact CD1-CE2 3.54Å; I86-F161 HydrophobicContact CD1-CG 3.68Å; I86-F161 HydrophobicContact CD1-CZ 3.78Å; I86-F161 HydrophobicContact CG2-CE1 4.07Å; I86-F161 HydrophobicContact CG2-CZ 4.03Å
87	Q	39.9	Very low	34.3	Very low	57 Å²	57	66.4 Å²	66.4	27%	0.266	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	128.4	168.6	-59	-178.1	-31	0	0	109.6	I37 S38 H68 T69	I37-Q87 WeakPolarHBondContact CA-O 3.48Å; S38-Q87 PolarHBondContact N-O 3.33Å; S38-Q87 PolarHBondContact O-N 2.91Å; S38-Q87 VanDerWaalsContact OG-CB 3.26Å; S38-Q87 WeakPolarHBondContact OG-CB 3.34Å; S38-Q87 VanDerWaalsContact OG-CG 3.3Å; S38-Q87 WeakPolarHBondContact OG-CG 3.33Å; S38-Q87 PolarHBondContact OG-OE1 3.31Å; H68-Q87 CarbonylContact O-C 3.49Å; H68-Q87 VanDerWaalsContact O-CA 3.27Å; H68-Q87 WeakPolarHBondContact O-CA 3.41Å; T69-Q87 HydrophobicContact CG2-CG 4.12Å
88	I	38.1	Very low	34.4	Very low	19 Å²	19	63.5 Å²	63.5	10%	0.097	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	103.8	172.8	-53.6	175.8	0	0	0	106.8	H68 I70 I86 F111 F161	H68-I88 PolarHBondContact N-O 3.17Å; H68-I88 PolarHBondContact O-N 3.05Å; I70-I88 HydrophobicContact CD1-CD1 3.83Å; I86-I88 HydrophobicContact CG2-CG1 4.04Å; I88-F111 HydrophobicContact CD1-CZ 4.24Å; I88-F161 HydrophobicContact CD1-CZ 4.2Å
89	G	36.6	Very low	34.8	Very low	9 Å²	9	59.9 Å²	59.9	9%	0.093	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	138	174.5	0	0	0	0	0	111.6	Y35 F36 I66	Y35-G89 WeakPolarHBondContact CA-O 3.41Å; F36-G89 PolarHBondContact N-O 3.49Å; F36-G89 PolarHBondContact O-N 3.01Å; I66-G89 WeakPolarHBondContact O-CA 3.39Å
90	L	34.7	Very low	35.2	Very low	13 Å²	13	60.2 Å²	60.2	7%	0.068	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	124.3	164	-65.6	173.5	0	0	0	108.5	L33 Y35 S65 I66 L95 Y103	L33-L90 HydrophobicContact CD1-CD2 3.96Å; L33-L90 HydrophobicContact CD2-CD2 4.06Å; L33-L90 HydrophobicContact CG-CD2 3.89Å; Y35-L90 HydrophobicContact CD1-CD2 3.56Å; Y35-L90 HydrophobicContact CE1-CD2 3.31Å; Y35-L90 HydrophobicContact CG-CD2 4.35Å; S65-L90 WeakPolarHBondContact CA-O 3.31Å; I66-L90 PolarHBondContact N-O 2.85Å; I66-L90 PolarHBondContact O-N 3.36Å; L90-L95 HydrophobicContact CB-CD1 4.21Å; L90-L95 HydrophobicContact CB-CD2 4.09Å; L90-L95 HydrophobicContact CD1-CD2 4.27Å; L90-L95 WeakPolarHBondContact O-CD1 3.35Å; L90-Y103 HydrophobicContact CD1-CD1 3.98Å; L90-Y103 HydrophobicContact CD1-CE1 3.17Å
91	C	33.7	Very low	35.5	Very low	39 Å²	39	59.4 Å²	59.4	26%	0.264	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	117.3	170.8	-155.6	0	0	0	0	108.4	T34 F36	T34-C91 PolarHBondContact N-O 3.28Å; T34-C91 PolarHBondContact O-N 3.32Å; T34-C91 VanDerWaalsContact O-N 3.16Å; F36-C91 HydrophobicContact CE2-CB 4.11Å
92	S	33.2	Very low	35.6	Very low	14 Å²	14	56 Å²	56	10%	0.098	30%	0.299	C	S	.	.			trans	-167.2	129.6	179.2	151.3	0	0	0	0	111.6	S94 L95	S92-S94 PolarHBondContact O-N 2.87Å; S92-S94 VanDerWaalsContact O-N 3.09Å; S92-S94 VanDerWaalsContact OG-CA 3.3Å; S92-S94 WeakPolarHBondContact OG-CA 3.26Å; S92-S94 VanDerWaalsContact OG-CB 3.3Å; S92-S94 WeakPolarHBondContact OG-CB 3.43Å; S92-S94 PolarHBondContact OG-N 3.4Å; S92-L95 WeakPolarHBondContact O-CB 3.36Å; S92-L95 WeakPolarHBondContact O-CD1 3.44Å; S92-L95 PolarHBondContact O-N 3.49Å; S92-L95 PolarHBondContact OG-N 3.01Å
93	D	31.8	Very low	35.8	Very low	133 Å²	133	51.4 Å²	51.4	71%	0.711	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-9.9	168.6	-61.2	-29.7	0	0	0	112.3
94	S	31.6	Very low	36	Very low	37 Å²	37	52.9 Å²	52.9	26%	0.259	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	7.2	176.5	-49.9	0	0	0	0	113.5	P31 S92 N96 L97	P31-S94 WeakPolarHBondContact CB-OG 3.43Å; P31-S94 WeakPolarHBondContact CG-OG 3.31Å; S92-S94 PolarHBondContact O-N 2.87Å; S92-S94 VanDerWaalsContact O-N 3.09Å; S92-S94 VanDerWaalsContact OG-CA 3.3Å; S92-S94 WeakPolarHBondContact OG-CA 3.26Å; S92-S94 VanDerWaalsContact OG-CB 3.3Å; S92-S94 WeakPolarHBondContact OG-CB 3.43Å; S92-S94 PolarHBondContact OG-N 3.4Å; S94-N96 PolarHBondContact O-N 3.35Å; S94-N96 VanDerWaalsContact O-N 3.07Å; S94-L97 WeakPolarHBondContact O-CB 3.49Å; S94-L97 PolarHBondContact O-N 3.24Å
95	L	34	Very low	36.5	Very low	12 Å²	12	56 Å²	56	6%	0.063	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-61.7	-13.4	175.2	-86.5	159.8	0	0	0	113.6	N64 I66 L90 S92 L97 Y103	N64-L95 WeakPolarHBondContact O-CD1 3.48Å; I66-L95 HydrophobicContact CD1-CD2 3.96Å; I66-L95 HydrophobicContact CG1-CD2 4.38Å; L90-L95 HydrophobicContact CB-CD1 4.21Å; L90-L95 HydrophobicContact CB-CD2 4.09Å; L90-L95 HydrophobicContact CD1-CD2 4.27Å; L90-L95 WeakPolarHBondContact O-CD1 3.35Å; S92-L95 WeakPolarHBondContact O-CB 3.36Å; S92-L95 WeakPolarHBondContact O-CD1 3.44Å; S92-L95 PolarHBondContact O-N 3.49Å; S92-L95 PolarHBondContact OG-N 3.01Å; L95-L97 PolarHBondContact O-N 2.7Å; L95-Y103 HydrophobicContact CD2-CE2 4.05Å
96	N	33.3	Very low	36.9	Very low	129 Å²	129	62.6 Å²	62.6	69%	0.69	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-72.9	-10.3	171.2	-65	-18.1	0	0	0	113.7	N64 S94	N64-N96 PolarHBondContact ND2-OD1 2.81Å; S94-N96 PolarHBondContact O-N 3.35Å; S94-N96 VanDerWaalsContact O-N 3.07Å
97	L	32.8	Very low	37.3	Very low	94 Å²	94	64.3 Å²	64.3	49%	0.492	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-91.6	-14.9	179.7	-83.5	92.1	0	0	0	114.5	S94 L95 F244	S94-L97 WeakPolarHBondContact O-CB 3.49Å; S94-L97 PolarHBondContact O-N 3.24Å; L95-L97 PolarHBondContact O-N 2.7Å; L97-F244 HydrophobicContact CB-CZ 4.14Å; L97-F244 HydrophobicContact CD2-CD1 4.4Å; L97-F244 HydrophobicContact CD2-CE1 3.33Å; L97-F244 HydrophobicContact CD2-CE2 4.36Å; L97-F244 HydrophobicContact CD2-CZ 3.33Å; L97-F244 HydrophobicContact CG-CE1 4.03Å; L97-F244 HydrophobicContact CG-CZ 3.63Å
98	L	34.1	Very low	37.6	Very low	84 Å²	84	62.6 Å²	62.6	44%	0.44	34%	0.335	S	S	.	.	S	Bend	trans	-104.7	120.8	-179	-86.1	138.3	0	0	0	109.5	S100 V102 Y103	L98-S100 PolarHBondContact O-N 3.13Å; L98-V102 HydrophobicContact CD2-CG1 4.48Å; L98-Y103 HydrophobicContact CB-CD2 4.28Å; L98-Y103 HydrophobicContact CB-CE2 3.29Å; L98-Y103 HydrophobicContact CD1-CE2 4.49Å; L98-Y103 WeakPolarHBondContact CD1-OH 3.36Å; L98-Y103 HydrophobicContact CG-CE2 4.29Å
99	N	38.7	Very low	38	Very low	81 Å²	81	66.3 Å²	66.3	43%	0.433	36%	0.355	S	S	.	.			trans	-54.2	129.1	-179.7	-173.4	-19.2	0	0	0	109.9	K101 V102	N99-K101 PolarHBondContact O-N 3.06Å; N99-K101 PolarHBondContact OD1-N 3.38Å; N99-V102 HydrophobicContact CB-CG2 4.29Å; N99-V102 WeakPolarHBondContact O-CB 2.97Å; N99-V102 PolarHBondContact O-N 3.38Å
100	S	38.9	Very low	38.4	Very low	80 Å²	80	68.7 Å²	68.7	56%	0.559	36%	0.364	S	S	*	.	H	α-helix	trans	-53.4	-29.1	-178.7	75.3	0	0	0	0	112.3	L98 V102 Y103 T104	L98-S100 PolarHBondContact O-N 3.13Å; S100-V102 VanDerWaalsContact C-N 3.32Å; S100-V102 PolarHBondContact O-N 3.02Å; S100-Y103 PolarHBondContact O-N 3.41Å; S100-T104 WeakPolarHBondContact O-CG2 3.36Å; S100-T104 PolarHBondContact O-N 3.46Å; S100-T104 PolarHBondContact O-OG1 3.4Å
101	K	38.5	Very low	38.9	Very low	122 Å²	122	68.8 Å²	68.8	53%	0.53	37%	0.365	S	S	.	.	H	α-helix	trans	-58.9	-36	174.1	-69	-172	177	-173.9	0	114	N99 Y103 E105	N99-K101 PolarHBondContact O-N 3.06Å; N99-K101 PolarHBondContact OD1-N 3.38Å; K101-Y103 VanDerWaalsContact C-N 3.27Å; K101-Y103 PolarHBondContact O-N 3.11Å; K101-E105 WeakPolarHBondContact O-CB 3.35Å; K101-E105 PolarHBondContact O-N 3.36Å
102	V	39.5	Very low	39.5	Very low	58 Å²	58	73.1 Å²	73.1	35%	0.352	38%	0.379	S	S	.	.	I	π-helix	trans	-64.1	-38.3	178.9	178.1	0	0	0	0	110.4	L98 N99 S100 L107	L98-V102 HydrophobicContact CD2-CG1 4.48Å; N99-V102 HydrophobicContact CB-CG2 4.29Å; N99-V102 WeakPolarHBondContact O-CB 2.97Å; N99-V102 PolarHBondContact O-N 3.38Å; S100-V102 VanDerWaalsContact C-N 3.32Å; S100-V102 PolarHBondContact O-N 3.02Å; V102-L107 PolarHBondContact O-N 3.04Å
103	Y	39.9	Very low	40.1	Very low	13 Å²	13	75.3 Å²	75.3	5%	0.051	39%	0.394	C	S	.	.	I	π-helix	trans	-80.7	-37.9	-179.8	-67.4	-63.9	0	0	0	113.7	I66 H68 L90 L95 L98 S100 K101 L107 P108	I66-Y103 HydrophobicContact CD1-CD2 4.12Å; I66-Y103 HydrophobicContact CD1-CE2 4.37Å; I66-Y103 HydrophobicContact CD1-CG 4.48Å; H68-Y103 PolarHBondContact CE1-O 3.23Å; H68-Y103 VanDerWaalsContact CE1-O 3.3Å; L90-Y103 HydrophobicContact CD1-CD1 3.98Å; L90-Y103 HydrophobicContact CD1-CE1 3.17Å; L95-Y103 HydrophobicContact CD2-CE2 4.05Å; L98-Y103 HydrophobicContact CB-CD2 4.28Å; L98-Y103 HydrophobicContact CB-CE2 3.29Å; L98-Y103 HydrophobicContact CD1-CE2 4.49Å; L98-Y103 WeakPolarHBondContact CD1-OH 3.36Å; L98-Y103 HydrophobicContact CG-CE2 4.29Å; S100-Y103 PolarHBondContact O-N 3.41Å; K101-Y103 VanDerWaalsContact C-N 3.27Å; K101-Y103 PolarHBondContact O-N 3.11Å; Y103-L107 HydrophobicContact CD1-CD1 3.64Å; Y103-L107 HydrophobicContact CE1-CD1 4.08Å; Y103-P108 WeakPolarHBondContact O-CD 3.39Å
104	T	40.8	Very low	40.7	Very low	71 Å²	71	70.1 Å²	70.1	44%	0.436	37%	0.366	S	S	.	.	I	π-helix	trans	-87.6	-27.9	-174.6	56.6	0	0	0	0	113.6	S100	S100-T104 WeakPolarHBondContact O-CG2 3.36Å; S100-T104 PolarHBondContact O-N 3.46Å; S100-T104 PolarHBondContact O-OG1 3.4Å
105	E	44.7	Very low	41.3	Very low	98 Å²	98	69.8 Å²	69.8	46%	0.458	36%	0.36	S	S	.	.	I	π-helix	trans	-115	-43.3	-169.3	-161.6	176.5	-178.1	0	0	112.5	K101 N109	K101-E105 WeakPolarHBondContact O-CB 3.35Å; K101-E105 PolarHBondContact O-N 3.36Å; E105-N109 WeakPolarHBondContact O-CB 3.24Å; E105-N109 VanDerWaalsContact O-CG 3.26Å; E105-N109 PolarHBondContact O-ND2 3.01Å
106	Y	42.8	Very low	41.8	Very low	142 Å²	142	73.1 Å²	73.1	56%	0.557	38%	0.378	S	S	*	.	I	π-helix	trans	-86.9	-49.5	-172	-74	-90.4	0	0	0	113	N109 I110	Y106-N109 PolarHBondContact O-N 2.77Å; Y106-I110 WeakPolarHBondContact O-CD1 3.48Å; Y106-I110 WeakPolarHBondContact O-CG1 3.44Å; Y106-I110 PolarHBondContact O-N 3.26Å
107	L	46.5	Very low	42.2	Very low	46 Å²	46	71.3 Å²	71.3	24%	0.241	37%	0.369	C	S	.	.	H	α-helix	trans	-57.8	-50.2	-178.8	-93.5	159.8	0	0	0	112.8	V102 Y103 N109 I110 F111	V102-L107 PolarHBondContact O-N 3.04Å; Y103-L107 HydrophobicContact CD1-CD1 3.64Å; Y103-L107 HydrophobicContact CE1-CD1 4.08Å; L107-N109 VanDerWaalsContact C-N 3.33Å; L107-N109 PolarHBondContact O-N 3.31Å; L107-I110 PolarHBondContact O-N 3.13Å; L107-F111 HydrophobicContact CD2-CD2 4.25Å; L107-F111 HydrophobicContact CD2-CE2 3.77Å; L107-F111 VanDerWaalsContact O-CD2 3.23Å; L107-F111 WeakPolarHBondContact O-CD2 3.43Å; L107-F111 PolarHBondContact O-N 2.94Å
108	P	45.8	Very low	42.5	Very low	21 Å²	21	70.1 Å²	70.1	14%	0.136	36%	0.36	C	S	.	.	H	α-helix	trans	-61.3	-38.1	178.8	-25.8	36.4	0	0	0	113.7	I49 Y103 F111 K112	I49-P108 HydrophobicContact CD1-CB 4.34Å; I49-P108 HydrophobicContact CG2-CB 4.39Å; Y103-P108 WeakPolarHBondContact O-CD 3.39Å; P108-F111 PolarHBondContact O-N 3.15Å; P108-K112 VanDerWaalsContact O-CB 3.29Å; P108-K112 WeakPolarHBondContact O-CB 3.15Å; P108-K112 PolarHBondContact O-N 3.28Å
109	N	45.2	Very low	42.6	Very low	97 Å²	97	72.5 Å²	72.5	52%	0.519	37%	0.373	S	S	.	.	H	α-helix	trans	-70.2	-37.5	179.3	-77.1	-28.6	0	0	0	112.1	E105 Y106 L107 K112 S113	E105-N109 WeakPolarHBondContact O-CB 3.24Å; E105-N109 VanDerWaalsContact O-CG 3.26Å; E105-N109 PolarHBondContact O-ND2 3.01Å; Y106-N109 PolarHBondContact O-N 2.77Å; L107-N109 VanDerWaalsContact C-N 3.33Å; L107-N109 PolarHBondContact O-N 3.31Å; N109-K112 PolarHBondContact O-N 3.04Å; N109-S113 VanDerWaalsContact O-CB 3.31Å; N109-S113 WeakPolarHBondContact O-CB 3.08Å; N109-S113 PolarHBondContact O-N 3.44Å
110	I	45.1	Very low	42.5	Very low	58 Å²	58	75.7 Å²	75.7	30%	0.297	39%	0.389	S	S	.	.	H	α-helix	trans	-67.1	-44.6	174.7	-66.7	165.2	0	0	0	110.4	Y106 L107 K112 S113 E114 I168	Y106-I110 WeakPolarHBondContact O-CD1 3.48Å; Y106-I110 WeakPolarHBondContact O-CG1 3.44Å; Y106-I110 PolarHBondContact O-N 3.26Å; L107-I110 PolarHBondContact O-N 3.13Å; I110-K112 PolarHBondContact O-N 2.88Å; I110-S113 PolarHBondContact O-N 3.26Å; I110-E114 WeakPolarHBondContact O-CB 3.47Å; I110-E114 PolarHBondContact O-N 3.12Å; I110-I168 HydrophobicContact CG2-CG2 4.01Å
111	F	45.3	Very low	42.2	Very low	16 Å²	16	75.5 Å²	75.5	7%	0.07	39%	0.388	C	S	.	.	H	α-helix	trans	-60.2	-45.8	174.5	-87.7	-72.6	0	0	0	111.7	I88 L107 P108 S113 E114 I115 F161 F165 I168	I88-F111 HydrophobicContact CD1-CZ 4.24Å; L107-F111 HydrophobicContact CD2-CD2 4.25Å; L107-F111 HydrophobicContact CD2-CE2 3.77Å; L107-F111 VanDerWaalsContact O-CD2 3.23Å; L107-F111 WeakPolarHBondContact O-CD2 3.43Å; L107-F111 PolarHBondContact O-N 2.94Å; P108-F111 PolarHBondContact O-N 3.15Å; F111-S113 PolarHBondContact O-N 3.46Å; F111-E114 PolarHBondContact O-N 3.26Å; F111-I115 HydrophobicContact CB-CD1 4.42Å; F111-I115 VanDerWaalsContact O-CB 3.23Å; F111-I115 WeakPolarHBondContact O-CB 3.31Å; F111-I115 WeakPolarHBondContact O-CD1 3.4Å; F111-I115 WeakPolarHBondContact O-CG1 3.07Å; F111-I115 PolarHBondContact O-N 2.56Å; F111-F161 HydrophobicContact CE1-CZ 4.39Å; F111-F165 HydrophobicContact CE1-CD2 4.17Å; F111-F165 AromaticContact CZ-CD2 3.72Å; F111-F165 HydrophobicContact CZ-CD2 3.72Å; F111-F165 AromaticContact CZ-CE2 3.9Å; F111-F165 HydrophobicContact CZ-CE2 3.9Å; F111-I168 HydrophobicContact CD1-CD1 4.07Å; F111-I168 HydrophobicContact CE1-CD1 3.96Å
112	K	47.6	Very low	41.8	Very low	130 Å²	130	75.9 Å²	75.9	57%	0.565	39%	0.392	S	S	*	.	H	α-helix	trans	-61.3	-43	177.7	-170.5	176	-178.4	179.3	0	112.3	P108 N109 I110 N116	P108-K112 VanDerWaalsContact O-CB 3.29Å; P108-K112 WeakPolarHBondContact O-CB 3.15Å; P108-K112 PolarHBondContact O-N 3.28Å; N109-K112 PolarHBondContact O-N 3.04Å; I110-K112 PolarHBondContact O-N 2.88Å; K112-N116 WeakPolarHBondContact O-CB 3.5Å; K112-N116 PolarHBondContact O-N 2.93Å; K112-N116 PolarHBondContact O-ND2 3.38Å
113	S	45	Very low	41.1	Very low	59 Å²	59	78.7 Å²	78.7	41%	0.413	41%	0.411	S	S	.	.	H	α-helix	trans	-62	-51.1	175.7	167.1	0	0	0	0	112	N109 I110 F111 N116 N117	N109-S113 VanDerWaalsContact O-CB 3.31Å; N109-S113 WeakPolarHBondContact O-CB 3.08Å; N109-S113 PolarHBondContact O-N 3.44Å; I110-S113 PolarHBondContact O-N 3.26Å; F111-S113 PolarHBondContact O-N 3.46Å; S113-N116 PolarHBondContact O-N 3.46Å; S113-N117 WeakPolarHBondContact O-CB 3.45Å; S113-N117 VanDerWaalsContact O-CG 3.25Å; S113-N117 PolarHBondContact O-N 3.48Å; S113-N117 PolarHBondContact O-ND2 3.14Å
114	E	44.3	Very low	40.6	Very low	25 Å²	25	82.8 Å²	82.8	12%	0.117	44%	0.437	C	S	.	.	H	α-helix	trans	-74.8	-33.9	-173	-148.1	72.6	177.7	0	0	111.8	I110 F111 N117 H118 L164 I168 K171	I110-E114 WeakPolarHBondContact O-CB 3.47Å; I110-E114 PolarHBondContact O-N 3.12Å; F111-E114 PolarHBondContact O-N 3.26Å; E114-N117 PolarHBondContact O-N 3.02Å; E114-H118 VanDerWaalsContact O-CB 3.22Å; E114-H118 WeakPolarHBondContact O-CB 3.47Å; E114-H118 PolarHBondContact O-N 3.3Å; E114-L164 HydrophobicContact CG-CD1 4.15Å; E114-I168 HydrophobicContact CB-CD1 4.02Å; E114-I168 HydrophobicContact CB-CG1 4.2Å; E114-I168 HydrophobicContact CG-CD1 4.17Å; E114-I168 HydrophobicContact CG-CG1 3.89Å; E114-K171 IonicContact OE1-NZ 3.39Å; E114-K171 PolarHBondContact OE1-NZ 2.67Å
115	I	44.1	Very low	40	Very low	29 Å²	29	88.2 Å²	88.2	15%	0.149	46%	0.458	C	S	.	.	H	α-helix	trans	-62.7	-46.2	172.5	-71.9	166.3	0	0	0	110.6	F72 F111 N117 H118 L119 L164	F72-I115 HydrophobicContact CE1-CD1 3.98Å; F72-I115 HydrophobicContact CZ-CD1 4.02Å; F111-I115 HydrophobicContact CB-CD1 4.42Å; F111-I115 VanDerWaalsContact O-CB 3.23Å; F111-I115 WeakPolarHBondContact O-CB 3.31Å; F111-I115 WeakPolarHBondContact O-CD1 3.4Å; F111-I115 WeakPolarHBondContact O-CG1 3.07Å; F111-I115 PolarHBondContact O-N 2.56Å; I115-N117 VanDerWaalsContact C-N 3.33Å; I115-N117 PolarHBondContact O-N 3.19Å; I115-H118 PolarHBondContact O-N 3.32Å; I115-L119 HydrophobicContact CG2-CD1 3.59Å; I115-L119 HydrophobicContact CG2-CG 4.43Å; I115-L119 WeakPolarHBondContact O-CB 3.33Å; I115-L119 WeakPolarHBondContact O-CG 3.44Å; I115-L119 PolarHBondContact O-N 2.94Å; I115-L164 HydrophobicContact CG1-CD2 4.24Å
116	N	44.7	Very low	39.2	Very low	82 Å²	82	91.1 Å²	91.1	44%	0.439	48%	0.476	S	S	.	.	H	α-helix	trans	-59.8	-46.5	174.8	-75	-16.7	0	0	0	110.4	K112 S113 H118 L120	K112-N116 WeakPolarHBondContact O-CB 3.5Å; K112-N116 PolarHBondContact O-N 2.93Å; K112-N116 PolarHBondContact O-ND2 3.38Å; S113-N116 PolarHBondContact O-N 3.46Å; N116-H118 PolarHBondContact O-N 2.75Å; N116-L120 HydrophobicContact CB-CD1 4.32Å; N116-L120 VanDerWaalsContact O-CB 3.24Å; N116-L120 WeakPolarHBondContact O-CB 3.21Å; N116-L120 WeakPolarHBondContact O-CD1 3.13Å; N116-L120 PolarHBondContact O-N 2.73Å; N116-L120 VanDerWaalsContact O-N 3.12Å
117	N	42.1	Very low	38.3	Very low	91 Å²	91	93.7 Å²	93.7	49%	0.487	49%	0.494	S	S	.	.	H	α-helix	trans	-65.9	-38.7	179.5	-70.3	-28.8	0	0	0	113	S113 E114 I115 S121	S113-N117 WeakPolarHBondContact O-CB 3.45Å; S113-N117 VanDerWaalsContact O-CG 3.25Å; S113-N117 PolarHBondContact O-N 3.48Å; S113-N117 PolarHBondContact O-ND2 3.14Å; E114-N117 PolarHBondContact O-N 3.02Å; I115-N117 VanDerWaalsContact C-N 3.33Å; I115-N117 PolarHBondContact O-N 3.19Å; N117-S121 WeakPolarHBondContact O-CB 3.44Å; N117-S121 PolarHBondContact O-N 3.03Å; N117-S121 PolarHBondContact O-OG 3.22Å
118	H	39.7	Very low	37.3	Very low	69 Å²	69	97.6 Å²	97.6	32%	0.319	52%	0.52	S	S	.	.	H	α-helix	trans	-84.5	-24.2	-172.8	-137.3	-61.3	0	0	0	113.7	E114 I115 N116 L164	E114-H118 VanDerWaalsContact O-CB 3.22Å; E114-H118 WeakPolarHBondContact O-CB 3.47Å; E114-H118 PolarHBondContact O-N 3.3Å; I115-H118 PolarHBondContact O-N 3.32Å; N116-H118 PolarHBondContact O-N 2.75Å; H118-L164 HydrophobicContact CB-CD1 3.98Å; H118-L164 WeakPolarHBondContact CD2-CD1 3.43Å
119	L	36.3	Very low	36.3	Very low	134 Å²	134	105 Å²	105	70%	0.702	55%	0.552	S	S	*	*	H	α-helix	trans	-85.2	-29.3	172.4	-69.9	171	0	0	0	112.6	I115	I115-L119 HydrophobicContact CG2-CD1 3.59Å; I115-L119 HydrophobicContact CG2-CG 4.43Å; I115-L119 WeakPolarHBondContact O-CB 3.33Å; I115-L119 WeakPolarHBondContact O-CG 3.44Å; I115-L119 PolarHBondContact O-N 2.94Å
120	L	36.4	Very low	35.3	Very low	149 Å²	149	108.1 Å²	108.1	78%	0.78	57%	0.569	S	S	*	*	H	α-helix	trans	-88.9	-4.9	176.8	-78.1	128.8	0	0	0	114.5	N116	N116-L120 HydrophobicContact CB-CD1 4.32Å; N116-L120 VanDerWaalsContact O-CB 3.24Å; N116-L120 WeakPolarHBondContact O-CB 3.21Å; N116-L120 WeakPolarHBondContact O-CD1 3.13Å; N116-L120 PolarHBondContact O-N 2.73Å; N116-L120 VanDerWaalsContact O-N 3.12Å
121	S	32.2	Very low	34.2	Very low	76 Å²	76	114 Å²	114	53%	0.531	60%	0.595	S	S	.	*			trans	-112.5	7.3	-174.6	63.3	0	0	0	0	116	N117 P123	N117-S121 WeakPolarHBondContact O-CB 3.44Å; N117-S121 PolarHBondContact O-N 3.03Å; N117-S121 PolarHBondContact O-OG 3.22Å; S121-P123 WeakPolarHBondContact O-CD 3.46Å
122	Q	29.4	Very low	33.2	Very low	130 Å²	130	119.9 Å²	119.9	61%	0.607	63%	0.632	S	S	*	*			trans	-73.7	109.4	170.1	-70.6	-87.3	2.3	0	0	108.8	T124	Q122-T124 PolarHBondContact O-N 2.71Å
123	P	25.7	Very low	32	Very low	117 Å²	117	124.5 Å²	124.5	76%	0.76	65%	0.646	S	S	*	*			trans	-81.3	101.1	173.9	16	2.4	0	0	0	107.2	S121	S121-P123 WeakPolarHBondContact O-CD 3.46Å
124	T	29.3	Very low	30.9	Very low	98 Å²	98	130.3 Å²	130.3	60%	0.601	67%	0.672	S	S	*	*			trans	-69.9	134.5	162.5	45.5	0	0	0	0	108.1	Q122 N126	Q122-T124 PolarHBondContact O-N 2.71Å; T124-N126 PolarHBondContact O-N 2.9Å
125	Q	28.2	Very low	29.9	Very low	185 Å²	185	134.4 Å²	134.4	86%	0.864	70%	0.703	S	S	*	*	S	Bend	trans	-58.1	101.3	174.2	-67.7	-179.6	-36.1	0	0	108.6
126	N	26.8	Very low	28.9	Very low	159 Å²	159	137.8 Å²	137.8	85%	0.85	73%	0.729	S	S	*	*			trans	173.3	96.8	147.2	-84.3	-16.6	0	0	0	108	T124 T128	T124-N126 PolarHBondContact O-N 2.9Å; N126-T128 PolarHBondContact O-N 2.73Å
127	E	25.2	Very low	27.9	Very low	196 Å²	196	141 Å²	141	92%	0.916	75%	0.746	S	S	*	*			trans	-68.4	118.8	167.5	-67.7	175.3	158.6	0	0	109.1
128	T	25.5	Very low	27.1	Very low	129 Å²	129	144.7 Å²	144.7	79%	0.791	77%	0.766	S	S	*	*			trans	-155.4	114.5	135.6	44.4	0	0	0	0	107.8	N126	N126-T128 PolarHBondContact O-N 2.73Å
129	E	23.2	Very low	26.3	Very low	175 Å²	175	146.4 Å²	146.4	82%	0.818	79%	0.786	S	S	*	*			trans	30.6	105.7	146.8	-63.3	177.1	153.3	0	0	116.5
130	N	25.1	Very low	25.6	Very low	163 Å²	163	145.6 Å²	145.6	87%	0.872	79%	0.79	S	S	*	*				-172.6	124.1	125.9	-89.3	-37.9	0	0	0	111.8
131	Q	22	Very low	25	Very low	181 Å²	181	145.6 Å²	145.6	85%	0.846	79%	0.79	S	S	*	*			trans	-53.5	131.6	169	-60.9	167.6	-0.7	0	0	110.4
132	V	24.6	Very low	24.6	Very low	141 Å²	141	147 Å²	147	86%	0.855	80%	0.796	S	S	*	*			trans	-140.6	116.5	152.5	-173.4	0	0	0	0	111.7
133	R	21.8	Very low	24.3	Very low	227 Å²	227	148 Å²	148	86%	0.857	81%	0.805	S	S	*	*			trans	-61.4	148.6	170.8	-75	170.8	163.9	137.5	-5.9	111.8	S135	R133-S135 PolarHBondContact O-N 3.34Å
134	L	21.5	Very low	24.3	Very low	180 Å²	180	153.4 Å²	153.4	94%	0.942	81%	0.812	S	S	*	*			trans	-48.3	124.8	159.8	-70.9	149.3	0	0	0	111.1
135	S	23.9	Very low	24.1	Very low	111 Å²	111	155.7 Å²	155.7	78%	0.776	82%	0.816	S	S	*	*			trans	-133	108.7	153.8	72.9	0	0	0	0	110.6	R133 N137	R133-S135 PolarHBondContact O-N 3.34Å; S135-N137 PolarHBondContact O-N 2.97Å
136	S	23.3	Very low	24	Very low	100 Å²	100	154.2 Å²	154.2	70%	0.699	81%	0.808	S	S	*	*			trans	-52.6	119.9	154.4	45.6	0	0	0	0	110.3
137	N	23.7	Very low	23.9	Very low	150 Å²	150	154.3 Å²	154.3	80%	0.802	80%	0.803	S	S	*	*			trans	157.2	137.2	132.2	-76.7	-19.2	0	0	0	110.8	S135 S139	S135-N137 PolarHBondContact O-N 2.97Å; N137-S139 PolarHBondContact O-N 3.33Å
138	N	24.5	Very low	24.1	Very low	169 Å²	169	152.6 Å²	152.6	90%	0.904	80%	0.795	S	S	*	*			trans	-53.7	117.5	174.8	-64.5	-35.5	0	0	0	111.8
139	S	23.7	Very low	24.1	Very low	105 Å²	105	151.2 Å²	151.2	73%	0.734	79%	0.788	S	S	*	*			trans	-180	128.3	144	53.4	0	0	0	0	110.9	N137	N137-S139 PolarHBondContact O-N 3.33Å
140	C	22.5	Very low	24.5	Very low	117 Å²	117	151.8 Å²	151.8	79%	0.791	79%	0.791	S	S	*	*			trans	46.9	109.8	148.3	-65.8	0	0	0	0	118.6
141	L	22.5	Very low	24.8	Very low	148 Å²	148	147.8 Å²	147.8	78%	0.775	78%	0.775	S	S	*	*				84.7	131.3	90.2	-138.6	102.7	0	0	0	111.3
142	T	23.6	Very low	25.4	Very low	106 Å²	106	142.7 Å²	142.7	65%	0.65	75%	0.752	S	S	*	*			trans	57.4	96	155.4	49.2	0	0	0	0	116.6
143	D	23.5	Very low	26	Very low	150 Å²	150	140.2 Å²	140.2	80%	0.802	74%	0.735	S	S	*	*				179.4	158.1	114.4	-82.5	-22.8	0	0	0	108.8
144	Y	26.5	Very low	26.8	Very low	231 Å²	231	133.1 Å²	133.1	91%	0.906	71%	0.713	S	S	*	*			trans	99.9	61.1	-173	-66.7	-85.9	0	0	0	117
145	H	24.3	Very low	27.9	Very low	146 Å²	146	128.7 Å²	128.7	68%	0.676	69%	0.687	S	S	*	*			trans	-62	116.2	140.4	-96.3	-86.7	0	0	0	110.6	H77	H77-H145 AromaticContact CE1-CE1 3.61Å; H77-H145 AromaticContact CE1-ND1 3.97Å
146	H	25.7	Very low	28.9	Very low	154 Å²	154	127.9 Å²	127.9	71%	0.713	67%	0.671	S	S	*	*				165.4	130.5	127.5	-95	62.2	0	0	0	111.6
147	H	25.9	Very low	29.7	Very low	161 Å²	161	125.7 Å²	125.7	75%	0.745	65%	0.648	S	S	*	*			trans	78.8	86.5	163.8	-58.9	-50.3	0	0	0	119.8
148	H	28.8	Very low	30.5	Very low	160 Å²	160	122.2 Å²	122.2	74%	0.741	62%	0.624	S	S	*	*				-167.1	117.5	119.4	-107.3	-68.1	0	0	0	111.3
149	P	25.9	Very low	31.6	Very low	100 Å²	100	118.7 Å²	118.7	65%	0.649	60%	0.602	S	S	*	*			trans	-90	121.6	170	33.1	-25	0	0	0	109.1
150	H	32.2	Very low	32.6	Very low	187 Å²	187	117.1 Å²	117.1	87%	0.866	58%	0.583	S	S	*	*			trans	171.6	101.1	145.1	-87	-55.3	0	0	0	109.4	M152	H150-M152 PolarHBondContact O-N 2.96Å
151	S	30.6	Very low	33.6	Very low	79 Å²	79	112.2 Å²	112.2	55%	0.552	55%	0.549	S	S	*	.			trans	-55.6	113.9	169.9	162.9	0	0	0	0	110.4
152	M	34.9	Very low	34.8	Very low	74 Å²	74	107.3 Å²	107.3	37%	0.365	52%	0.523	S	S	.	.			trans	-58.2	138.5	166.9	-89	-170.8	91.3	0	0	109.7	H150 Q156 F157 E160	H150-M152 PolarHBondContact O-N 2.96Å; M152-Q156 HydrophobicContact CE-CB 3.77Å; M152-Q156 HydrophobicContact CE-CG 3.62Å; M152-Q156 WeakPolarHBondContact CE-O 3.36Å; M152-F157 HydrophobicContact CE-CB 4.2Å; M152-E160 HydrophobicContact CE-CB 4.47Å; M152-E160 HydrophobicContact CE-CG 4.07Å
153	N	37.3	Very low	36.1	Very low	90 Å²	90	107.7 Å²	107.7	48%	0.481	52%	0.516	S	S	.	.			trans	-87.7	157.5	169.6	77.4	21.9	0	0	0	111	K155 Q156 F157	N153-K155 PolarHBondContact O-N 3.29Å; N153-K155 VanDerWaalsContact O-N 3.12Å; N153-K155 WeakPolarHBondContact OD1-CB 3.37Å; N153-K155 PolarHBondContact OD1-N 2.79Å; N153-Q156 WeakPolarHBondContact O-CB 3.48Å; N153-Q156 PolarHBondContact O-N 3.45Å; N153-Q156 WeakPolarHBondContact OD1-CB 3.43Å; N153-Q156 PolarHBondContact OD1-N 2.88Å; N153-F157 PolarHBondContact O-N 3.27Å
154	D	38.9	Very low	37.2	Very low	77 Å²	77	101.6 Å²	101.6	41%	0.412	48%	0.483	S	S	.	.	H	α-helix	trans	-55.8	-31.2	-177.3	-64.8	12.7	0	0	0	113.3	Y84 R158	Y84-D154 WeakPolarHBondContact CE1-OD1 3.46Å; Y84-D154 VanDerWaalsContact CZ-OD1 3.26Å; Y84-D154 PolarHBondContact OH-OD1 2.79Å; D154-R158 WeakPolarHBondContact O-CB 3.1Å; D154-R158 VanDerWaalsContact O-CG 3.3Å; D154-R158 WeakPolarHBondContact O-CG 3.2Å; D154-R158 PolarHBondContact O-N 3.31Å
155	K	43.7	Very low	38.1	Very low	88 Å²	88	92 Å²	92	38%	0.383	45%	0.446	S	S	.	.	H	α-helix	trans	-67.7	-45.7	177.3	-172.3	178.4	-178.6	179.3	0	110.8	E9 N153 R158 E159	E9-K155 IonicContact OE1-NZ 3.42Å; E9-K155 PolarHBondContact OE1-NZ 3.36Å; N153-K155 PolarHBondContact O-N 3.29Å; N153-K155 VanDerWaalsContact O-N 3.12Å; N153-K155 WeakPolarHBondContact OD1-CB 3.37Å; N153-K155 PolarHBondContact OD1-N 2.79Å; K155-R158 PolarHBondContact O-N 3.43Å; K155-E159 WeakPolarHBondContact O-CG 3.24Å; K155-E159 PolarHBondContact O-N 3.41Å
156	Q	44.2	Very low	39.3	Very low	94 Å²	94	89.4 Å²	89.4	44%	0.439	44%	0.437	S	S	.	.	H	α-helix	trans	-67	-38.6	178.7	-158.7	179.5	-4.1	0	0	111	M152 N153 E159 E160	M152-Q156 HydrophobicContact CE-CB 3.77Å; M152-Q156 HydrophobicContact CE-CG 3.62Å; M152-Q156 WeakPolarHBondContact CE-O 3.36Å; N153-Q156 WeakPolarHBondContact O-CB 3.48Å; N153-Q156 PolarHBondContact O-N 3.45Å; N153-Q156 WeakPolarHBondContact OD1-CB 3.43Å; N153-Q156 PolarHBondContact OD1-N 2.88Å; Q156-E159 PolarHBondContact O-N 2.91Å; Q156-E160 WeakPolarHBondContact O-CB 3.49Å; Q156-E160 WeakPolarHBondContact O-CG 3.47Å; Q156-E160 PolarHBondContact O-N 2.84Å
157	F	41.3	Very low	40.4	Very low	53 Å²	53	85 Å²	85	23%	0.232	42%	0.419	C	S	.	.	H	α-helix	trans	-65.2	-44.8	175.7	-176.3	-102.8	0	0	0	111.8	F72 I86 M152 N153 E159 E160 F161	F72-F157 HydrophobicContact CB-CZ 4.34Å; F72-F157 HydrophobicContact CD1-CZ 4.28Å; F72-F157 HydrophobicContact CD2-CE1 4.11Å; F72-F157 AromaticContact CD2-CZ 3.66Å; F72-F157 HydrophobicContact CD2-CZ 3.66Å; F72-F157 HydrophobicContact CE2-CE1 4.4Å; F72-F157 AromaticContact CE2-CZ 3.95Å; F72-F157 HydrophobicContact CE2-CZ 3.95Å; F72-F157 AromaticContact CG-CZ 3.84Å; F72-F157 HydrophobicContact CG-CZ 3.84Å; F72-F157 HydrophobicContact CZ-CZ 4.37Å; I86-F157 HydrophobicContact CD1-CE1 3.9Å; I86-F157 HydrophobicContact CG1-CE1 4.44Å; M152-F157 HydrophobicContact CE-CB 4.2Å; N153-F157 PolarHBondContact O-N 3.27Å; F157-E159 PolarHBondContact O-N 3.47Å; F157-E160 PolarHBondContact O-N 3.09Å; F157-F161 VanDerWaalsContact O-CB 3.25Å; F157-F161 WeakPolarHBondContact O-CB 2.95Å; F157-F161 PolarHBondContact O-N 3.02Å
158	R	41.3	Very low	41.2	Very low	77 Å²	77	77.6 Å²	77.6	29%	0.291	39%	0.385	S	S	.	.	H	α-helix	trans	-62.6	-40.9	175.1	-77.1	173	174.7	-107.4	8.9	112.6	S18 S39 D154 K155 F161 L162	S18-R158 PolarHBondContact OG-NH1 3.04Å; S39-R158 VanDerWaalsContact CB-NH2 3.25Å; S39-R158 PolarHBondContact OG-NH2 3.42Å; D154-R158 WeakPolarHBondContact O-CB 3.1Å; D154-R158 VanDerWaalsContact O-CG 3.3Å; D154-R158 WeakPolarHBondContact O-CG 3.2Å; D154-R158 PolarHBondContact O-N 3.31Å; K155-R158 PolarHBondContact O-N 3.43Å; R158-F161 PolarHBondContact O-N 3.11Å; R158-L162 WeakPolarHBondContact O-CB 3.44Å; R158-L162 VanDerWaalsContact O-CG 3.3Å; R158-L162 WeakPolarHBondContact O-CG 3.38Å; R158-L162 PolarHBondContact O-N 2.86Å
159	E	46.6	Very low	41.9	Very low	95 Å²	95	73 Å²	73	44%	0.444	37%	0.365	S	S	.	.	H	α-helix	trans	-66	-45.6	177.2	-77.6	-177	-169.4	0	0	112.5	K155 Q156 F157 F161 L162 K163	K155-E159 WeakPolarHBondContact O-CG 3.24Å; K155-E159 PolarHBondContact O-N 3.41Å; Q156-E159 PolarHBondContact O-N 2.91Å; F157-E159 PolarHBondContact O-N 3.47Å; E159-F161 VanDerWaalsContact C-N 3.34Å; E159-L162 PolarHBondContact O-N 3.42Å; E159-K163 VanDerWaalsContact O-CG 3.29Å; E159-K163 WeakPolarHBondContact O-CG 3.44Å; E159-K163 PolarHBondContact O-N 3.47Å
160	E	45.5	Very low	42.8	Very low	72 Å²	72	73.7 Å²	73.7	34%	0.336	36%	0.358	S	S	.	.	H	α-helix	trans	-65.2	-38.1	175.8	-70.5	-55	135.2	0	0	111.6	M152 Q156 F157 K163 L164	M152-E160 HydrophobicContact CE-CB 4.47Å; M152-E160 HydrophobicContact CE-CG 4.07Å; Q156-E160 WeakPolarHBondContact O-CB 3.49Å; Q156-E160 WeakPolarHBondContact O-CG 3.47Å; Q156-E160 PolarHBondContact O-N 2.84Å; F157-E160 PolarHBondContact O-N 3.09Å; E160-K163 PolarHBondContact O-N 2.69Å; E160-K163 IonicContact OE1-NZ 3.36Å; E160-K163 PolarHBondContact OE1-NZ 2.85Å; E160-L164 WeakPolarHBondContact O-CB 3.16Å; E160-L164 PolarHBondContact O-N 3.2Å
161	F	43.5	Very low	43.2	Very low	14 Å²	14	68.2 Å²	68.2	6%	0.061	33%	0.331	C	S	.	.	H	α-helix	trans	-63.4	-44.2	173.8	-176.6	-93.1	0	0	0	112.4	F72 I86 I88 F111 F157 R158 E159 K163 L164 F165	F72-F161 HydrophobicContact CZ-CE2 4.49Å; I86-F161 HydrophobicContact CD1-CB 4.48Å; I86-F161 HydrophobicContact CD1-CD1 3.92Å; I86-F161 HydrophobicContact CD1-CD2 3.48Å; I86-F161 VanDerWaalsContact CD1-CD2 3.48Å; I86-F161 HydrophobicContact CD1-CE1 3.96Å; I86-F161 HydrophobicContact CD1-CE2 3.54Å; I86-F161 HydrophobicContact CD1-CG 3.68Å; I86-F161 HydrophobicContact CD1-CZ 3.78Å; I86-F161 HydrophobicContact CG2-CE1 4.07Å; I86-F161 HydrophobicContact CG2-CZ 4.03Å; I88-F161 HydrophobicContact CD1-CZ 4.2Å; F111-F161 HydrophobicContact CE1-CZ 4.39Å; F157-F161 VanDerWaalsContact O-CB 3.25Å; F157-F161 WeakPolarHBondContact O-CB 2.95Å; F157-F161 PolarHBondContact O-N 3.02Å; R158-F161 PolarHBondContact O-N 3.11Å; E159-F161 VanDerWaalsContact C-N 3.34Å; F161-K163 VanDerWaalsContact C-N 3.33Å; F161-K163 PolarHBondContact O-N 3.42Å; F161-L164 PolarHBondContact O-N 3.03Å; F161-F165 WeakPolarHBondContact O-CB 3.41Å; F161-F165 PolarHBondContact O-N 3.08Å
162	L	46.9	Very low	43.5	Very low	46 Å²	46	68.4 Å²	68.4	24%	0.241	32%	0.324	C	S	.	.	H	α-helix	trans	-65.9	-35.3	176.5	-75.5	170.6	0	0	0	112.1	I20 I37 R158 E159 N166	I20-L162 HydrophobicContact CD1-CD1 4.46Å; I20-L162 HydrophobicContact CD1-CD2 4.43Å; I37-L162 HydrophobicContact CD1-CD2 3.81Å; R158-L162 WeakPolarHBondContact O-CB 3.44Å; R158-L162 VanDerWaalsContact O-CG 3.3Å; R158-L162 WeakPolarHBondContact O-CG 3.38Å; R158-L162 PolarHBondContact O-N 2.86Å; E159-L162 PolarHBondContact O-N 3.42Å; L162-N166 WeakPolarHBondContact O-CB 3.48Å; L162-N166 PolarHBondContact O-N 2.95Å; L162-N166 PolarHBondContact O-ND2 3.11Å
163	K	50.9	Low	43.5	Very low	113 Å²	113	69.4 Å²	69.4	49%	0.491	33%	0.334	S	S	.	.	H	α-helix	trans	-62.9	-46.9	171.7	-71.9	170.3	-163.9	167.9	0	110.7	E159 E160 F161 N166 L167	E159-K163 VanDerWaalsContact O-CG 3.29Å; E159-K163 WeakPolarHBondContact O-CG 3.44Å; E159-K163 PolarHBondContact O-N 3.47Å; E160-K163 PolarHBondContact O-N 2.69Å; E160-K163 IonicContact OE1-NZ 3.36Å; E160-K163 PolarHBondContact OE1-NZ 2.85Å; F161-K163 VanDerWaalsContact C-N 3.33Å; F161-K163 PolarHBondContact O-N 3.42Å; K163-N166 PolarHBondContact O-N 2.9Å; K163-L167 VanDerWaalsContact O-CB 3.31Å; K163-L167 WeakPolarHBondContact O-CB 3.43Å; K163-L167 PolarHBondContact O-N 2.99Å
164	L	46.1	Very low	43.4	Very low	23 Å²	23	68 Å²	68	12%	0.12	33%	0.326	C	S	.	.	H	α-helix	trans	-63.3	-45.4	178.1	-176	66.3	0	0	0	111.8	E114 I115 H118 E160 F161 N166 L167 I168	E114-L164 HydrophobicContact CG-CD1 4.15Å; I115-L164 HydrophobicContact CG1-CD2 4.24Å; H118-L164 HydrophobicContact CB-CD1 3.98Å; H118-L164 WeakPolarHBondContact CD2-CD1 3.43Å; E160-L164 WeakPolarHBondContact O-CB 3.16Å; E160-L164 PolarHBondContact O-N 3.2Å; F161-L164 PolarHBondContact O-N 3.03Å; L164-N166 PolarHBondContact O-N 3.41Å; L164-L167 CarbonylContact O-C 3.46Å; L164-L167 WeakPolarHBondContact O-CB 3.33Å; L164-L167 PolarHBondContact O-N 3.25Å; L164-L167 VanDerWaalsContact O-N 3.16Å; L164-I168 HydrophobicContact CD1-CD1 4.43Å; L164-I168 HydrophobicContact CG-CD1 3.99Å; L164-I168 VanDerWaalsContact O-CG1 3.29Å; L164-I168 WeakPolarHBondContact O-CG1 3.48Å; L164-I168 PolarHBondContact O-N 3.31Å
165	F	46.3	Very low	43.2	Very low	28 Å²	28	69.7 Å²	69.7	12%	0.123	33%	0.332	C	S	.	.	H	α-helix	trans	-59.7	-48.7	177.3	-175.9	-94	0	0	0	111.3	Y35 F111 F161 L167 I168 I169	Y35-F165 HydrophobicContact CD1-CZ 4.47Å; Y35-F165 HydrophobicContact CE1-CZ 4.21Å; F111-F165 HydrophobicContact CE1-CD2 4.17Å; F111-F165 AromaticContact CZ-CD2 3.72Å; F111-F165 HydrophobicContact CZ-CD2 3.72Å; F111-F165 AromaticContact CZ-CE2 3.9Å; F111-F165 HydrophobicContact CZ-CE2 3.9Å; F161-F165 WeakPolarHBondContact O-CB 3.41Å; F161-F165 PolarHBondContact O-N 3.08Å; F165-L167 VanDerWaalsContact C-N 3.29Å; F165-L167 PolarHBondContact O-N 3.4Å; F165-I168 PolarHBondContact O-N 3.47Å; F165-I169 HydrophobicContact CD1-CG1 4.19Å; F165-I169 HydrophobicContact CE1-CD1 4.42Å; F165-I169 HydrophobicContact CE1-CG1 3.88Å; F165-I169 HydrophobicContact CZ-CD1 4.28Å; F165-I169 HydrophobicContact CZ-CG1 4.2Å; F165-I169 WeakPolarHBondContact O-CG1 3.35Å; F165-I169 PolarHBondContact O-N 3.44Å
166	N	49.6	Very low	42.7	Very low	92 Å²	92	68.9 Å²	68.9	49%	0.492	34%	0.337	S	S	.	.	H	α-helix	trans	-63.9	-34.7	175.7	-76.1	-53.1	0	0	0	112.2	L162 K163 L164 F170	L162-N166 WeakPolarHBondContact O-CB 3.48Å; L162-N166 PolarHBondContact O-N 2.95Å; L162-N166 PolarHBondContact O-ND2 3.11Å; K163-N166 PolarHBondContact O-N 2.9Å; L164-N166 PolarHBondContact O-N 3.41Å; N166-F170 WeakPolarHBondContact O-CB 3.43Å; N166-F170 PolarHBondContact O-N 3.14Å
167	L	48.4	Very low	42.1	Very low	63 Å²	63	70.3 Å²	70.3	33%	0.33	35%	0.348	S	S	.	.	H	α-helix	trans	-65.8	-41.4	174.3	-171.2	73.8	0	0	0	111.5	K163 L164 F165 F170 K171	K163-L167 VanDerWaalsContact O-CB 3.31Å; K163-L167 WeakPolarHBondContact O-CB 3.43Å; K163-L167 PolarHBondContact O-N 2.99Å; L164-L167 CarbonylContact O-C 3.46Å; L164-L167 WeakPolarHBondContact O-CB 3.33Å; L164-L167 PolarHBondContact O-N 3.25Å; L164-L167 VanDerWaalsContact O-N 3.16Å; F165-L167 VanDerWaalsContact C-N 3.29Å; F165-L167 PolarHBondContact O-N 3.4Å; L167-F170 CarbonylContact O-C 3.58Å; L167-F170 PolarHBondContact O-N 3.35Å; L167-K171 VanDerWaalsContact O-CB 3.31Å; L167-K171 WeakPolarHBondContact O-CB 3.29Å; L167-K171 WeakPolarHBondContact O-CG 3.45Å; L167-K171 PolarHBondContact O-N 3.1Å
168	I	41.6	Very low	41.4	Very low	5 Å²	5	76.8 Å²	76.8	3%	0.026	38%	0.376	C	S	.	.	H	α-helix	trans	-64.4	-47.4	176.4	-69.5	164.6	0	0	0	110.3	I110 F111 E114 L164 F165 F170 K171 Q172	I110-I168 HydrophobicContact CG2-CG2 4.01Å; F111-I168 HydrophobicContact CD1-CD1 4.07Å; F111-I168 HydrophobicContact CE1-CD1 3.96Å; E114-I168 HydrophobicContact CB-CD1 4.02Å; E114-I168 HydrophobicContact CB-CG1 4.2Å; E114-I168 HydrophobicContact CG-CD1 4.17Å; E114-I168 HydrophobicContact CG-CG1 3.89Å; L164-I168 HydrophobicContact CD1-CD1 4.43Å; L164-I168 HydrophobicContact CG-CD1 3.99Å; L164-I168 VanDerWaalsContact O-CG1 3.29Å; L164-I168 WeakPolarHBondContact O-CG1 3.48Å; L164-I168 PolarHBondContact O-N 3.31Å; F165-I168 PolarHBondContact O-N 3.47Å; I168-F170 VanDerWaalsContact C-N 3.3Å; I168-F170 PolarHBondContact O-N 3.46Å; I168-K171 PolarHBondContact O-N 3.02Å; I168-Q172 HydrophobicContact CG2-CG 4.4Å; I168-Q172 WeakPolarHBondContact O-CB 3.35Å; I168-Q172 VanDerWaalsContact O-CG 3.32Å; I168-Q172 WeakPolarHBondContact O-CG 3.49Å; I168-Q172 PolarHBondContact O-N 3.49Å
169	I	45	Very low	40.7	Very low	63 Å²	63	78.6 Å²	78.6	32%	0.323	40%	0.4	S	S	.	.	H	α-helix	trans	-61.8	-40.5	175.2	-62.9	-62.4	0	0	0	110.7	F165 T173	F165-I169 HydrophobicContact CD1-CG1 4.19Å; F165-I169 HydrophobicContact CE1-CD1 4.42Å; F165-I169 HydrophobicContact CE1-CG1 3.88Å; F165-I169 HydrophobicContact CZ-CD1 4.28Å; F165-I169 HydrophobicContact CZ-CG1 4.2Å; F165-I169 WeakPolarHBondContact O-CG1 3.35Å; F165-I169 PolarHBondContact O-N 3.44Å; I169-T173 WeakPolarHBondContact O-CB 3.29Å; I169-T173 VanDerWaalsContact O-CG2 3.28Å; I169-T173 WeakPolarHBondContact O-CG2 3.47Å; I169-T173 PolarHBondContact O-N 3.21Å; I169-T173 PolarHBondContact O-OG1 3.42Å
170	F	44.6	Very low	39.7	Very low	115 Å²	115	80.8 Å²	80.8	50%	0.504	41%	0.411	S	S	.	.	H	α-helix	trans	-68.7	-35.9	176.7	-173.1	-96.4	0	0	0	112.8	N166 L167 I168 T173 N174	N166-F170 WeakPolarHBondContact O-CB 3.43Å; N166-F170 PolarHBondContact O-N 3.14Å; L167-F170 CarbonylContact O-C 3.58Å; L167-F170 PolarHBondContact O-N 3.35Å; I168-F170 VanDerWaalsContact C-N 3.3Å; I168-F170 PolarHBondContact O-N 3.46Å; F170-T173 VanDerWaalsContact CA-OG1 3.31Å; F170-T173 WeakPolarHBondContact CA-OG1 3.22Å; F170-T173 PolarHBondContact O-OG1 3.19Å; F170-N174 VanDerWaalsContact CE1-ND2 3.26Å; F170-N174 WeakPolarHBondContact CE1-ND2 3.38Å; F170-N174 WeakPolarHBondContact CE2-ND2 3.39Å; F170-N174 WeakPolarHBondContact CZ-ND2 3.35Å; F170-N174 WeakPolarHBondContact O-CB 3.45Å; F170-N174 PolarHBondContact O-N 3.37Å; F170-N174 PolarHBondContact O-ND2 3.47Å
171	K	40.7	Very low	38.8	Very low	72 Å²	72	85.5 Å²	85.5	31%	0.313	44%	0.438	S	S	.	.	H	α-helix	trans	-71.7	-45.3	174.8	-84.7	-174.2	170.9	-170.6	0	111	E114 L167 I168 T173 N174 E175	E114-K171 IonicContact OE1-NZ 3.39Å; E114-K171 PolarHBondContact OE1-NZ 2.67Å; L167-K171 VanDerWaalsContact O-CB 3.31Å; L167-K171 WeakPolarHBondContact O-CB 3.29Å; L167-K171 WeakPolarHBondContact O-CG 3.45Å; L167-K171 PolarHBondContact O-N 3.1Å; I168-K171 PolarHBondContact O-N 3.02Å; K171-T173 PolarHBondContact O-N 2.95Å; K171-N174 CarbonylContact O-C 3.51Å; K171-N174 PolarHBondContact O-N 3.31Å; K171-E175 HydrophobicContact CB-CG 4.28Å; K171-E175 WeakPolarHBondContact CD-OE1 3.23Å; K171-E175 WeakPolarHBondContact O-CB 3.36Å; K171-E175 WeakPolarHBondContact O-CG 3.14Å; K171-E175 PolarHBondContact O-N 3.16Å
172	Q	37	Very low	38	Very low	83 Å²	83	94.4 Å²	94.4	39%	0.388	48%	0.477	S	S	.	.	H	α-helix	trans	-60.6	-31.6	175.5	-74.5	177.6	-4.4	0	0	113	I168 N174	I168-Q172 HydrophobicContact CG2-CG 4.4Å; I168-Q172 WeakPolarHBondContact O-CB 3.35Å; I168-Q172 VanDerWaalsContact O-CG 3.32Å; I168-Q172 WeakPolarHBondContact O-CG 3.49Å; I168-Q172 PolarHBondContact O-N 3.49Å; Q172-N174 VanDerWaalsContact C-N 3.35Å
173	T	35.1	Very low	37	Very low	95 Å²	95	100.2 Å²	100.2	58%	0.583	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-13.3	173.8	50	0	0	0	0	113.9	I169 F170 K171	I169-T173 WeakPolarHBondContact O-CB 3.29Å; I169-T173 VanDerWaalsContact O-CG2 3.28Å; I169-T173 WeakPolarHBondContact O-CG2 3.47Å; I169-T173 PolarHBondContact O-N 3.21Å; I169-T173 PolarHBondContact O-OG1 3.42Å; F170-T173 VanDerWaalsContact CA-OG1 3.31Å; F170-T173 WeakPolarHBondContact CA-OG1 3.22Å; F170-T173 PolarHBondContact O-OG1 3.19Å; K171-T173 PolarHBondContact O-N 2.95Å
174	N	35.1	Very low	35.9	Very low	59 Å²	59	100.2 Å²	100.2	32%	0.316	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.8	-14.3	-177.3	-74.4	-62.5	0	0	0	115.3	F170 K171 Q172 S176	F170-N174 VanDerWaalsContact CE1-ND2 3.26Å; F170-N174 WeakPolarHBondContact CE1-ND2 3.38Å; F170-N174 WeakPolarHBondContact CE2-ND2 3.39Å; F170-N174 WeakPolarHBondContact CZ-ND2 3.35Å; F170-N174 WeakPolarHBondContact O-CB 3.45Å; F170-N174 PolarHBondContact O-N 3.37Å; F170-N174 PolarHBondContact O-ND2 3.47Å; K171-N174 CarbonylContact O-C 3.51Å; K171-N174 PolarHBondContact O-N 3.31Å; Q172-N174 VanDerWaalsContact C-N 3.35Å; N174-S176 VanDerWaalsContact C-N 3.35Å; N174-S176 PolarHBondContact O-N 2.79Å
175	E	34.1	Very low	35.1	Very low	113 Å²	113	109 Å²	109	53%	0.528	56%	0.558	S	S	.	*	G	3₁₀ helix	trans	-86.7	4.8	-174.8	-80	-178.5	171.3	0	0	114.4	K171 N177	K171-E175 HydrophobicContact CB-CG 4.28Å; K171-E175 WeakPolarHBondContact CD-OE1 3.23Å; K171-E175 WeakPolarHBondContact O-CB 3.36Å; K171-E175 WeakPolarHBondContact O-CG 3.14Å; K171-E175 PolarHBondContact O-N 3.16Å; E175-N177 PolarHBondContact O-N 3.01Å
176	S	33.6	Very low	34.4	Very low	71 Å²	71	113.3 Å²	113.3	50%	0.497	58%	0.582	S	S	.	*	G	3₁₀ helix	trans	-66.9	9.2	163.4	53.5	0	0	0	0	114.2	N174	N174-S176 VanDerWaalsContact C-N 3.35Å; N174-S176 PolarHBondContact O-N 2.79Å
177	N	30.7	Very low	33.4	Very low	125 Å²	125	115.8 Å²	115.8	67%	0.668	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-128.6	17.2	-177.1	-71.4	-56.7	0	0	0	115	E175	E175-N177 PolarHBondContact O-N 3.01Å
178	F	27	Very low	32.7	Very low	189 Å²	189	122.2 Å²	122.2	83%	0.829	62%	0.624	S	S	*	*			trans	-134.5	62.2	-179.7	-134.2	-94.6	0	0	0	112
179	S	26.7	Very low	31.9	Very low	114 Å²	114	127.8 Å²	127.8	80%	0.797	66%	0.662	S	S	*	*			trans	-157.8	71.1	168.8	-75.7	0	0	0	0	109.7
180	Q	26.2	Very low	31.4	Very low	141 Å²	141	134.5 Å²	134.5	66%	0.659	69%	0.688	S	S	*	*			trans	-179.1	95.4	160.5	-104.5	169.5	6.6	0	0	107.3
181	N	26.1	Very low	30.8	Very low	171 Å²	171	135.7 Å²	135.7	91%	0.914	70%	0.7	S	S	*	*			trans	165.3	72.3	151.3	-84.3	-9.1	0	0	0	110
182	K	25.9	Very low	30.7	Very low	202 Å²	202	140.1 Å²	140.1	88%	0.878	73%	0.727	S	S	*	*	S	Bend	trans	-164.4	83.6	150	-145.8	172.6	-176.1	179.9	0	109.1
183	L	25.7	Very low	30.5	Very low	168 Å²	168	144.9 Å²	144.9	88%	0.88	75%	0.746	S	S	*	*	S	Bend	trans	177.8	142.9	155.3	-95.3	150.3	0	0	0	108.2
184	T	27.8	Very low	30.6	Very low	113 Å²	113	146.4 Å²	146.4	69%	0.693	75%	0.751	S	S	*	*			trans	76.1	78.6	174.7	27.2	0	0	0	0	117.9
185	E	30	Very low	30.7	Very low	207 Å²	207	150.9 Å²	150.9	97%	0.967	77%	0.768	S	S	*	*			trans	-75.3	108.5	133.7	-81.3	178.6	160.1	0	0	106.9
186	D	30.5	Very low	30.7	Very low	119 Å²	119	152 Å²	152	64%	0.636	78%	0.778	S	S	*	*			trans	-108.2	126.2	170.2	-99.9	-29.2	0	0	0	108.8
187	N	30.6	Very low	30.4	Very low	144 Å²	144	155.1 Å²	155.1	77%	0.77	79%	0.788	S	S	*	*			trans	62	98.7	139.5	-55.6	-44.4	0	0	0	119
188	Q	32.2	Very low	30.4	Very low	198 Å²	198	156.2 Å²	156.2	93%	0.925	79%	0.793	S	S	*	*			trans	-125.8	125.2	140.5	-120.3	171.5	7.4	0	0	109.7
189	C	25.4	Very low	30.2	Very low	122 Å²	122	151.8 Å²	151.8	82%	0.824	79%	0.785	S	S	*	*			trans	-44	142.4	178.3	-70.6	0	0	0	0	113.8
190	K	35.2	Very low	30.4	Very low	203 Å²	203	152.9 Å²	152.9	88%	0.883	79%	0.787	S	S	*	*				-162.3	134.9	125.1	-102.9	159.4	-172.5	-177.7	0	110.3
191	D	31.4	Very low	30.3	Very low	141 Å²	141	152.6 Å²	152.6	75%	0.754	79%	0.79	S	S	*	*			trans	-54	141.9	177.2	-50.4	-75.4	0	0	0	112
192	D	38.7	Very low	30.6	Very low	164 Å²	164	151.2 Å²	151.2	88%	0.877	78%	0.782	S	S	*	*				177.5	152.1	122.3	-88.9	-33.8	0	0	0	112.8
193	K	33.3	Very low	30.6	Very low	183 Å²	183	147.3 Å²	147.3	80%	0.796	78%	0.776	S	S	*	*			trans	-81.7	172.5	-162.4	-68.9	173.9	175.6	169.7	0	114.4
194	D	36.4	Very low	30.9	Very low	127 Å²	127	146 Å²	146	68%	0.679	77%	0.765	S	S	*	*			trans	92.7	141	156.9	-61	-37	0	0	0	116
195	K	37.6	Very low	31.2	Very low	154 Å²	154	147.7 Å²	147.7	67%	0.67	76%	0.763	S	S	*	*			cis	176.2	149.6	-18.8	-111.3	174.9	-166.1	122.1	0	103.5
196	N	32.7	Very low	31.1	Very low	137 Å²	137	144.6 Å²	144.6	73%	0.733	75%	0.753	S	S	*	*			trans	71.3	146	154.5	-61.2	-19.7	0	0	0	116.6
197	L	28.6	Very low	31	Very low	135 Å²	135	144.7 Å²	144.7	71%	0.707	76%	0.763	S	S	*	*			cis	-171.8	158.4	2.2	-139.6	66.8	0	0	0	107.4
198	L	30.2	Very low	30.8	Very low	148 Å²	148	141.9 Å²	141.9	78%	0.775	76%	0.755	S	S	*	*			trans	83.5	103.9	146.8	-72.5	160.3	0	0	0	122
199	S	23.7	Very low	30.6	Very low	97 Å²	97	142.1 Å²	142.1	68%	0.678	75%	0.749	S	S	*	*			trans	-60.4	150.6	143.8	52.9	0	0	0	0	114.4
200	V	30.3	Very low	30.8	Very low	137 Å²	137	143.6 Å²	143.6	83%	0.83	75%	0.748	S	S	*	*			trans	-153.1	139.4	135.7	-178.9	0	0	0	0	109.6
201	N	24.6	Very low	30.2	Very low	135 Å²	135	139.8 Å²	139.8	72%	0.722	75%	0.746	S	S	*	*			trans	-81	167.2	-176.8	-60.2	-46.4	0	0	0	113.8
202	D	32.2	Very low	30	Very low	141 Å²	141	139.2 Å²	139.2	75%	0.754	75%	0.75	S	S	*	*				156.4	103.7	123.2	-74.3	-28.3	0	0	0	111.3
203	T	26.2	Very low	29.5	Very low	120 Å²	120	140.9 Å²	140.9	74%	0.736	75%	0.749	S	S	*	*				63.4	109.5	96.1	-20.3	0	0	0	0	116.4
204	E	31.7	Very low	29	Very low	142 Å²	142	138.9 Å²	138.9	66%	0.664	75%	0.752	S	S	*	*				147.5	122.6	122	-76.8	-156.1	152.4	0	0	116.5
205	K	33.3	Very low	28.6	Very low	147 Å²	147	141 Å²	141	64%	0.639	76%	0.762	S	S	*	*			trans	76.4	107	134.4	-68.1	172.6	-173.1	148.3	0	122.7
206	N	27.8	Very low	27.8	Very low	142 Å²	142	140 Å²	140	76%	0.759	77%	0.765	S	S	*	*				98.2	120.8	114.2	-69.3	-9.7	0	0	0	122.6
207	S	29.3	Very low	27.5	Very low	122 Å²	122	141.9 Å²	141.9	85%	0.853	77%	0.774	S	S	*	*			trans	85.6	141	147.5	83.7	0	0	0	0	117.9
208	S	27	Very low	27.3	Very low	84 Å²	84	139.8 Å²	139.8	59%	0.587	77%	0.77	S	S	*	*			cis	-174.8	161.1	-20.1	178.7	0	0	0	0	105.4
209	Y	27.8	Very low	27.1	Very low	204 Å²	204	138.1 Å²	138.1	80%	0.8	77%	0.771	S	S	*	*			trans	102	71.3	168	-51.3	-66.9	0	0	0	119.2
210	N	29.1	Very low	27.4	Very low	153 Å²	153	138.6 Å²	138.6	82%	0.818	77%	0.771	S	S	*	*				63.1	102.2	116.5	-71.4	-19.1	0	0	0	121.7
211	C	21.5	Very low	27.1	Very low	122 Å²	122	141.5 Å²	141.5	82%	0.824	77%	0.773	S	S	*	*			trans	-115.6	133.1	157	-158.5	0	0	0	0	108.2	K213	C211-K213 PolarHBondContact O-N 2.91Å
212	P	27.8	Very low	27.2	Very low	130 Å²	130	143 Å²	143	84%	0.844	78%	0.778	S	S	*	*			trans	-81.7	103.9	179.4	-9.6	26.7	0	0	0	113
213	K	27.6	Very low	27	Very low	198 Å²	198	142.9 Å²	142.9	86%	0.861	78%	0.777	S	S	*	*			trans	15.3	114.6	143.4	-66.3	174.9	179.1	176	0	119.6	C211	C211-K213 PolarHBondContact O-N 2.91Å
214	V	23.4	Very low	27	Very low	142 Å²	142	146.2 Å²	146.2	86%	0.861	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-69.6	130.6	148.9	174.2	0	0	0	0	108.8
215	L	27.6	Very low	26.7	Very low	171 Å²	171	145.5 Å²	145.5	90%	0.895	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-90.1	120.5	168.2	-86.7	163.5	0	0	0	109.3
216	D	22.2	Very low	26.4	Very low	134 Å²	134	145.5 Å²	145.5	72%	0.717	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-93.8	131.6	174.8	-158.6	3.3	0	0	0	108.9
217	L	26.7	Very low	26.1	Very low	176 Å²	176	151.2 Å²	151.2	92%	0.921	81%	0.808	S	S	*	*			trans	-143	81.4	167.1	-84.8	173	0	0	0	108.7
218	S	22.7	Very low	26	Very low	91 Å²	91	149.8 Å²	149.8	64%	0.636	80%	0.798	S	S	*	*			trans	-67.4	132.2	161.5	53.4	0	0	0	0	111.9
219	S	26.2	Very low	26	Very low	113 Å²	113	154 Å²	154	79%	0.79	81%	0.806	S	S	*	*				163.5	155.5	126.4	-83.3	0	0	0	0	114.9
220	P	30.9	Very low	26	Very low	106 Å²	106	152.5 Å²	152.5	69%	0.688	81%	0.805	S	S	*	*			trans	-129.8	-178.1	-131	37.7	-19.8	0	0	0	116.4
221	K	23.7	Very low	25.9	Very low	198 Å²	198	152.4 Å²	152.4	86%	0.861	80%	0.8	S	S	*	*			trans	93.3	108.6	158.8	-61.5	175.9	179.5	175.4	0	117.7
222	M	26.5	Very low	26.2	Very low	167 Å²	167	149.8 Å²	149.8	82%	0.823	78%	0.783	S	S	*	*				-163.8	118.7	117.2	-116	-167.6	148	0	0	114
223	N	28	Very low	26.2	Very low	139 Å²	139	149.5 Å²	149.5	74%	0.743	77%	0.774	S	S	*	*			trans	65.7	123.7	137.2	-63.8	-2	0	0	0	124
224	Q	26.5	Very low	26.4	Very low	189 Å²	189	145.1 Å²	145.1	88%	0.883	76%	0.759	S	S	*	*			trans	-45.5	132.3	169.5	-64.5	163.1	-5.7	0	0	114
225	T	25	Very low	26.8	Very low	127 Å²	127	145.5 Å²	145.5	78%	0.779	75%	0.745	S	S	*	*				-165.9	144.4	129.4	40.6	0	0	0	0	109.6
226	N	26.4	Very low	27	Very low	148 Å²	148	141.3 Å²	141.3	79%	0.791	73%	0.729	S	S	*	*			trans	74.7	59.1	167	-56.7	-30.7	0	0	0	118.8	S228	N226-S228 VanDerWaalsContact C-N 3.32Å; N226-S228 PolarHBondContact O-N 3.41Å; N226-S228 VanDerWaalsContact O-N 3.12Å
227	R	23.1	Very low	27.5	Very low	262 Å²	262	138.4 Å²	138.4	99%	0.989	72%	0.718	S	S	*	*			trans	-76.2	80.1	154.8	-87	-178.1	169.5	177.6	-4.4	110.7
228	S	25.4	Very low	27.7	Very low	92 Å²	92	132.7 Å²	132.7	64%	0.643	69%	0.689	S	S	*	*	S	Bend	trans	-178.2	128.3	153.7	61.3	0	0	0	0	107.8	N226	N226-S228 VanDerWaalsContact C-N 3.32Å; N226-S228 PolarHBondContact O-N 3.41Å; N226-S228 VanDerWaalsContact O-N 3.12Å
229	K	27.1	Very low	28.2	Very low	172 Å²	172	132.2 Å²	132.2	75%	0.748	68%	0.675	S	S	*	*			trans	101.4	78	-177.4	-59.9	167.1	179	177.4	0	114.5
230	H	29.2	Very low	28.6	Very low	172 Å²	172	135.7 Å²	135.7	80%	0.796	68%	0.676	S	S	*	*			trans	-166.1	83.3	151.6	-81.3	-48.1	0	0	0	110.2
231	Q	25.8	Very low	28.7	Very low	151 Å²	151	138.8 Å²	138.8	71%	0.706	68%	0.681	S	S	*	*			trans	-83.8	114.1	143.1	-94.3	-174.3	-5.1	0	0	105.3	N233	Q231-N233 PolarHBondContact O-N 2.9Å; Q231-N233 VanDerWaalsContact O-N 3.07Å
232	C	27.7	Very low	28.9	Very low	68 Å²	68	132.9 Å²	132.9	46%	0.459	66%	0.659	S	S	.	*			trans	-77.2	94.9	-161.4	-64.3	0	0	0	0	112.3	L234	C232-L234 VanDerWaalsContact C-N 3.31Å; C232-L234 HydrophobicContact CB-CD1 3.98Å; C232-L234 PolarHBondContact O-N 3.47Å
233	N	29.3	Very low	28.9	Very low	124 Å²	124	128.1 Å²	128.1	66%	0.663	65%	0.653	S	S	*	*			trans	-62.8	100.1	145.4	-75.8	-30.1	0	0	0	106.8	Q231 W235 P236	Q231-N233 PolarHBondContact O-N 2.9Å; Q231-N233 VanDerWaalsContact O-N 3.07Å; N233-W235 PolarHBondContact O-N 3.49Å; N233-P236 HydrophobicContact CB-CG 4.36Å; N233-P236 WeakPolarHBondContact O-CD 3.23Å
234	L	30.6	Very low	28.8	Very low	105 Å²	105	125 Å²	125	55%	0.55	63%	0.633	S	S	.	*	H	α-helix	trans	-65.7	-21.8	176.7	-110.4	89.7	0	0	0	111.9	C232 S237 I238	C232-L234 VanDerWaalsContact C-N 3.31Å; C232-L234 HydrophobicContact CB-CD1 3.98Å; C232-L234 PolarHBondContact O-N 3.47Å; L234-S237 PolarHBondContact O-N 3.37Å; L234-I238 HydrophobicContact CB-CD1 3.85Å; L234-I238 HydrophobicContact CB-CG1 4.47Å; L234-I238 HydrophobicContact CD2-CD1 4.04Å; L234-I238 HydrophobicContact CG-CD1 4.45Å; L234-I238 WeakPolarHBondContact O-CB 3.45Å; L234-I238 WeakPolarHBondContact O-CD1 3.39Å; L234-I238 WeakPolarHBondContact O-CG1 3.21Å; L234-I238 PolarHBondContact O-N 2.98Å
235	W	33.1	Very low	28.7	Very low	150 Å²	150	124.2 Å²	124.2	57%	0.568	63%	0.634	S	S	*	*	H	α-helix	trans	-57.7	-52.1	-176.9	-80	111.8	0	0	0	113.7	N233 S237 I238 F239	N233-W235 PolarHBondContact O-N 3.49Å; W235-S237 VanDerWaalsContact C-N 3.3Å; W235-S237 PolarHBondContact O-N 3.49Å; W235-I238 PolarHBondContact O-N 3.36Å; W235-F239 HydrophobicContact CB-CD2 4.19Å; W235-F239 HydrophobicContact CB-CE2 3.97Å; W235-F239 HydrophobicContact CD2-CE2 4.06Å; W235-F239 HydrophobicContact CD2-CZ 4.46Å; W235-F239 HydrophobicContact CE3-CD2 4.14Å; W235-F239 HydrophobicContact CE3-CE1 4.34Å; W235-F239 AromaticContact CE3-CE2 3.33Å; W235-F239 HydrophobicContact CE3-CE2 3.33Å; W235-F239 AromaticContact CE3-CZ 3.45Å; W235-F239 HydrophobicContact CE3-CZ 3.45Å; W235-F239 VanDerWaalsContact CE3-CZ 3.45Å; W235-F239 HydrophobicContact CG-CE2 4.36Å; W235-F239 HydrophobicContact CZ3-CE1 4.4Å; W235-F239 HydrophobicContact CZ3-CE2 4.1Å; W235-F239 AromaticContact CZ3-CZ 3.71Å; W235-F239 HydrophobicContact CZ3-CZ 3.71Å; W235-F239 WeakPolarHBondContact O-CB 3.18Å; W235-F239 WeakPolarHBondContact O-CD2 3.43Å; W235-F239 WeakPolarHBondContact O-CG 3.29Å; W235-F239 PolarHBondContact O-N 2.96Å
236	P	31.3	Very low	28.8	Very low	84 Å²	84	122.9 Å²	122.9	55%	0.545	63%	0.629	S	S	.	*	H	α-helix	trans	-60.1	-30.5	174.8	-28.4	34.3	0	0	0	115.8	N233 K240	N233-P236 HydrophobicContact CB-CG 4.36Å; N233-P236 WeakPolarHBondContact O-CD 3.23Å; P236-K240 VanDerWaalsContact O-CB 3.26Å; P236-K240 WeakPolarHBondContact O-CB 3.21Å; P236-K240 PolarHBondContact O-N 2.9Å
237	S	32	Very low	28.7	Very low	72 Å²	72	125.7 Å²	125.7	50%	0.503	63%	0.634	S	S	.	*	H	α-helix	trans	-75.8	-42.4	174.6	-62.8	0	0	0	0	111	L234 W235 K240 E241	L234-S237 PolarHBondContact O-N 3.37Å; W235-S237 VanDerWaalsContact C-N 3.3Å; W235-S237 PolarHBondContact O-N 3.49Å; S237-K240 PolarHBondContact O-N 2.96Å; S237-E241 WeakPolarHBondContact O-CB 3.31Å; S237-E241 PolarHBondContact O-N 3.29Å
238	I	31.7	Very low	28.7	Very low	57 Å²	57	118.8 Å²	118.8	29%	0.292	62%	0.623	S	S	.	*	H	α-helix	trans	-60.8	-44.3	173.4	-69.6	167.7	0	0	0	110.8	L234 W235 K240 E241 L242	L234-I238 HydrophobicContact CB-CD1 3.85Å; L234-I238 HydrophobicContact CB-CG1 4.47Å; L234-I238 HydrophobicContact CD2-CD1 4.04Å; L234-I238 HydrophobicContact CG-CD1 4.45Å; L234-I238 WeakPolarHBondContact O-CB 3.45Å; L234-I238 WeakPolarHBondContact O-CD1 3.39Å; L234-I238 WeakPolarHBondContact O-CG1 3.21Å; L234-I238 PolarHBondContact O-N 2.98Å; W235-I238 PolarHBondContact O-N 3.36Å; I238-K240 VanDerWaalsContact C-N 3.33Å; I238-K240 PolarHBondContact O-N 3.32Å; I238-E241 PolarHBondContact O-N 2.94Å; I238-L242 HydrophobicContact CG2-CD1 3.46Å; I238-L242 VanDerWaalsContact CG2-CD1 3.46Å; I238-L242 HydrophobicContact CG2-CG 4.18Å; I238-L242 WeakPolarHBondContact O-CB 3.31Å; I238-L242 WeakPolarHBondContact O-CG 3.31Å; I238-L242 PolarHBondContact O-N 3.21Å
239	F	33.4	Very low	28.6	Very low	81 Å²	81	123.2 Å²	123.2	36%	0.355	64%	0.636	S	S	.	*	H	α-helix	trans	-68	-30.9	177.6	-74	-58.8	0	0	0	113.2	W235 G243 F244	W235-F239 HydrophobicContact CB-CD2 4.19Å; W235-F239 HydrophobicContact CB-CE2 3.97Å; W235-F239 HydrophobicContact CD2-CE2 4.06Å; W235-F239 HydrophobicContact CD2-CZ 4.46Å; W235-F239 HydrophobicContact CE3-CD2 4.14Å; W235-F239 HydrophobicContact CE3-CE1 4.34Å; W235-F239 AromaticContact CE3-CE2 3.33Å; W235-F239 HydrophobicContact CE3-CE2 3.33Å; W235-F239 AromaticContact CE3-CZ 3.45Å; W235-F239 HydrophobicContact CE3-CZ 3.45Å; W235-F239 VanDerWaalsContact CE3-CZ 3.45Å; W235-F239 HydrophobicContact CG-CE2 4.36Å; W235-F239 HydrophobicContact CZ3-CE1 4.4Å; W235-F239 HydrophobicContact CZ3-CE2 4.1Å; W235-F239 AromaticContact CZ3-CZ 3.71Å; W235-F239 HydrophobicContact CZ3-CZ 3.71Å; W235-F239 WeakPolarHBondContact O-CB 3.18Å; W235-F239 WeakPolarHBondContact O-CD2 3.43Å; W235-F239 WeakPolarHBondContact O-CG 3.29Å; W235-F239 PolarHBondContact O-N 2.96Å; F239-G243 PolarHBondContact O-N 3.19Å; F239-F244 HydrophobicContact CD1-CB 4.13Å; F239-F244 PolarHBondContact O-N 2.94Å
240	K	34.4	Very low	28.4	Very low	185 Å²	185	121.8 Å²	121.8	80%	0.804	64%	0.636	S	S	*	*	H	α-helix	trans	-74.6	-32.8	175	-169.4	178.3	-178.3	-175	0	112.4	P236 S237 I238	P236-K240 VanDerWaalsContact O-CB 3.26Å; P236-K240 WeakPolarHBondContact O-CB 3.21Å; P236-K240 PolarHBondContact O-N 2.9Å; S237-K240 PolarHBondContact O-N 2.96Å; I238-K240 VanDerWaalsContact C-N 3.33Å; I238-K240 PolarHBondContact O-N 3.32Å
241	E	32.5	Very low	28.1	Very low	171 Å²	171	118 Å²	118	80%	0.799	63%	0.634	S	S	*	*	H	α-helix	trans	-83.2	-23.8	178.2	-144	155.9	-161.2	0	0	112.3	S237 I238	S237-E241 WeakPolarHBondContact O-CB 3.31Å; S237-E241 PolarHBondContact O-N 3.29Å; I238-E241 PolarHBondContact O-N 2.94Å
242	L	28.9	Very low	28	Very low	74 Å²	74	116.9 Å²	116.9	39%	0.387	63%	0.631	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.7	6.6	174.1	-66.6	173.7	0	0	0	114.1	I238 F244	I238-L242 HydrophobicContact CG2-CD1 3.46Å; I238-L242 VanDerWaalsContact CG2-CD1 3.46Å; I238-L242 HydrophobicContact CG2-CG 4.18Å; I238-L242 WeakPolarHBondContact O-CB 3.31Å; I238-L242 WeakPolarHBondContact O-CG 3.31Å; I238-L242 PolarHBondContact O-N 3.21Å; L242-F244 HydrophobicContact CB-CD2 3.54Å; L242-F244 HydrophobicContact CB-CE2 3.89Å; L242-F244 WeakPolarHBondContact O-CD2 3.32Å; L242-F244 WeakPolarHBondContact O-CE2 3.37Å; L242-F244 PolarHBondContact O-N 3.41Å
243	G	26.5	Very low	27.8	Very low	68 Å²	68	122.2 Å²	122.2	70%	0.701	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	68.4	13	176.6	0	0	0	0	0	115.6	F239 N245	F239-G243 PolarHBondContact O-N 3.19Å; G243-N245 PolarHBondContact O-N 2.87Å
244	F	25.6	Very low	27.6	Very low	74 Å²	74	123 Å²	123	33%	0.325	65%	0.653	S	S	.	*			trans	-91.1	103.2	-179.6	-70.3	-73.1	0	0	0	111.3	L97 F239 L242 C246	L97-F244 HydrophobicContact CB-CZ 4.14Å; L97-F244 HydrophobicContact CD2-CD1 4.4Å; L97-F244 HydrophobicContact CD2-CE1 3.33Å; L97-F244 HydrophobicContact CD2-CE2 4.36Å; L97-F244 HydrophobicContact CD2-CZ 3.33Å; L97-F244 HydrophobicContact CG-CE1 4.03Å; L97-F244 HydrophobicContact CG-CZ 3.63Å; F239-F244 HydrophobicContact CD1-CB 4.13Å; F239-F244 PolarHBondContact O-N 2.94Å; L242-F244 HydrophobicContact CB-CD2 3.54Å; L242-F244 HydrophobicContact CB-CE2 3.89Å; L242-F244 WeakPolarHBondContact O-CD2 3.32Å; L242-F244 WeakPolarHBondContact O-CE2 3.37Å; L242-F244 PolarHBondContact O-N 3.41Å; F244-C246 PolarHBondContact O-N 3.37Å; F244-C246 VanDerWaalsContact O-N 3.09Å
245	N	24	Very low	27.3	Very low	171 Å²	171	128.6 Å²	128.6	91%	0.914	67%	0.669	S	S	*	*			trans	-76.6	83.7	168.8	-89.9	-24.2	0	0	0	110.5	G243	G243-N245 PolarHBondContact O-N 2.87Å
246	C	26.1	Very low	27	Very low	100 Å²	100	130.7 Å²	130.7	68%	0.676	69%	0.685	S	S	*	*			trans	-132	110.7	173.3	-61.7	0	0	0	0	110.6	F244	F244-C246 PolarHBondContact O-N 3.37Å; F244-C246 VanDerWaalsContact O-N 3.09Å
247	K	24.4	Very low	26.7	Very low	206 Å²	206	135.4 Å²	135.4	90%	0.896	70%	0.7	S	S	*	*			trans	-77.4	142.6	173.2	-76.7	178.2	177.3	174.6	0	110.1	M249	K247-M249 PolarHBondContact O-N 3.2Å
248	P	23.7	Very low	26.2	Very low	117 Å²	117	143.4 Å²	143.4	76%	0.76	72%	0.719	S	S	*	*			trans	-73.2	125.6	177.7	29	-30.7	0	0	0	110.6	I250	P248-I250 PolarHBondContact O-N 2.99Å
249	M	23.9	Very low	26.1	Very low	185 Å²	185	146.7 Å²	146.7	91%	0.911	75%	0.747	S	S	*	*			trans	-78.8	112.8	166.9	-111.6	-174.4	77.8	0	0	108.9	K247	K247-M249 PolarHBondContact O-N 3.2Å
250	I	23	Very low	25.8	Very low	143 Å²	143	147.9 Å²	147.9	73%	0.733	77%	0.765	S	S	*	*			trans	-84.6	115.3	165.6	-60.7	169.5	0	0	0	106.2	P248 I252	P248-I250 PolarHBondContact O-N 2.99Å; I250-I252 HydrophobicContact CG2-CG1 4.26Å; I250-I252 PolarHBondContact O-N 3.33Å
251	A	22.8	Very low	25.5	Very low	92 Å²	92	143.5 Å²	143.5	76%	0.76	76%	0.758	S	S	*	*			trans	-75.7	106.9	170.4	0	0	0	0	0	108.6
252	I	23.6	Very low	25.3	Very low	128 Å²	128	142.6 Å²	142.6	66%	0.656	76%	0.758	S	S	*	*			trans	-87.7	118.2	167.3	-60.2	174.1	0	0	0	106.2	I250 D254	I250-I252 HydrophobicContact CG2-CG1 4.26Å; I250-I252 PolarHBondContact O-N 3.33Å; I252-D254 WeakPolarHBondContact CG2-OD1 3.33Å; I252-D254 PolarHBondContact O-N 3.13Å
253	E	22.9	Very low	25.3	Very low	180 Å²	180	143.6 Å²	143.6	84%	0.841	77%	0.772	S	S	*	*			trans	-75.2	101.1	167.4	-73.4	178.8	158.6	0	0	108.2
254	D	25.3	Very low	25.3	Very low	139 Å²	139	145.4 Å²	145.4	74%	0.743	77%	0.773	S	S	*	*			trans	-86.1	118.6	171.9	-77.1	-27	0	0	0	110.6	I252 H256	I252-D254 WeakPolarHBondContact CG2-OD1 3.33Å; I252-D254 PolarHBondContact O-N 3.13Å; D254-H256 PolarHBondContact O-N 3.09Å
255	Y	24.5	Very low	25.4	Very low	224 Å²	224	147 Å²	147	88%	0.878	79%	0.794	S	S	*	*			trans	-59.1	125.3	169	-91.6	-107.5	0	0	0	110.5	E257	Y255-E257 PolarHBondContact O-N 2.74Å
256	H	25.5	Very low	25.6	Very low	193 Å²	193	146 Å²	146	89%	0.894	79%	0.788	S	S	*	*			trans	-80.1	106.5	165.5	-87.5	-63.2	0	0	0	110	D254	D254-H256 PolarHBondContact O-N 3.09Å
257	E	25.3	Very low	25.7	Very low	184 Å²	184	149.3 Å²	149.3	86%	0.86	80%	0.799	S	S	*	*			trans	-97.8	131.4	151.6	-86.4	-168.8	161.7	0	0	110.4	Y255	Y255-E257 PolarHBondContact O-N 2.74Å
258	R	23.3	Very low	25.7	Very low	239 Å²	239	148 Å²	148	90%	0.902	80%	0.796	S	S	*	*			trans	-67.7	138.5	174.4	-71.7	168.8	165.2	-159.2	-5.1	109.5
259	S	28.4	Very low	25.8	Very low	127 Å²	127	152.5 Å²	152.5	89%	0.888	80%	0.804	S	S	*	*			trans	-172.8	142.7	135.8	-77.2	0	0	0	0	110.2
260	S	27.1	Very low	25.8	Very low	105 Å²	105	149.5 Å²	149.5	73%	0.734	80%	0.802	S	S	*	*			trans	-88.5	152.6	-163.2	37.1	0	0	0	0	114.8
261	S	29	Very low	26	Very low	93 Å²	93	152.3 Å²	152.3	65%	0.65	81%	0.809	S	S	*	*			trans	70.7	131.9	141.4	53.8	0	0	0	0	121.2
262	D	27.7	Very low	26.1	Very low	152 Å²	152	152.2 Å²	152.2	81%	0.813	80%	0.803	S	S	*	*			trans	81.4	136	153.5	-53.9	-20.8	0	0	0	117.3
263	S	28.1	Very low	26	Very low	96 Å²	96	153.4 Å²	153.4	67%	0.671	81%	0.81	S	S	*	*			cis	-171.1	151.5	-11.3	44.4	0	0	0	0	106.6
264	S	26.8	Very low	26.2	Very low	105 Å²	105	154.1 Å²	154.1	73%	0.734	81%	0.807	S	S	*	*			trans	52.8	114.6	154.4	59.1	0	0	0	0	120.8
265	S	29	Very low	26.1	Very low	107 Å²	107	154.8 Å²	154.8	75%	0.748	81%	0.809	S	S	*	*				144.8	114.6	108.6	62.5	0	0	0	0	114
266	N	26.4	Very low	26.2	Very low	150 Å²	150	153.3 Å²	153.3	80%	0.802	81%	0.808	S	S	*	*			trans	35.1	111.1	142.9	-60.9	-19	0	0	0	119.7
267	N	29.2	Very low	26.1	Very low	170 Å²	170	148 Å²	148	91%	0.909	79%	0.792	S	S	*	*				-158.3	128.7	116.7	-101.6	-26.3	0	0	0	112.4
268	Q	25.3	Very low	26	Very low	179 Å²	179	145.3 Å²	145.3	84%	0.836	79%	0.792	S	S	*	*			trans	-63.1	124.5	-179.6	-70.3	165.4	-15	0	0	111
269	F	25.3	Very low	26	Very low	211 Å²	211	141.8 Å²	141.8	93%	0.925	79%	0.786	S	S	*	*			trans	-147.1	113	145.9	-107.6	-79.7	0	0	0	109.5	K271	F269-K271 PolarHBondContact O-N 3.33Å
270	S	24	Very low	26	Very low	123 Å²	123	140.8 Å²	140.8	86%	0.86	78%	0.779	S	S	*	*			trans	-55.1	122.7	-176.1	-36.6	0	0	0	0	112.2
271	K	26	Very low	25.9	Very low	202 Å²	202	141.4 Å²	141.4	88%	0.878	78%	0.783	S	S	*	*			trans	-123.4	107.6	164	-133.8	168.2	-171.6	171	0	108.9	F269 N273	F269-K271 PolarHBondContact O-N 3.33Å; K271-N273 PolarHBondContact O-N 2.81Å
272	S	24.9	Very low	25.8	Very low	90 Å²	90	142.8 Å²	142.8	63%	0.629	79%	0.788	S	S	*	*			trans	-54.5	119.1	-176.5	50.1	0	0	0	0	112.6
273	N	22.7	Very low	26	Very low	152 Å²	152	138.5 Å²	138.5	81%	0.813	77%	0.77	S	S	*	*			trans	-67.6	123.2	153.2	-74.1	-38.7	0	0	0	108.3	K271	K271-N273 PolarHBondContact O-N 2.81Å
274	Y	25.7	Very low	26	Very low	196 Å²	196	144.8 Å²	144.8	77%	0.769	78%	0.78	S	S	*	*			trans	-122.6	95.6	157.4	-77.8	-77.2	0	0	0	108.2
275	L	24.5	Very low	26.2	Very low	152 Å²	152	143.8 Å²	143.8	80%	0.796	78%	0.778	S	S	*	*			trans	-54.9	136	146.4	-102.4	82.9	0	0	0	107.6
276	F	25.1	Very low	26.3	Very low	194 Å²	194	143.2 Å²	143.2	85%	0.851	77%	0.774	S	S	*	*			trans	-126	110.1	146.3	-106	-82.6	0	0	0	109
277	S	23.5	Very low	26.4	Very low	81 Å²	81	144.2 Å²	144.2	57%	0.566	78%	0.776	S	S	*	*			trans	-68.4	143.7	162.4	-163.7	0	0	0	0	108.8
278	C	23.4	Very low	26.4	Very low	127 Å²	127	143.5 Å²	143.5	86%	0.858	77%	0.771	S	S	*	*			trans	-147	108.4	149.8	-163	0	0	0	0	108.3
279	E	24.1	Very low	26.5	Very low	166 Å²	166	142.4 Å²	142.4	78%	0.776	77%	0.771	S	S	*	*			trans	-62.7	129.9	169.6	-74.2	126.6	146.1	0	0	110.9
280	S	27.1	Very low	26.6	Very low	106 Å²	106	141 Å²	141	74%	0.741	77%	0.77	S	S	*	*			trans	-147.4	92.5	146.6	-179.6	0	0	0	0	108.1	V282	S280-V282 PolarHBondContact O-N 3.25Å
281	S	26.8	Very low	27.1	Very low	117 Å²	117	142 Å²	142	82%	0.818	77%	0.771	S	S	*	*			trans	-76.1	89.4	167.9	52.3	0	0	0	0	109
282	V	26.3	Very low	27.2	Very low	123 Å²	123	141.5 Å²	141.5	75%	0.745	77%	0.768	S	S	*	*			trans	-136.9	93.7	164.4	-168.5	0	0	0	0	110.4	S280	S280-V282 PolarHBondContact O-N 3.25Å
283	S	31.6	Very low	27.4	Very low	62 Å²	62	141.7 Å²	141.7	43%	0.434	77%	0.77	S	S	.	*			trans	71.8	77.8	138.4	-148.1	0	0	0	0	120.1	A285 S286	S283-A285 PolarHBondContact O-N 3.42Å; S283-A285 PolarHBondContact OG-N 2.85Å; S283-S286 WeakPolarHBondContact OG-CB 3.26Å; S283-S286 PolarHBondContact OG-N 3.21Å; S283-S286 VanDerWaalsContact OG-N 3.16Å
284	Y	28.7	Very low	27.8	Very low	228 Å²	228	141.1 Å²	141.1	89%	0.894	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	-4.3	144.8	-174.8	-101.9	0	0	0	112.2
285	A	30.8	Very low	28.3	Very low	84 Å²	84	138.3 Å²	138.3	69%	0.694	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	2.5	-176.1	0	0	0	0	0	114.2	S283	S283-A285 PolarHBondContact O-N 3.42Å; S283-A285 PolarHBondContact OG-N 2.85Å
286	S	31.6	Very low	28.8	Very low	94 Å²	94	137.5 Å²	137.5	66%	0.657	76%	0.762	S	S	*	*	S	Bend	trans	-107.5	10.7	-175.6	-159.2	0	0	0	0	115.4	S283	S283-S286 WeakPolarHBondContact OG-CB 3.26Å; S283-S286 PolarHBondContact OG-N 3.21Å; S283-S286 VanDerWaalsContact OG-N 3.16Å
287	M	28.1	Very low	29.2	Very low	171 Å²	171	134.7 Å²	134.7	84%	0.842	76%	0.755	S	S	*	*	S	Bend	trans	-114.9	37.1	177.5	-81.6	-171.7	-80.3	0	0	112.5
288	L	28.7	Very low	29.8	Very low	155 Å²	155	137.8 Å²	137.8	81%	0.812	77%	0.766	S	S	*	*	S	Bend	trans	-125.9	17.2	-177.4	-120.7	146.5	0	0	0	114.4
289	D	27.2	Very low	30.3	Very low	157 Å²	157	137.9 Å²	137.9	84%	0.84	76%	0.758	S	S	*	*			trans	-132.9	146	171.2	-99.5	-30.7	0	0	0	110
290	M	27.7	Very low	30.9	Very low	181 Å²	181	137.5 Å²	137.5	89%	0.892	76%	0.76	S	S	*	*			trans	92.7	61.1	-178.7	-66.1	164.1	40.9	0	0	117.6
291	V	34	Very low	31	Very low	145 Å²	145	136.9 Å²	136.9	88%	0.879	76%	0.756	S	S	*	*				-145.4	90.3	127.5	-174.8	0	0	0	0	107.4
292	K	29.1	Very low	31.2	Very low	190 Å²	190	139.6 Å²	139.6	83%	0.826	76%	0.756	S	S	*	*			trans	-107.4	158.5	154	-76.1	-167.4	176.2	-169.5	0	106.8
293	S	29.8	Very low	31.3	Very low	95 Å²	95	142.7 Å²	142.7	66%	0.664	76%	0.759	S	S	*	*			trans	73.1	126	-179.3	24.4	0	0	0	0	114.7
294	D	30.6	Very low	31.3	Very low	140 Å²	140	150 Å²	150	75%	0.749	78%	0.777	S	S	*	*			cis	-161.9	160.1	3.1	-82.8	-39.2	0	0	0	107.6
295	D	35.2	Very low	31.2	Very low	136 Å²	136	145.2 Å²	145.2	73%	0.727	78%	0.776	S	S	*	*			trans	77.6	100.7	154.3	-50	-25.7	0	0	0	121.5
296	D	34.5	Very low	31.2	Very low	136 Å²	136	149.5 Å²	149.5	73%	0.727	78%	0.779	S	S	*	*				78.4	120.2	121.9	-57	-25.4	0	0	0	123.3
297	D	35.1	Very low	31.2	Very low	135 Å²	135	154.1 Å²	154.1	72%	0.722	79%	0.787	S	S	*	*			trans	91.1	109	142	-57.4	-29	0	0	0	122.4
298	D	35.3	Very low	31.1	Very low	146 Å²	146	151.2 Å²	151.2	78%	0.781	78%	0.784	S	S	*	*			trans	87.3	100.6	133.4	-67.6	-25.2	0	0	0	122
299	D	33.2	Very low	31.4	Very low	129 Å²	129	151.1 Å²	151.1	69%	0.69	78%	0.784	S	S	*	*				68	102.6	120.8	-151.3	21	0	0	0	117.4
300	L	37.9	Very low	31.6	Very low	157 Å²	157	149.2 Å²	149.2	82%	0.822	78%	0.778	S	S	*	*				-172.3	112.1	106.6	-92.3	170.7	0	0	0	110.4
301	S	28.7	Very low	31.7	Very low	94 Å²	94	147.6 Å²	147.6	66%	0.657	77%	0.773	S	S	*	*			trans	-50.5	138.4	169.9	71.9	0	0	0	0	112.9
302	Q	30.3	Very low	31.6	Very low	174 Å²	174	147.3 Å²	147.3	81%	0.813	77%	0.772	S	S	*	*				178.2	110.6	115.1	-92.9	177.4	31.1	0	0	109.8
303	K	29	Very low	31.9	Very low	188 Å²	188	148 Å²	148	82%	0.817	78%	0.775	S	S	*	*				42.9	125.7	121.6	-135.1	161.2	-175.1	173.4	0	113
304	W	31.2	Very low	31.9	Very low	214 Å²	214	149.6 Å²	149.6	81%	0.811	78%	0.781	S	S	*	*				-153.1	116.9	78.7	-71.4	9.1	0	0	0	110	F306	W304-F306 HydrophobicContact CD2-CE2 4.36Å; W304-F306 AromaticContact CE3-CD2 3.96Å; W304-F306 HydrophobicContact CE3-CD2 3.96Å; W304-F306 AromaticContact CE3-CE2 3.48Å; W304-F306 HydrophobicContact CE3-CE2 3.48Å; W304-F306 VanDerWaalsContact CE3-CE2 3.48Å; W304-F306 AromaticContact CZ3-CE2 3.82Å; W304-F306 HydrophobicContact CZ3-CE2 3.82Å
305	C	27.6	Very low	31.9	Very low	128 Å²	128	148.4 Å²	148.4	87%	0.865	78%	0.784	S	S	*	*			trans	-80.7	122.8	157.2	-70.6	0	0	0	0	108.1
306	F	29.6	Very low	32.1	Very low	175 Å²	175	145.7 Å²	145.7	77%	0.768	78%	0.775	S	S	*	*			trans	-113	112.9	156.8	-95.4	-84.4	0	0	0	108.7	W304	W304-F306 HydrophobicContact CD2-CE2 4.36Å; W304-F306 AromaticContact CE3-CD2 3.96Å; W304-F306 HydrophobicContact CE3-CD2 3.96Å; W304-F306 AromaticContact CE3-CE2 3.48Å; W304-F306 HydrophobicContact CE3-CE2 3.48Å; W304-F306 VanDerWaalsContact CE3-CE2 3.48Å; W304-F306 AromaticContact CZ3-CE2 3.82Å; W304-F306 HydrophobicContact CZ3-CE2 3.82Å
307	K	31.9	Very low	32.3	Very low	190 Å²	190	150.6 Å²	150.6	83%	0.826	79%	0.785	S	S	*	*			trans	-53.7	132.1	173.5	-78.5	171.9	170.3	177.8	0	110.3
308	S	27.2	Very low	32.5	Very low	110 Å²	110	149.4 Å²	149.4	77%	0.769	78%	0.779	S	S	*	*			trans	-80.8	108.1	162.2	47	0	0	0	0	108.8
309	D	34	Very low	32.6	Very low	153 Å²	153	149.6 Å²	149.6	82%	0.818	78%	0.775	S	S	*	*			trans	-92.2	130.8	160.7	-74.9	-31.7	0	0	0	109.3
310	T	31.1	Very low	32.8	Very low	118 Å²	118	152.7 Å²	152.7	72%	0.724	78%	0.782	S	S	*	*			trans	-77.7	164.1	-176.9	48.5	0	0	0	0	111.4
311	N	30.6	Very low	33	Very low	147 Å²	147	155.2 Å²	155.2	79%	0.786	78%	0.781	S	S	*	*			trans	78.1	101.3	169.3	-61.8	-30.1	0	0	0	116.5
312	T	32.5	Very low	33.7	Very low	138 Å²	138	155.4 Å²	155.4	85%	0.847	77%	0.774	S	S	*	*				-167.8	118.9	118.6	19.5	0	0	0	0	109.9	T314	T312-T314 PolarHBondContact O-N 3.42Å
313	K	34	Very low	34	Very low	205 Å²	205	151.7 Å²	151.7	89%	0.891	76%	0.759	S	S	*	*			trans	-54.1	121.5	159.9	-67.3	168.4	176.9	173.3	0	107.4
314	T	29.7	Very low	34.5	Very low	129 Å²	129	151.8 Å²	151.8	79%	0.791	75%	0.754	S	S	*	*			trans	-172.9	129.2	140.9	39.8	0	0	0	0	109.7	T312	T312-T314 PolarHBondContact O-N 3.42Å
315	S	31.2	Very low	34.8	Very low	115 Å²	115	150.9 Å²	150.9	80%	0.804	75%	0.751	S	S	*	*			trans	25.1	121.3	141.2	-168.1	0	0	0	0	118.1
316	S	39.8	Very low	35.1	Very low	78 Å²	78	152 Å²	152	55%	0.545	74%	0.741	S	S	.	*				168.3	129.4	109.5	-175.7	0	0	0	0	111.1	N318	S316-N318 PolarHBondContact O-N 3.09Å
317	Y	38.5	Very low	35.4	Very low	239 Å²	239	149.8 Å²	149.8	94%	0.937	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.4	12.2	-178.3	-115.2	-104	0	0	0	116.4
318	N	40.1	Very low	35.8	Very low	111 Å²	111	151.5 Å²	151.5	59%	0.594	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.3	-11.3	-167.2	-73.3	-41.3	0	0	0	115.4	S316	S316-N318 PolarHBondContact O-N 3.09Å
319	E	37.6	Very low	36.3	Very low	150 Å²	150	155.3 Å²	155.3	70%	0.701	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	-26.7	-171.5	-160	152.1	-152.4	0	0	113.8	R321 L322	E319-R321 PolarHBondContact O-N 3.21Å; E319-L322 PolarHBondContact O-N 3.47Å
320	K	37.6	Very low	36.3	Very low	194 Å²	194	152 Å²	152	84%	0.843	72%	0.723	S	S	*	*	H	α-helix	trans	-68.4	-19.3	177.2	-67	-177.8	-179.3	179.3	0	113.4
321	R	42.1	Very low	36.8	Very low	209 Å²	209	153.8 Å²	153.8	79%	0.789	72%	0.722	S	S	*	*	H	α-helix	trans	-85.7	-19.1	179.3	-154.1	170.5	-175.2	164.9	0.8	113.2	E319	E319-R321 PolarHBondContact O-N 3.21Å
322	L	42.3	Very low	37.4	Very low	99 Å²	99	153.4 Å²	153.4	52%	0.518	72%	0.719	S	S	.	*	H	α-helix	trans	-84.7	-28.6	178.2	-86.4	150	0	0	0	113	E319 R324 R325 K326	E319-L322 PolarHBondContact O-N 3.47Å; L322-R324 VanDerWaalsContact C-N 3.35Å; L322-R324 PolarHBondContact O-N 2.78Å; L322-R325 PolarHBondContact O-N 2.96Å; L322-K326 PolarHBondContact O-N 2.8Å
323	I	37.3	Very low	37.5	Very low	96 Å²	96	152 Å²	152	49%	0.492	71%	0.712	S	S	.	*	H	α-helix	trans	-67.2	-36.7	179.9	-59.4	169.4	0	0	0	111.1	R325 K326 F327	I323-R325 VanDerWaalsContact C-N 3.27Å; I323-R325 PolarHBondContact O-N 2.95Å; I323-K326 PolarHBondContact O-N 2.78Å; I323-F327 HydrophobicContact CG2-CD2 4.31Å; I323-F327 PolarHBondContact O-N 3.05Å
324	R	38.2	Very low	37.6	Very low	189 Å²	189	152.1 Å²	152.1	71%	0.713	71%	0.713	S	S	*	*	H	α-helix	trans	-68.3	-22.9	178.4	-139.2	174.6	-169.9	173.7	3.8	113.5	T27 L322	T27-R324 PolarHBondContact OG1-NH2 3.23Å; L322-R324 VanDerWaalsContact C-N 3.35Å; L322-R324 PolarHBondContact O-N 2.78Å
325	R	38.6	Very low	38.1	Very low	196 Å²	196	152.2 Å²	152.2	74%	0.74	71%	0.707	S	S	*	*	H	α-helix	trans	-87.2	-27.1	175.6	-91.4	-178.3	145.8	112.7	-3.4	113.2	L322 I323	L322-R325 PolarHBondContact O-N 2.96Å; I323-R325 VanDerWaalsContact C-N 3.27Å; I323-R325 PolarHBondContact O-N 2.95Å
326	K	34.5	Very low	38.2	Very low	151 Å²	151	154.4 Å²	154.4	66%	0.657	71%	0.71	S	S	*	*	H	α-helix	trans	-83.9	-30.7	-179.1	-70.7	-177	177.8	-179	0	113.1	L322 I323 R328 K329	L322-K326 PolarHBondContact O-N 2.8Å; I323-K326 PolarHBondContact O-N 2.78Å; K326-R328 VanDerWaalsContact C-N 3.26Å; K326-R328 PolarHBondContact O-N 3.2Å; K326-K329 PolarHBondContact O-N 2.92Å
327	F	35.6	Very low	38.3	Very low	128 Å²	128	158.2 Å²	158.2	56%	0.561	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	-19.5	179.1	-114	-100.7	0	0	0	115.2	I323 K329 F331	I323-F327 HydrophobicContact CG2-CD2 4.31Å; I323-F327 PolarHBondContact O-N 3.05Å; F327-K329 VanDerWaalsContact C-N 3.35Å; F327-F331 HydrophobicContact CD1-CD2 4.08Å; F327-F331 AromaticContact CD1-CE2 3.58Å; F327-F331 HydrophobicContact CD1-CE2 3.58Å; F327-F331 HydrophobicContact CE1-CD2 4.27Å; F327-F331 AromaticContact CE1-CE2 3.33Å; F327-F331 HydrophobicContact CE1-CE2 3.33Å; F327-F331 AromaticContact CE1-CZ 3.99Å; F327-F331 HydrophobicContact CE1-CZ 3.99Å; F327-F331 HydrophobicContact CZ-CE2 4.19Å
328	R	38.9	Very low	38.1	Very low	227 Å²	227	153.8 Å²	153.8	86%	0.857	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	-12.3	177.6	-85.4	-170.3	173.9	-174.5	0.2	114.4	K326	K326-R328 VanDerWaalsContact C-N 3.26Å; K326-R328 PolarHBondContact O-N 3.2Å
329	K	38.5	Very low	38	Very low	189 Å²	189	153.3 Å²	153.3	82%	0.822	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.5	-9.4	-175.8	-78.9	-173.3	174.7	-174.8	0	114.5	K326 F327	K326-K329 PolarHBondContact O-N 2.92Å; F327-K329 VanDerWaalsContact C-N 3.35Å
330	S	34.9	Very low	38.1	Very low	83 Å²	83	153.6 Å²	153.6	58%	0.58	72%	0.724	S	S	*	*	S	Bend	trans	-110	-3.3	-169.5	56.3	0	0	0	0	115.7
331	F	40.3	Very low	38.7	Very low	157 Å²	157	154.4 Å²	154.4	69%	0.689	73%	0.727	S	S	*	*	S	Bend	trans	-98.2	16.1	-179.4	-90	-89.2	0	0	0	114.5	F327	F327-F331 HydrophobicContact CD1-CD2 4.08Å; F327-F331 AromaticContact CD1-CE2 3.58Å; F327-F331 HydrophobicContact CD1-CE2 3.58Å; F327-F331 HydrophobicContact CE1-CD2 4.27Å; F327-F331 AromaticContact CE1-CE2 3.33Å; F327-F331 HydrophobicContact CE1-CE2 3.33Å; F327-F331 AromaticContact CE1-CZ 3.99Å; F327-F331 HydrophobicContact CE1-CZ 3.99Å; F327-F331 HydrophobicContact CZ-CE2 4.19Å
332	L	43.6	Very low	39.2	Very low	139 Å²	139	151.4 Å²	151.4	73%	0.728	72%	0.723	S	S	*	*	S	Bend	trans	-105	123.8	173.5	-69.4	171.6	0	0	0	108.9	K334	L332-K334 PolarHBondContact O-N 3.5Å
333	P	33.6	Very low	40.2	Very low	109 Å²	109	158.1 Å²	158.1	71%	0.708	74%	0.741	S	S	*	*			trans	-61.9	120.1	171.5	-6.3	19.7	0	0	0	107.8	I335	P333-I335 HydrophobicContact CB-CG1 4.4Å; P333-I335 PolarHBondContact O-N 3.44Å
334	K	36.1	Very low	41.6	Very low	206 Å²	206	163 Å²	163	90%	0.896	76%	0.759	S	S	*	*			trans	-73	83.5	168.9	-76.9	-178.6	177.5	178.8	0	108.1	L332	L332-K334 PolarHBondContact O-N 3.5Å
335	I	41.2	Very low	43.5	Very low	131 Å²	131	162 Å²	162	67%	0.672	76%	0.762	S	S	*	*			trans	-84.1	117.8	164.1	-63.7	174.3	0	0	0	106.7	P333 Q337	P333-I335 HydrophobicContact CB-CG1 4.4Å; P333-I335 PolarHBondContact O-N 3.44Å; I335-Q337 HydrophobicContact CG2-CG 4.21Å; I335-Q337 PolarHBondContact O-N 3.25Å
336	N	33	Very low	45.6	Very low	162 Å²	162	163 Å²	163	87%	0.866	77%	0.765	S	S	*	*			trans	-66	92.1	172.4	-68.8	-28.9	0	0	0	109.2
337	Q	42.6	Very low	48.1	Very low	157 Å²	157	163.1 Å²	163.1	73%	0.734	77%	0.768	S	S	*	*			trans	-133.8	112.2	162.7	-78.3	-176.1	8	0	0	109	I335 S339	I335-Q337 HydrophobicContact CG2-CG 4.21Å; I335-Q337 PolarHBondContact O-N 3.25Å; Q337-S339 PolarHBondContact O-N 3.17Å; Q337-S339 VanDerWaalsContact O-N 3.16Å
338	T	34	Very low	50.8	Low	147 Å²	147	160.5 Å²	160.5	90%	0.902	77%	0.771	S	S	*	*			trans	-67.7	95.6	170.4	45.7	0	0	0	0	109.7
339	S	38.5	Very low	53.5	Low	100 Å²	100	152.9 Å²	152.9	70%	0.699	74%	0.742	S	S	*	*	S	Bend	trans	177.1	139.9	149.3	48.6	0	0	0	0	109.1	Q337 F341	Q337-S339 PolarHBondContact O-N 3.17Å; Q337-S339 VanDerWaalsContact O-N 3.16Å; S339-F341 PolarHBondContact O-N 3.16Å
340	E	37.8	Very low	56.3	Low	157 Å²	157	146.9 Å²	146.9	73%	0.734	72%	0.724	S	S	*	*			trans	-49.6	118.6	-175.7	-76.8	149.5	128.9	0	0	114.6	E342	E340-E342 HydrophobicContact CB-CB 4.28Å; E340-E342 HydrophobicContact CB-CG 3.93Å; E340-E342 HydrophobicContact CG-CG 4.31Å; E340-E342 PolarHBondContact O-N 3.37Å
341	F	50	Low	59.3	Low	210 Å²	210	148 Å²	148	92%	0.921	73%	0.728	S	S	*	*			trans	-72.5	67.7	146.8	-80.5	-83.4	0	0	0	108.6	S339 R343	S339-F341 PolarHBondContact O-N 3.16Å; F341-R343 PolarHBondContact O-N 3.02Å; F341-R343 VanDerWaalsContact O-N 3.09Å
342	E	53.4	Low	62	Low	147 Å²	147	146.1 Å²	146.1	69%	0.687	73%	0.725	S	S	*	*			trans	-57.7	114.9	166.1	-98.6	-171.4	158	0	0	107.2	E340 K344	E340-E342 HydrophobicContact CB-CB 4.28Å; E340-E342 HydrophobicContact CB-CG 3.93Å; E340-E342 HydrophobicContact CG-CG 4.31Å; E340-E342 PolarHBondContact O-N 3.37Å; E342-K344 PolarHBondContact O-N 3.49Å
343	R	62.6	Low	64.6	Low	240 Å²	240	141.3 Å²	141.3	91%	0.906	70%	0.699	S	S	*	*			trans	-57.6	113	171.5	-59.5	-177.9	-145	127.9	4.9	106	F341 H345	F341-R343 PolarHBondContact O-N 3.02Å; F341-R343 VanDerWaalsContact O-N 3.09Å; R343-H345 PolarHBondContact O-N 3.36Å; R343-H345 VanDerWaalsContact O-N 3.08Å
344	K	67.1	Low	67.6	Low	198 Å²	198	139.6 Å²	139.6	86%	0.861	68%	0.683	S	S	*	*			trans	-38.8	121.5	178.4	-73.6	-173.7	177.9	-174.6	0	109.8	E342 R346	E342-K344 PolarHBondContact O-N 3.49Å; K344-R346 PolarHBondContact O-N 2.94Å
345	H	79.2	Confident	70.6	Confident	168 Å²	168	135.9 Å²	135.9	78%	0.778	67%	0.669	S	S	*	*			trans	-51.1	128.5	179.6	-178.8	84.5	0	0	0	109.5	R343 Q347	R343-H345 PolarHBondContact O-N 3.36Å; R343-H345 VanDerWaalsContact O-N 3.08Å; H345-Q347 PolarHBondContact O-N 3.19Å
346	R	81.8	Confident	73.3	Confident	217 Å²	217	133.9 Å²	133.9	82%	0.819	65%	0.653	S	S	*	*			trans	-74.9	111	177.7	-69.8	179.4	-179.9	-88.8	-1.7	108	K344	K344-R346 PolarHBondContact O-N 2.94Å
347	Q	86.7	Confident	76.4	Confident	153 Å²	153	126.1 Å²	126.1	72%	0.715	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-75	126.2	169.5	-67	178.1	-33.8	0	0	109.6	H345	H345-Q347 PolarHBondContact O-N 3.19Å
348	A	93	Very high	79	Confident	74 Å²	74	121.1 Å²	121.1	61%	0.612	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-83.7	148.9	170.1	0	0	0	0	0	110.1	F450	A348-F450 HydrophobicContact CB-CZ 4.39Å
349	Y	96.4	Very high	82.1	Confident	67 Å²	67	117.2 Å²	117.2	26%	0.263	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-80.6	142	171.4	-58.7	-58.3	0	0	0	109.8	L354 L381 Q385 W389	Y349-L354 HydrophobicContact CD2-CD2 4.06Å; Y349-L354 HydrophobicContact CG-CD2 4.36Å; Y349-L381 HydrophobicContact CD1-CD1 3.78Å; Y349-L381 HydrophobicContact CD1-CD2 3.83Å; Y349-L381 HydrophobicContact CD1-CG 4.48Å; Y349-L381 HydrophobicContact CE1-CD1 3.77Å; Y349-L381 HydrophobicContact CE1-CD2 3.75Å; Y349-L381 HydrophobicContact CE1-CG 4.39Å; Y349-Q385 HydrophobicContact CE1-CB 4.42Å; Y349-W389 AromaticContact CD2-CD1 3.82Å; Y349-W389 AromaticContact CE2-CD1 3.6Å; Y349-W389 HydrophobicContact CE2-CG 4.46Å
350	S	96.9	Very high	84.9	Confident	62 Å²	62	113 Å²	113	43%	0.434	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-63.9	157.4	172.2	-177.8	0	0	0	0	111.3	D352 Q353 L354	S350-D352 VanDerWaalsContact C-N 3.31Å; S350-D352 PolarHBondContact O-N 3.04Å; S350-Q353 WeakPolarHBondContact O-CB 3.26Å; S350-Q353 PolarHBondContact O-N 3.36Å; S350-L354 WeakPolarHBondContact O-CG 3.22Å; S350-L354 PolarHBondContact O-N 3.42Å
351	T	96.7	Very high	87.8	Confident	108 Å²	108	105.5 Å²	105.5	66%	0.663	50%	0.498	S	S	*	.	H	α-helix	trans	-55	-46.6	175.4	-51.5	0	0	0	0	111.4	Q353 L354 E355	T351-Q353 VanDerWaalsContact C-N 3.3Å; T351-Q353 PolarHBondContact O-N 3.36Å; T351-L354 WeakPolarHBondContact O-CB 3.43Å; T351-L354 PolarHBondContact O-N 3.46Å; T351-L354 VanDerWaalsContact O-N 3.11Å; T351-E355 PolarHBondContact O-N 2.82Å
352	D	97	Very high	90	Very high	117 Å²	117	100.9 Å²	100.9	63%	0.626	48%	0.479	S	S	*	.	H	α-helix	trans	-62.1	-38.3	179.4	-54.5	-14.7	0	0	0	111.9	S350 R356	S350-D352 VanDerWaalsContact C-N 3.31Å; S350-D352 PolarHBondContact O-N 3.04Å; D352-R356 PolarHBondContact O-N 3.48Å; D352-R356 VanDerWaalsContact O-N 3.11Å
353	Q	97.9	Very high	92.1	Very high	38 Å²	38	100.8 Å²	100.8	18%	0.178	48%	0.477	C	S	.	.	H	α-helix	trans	-64.2	-44.3	175.6	-68.8	176.5	-34.2	0	0	110.7	S350 T351 L357 L379	S350-Q353 WeakPolarHBondContact O-CB 3.26Å; S350-Q353 PolarHBondContact O-N 3.36Å; T351-Q353 VanDerWaalsContact C-N 3.3Å; T351-Q353 PolarHBondContact O-N 3.36Å; Q353-L357 WeakPolarHBondContact O-CB 3.31Å; Q353-L357 WeakPolarHBondContact O-CD1 3.28Å; Q353-L357 WeakPolarHBondContact O-CG 3.45Å; Q353-L357 PolarHBondContact O-N 3.34Å; Q353-L379 HydrophobicContact CG-CB 4.48Å; Q353-L379 HydrophobicContact CG-CD2 4.39Å; Q353-L379 PolarHBondContact NE2-O 3.28Å
354	L	97.8	Very high	93.7	Very high	72 Å²	72	92.6 Å²	92.6	38%	0.377	45%	0.451	S	S	.	.	H	α-helix	trans	-65.7	-41.8	178.9	-69	174.2	0	0	0	112.1	Y349 S350 T351 L357 E358	Y349-L354 HydrophobicContact CD2-CD2 4.06Å; Y349-L354 HydrophobicContact CG-CD2 4.36Å; S350-L354 WeakPolarHBondContact O-CG 3.22Å; S350-L354 PolarHBondContact O-N 3.42Å; T351-L354 WeakPolarHBondContact O-CB 3.43Å; T351-L354 PolarHBondContact O-N 3.46Å; T351-L354 VanDerWaalsContact O-N 3.11Å; L354-L357 PolarHBondContact O-N 2.89Å; L354-E358 VanDerWaalsContact O-CB 3.31Å; L354-E358 WeakPolarHBondContact O-CB 3.31Å; L354-E358 PolarHBondContact O-N 2.78Å
355	E	97.9	Very high	95.1	Very high	128 Å²	128	85.2 Å²	85.2	60%	0.598	42%	0.419	S	S	*	.	H	α-helix	trans	-63	-46.3	179.1	-175.2	179.6	-179	0	0	111.7	T351 E358 T359	T351-E355 PolarHBondContact O-N 2.82Å; E355-E358 PolarHBondContact O-N 3.31Å; E355-T359 WeakPolarHBondContact O-CB 3.5Å; E355-T359 PolarHBondContact O-N 2.93Å; E355-T359 PolarHBondContact O-OG1 3.44Å
356	R	98	Very high	96	Very high	89 Å²	89	84.1 Å²	84.1	34%	0.336	41%	0.409	S	S	.	.	H	α-helix	trans	-64.2	-43.5	176.7	-179.7	55.8	173.1	-107.4	5.3	112.1	D352 E358 T359 E360 L375 E378 L379	D352-R356 PolarHBondContact O-N 3.48Å; D352-R356 VanDerWaalsContact O-N 3.11Å; R356-E358 VanDerWaalsContact C-N 3.32Å; R356-E358 PolarHBondContact O-N 3.06Å; R356-T359 PolarHBondContact O-N 3.28Å; R356-E360 PolarHBondContact O-N 3.24Å; R356-L375 HydrophobicContact CG-CD2 4.1Å; R356-E378 IonicContact CZ-OE1 3.93Å; R356-E378 IonicContact CZ-OE2 3.05Å; R356-E378 IonicContact NE-OE2 2.68Å; R356-E378 PolarHBondContact NE-OE2 2.79Å; R356-E378 IonicContact NH1-OE2 2.78Å; R356-E378 IonicContact NH2-OE1 2.89Å; R356-E378 PolarHBondContact NH2-OE1 2.95Å; R356-E378 IonicContact NH2-OE2 2.62Å; R356-E378 PolarHBondContact NH2-OE2 3.47Å; R356-L379 HydrophobicContact CB-CD1 4.27Å; R356-L379 HydrophobicContact CB-CD2 3.83Å; R356-L379 HydrophobicContact CG-CD1 4.09Å; R356-L379 HydrophobicContact CG-CD2 3.8Å; R356-L379 HydrophobicContact CG-CG 4.23Å
357	L	98.4	Very high	96.7	Very high	0 Å²	0	75.5 Å²	75.5	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-60.9	-41.4	175.6	-76.2	168.6	0	0	0	112	Q353 L354 E360 F361 L379 L381 I386 W389 F390	Q353-L357 WeakPolarHBondContact O-CB 3.31Å; Q353-L357 WeakPolarHBondContact O-CD1 3.28Å; Q353-L357 WeakPolarHBondContact O-CG 3.45Å; Q353-L357 PolarHBondContact O-N 3.34Å; L354-L357 PolarHBondContact O-N 2.89Å; L357-E360 PolarHBondContact O-N 3.28Å; L357-F361 WeakPolarHBondContact O-CB 3.32Å; L357-F361 PolarHBondContact O-N 3.3Å; L357-L379 HydrophobicContact CD1-CD1 4.34Å; L357-L379 HydrophobicContact CD2-CD1 3.9Å; L357-L379 HydrophobicContact CG-CD1 3.66Å; L357-L381 HydrophobicContact CD1-CD1 4.22Å; L357-I386 HydrophobicContact CD2-CD1 3.69Å; L357-I386 HydrophobicContact CD2-CG2 4.41Å; L357-W389 VanDerWaalsContact C-CH2 3.48Å; L357-W389 HydrophobicContact CB-CD2 3.97Å; L357-W389 HydrophobicContact CB-CE3 3.97Å; L357-W389 HydrophobicContact CB-CH2 3.67Å; L357-W389 HydrophobicContact CB-CZ2 3.61Å; L357-W389 HydrophobicContact CB-CZ3 3.83Å; L357-W389 HydrophobicContact CD1-CD2 3.86Å; L357-W389 HydrophobicContact CD1-CE3 4.48Å; L357-W389 HydrophobicContact CD1-CG 3.83Å; L357-W389 HydrophobicContact CD2-CD2 4.31Å; L357-W389 HydrophobicContact CD2-CE3 4.14Å; L357-W389 HydrophobicContact CG-CD2 4.27Å; L357-W389 HydrophobicContact CG-CE3 4.43Å; L357-W389 WeakPolarHBondContact O-CH2 3.34Å; L357-W389 WeakPolarHBondContact O-CZ3 3.16Å; L357-F390 HydrophobicContact CD2-CE2 4.07Å
358	E	98.3	Very high	97.1	Very high	51 Å²	51	75.6 Å²	75.6	24%	0.238	38%	0.377	C	S	.	.	H	α-helix	trans	-67.4	-42.9	177.2	-170.2	60.4	-150	0	0	111.5	L354 E355 R356 E360 F361 Q362 R393	L354-E358 VanDerWaalsContact O-CB 3.31Å; L354-E358 WeakPolarHBondContact O-CB 3.31Å; L354-E358 PolarHBondContact O-N 2.78Å; E355-E358 PolarHBondContact O-N 3.31Å; R356-E358 VanDerWaalsContact C-N 3.32Å; R356-E358 PolarHBondContact O-N 3.06Å; E358-E360 VanDerWaalsContact C-N 3.31Å; E358-E360 PolarHBondContact O-N 3.48Å; E358-F361 CarbonylContact O-C 3.58Å; E358-F361 WeakPolarHBondContact O-CB 3.19Å; E358-F361 PolarHBondContact O-N 3.31Å; E358-F361 VanDerWaalsContact O-N 3.14Å; E358-Q362 WeakPolarHBondContact O-CG 3.43Å; E358-Q362 PolarHBondContact O-N 3.49Å; E358-Q362 PolarHBondContact OE1-NE2 3.31Å; E358-R393 IonicContact OE1-CZ 2.69Å; E358-R393 IonicContact OE1-NE 3.42Å; E358-R393 PolarHBondContact OE1-NE 3.21Å; E358-R393 IonicContact OE1-NH2 3.22Å; E358-R393 PolarHBondContact OE1-NH2 3.17Å; E358-R393 WeakPolarHBondContact OE2-CD 3.11Å; E358-R393 IonicContact OE2-CZ 2.7Å; E358-R393 IonicContact OE2-NE 2.73Å; E358-R393 PolarHBondContact OE2-NE 3.26Å; E358-R393 IonicContact OE2-NH2 2.72Å; E358-R393 PolarHBondContact OE2-NH2 3.45Å
359	T	97.8	Very high	97.3	Very high	65 Å²	65	76.5 Å²	76.5	40%	0.399	37%	0.371	S	S	.	.	H	α-helix	trans	-57	-46.2	175.7	-60.7	0	0	0	0	111.2	E355 R356 Q362 K363	E355-T359 WeakPolarHBondContact O-CB 3.5Å; E355-T359 PolarHBondContact O-N 2.93Å; E355-T359 PolarHBondContact O-OG1 3.44Å; R356-T359 PolarHBondContact O-N 3.28Å; T359-Q362 PolarHBondContact O-N 3.4Å; T359-K363 PolarHBondContact O-N 3.23Å
360	E	98	Very high	97.3	Very high	12 Å²	12	78.9 Å²	78.9	6%	0.056	39%	0.388	C	S	.	.	H	α-helix	trans	-67	-38.2	175.8	-73.8	-61.3	136.6	0	0	112.8	R356 L357 E358 Q362 K363 D364 R371 L375 F390	R356-E360 PolarHBondContact O-N 3.24Å; L357-E360 PolarHBondContact O-N 3.28Å; E358-E360 VanDerWaalsContact C-N 3.31Å; E358-E360 PolarHBondContact O-N 3.48Å; E360-Q362 PolarHBondContact O-N 3.43Å; E360-K363 WeakPolarHBondContact O-CB 3.42Å; E360-K363 PolarHBondContact O-N 3.3Å; E360-K363 VanDerWaalsContact O-N 3.14Å; E360-K363 IonicContact OE1-NZ 2.76Å; E360-K363 PolarHBondContact OE1-NZ 2.79Å; E360-D364 PolarHBondContact O-N 3.16Å; E360-R371 VanDerWaalsContact CD-NE 3.29Å; E360-R371 IonicContact OE1-CZ 3.55Å; E360-R371 IonicContact OE1-NE 3.59Å; E360-R371 IonicContact OE1-NH2 2.72Å; E360-R371 PolarHBondContact OE1-NH2 3.33Å; E360-R371 IonicContact OE2-CZ 3.58Å; E360-R371 IonicContact OE2-NE 2.82Å; E360-R371 PolarHBondContact OE2-NE 3.45Å; E360-R371 IonicContact OE2-NH2 3.48Å; E360-R371 PolarHBondContact OE2-NH2 2.56Å; E360-L375 HydrophobicContact CB-CD1 4.02Å; E360-L375 HydrophobicContact CB-CD2 4.48Å; E360-L375 HydrophobicContact CG-CD1 3.93Å; E360-L375 HydrophobicContact CG-CD2 3.63Å; E360-L375 HydrophobicContact CG-CG 4.22Å; E360-F390 HydrophobicContact CB-CZ 4.18Å
361	F	98.2	Very high	97.3	Very high	0 Å²	0	78.4 Å²	78.4	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-62.6	-31.1	173.5	-173.1	-102.3	0	0	0	112.6	L357 E358 D364 K365 W389 F390 R393 R394 W397	L357-F361 WeakPolarHBondContact O-CB 3.32Å; L357-F361 PolarHBondContact O-N 3.3Å; E358-F361 CarbonylContact O-C 3.58Å; E358-F361 WeakPolarHBondContact O-CB 3.19Å; E358-F361 PolarHBondContact O-N 3.31Å; E358-F361 VanDerWaalsContact O-N 3.14Å; F361-D364 CarbonylContact O-C 3.59Å; F361-K365 HydrophobicContact CD1-CD 4.06Å; F361-K365 HydrophobicContact CD2-CD 4.45Å; F361-K365 HydrophobicContact CE1-CD 3.57Å; F361-K365 HydrophobicContact CE2-CB 4.23Å; F361-K365 HydrophobicContact CE2-CD 4Å; F361-K365 HydrophobicContact CG-CD 4.47Å; F361-K365 HydrophobicContact CZ-CB 4.39Å; F361-K365 HydrophobicContact CZ-CD 3.53Å; F361-K365 VanDerWaalsContact O-CD 3.31Å; F361-K365 WeakPolarHBondContact O-CD 3.43Å; F361-K365 WeakPolarHBondContact O-CE 3.3Å; F361-K365 PolarHBondContact O-NZ 3.5Å; F361-W389 HydrophobicContact CB-CH2 4.06Å; F361-W389 HydrophobicContact CB-CZ3 3.93Å; F361-W389 HydrophobicContact CD2-CZ3 4.37Å; F361-W389 HydrophobicContact CG-CZ3 4.33Å; F361-F390 HydrophobicContact CB-CE1 4.26Å; F361-F390 AromaticContact CD2-CD1 3.82Å; F361-F390 HydrophobicContact CD2-CD1 3.82Å; F361-F390 AromaticContact CD2-CE1 3.89Å; F361-F390 HydrophobicContact CD2-CE1 3.89Å; F361-F390 HydrophobicContact CE2-CD1 4.49Å; F361-R393 HydrophobicContact CB-CG 4.45Å; F361-R393 HydrophobicContact CD1-CG 3.58Å; F361-R393 HydrophobicContact CD2-CB 4.2Å; F361-R393 HydrophobicContact CD2-CG 3.64Å; F361-R393 HydrophobicContact CE1-CG 3.6Å; F361-R393 HydrophobicContact CE2-CB 4.1Å; F361-R393 HydrophobicContact CE2-CG 3.66Å; F361-R393 HydrophobicContact CG-CG 3.61Å; F361-R393 HydrophobicContact CZ-CB 4.4Å; F361-R393 HydrophobicContact CZ-CG 3.65Å; F361-R394 HydrophobicContact CE2-CG 3.76Å; F361-R394 HydrophobicContact CZ-CG 4.16Å; F361-W397 HydrophobicContact CE1-CB 4.2Å; F361-W397 HydrophobicContact CE1-CG 4.35Å; F361-W397 HydrophobicContact CZ-CB 4.02Å; F361-W397 HydrophobicContact CZ-CG 4.26Å
362	Q	97.2	Very high	97.4	Very high	112 Å²	112	76.1 Å²	76.1	52%	0.523	36%	0.356	S	S	.	.	H	α-helix	trans	-70.5	-35.1	174.3	-65.2	-52.8	-23.2	0	0	112.6	E358 T359 E360	E358-Q362 WeakPolarHBondContact O-CG 3.43Å; E358-Q362 PolarHBondContact O-N 3.49Å; E358-Q362 PolarHBondContact OE1-NE2 3.31Å; T359-Q362 PolarHBondContact O-N 3.4Å; E360-Q362 PolarHBondContact O-N 3.43Å
363	K	97.1	Very high	97.5	Very high	145 Å²	145	73.7 Å²	73.7	63%	0.63	34%	0.342	S	S	*	.	H	α-helix	trans	-67.9	-48.8	173.9	-63.6	175.4	-172.3	171.5	0	112.3	T359 E360	T359-K363 PolarHBondContact O-N 3.23Å; E360-K363 WeakPolarHBondContact O-CB 3.42Å; E360-K363 PolarHBondContact O-N 3.3Å; E360-K363 VanDerWaalsContact O-N 3.14Å; E360-K363 IonicContact OE1-NZ 2.76Å; E360-K363 PolarHBondContact OE1-NZ 2.79Å
364	D	96.4	Very high	97.5	Very high	69 Å²	69	76.3 Å²	76.3	37%	0.369	36%	0.355	S	S	.	.			trans	-143.9	126	179.6	-166.3	-15	0	0	0	111.3	E360 F361 Y366	E360-D364 PolarHBondContact O-N 3.16Å; F361-D364 CarbonylContact O-C 3.59Å; D364-Y366 VanDerWaalsContact CG-O 3.31Å; D364-Y366 PolarHBondContact O-N 2.83Å; D364-Y366 PolarHBondContact OD1-N 3.26Å
365	K	97.1	Very high	97.5	Very high	42 Å²	42	72.9 Å²	72.9	18%	0.183	34%	0.337	C	S	.	.	S	Bend	trans	-72.5	-17.6	177.9	-50.7	-61.4	164.2	-156.4	0	111.9	F361 R394	F361-K365 HydrophobicContact CD1-CD 4.06Å; F361-K365 HydrophobicContact CD2-CD 4.45Å; F361-K365 HydrophobicContact CE1-CD 3.57Å; F361-K365 HydrophobicContact CE2-CB 4.23Å; F361-K365 HydrophobicContact CE2-CD 4Å; F361-K365 HydrophobicContact CG-CD 4.47Å; F361-K365 HydrophobicContact CZ-CB 4.39Å; F361-K365 HydrophobicContact CZ-CD 3.53Å; F361-K365 VanDerWaalsContact O-CD 3.31Å; F361-K365 WeakPolarHBondContact O-CD 3.43Å; F361-K365 WeakPolarHBondContact O-CE 3.3Å; F361-K365 PolarHBondContact O-NZ 3.5Å; K365-R394 WeakPolarHBondContact O-CD 3.43Å; K365-R394 PolarHBondContact O-NH1 3.33Å
366	Y	97.4	Very high	97.5	Very high	146 Å²	146	67.6 Å²	67.6	57%	0.573	31%	0.314	S	S	*	.	S	Bend	trans	-126.7	97.1	-176.4	-66.3	-90.4	0	0	0	111.3	D364 K368	D364-Y366 VanDerWaalsContact CG-O 3.31Å; D364-Y366 PolarHBondContact O-N 2.83Å; D364-Y366 PolarHBondContact OD1-N 3.26Å; Y366-K368 PolarHBondContact O-N 2.92Å
367	L	95.4	Very high	97.5	Very high	36 Å²	36	68.7 Å²	68.7	19%	0.188	33%	0.327	C	S	.	.			trans	-64.5	123.8	-178	-167.1	68.4	0	0	0	113.3	R371 R372 L375 I386 F390	L367-R371 HydrophobicContact CD1-CB 3.81Å; L367-R371 HydrophobicContact CD1-CG 3.6Å; L367-R372 HydrophobicContact CD2-CB 3.53Å; L367-R372 HydrophobicContact CD2-CG 3.73Å; L367-R372 HydrophobicContact CG-CB 3.96Å; L367-L375 HydrophobicContact CD1-CD1 3.74Å; L367-L375 HydrophobicContact CD2-CD1 4.17Å; L367-I386 HydrophobicContact CD2-CG2 3.34Å; L367-F390 HydrophobicContact CB-CD1 3.88Å; L367-F390 HydrophobicContact CB-CD2 4.4Å; L367-F390 HydrophobicContact CB-CE1 3.88Å; L367-F390 HydrophobicContact CB-CE2 4.41Å; L367-F390 HydrophobicContact CB-CG 4.15Å; L367-F390 HydrophobicContact CB-CZ 4.16Å; L367-F390 HydrophobicContact CD1-CE1 4.28Å; L367-F390 HydrophobicContact CD1-CE2 4.25Å; L367-F390 HydrophobicContact CD1-CZ 3.86Å; L367-F390 HydrophobicContact CD2-CD2 3.87Å; L367-F390 HydrophobicContact CD2-CE2 3.75Å; L367-F390 HydrophobicContact CD2-CG 4.39Å; L367-F390 HydrophobicContact CD2-CZ 4.16Å; L367-F390 HydrophobicContact CG-CE2 4.39Å; L367-F390 HydrophobicContact CG-CZ 4.31Å
368	K	96.5	Very high	97.4	Very high	155 Å²	155	72.9 Å²	72.9	67%	0.674	35%	0.346	S	S	*	.			trans	-71.4	161	170.6	-61.6	-177.8	-177.1	179.7	0	111.9	Y366 R371 R372	Y366-K368 PolarHBondContact O-N 2.92Å; K368-R371 PolarHBondContact O-N 3.39Å; K368-R372 WeakPolarHBondContact O-CB 3.31Å; K368-R372 PolarHBondContact O-N 2.78Å
369	L	96.3	Very high	97.4	Very high	93 Å²	93	71.4 Å²	71.4	49%	0.487	34%	0.34	S	S	.	.	H	α-helix	trans	-56.6	-54.3	-179.7	177.8	59.5	0	0	0	112.6	R371 R372 I373	L369-R371 PolarHBondContact O-N 2.97Å; L369-R372 VanDerWaalsContact O-CB 3.31Å; L369-R372 WeakPolarHBondContact O-CB 3.42Å; L369-R372 PolarHBondContact O-N 2.89Å; L369-R372 VanDerWaalsContact O-N 3.09Å; L369-I373 HydrophobicContact CD1-CD1 4.16Å; L369-I373 HydrophobicContact CD1-CG1 4.5Å; L369-I373 HydrophobicContact CG-CD1 4.23Å; L369-I373 PolarHBondContact O-N 3.39Å; L369-I373 VanDerWaalsContact O-N 3.13Å
370	N	97.4	Very high	97.3	Very high	117 Å²	117	75.3 Å²	75.3	63%	0.626	36%	0.358	S	S	*	.	H	α-helix	trans	-59.6	-45.9	-177	-62.6	-1.7	0	0	0	111.6	R372 I373 E374	N370-R372 VanDerWaalsContact C-N 3.26Å; N370-R372 PolarHBondContact O-N 3.48Å; N370-I373 PolarHBondContact O-N 3.01Å; N370-I373 VanDerWaalsContact O-N 3.14Å; N370-E374 WeakPolarHBondContact O-CG 3.39Å; N370-E374 PolarHBondContact O-N 2.94Å
371	R	97.5	Very high	97.3	Very high	51 Å²	51	75.3 Å²	75.3	19%	0.192	36%	0.359	C	S	.	.	H	α-helix	trans	-65.5	-30.3	178.9	-168.9	57.2	-178.3	151.1	4.4	112.7	E360 L367 K368 L369 E374 L375 E378	E360-R371 VanDerWaalsContact CD-NE 3.29Å; E360-R371 IonicContact OE1-CZ 3.55Å; E360-R371 IonicContact OE1-NE 3.59Å; E360-R371 IonicContact OE1-NH2 2.72Å; E360-R371 PolarHBondContact OE1-NH2 3.33Å; E360-R371 IonicContact OE2-CZ 3.58Å; E360-R371 IonicContact OE2-NE 2.82Å; E360-R371 PolarHBondContact OE2-NE 3.45Å; E360-R371 IonicContact OE2-NH2 3.48Å; E360-R371 PolarHBondContact OE2-NH2 2.56Å; L367-R371 HydrophobicContact CD1-CB 3.81Å; L367-R371 HydrophobicContact CD1-CG 3.6Å; K368-R371 PolarHBondContact O-N 3.39Å; L369-R371 PolarHBondContact O-N 2.97Å; R371-E374 WeakPolarHBondContact CD-OE2 3.11Å; R371-E374 IonicContact CZ-OE2 3.64Å; R371-E374 IonicContact NE-OE2 3.8Å; R371-E374 IonicContact NH1-OE2 2.78Å; R371-E374 PolarHBondContact NH1-OE2 3.3Å; R371-L375 HydrophobicContact CG-CD1 4.49Å; R371-L375 WeakPolarHBondContact O-CB 3.41Å; R371-L375 WeakPolarHBondContact O-CG 3.12Å; R371-L375 PolarHBondContact O-N 3.06Å; R371-E378 IonicContact NH1-OE1 3.24Å; R371-E378 PolarHBondContact NH1-OE1 2.83Å; R371-E378 IonicContact NH2-OE2 3.87Å
372	R	98.1	Very high	97.2	Very high	61 Å²	61	78.9 Å²	78.9	23%	0.23	38%	0.381	C	S	.	.	H	α-helix	trans	-65.3	-41.8	173.4	-172.2	178.1	67.9	-157.1	9.3	112.3	L367 K368 L369 N370 S376 E383 I386	L367-R372 HydrophobicContact CD2-CB 3.53Å; L367-R372 HydrophobicContact CD2-CG 3.73Å; L367-R372 HydrophobicContact CG-CB 3.96Å; K368-R372 WeakPolarHBondContact O-CB 3.31Å; K368-R372 PolarHBondContact O-N 2.78Å; L369-R372 VanDerWaalsContact O-CB 3.31Å; L369-R372 WeakPolarHBondContact O-CB 3.42Å; L369-R372 PolarHBondContact O-N 2.89Å; L369-R372 VanDerWaalsContact O-N 3.09Å; N370-R372 VanDerWaalsContact C-N 3.26Å; N370-R372 PolarHBondContact O-N 3.48Å; R372-S376 VanDerWaalsContact O-CB 3.26Å; R372-S376 WeakPolarHBondContact O-CB 3.35Å; R372-S376 PolarHBondContact O-N 3.03Å; R372-E383 HydrophobicContact CG-CB 4.19Å; R372-E383 HydrophobicContact CG-CG 4.23Å; R372-E383 IonicContact CZ-OE2 2.73Å; R372-E383 VanDerWaalsContact CZ-OE2 3.22Å; R372-E383 IonicContact NE-OE2 3.34Å; R372-E383 PolarHBondContact NE-OE2 3.3Å; R372-E383 IonicContact NH2-OE2 3.85Å; R372-E383 PolarHBondContact NH2-OE2 2.9Å; R372-I386 HydrophobicContact CG-CB 4.22Å; R372-I386 HydrophobicContact CG-CG2 4.01Å
373	I	98.1	Very high	97.3	Very high	65 Å²	65	76.9 Å²	76.9	33%	0.333	37%	0.371	S	S	.	.	H	α-helix	trans	-65.7	-45.1	176.7	-62.9	166.5	0	0	0	109.8	L369 N370 L375 S376 N377	L369-I373 HydrophobicContact CD1-CD1 4.16Å; L369-I373 HydrophobicContact CD1-CG1 4.5Å; L369-I373 HydrophobicContact CG-CD1 4.23Å; L369-I373 PolarHBondContact O-N 3.39Å; L369-I373 VanDerWaalsContact O-N 3.13Å; N370-I373 PolarHBondContact O-N 3.01Å; N370-I373 VanDerWaalsContact O-N 3.14Å; I373-L375 PolarHBondContact O-N 3.21Å; I373-S376 WeakPolarHBondContact O-CB 3.33Å; I373-S376 PolarHBondContact O-N 2.72Å; I373-N377 PolarHBondContact O-N 2.89Å; I373-N377 VanDerWaalsContact O-N 3.09Å; I373-N377 PolarHBondContact O-ND2 2.76Å
374	E	98.1	Very high	97.3	Very high	93 Å²	93	74.6 Å²	74.6	44%	0.435	37%	0.37	S	S	.	.	H	α-helix	trans	-57.4	-50.4	175.7	-70	168.4	-163.8	0	0	111.9	N370 R371 S376 N377 E378	N370-E374 WeakPolarHBondContact O-CG 3.39Å; N370-E374 PolarHBondContact O-N 2.94Å; R371-E374 WeakPolarHBondContact CD-OE2 3.11Å; R371-E374 IonicContact CZ-OE2 3.64Å; R371-E374 IonicContact NE-OE2 3.8Å; R371-E374 IonicContact NH1-OE2 2.78Å; R371-E374 PolarHBondContact NH1-OE2 3.3Å; E374-S376 VanDerWaalsContact C-N 3.29Å; E374-S376 PolarHBondContact O-N 3.36Å; E374-N377 PolarHBondContact O-N 3.22Å; E374-E378 WeakPolarHBondContact O-CB 3.49Å; E374-E378 VanDerWaalsContact O-CG 3.24Å; E374-E378 WeakPolarHBondContact O-CG 3.46Å; E374-E378 PolarHBondContact O-N 3.22Å
375	L	97.9	Very high	97.3	Very high	0 Å²	0	73.7 Å²	73.7	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-62.9	-35.7	177.5	-78.8	173.5	0	0	0	113.1	R356 E360 L367 R371 I373 N377 E378 L379 I386 F390	R356-L375 HydrophobicContact CG-CD2 4.1Å; E360-L375 HydrophobicContact CB-CD1 4.02Å; E360-L375 HydrophobicContact CB-CD2 4.48Å; E360-L375 HydrophobicContact CG-CD1 3.93Å; E360-L375 HydrophobicContact CG-CD2 3.63Å; E360-L375 HydrophobicContact CG-CG 4.22Å; L367-L375 HydrophobicContact CD1-CD1 3.74Å; L367-L375 HydrophobicContact CD2-CD1 4.17Å; R371-L375 HydrophobicContact CG-CD1 4.49Å; R371-L375 WeakPolarHBondContact O-CB 3.41Å; R371-L375 WeakPolarHBondContact O-CG 3.12Å; R371-L375 PolarHBondContact O-N 3.06Å; I373-L375 PolarHBondContact O-N 3.21Å; L375-N377 VanDerWaalsContact C-N 3.32Å; L375-E378 PolarHBondContact O-N 2.7Å; L375-L379 HydrophobicContact CD2-CD1 4.33Å; L375-L379 WeakPolarHBondContact O-CB 3.22Å; L375-L379 WeakPolarHBondContact O-CG 3.47Å; L375-L379 PolarHBondContact O-N 3Å; L375-I386 HydrophobicContact CB-CD1 4.29Å; L375-I386 HydrophobicContact CB-CG2 4.47Å; L375-I386 HydrophobicContact CD1-CG2 4.4Å; L375-F390 HydrophobicContact CD1-CE2 4.15Å; L375-F390 HydrophobicContact CD1-CZ 4.37Å
376	S	98	Very high	97.3	Very high	18 Å²	18	71.7 Å²	71.7	13%	0.126	36%	0.355	C	S	.	.	H	α-helix	trans	-59.3	-46.7	177.1	-175.7	0	0	0	0	110.5	R372 I373 E374 N380 L381 E383	R372-S376 VanDerWaalsContact O-CB 3.26Å; R372-S376 WeakPolarHBondContact O-CB 3.35Å; R372-S376 PolarHBondContact O-N 3.03Å; I373-S376 WeakPolarHBondContact O-CB 3.33Å; I373-S376 PolarHBondContact O-N 2.72Å; E374-S376 VanDerWaalsContact C-N 3.29Å; E374-S376 PolarHBondContact O-N 3.36Å; S376-N380 PolarHBondContact O-N 3.22Å; S376-L381 CarbonylContact C-O 3.45Å; S376-L381 WeakPolarHBondContact CA-O 3.37Å; S376-L381 VanDerWaalsContact CB-O 3.31Å; S376-L381 WeakPolarHBondContact CB-O 3.37Å; S376-L381 PolarHBondContact O-N 3.1Å; S376-L381 VanDerWaalsContact O-N 3.16Å; S376-L381 VanDerWaalsContact O-O 3.1Å; S376-L381 PolarHBondContact OG-O 2.79Å; S376-E383 PolarHBondContact OG-N 2.98Å
377	N	97.6	Very high	97.3	Very high	112 Å²	112	70.6 Å²	70.6	60%	0.599	35%	0.353	S	S	*	.	H	α-helix	trans	-70.6	-43.3	178.6	-64.9	-23.5	0	0	0	112.3	I373 E374 L375 L379	I373-N377 PolarHBondContact O-N 2.89Å; I373-N377 VanDerWaalsContact O-N 3.09Å; I373-N377 PolarHBondContact O-ND2 2.76Å; E374-N377 PolarHBondContact O-N 3.22Å; L375-N377 VanDerWaalsContact C-N 3.32Å; N377-L379 VanDerWaalsContact C-N 3.35Å; N377-L379 PolarHBondContact O-N 2.97Å
378	E	97.4	Very high	97.4	Very high	87 Å²	87	71.6 Å²	71.6	41%	0.407	36%	0.36	S	S	.	.	H	α-helix	trans	-64.9	-36.3	-179	-72	169.4	173.2	0	0	112.9	R356 R371 E374 L375	R356-E378 IonicContact CZ-OE1 3.93Å; R356-E378 IonicContact CZ-OE2 3.05Å; R356-E378 IonicContact NE-OE2 2.68Å; R356-E378 PolarHBondContact NE-OE2 2.79Å; R356-E378 IonicContact NH1-OE2 2.78Å; R356-E378 IonicContact NH2-OE1 2.89Å; R356-E378 PolarHBondContact NH2-OE1 2.95Å; R356-E378 IonicContact NH2-OE2 2.62Å; R356-E378 PolarHBondContact NH2-OE2 3.47Å; R371-E378 IonicContact NH1-OE1 3.24Å; R371-E378 PolarHBondContact NH1-OE1 2.83Å; R371-E378 IonicContact NH2-OE2 3.87Å; E374-E378 WeakPolarHBondContact O-CB 3.49Å; E374-E378 VanDerWaalsContact O-CG 3.24Å; E374-E378 WeakPolarHBondContact O-CG 3.46Å; E374-E378 PolarHBondContact O-N 3.22Å; L375-E378 PolarHBondContact O-N 2.7Å
379	L	97.2	Very high	97.5	Very high	20 Å²	20	65.4 Å²	65.4	11%	0.105	33%	0.333	C	S	.	.	H	α-helix	trans	-101.5	-1.4	-173.1	-63.2	-178.4	0	0	0	114.3	Q353 R356 L357 L375 N377 L381 I386	Q353-L379 HydrophobicContact CG-CB 4.48Å; Q353-L379 HydrophobicContact CG-CD2 4.39Å; Q353-L379 PolarHBondContact NE2-O 3.28Å; R356-L379 HydrophobicContact CB-CD1 4.27Å; R356-L379 HydrophobicContact CB-CD2 3.83Å; R356-L379 HydrophobicContact CG-CD1 4.09Å; R356-L379 HydrophobicContact CG-CD2 3.8Å; R356-L379 HydrophobicContact CG-CG 4.23Å; L357-L379 HydrophobicContact CD1-CD1 4.34Å; L357-L379 HydrophobicContact CD2-CD1 3.9Å; L357-L379 HydrophobicContact CG-CD1 3.66Å; L375-L379 HydrophobicContact CD2-CD1 4.33Å; L375-L379 WeakPolarHBondContact O-CB 3.22Å; L375-L379 WeakPolarHBondContact O-CG 3.47Å; L375-L379 PolarHBondContact O-N 3Å; N377-L379 VanDerWaalsContact C-N 3.35Å; N377-L379 PolarHBondContact O-N 2.97Å; L379-L381 HydrophobicContact CB-CD1 4.16Å; L379-L381 HydrophobicContact CB-CG 4.11Å; L379-L381 PolarHBondContact O-N 2.99Å; L379-I386 HydrophobicContact CD1-CD1 4.32Å
380	N	97.4	Very high	97.6	Very high	147 Å²	147	61.1 Å²	61.1	79%	0.786	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	42.1	-171.7	-62	-43	0	0	0	112.5	S376	S376-N380 PolarHBondContact O-N 3.22Å
381	L	96.7	Very high	97.6	Very high	13 Å²	13	60.6 Å²	60.6	7%	0.068	30%	0.304	C	S	.	.			trans	-118.5	148	176.3	-66	179.4	0	0	0	109.2	Y349 L357 S376 L379 Q385 I386	Y349-L381 HydrophobicContact CD1-CD1 3.78Å; Y349-L381 HydrophobicContact CD1-CD2 3.83Å; Y349-L381 HydrophobicContact CD1-CG 4.48Å; Y349-L381 HydrophobicContact CE1-CD1 3.77Å; Y349-L381 HydrophobicContact CE1-CD2 3.75Å; Y349-L381 HydrophobicContact CE1-CG 4.39Å; L357-L381 HydrophobicContact CD1-CD1 4.22Å; S376-L381 CarbonylContact C-O 3.45Å; S376-L381 WeakPolarHBondContact CA-O 3.37Å; S376-L381 VanDerWaalsContact CB-O 3.31Å; S376-L381 WeakPolarHBondContact CB-O 3.37Å; S376-L381 PolarHBondContact O-N 3.1Å; S376-L381 VanDerWaalsContact O-N 3.16Å; S376-L381 VanDerWaalsContact O-O 3.1Å; S376-L381 PolarHBondContact OG-O 2.79Å; L379-L381 HydrophobicContact CB-CD1 4.16Å; L379-L381 HydrophobicContact CB-CG 4.11Å; L379-L381 PolarHBondContact O-N 2.99Å; L381-Q385 HydrophobicContact CB-CB 4.38Å; L381-I386 HydrophobicContact CB-CD1 3.86Å; L381-I386 HydrophobicContact CB-CG1 4.25Å; L381-I386 HydrophobicContact CD1-CD1 3.9Å
382	T	97.3	Very high	97.6	Very high	75 Å²	75	62.5 Å²	62.5	46%	0.46	32%	0.318	S	S	.	.			trans	-68.5	148.8	174.8	61.6	0	0	0	0	111.5	T384 Q385 I386	T382-T384 PolarHBondContact O-N 3.47Å; T382-Q385 WeakPolarHBondContact O-CA 3.48Å; T382-Q385 WeakPolarHBondContact O-CB 3.43Å; T382-Q385 PolarHBondContact O-N 3.1Å; T382-Q385 WeakPolarHBondContact OG1-CB 3.25Å; T382-Q385 VanDerWaalsContact OG1-CG 3.27Å; T382-Q385 WeakPolarHBondContact OG1-CG 3.27Å; T382-Q385 PolarHBondContact OG1-N 2.68Å; T382-Q385 PolarHBondContact OG1-OE1 3.45Å; T382-I386 PolarHBondContact O-N 3.38Å
383	E	98	Very high	97.6	Very high	69 Å²	69	62.2 Å²	62.2	32%	0.322	32%	0.317	S	S	.	.	H	α-helix	trans	-52.2	-33.8	174.1	-71.6	-171.9	-110.9	0	0	112.8	R372 S376 I386 K387	R372-E383 HydrophobicContact CG-CB 4.19Å; R372-E383 HydrophobicContact CG-CG 4.23Å; R372-E383 IonicContact CZ-OE2 2.73Å; R372-E383 VanDerWaalsContact CZ-OE2 3.22Å; R372-E383 IonicContact NE-OE2 3.34Å; R372-E383 PolarHBondContact NE-OE2 3.3Å; R372-E383 IonicContact NH2-OE2 3.85Å; R372-E383 PolarHBondContact NH2-OE2 2.9Å; S376-E383 PolarHBondContact OG-N 2.98Å; E383-I386 PolarHBondContact O-N 2.89Å; E383-K387 VanDerWaalsContact O-CB 3.22Å; E383-K387 WeakPolarHBondContact O-CB 3.43Å; E383-K387 PolarHBondContact O-N 3.5Å
384	T	96.7	Very high	97.6	Very high	98 Å²	98	61.7 Å²	61.7	60%	0.601	31%	0.311	S	S	*	.	H	α-helix	trans	-66.4	-41.2	175.6	-58.7	0	0	0	0	112.1	T382 K387 T388	T382-T384 PolarHBondContact O-N 3.47Å; T384-K387 PolarHBondContact O-N 3.49Å; T384-T388 VanDerWaalsContact O-CB 3.27Å; T384-T388 WeakPolarHBondContact O-CB 3.39Å; T384-T388 PolarHBondContact O-N 2.74Å; T384-T388 PolarHBondContact O-OG1 2.85Å
385	Q	97.1	Very high	97.5	Very high	50 Å²	50	60.6 Å²	60.6	23%	0.234	31%	0.31	C	S	.	.	H	α-helix	trans	-63	-46.3	173.6	-78.5	165.2	-50.2	0	0	110.9	Y349 L381 T382 T388 W389	Y349-Q385 HydrophobicContact CE1-CB 4.42Å; L381-Q385 HydrophobicContact CB-CB 4.38Å; T382-Q385 WeakPolarHBondContact O-CA 3.48Å; T382-Q385 WeakPolarHBondContact O-CB 3.43Å; T382-Q385 PolarHBondContact O-N 3.1Å; T382-Q385 WeakPolarHBondContact OG1-CB 3.25Å; T382-Q385 VanDerWaalsContact OG1-CG 3.27Å; T382-Q385 WeakPolarHBondContact OG1-CG 3.27Å; T382-Q385 PolarHBondContact OG1-N 2.68Å; T382-Q385 PolarHBondContact OG1-OE1 3.45Å; Q385-T388 PolarHBondContact O-N 2.98Å; Q385-W389 WeakPolarHBondContact O-CB 3.27Å; Q385-W389 PolarHBondContact O-N 3.28Å
386	I	98	Very high	97.3	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-59.1	-50.4	175.9	-57.3	-66.5	0	0	0	110.4	L357 L367 R372 L375 L379 L381 T382 E383 T388 W389 F390	L357-I386 HydrophobicContact CD2-CD1 3.69Å; L357-I386 HydrophobicContact CD2-CG2 4.41Å; L367-I386 HydrophobicContact CD2-CG2 3.34Å; R372-I386 HydrophobicContact CG-CB 4.22Å; R372-I386 HydrophobicContact CG-CG2 4.01Å; L375-I386 HydrophobicContact CB-CD1 4.29Å; L375-I386 HydrophobicContact CB-CG2 4.47Å; L375-I386 HydrophobicContact CD1-CG2 4.4Å; L379-I386 HydrophobicContact CD1-CD1 4.32Å; L381-I386 HydrophobicContact CB-CD1 3.86Å; L381-I386 HydrophobicContact CB-CG1 4.25Å; L381-I386 HydrophobicContact CD1-CD1 3.9Å; T382-I386 PolarHBondContact O-N 3.38Å; E383-I386 PolarHBondContact O-N 2.89Å; I386-T388 VanDerWaalsContact C-N 3.32Å; I386-T388 PolarHBondContact O-N 3.48Å; I386-W389 PolarHBondContact O-N 3.34Å; I386-F390 HydrophobicContact CG2-CD2 3.97Å; I386-F390 HydrophobicContact CG2-CE2 4.08Å; I386-F390 WeakPolarHBondContact O-CD2 3.43Å; I386-F390 PolarHBondContact O-N 2.92Å
387	K	97.7	Very high	97.2	Very high	122 Å²	122	68.9 Å²	68.9	53%	0.53	34%	0.342	S	S	.	.	H	α-helix	trans	-56.1	-46.2	177.5	-179.7	-178	176.6	-177.6	0	111.7	E383 T384 F390 Q391	E383-K387 VanDerWaalsContact O-CB 3.22Å; E383-K387 WeakPolarHBondContact O-CB 3.43Å; E383-K387 PolarHBondContact O-N 3.5Å; T384-K387 PolarHBondContact O-N 3.49Å; K387-F390 PolarHBondContact O-N 3.27Å; K387-Q391 PolarHBondContact O-N 2.87Å
388	T	96.9	Very high	97	Very high	57 Å²	57	67.4 Å²	67.4	35%	0.35	33%	0.33	S	S	.	.	H	α-helix	trans	-66.3	-41	179.3	-58	0	0	0	0	111.2	T384 Q385 I386 Q391 N392	T384-T388 VanDerWaalsContact O-CB 3.27Å; T384-T388 WeakPolarHBondContact O-CB 3.39Å; T384-T388 PolarHBondContact O-N 2.74Å; T384-T388 PolarHBondContact O-OG1 2.85Å; Q385-T388 PolarHBondContact O-N 2.98Å; I386-T388 VanDerWaalsContact C-N 3.32Å; I386-T388 PolarHBondContact O-N 3.48Å; T388-Q391 PolarHBondContact O-N 3.42Å; T388-N392 WeakPolarHBondContact O-CB 3.29Å; T388-N392 VanDerWaalsContact O-CG 3.27Å; T388-N392 PolarHBondContact O-N 2.92Å; T388-N392 PolarHBondContact O-ND2 2.83Å
389	W	98.2	Very high	96.7	Very high	26 Å²	26	69.1 Å²	69.1	10%	0.098	34%	0.336	C	S	.	.	H	α-helix	trans	-61.2	-48.6	176.1	-173.6	102.3	0	0	0	110.9	Y349 L357 F361 Q385 I386 Q391 N392 R393	Y349-W389 AromaticContact CD2-CD1 3.82Å; Y349-W389 AromaticContact CE2-CD1 3.6Å; Y349-W389 HydrophobicContact CE2-CG 4.46Å; L357-W389 VanDerWaalsContact C-CH2 3.48Å; L357-W389 HydrophobicContact CB-CD2 3.97Å; L357-W389 HydrophobicContact CB-CE3 3.97Å; L357-W389 HydrophobicContact CB-CH2 3.67Å; L357-W389 HydrophobicContact CB-CZ2 3.61Å; L357-W389 HydrophobicContact CB-CZ3 3.83Å; L357-W389 HydrophobicContact CD1-CD2 3.86Å; L357-W389 HydrophobicContact CD1-CE3 4.48Å; L357-W389 HydrophobicContact CD1-CG 3.83Å; L357-W389 HydrophobicContact CD2-CD2 4.31Å; L357-W389 HydrophobicContact CD2-CE3 4.14Å; L357-W389 HydrophobicContact CG-CD2 4.27Å; L357-W389 HydrophobicContact CG-CE3 4.43Å; L357-W389 WeakPolarHBondContact O-CH2 3.34Å; L357-W389 WeakPolarHBondContact O-CZ3 3.16Å; F361-W389 HydrophobicContact CB-CH2 4.06Å; F361-W389 HydrophobicContact CB-CZ3 3.93Å; F361-W389 HydrophobicContact CD2-CZ3 4.37Å; F361-W389 HydrophobicContact CG-CZ3 4.33Å; Q385-W389 WeakPolarHBondContact O-CB 3.27Å; Q385-W389 PolarHBondContact O-N 3.28Å; I386-W389 PolarHBondContact O-N 3.34Å; W389-Q391 VanDerWaalsContact C-N 3.32Å; W389-Q391 PolarHBondContact O-N 3.49Å; W389-N392 PolarHBondContact O-N 3.07Å; W389-R393 HydrophobicContact CD2-CB 4.46Å; W389-R393 HydrophobicContact CE3-CB 4.03Å; W389-R393 HydrophobicContact CH2-CB 4.01Å; W389-R393 HydrophobicContact CH2-CG 3.68Å; W389-R393 HydrophobicContact CZ2-CB 4.47Å; W389-R393 HydrophobicContact CZ2-CG 4.33Å; W389-R393 HydrophobicContact CZ3-CB 3.79Å; W389-R393 HydrophobicContact CZ3-CG 3.83Å; W389-R393 VanDerWaalsContact O-CB 3.29Å; W389-R393 WeakPolarHBondContact O-CB 3.37Å; W389-R393 PolarHBondContact O-N 3.06Å
390	F	98.4	Very high	96.2	Very high	2 Å²	2	73 Å²	73	1%	0.009	35%	0.352	C	S	.	.	H	α-helix	trans	-61.1	-38.9	177.4	-92.5	-100	0	0	0	112.4	L357 E360 F361 L367 L375 I386 K387 R393 R394	L357-F390 HydrophobicContact CD2-CE2 4.07Å; E360-F390 HydrophobicContact CB-CZ 4.18Å; F361-F390 HydrophobicContact CB-CE1 4.26Å; F361-F390 AromaticContact CD2-CD1 3.82Å; F361-F390 HydrophobicContact CD2-CD1 3.82Å; F361-F390 AromaticContact CD2-CE1 3.89Å; F361-F390 HydrophobicContact CD2-CE1 3.89Å; F361-F390 HydrophobicContact CE2-CD1 4.49Å; L367-F390 HydrophobicContact CB-CD1 3.88Å; L367-F390 HydrophobicContact CB-CD2 4.4Å; L367-F390 HydrophobicContact CB-CE1 3.88Å; L367-F390 HydrophobicContact CB-CE2 4.41Å; L367-F390 HydrophobicContact CB-CG 4.15Å; L367-F390 HydrophobicContact CB-CZ 4.16Å; L367-F390 HydrophobicContact CD1-CE1 4.28Å; L367-F390 HydrophobicContact CD1-CE2 4.25Å; L367-F390 HydrophobicContact CD1-CZ 3.86Å; L367-F390 HydrophobicContact CD2-CD2 3.87Å; L367-F390 HydrophobicContact CD2-CE2 3.75Å; L367-F390 HydrophobicContact CD2-CG 4.39Å; L367-F390 HydrophobicContact CD2-CZ 4.16Å; L367-F390 HydrophobicContact CG-CE2 4.39Å; L367-F390 HydrophobicContact CG-CZ 4.31Å; L375-F390 HydrophobicContact CD1-CE2 4.15Å; L375-F390 HydrophobicContact CD1-CZ 4.37Å; I386-F390 HydrophobicContact CG2-CD2 3.97Å; I386-F390 HydrophobicContact CG2-CE2 4.08Å; I386-F390 WeakPolarHBondContact O-CD2 3.43Å; I386-F390 PolarHBondContact O-N 2.92Å; K387-F390 PolarHBondContact O-N 3.27Å; F390-R393 PolarHBondContact O-N 2.91Å; F390-R394 WeakPolarHBondContact O-CG 3.48Å; F390-R394 PolarHBondContact O-N 3.4Å
391	Q	97.5	Very high	95.7	Very high	106 Å²	106	69.2 Å²	69.2	50%	0.495	33%	0.332	S	S	.	.	H	α-helix	trans	-63.9	-46.8	175.1	-175.9	175.3	16.5	0	0	112.1	K387 T388 W389 R393 R394 T395	K387-Q391 PolarHBondContact O-N 2.87Å; T388-Q391 PolarHBondContact O-N 3.42Å; W389-Q391 VanDerWaalsContact C-N 3.32Å; W389-Q391 PolarHBondContact O-N 3.49Å; Q391-R393 VanDerWaalsContact C-N 3.32Å; Q391-R393 PolarHBondContact O-N 3.05Å; Q391-R394 PolarHBondContact O-N 3.39Å; Q391-T395 PolarHBondContact O-N 2.69Å; Q391-T395 PolarHBondContact O-OG1 3.24Å
392	N	97.9	Very high	95.1	Very high	91 Å²	91	74.1 Å²	74.1	49%	0.487	35%	0.35	S	S	.	.	H	α-helix	trans	-63.4	-40.3	176.2	-71.9	-24.5	0	0	0	111.3	T388 W389 T395 K396	T388-N392 WeakPolarHBondContact O-CB 3.29Å; T388-N392 VanDerWaalsContact O-CG 3.27Å; T388-N392 PolarHBondContact O-N 2.92Å; T388-N392 PolarHBondContact O-ND2 2.83Å; W389-N392 PolarHBondContact O-N 3.07Å; N392-T395 WeakPolarHBondContact O-CB 3.33Å; N392-T395 PolarHBondContact O-N 2.77Å; N392-K396 PolarHBondContact O-N 2.67Å
393	R	98.2	Very high	94.5	Very high	55 Å²	55	79.6 Å²	79.6	21%	0.208	36%	0.363	C	S	.	.	H	α-helix	trans	-64.6	-44.9	178.5	-174.1	64.6	-173.9	123.6	-10.3	111.8	E358 F361 W389 F390 Q391 T395 K396 W397	E358-R393 IonicContact OE1-CZ 2.69Å; E358-R393 IonicContact OE1-NE 3.42Å; E358-R393 PolarHBondContact OE1-NE 3.21Å; E358-R393 IonicContact OE1-NH2 3.22Å; E358-R393 PolarHBondContact OE1-NH2 3.17Å; E358-R393 WeakPolarHBondContact OE2-CD 3.11Å; E358-R393 IonicContact OE2-CZ 2.7Å; E358-R393 IonicContact OE2-NE 2.73Å; E358-R393 PolarHBondContact OE2-NE 3.26Å; E358-R393 IonicContact OE2-NH2 2.72Å; E358-R393 PolarHBondContact OE2-NH2 3.45Å; F361-R393 HydrophobicContact CB-CG 4.45Å; F361-R393 HydrophobicContact CD1-CG 3.58Å; F361-R393 HydrophobicContact CD2-CB 4.2Å; F361-R393 HydrophobicContact CD2-CG 3.64Å; F361-R393 HydrophobicContact CE1-CG 3.6Å; F361-R393 HydrophobicContact CE2-CB 4.1Å; F361-R393 HydrophobicContact CE2-CG 3.66Å; F361-R393 HydrophobicContact CG-CG 3.61Å; F361-R393 HydrophobicContact CZ-CB 4.4Å; F361-R393 HydrophobicContact CZ-CG 3.65Å; W389-R393 HydrophobicContact CD2-CB 4.46Å; W389-R393 HydrophobicContact CE3-CB 4.03Å; W389-R393 HydrophobicContact CH2-CB 4.01Å; W389-R393 HydrophobicContact CH2-CG 3.68Å; W389-R393 HydrophobicContact CZ2-CB 4.47Å; W389-R393 HydrophobicContact CZ2-CG 4.33Å; W389-R393 HydrophobicContact CZ3-CB 3.79Å; W389-R393 HydrophobicContact CZ3-CG 3.83Å; W389-R393 VanDerWaalsContact O-CB 3.29Å; W389-R393 WeakPolarHBondContact O-CB 3.37Å; W389-R393 PolarHBondContact O-N 3.06Å; F390-R393 PolarHBondContact O-N 2.91Å; Q391-R393 VanDerWaalsContact C-N 3.32Å; Q391-R393 PolarHBondContact O-N 3.05Å; R393-T395 VanDerWaalsContact C-N 3.31Å; R393-T395 PolarHBondContact O-N 2.9Å; R393-K396 PolarHBondContact O-N 3.25Å; R393-W397 WeakPolarHBondContact O-CB 3.3Å; R393-W397 PolarHBondContact O-N 2.79Å
394	R	98	Very high	93.7	Very high	55 Å²	55	80.6 Å²	80.6	21%	0.208	37%	0.37	C	S	.	.	H	α-helix	trans	-59.1	-40.2	172.1	-77	-166.9	-64.9	-84	-0.7	112.5	F361 K365 F390 Q391 K396 W397 K398	F361-R394 HydrophobicContact CE2-CG 3.76Å; F361-R394 HydrophobicContact CZ-CG 4.16Å; K365-R394 WeakPolarHBondContact O-CD 3.43Å; K365-R394 PolarHBondContact O-NH1 3.33Å; F390-R394 WeakPolarHBondContact O-CG 3.48Å; F390-R394 PolarHBondContact O-N 3.4Å; Q391-R394 PolarHBondContact O-N 3.39Å; R394-K396 VanDerWaalsContact C-N 3.35Å; R394-K396 PolarHBondContact O-N 3.47Å; R394-W397 PolarHBondContact O-N 3.39Å; R394-K398 WeakPolarHBondContact O-CG 3.19Å; R394-K398 PolarHBondContact O-N 3.01Å
395	T	95.5	Very high	92.7	Very high	69 Å²	69	80.6 Å²	80.6	42%	0.423	37%	0.366	S	S	.	.	H	α-helix	trans	-60.8	-45.2	176.4	-56.5	0	0	0	0	111.1	Q391 N392 R393 K399	Q391-T395 PolarHBondContact O-N 2.69Å; Q391-T395 PolarHBondContact O-OG1 3.24Å; N392-T395 WeakPolarHBondContact O-CB 3.33Å; N392-T395 PolarHBondContact O-N 2.77Å; R393-T395 VanDerWaalsContact C-N 3.31Å; R393-T395 PolarHBondContact O-N 2.9Å; T395-K399 WeakPolarHBondContact O-CG 3.5Å; T395-K399 PolarHBondContact O-N 3.02Å; T395-K399 VanDerWaalsContact O-N 3.08Å
396	K	94.2	Very high	91.6	Very high	112 Å²	112	81 Å²	81	49%	0.487	38%	0.375	S	S	.	.	H	α-helix	trans	-64	-42.9	174.6	-71	-176.7	174.9	-172.3	0	112.1	N392 R393 R394 K399 K400 Y442	N392-K396 PolarHBondContact O-N 2.67Å; R393-K396 PolarHBondContact O-N 3.25Å; R394-K396 VanDerWaalsContact C-N 3.35Å; R394-K396 PolarHBondContact O-N 3.47Å; K396-K399 WeakPolarHBondContact O-CB 3.35Å; K396-K399 PolarHBondContact O-N 3.12Å; K396-K400 PolarHBondContact O-N 3.19Å; K396-Y442 PolarHBondContact NZ-OH 2.88Å; K396-Y442 VanDerWaalsContact NZ-OH 3.1Å
397	W	95.7	Very high	90.1	Very high	80 Å²	80	83.9 Å²	83.9	30%	0.303	40%	0.398	S	S	.	.	H	α-helix	trans	-61.3	-47.6	178	172	73.7	0	0	0	112	F361 R393 R394 K399 K400 L401	F361-W397 HydrophobicContact CE1-CB 4.2Å; F361-W397 HydrophobicContact CE1-CG 4.35Å; F361-W397 HydrophobicContact CZ-CB 4.02Å; F361-W397 HydrophobicContact CZ-CG 4.26Å; R393-W397 WeakPolarHBondContact O-CB 3.3Å; R393-W397 PolarHBondContact O-N 2.79Å; R394-W397 PolarHBondContact O-N 3.39Å; W397-K399 VanDerWaalsContact C-N 3.34Å; W397-K399 PolarHBondContact O-N 3.06Å; W397-K400 WeakPolarHBondContact O-CB 3.3Å; W397-K400 PolarHBondContact O-N 3.03Å; W397-K400 VanDerWaalsContact O-N 3.11Å; W397-L401 HydrophobicContact CD2-CD1 4.17Å; W397-L401 HydrophobicContact CE3-CD1 4.43Å; W397-L401 HydrophobicContact CH2-CD1 3.87Å; W397-L401 HydrophobicContact CZ2-CD1 3.57Å; W397-L401 HydrophobicContact CZ3-CD1 4.29Å; W397-L401 PolarHBondContact O-N 3.45Å
398	K	92.6	Very high	88.2	Confident	81 Å²	81	81.3 Å²	81.3	35%	0.352	40%	0.396	S	S	.	.	H	α-helix	trans	-57.8	-46	173.8	-75.4	-170.6	67.1	174.6	0	111.7	R394 K400 L401 Y402	R394-K398 WeakPolarHBondContact O-CG 3.19Å; R394-K398 PolarHBondContact O-N 3.01Å; K398-K400 VanDerWaalsContact C-N 3.31Å; K398-K400 PolarHBondContact O-N 2.95Å; K398-L401 WeakPolarHBondContact O-CB 3.05Å; K398-L401 PolarHBondContact O-N 3.23Å; K398-L401 VanDerWaalsContact O-N 3.13Å; K398-Y402 HydrophobicContact CB-CD2 4.47Å; K398-Y402 HydrophobicContact CB-CE2 4.05Å; K398-Y402 WeakPolarHBondContact CE-OH 3.27Å; K398-Y402 WeakPolarHBondContact O-CD2 3.47Å; K398-Y402 PolarHBondContact O-N 3.4Å
399	K	90.9	Very high	85.9	Confident	124 Å²	124	83.9 Å²	83.9	54%	0.539	40%	0.404	S	S	.	.	H	α-helix	trans	-55.4	-45.9	174.7	-74.3	179.4	178.6	-170.8	0	111.4	T395 K396 W397 L401 Y402 W403	T395-K399 WeakPolarHBondContact O-CG 3.5Å; T395-K399 PolarHBondContact O-N 3.02Å; T395-K399 VanDerWaalsContact O-N 3.08Å; K396-K399 WeakPolarHBondContact O-CB 3.35Å; K396-K399 PolarHBondContact O-N 3.12Å; W397-K399 VanDerWaalsContact C-N 3.34Å; W397-K399 PolarHBondContact O-N 3.06Å; K399-L401 VanDerWaalsContact C-N 3.32Å; K399-L401 PolarHBondContact O-N 3.21Å; K399-Y402 PolarHBondContact O-N 3.37Å; K399-W403 PolarHBondContact O-N 3.22Å
400	K	86.5	Confident	83.7	Confident	100 Å²	100	91.1 Å²	91.1	44%	0.435	44%	0.436	S	S	.	.	H	α-helix	trans	-56	-45	175.9	-174.1	-179.3	177.5	-176.9	0	111.5	K396 W397 K398 W403 L404	K396-K400 PolarHBondContact O-N 3.19Å; W397-K400 WeakPolarHBondContact O-CB 3.3Å; W397-K400 PolarHBondContact O-N 3.03Å; W397-K400 VanDerWaalsContact O-N 3.11Å; K398-K400 VanDerWaalsContact C-N 3.31Å; K398-K400 PolarHBondContact O-N 2.95Å; K400-W403 PolarHBondContact O-N 2.99Å; K400-L404 HydrophobicContact CG-CD1 4.01Å; K400-L404 HydrophobicContact CG-CG 4.49Å; K400-L404 WeakPolarHBondContact O-CG 3.34Å; K400-L404 PolarHBondContact O-N 3.15Å
401	L	87.1	Confident	81.5	Confident	69 Å²	69	95.9 Å²	95.9	36%	0.361	47%	0.469	S	S	.	.	H	α-helix	trans	-63.1	-42.8	178	-64	-179.4	0	0	0	112.7	W397 K398 K399 W403 L404 N405	W397-L401 HydrophobicContact CD2-CD1 4.17Å; W397-L401 HydrophobicContact CE3-CD1 4.43Å; W397-L401 HydrophobicContact CH2-CD1 3.87Å; W397-L401 HydrophobicContact CZ2-CD1 3.57Å; W397-L401 HydrophobicContact CZ3-CD1 4.29Å; W397-L401 PolarHBondContact O-N 3.45Å; K398-L401 WeakPolarHBondContact O-CB 3.05Å; K398-L401 PolarHBondContact O-N 3.23Å; K398-L401 VanDerWaalsContact O-N 3.13Å; K399-L401 VanDerWaalsContact C-N 3.32Å; K399-L401 PolarHBondContact O-N 3.21Å; L401-W403 VanDerWaalsContact C-N 3.35Å; L401-W403 PolarHBondContact O-N 3.1Å; L401-L404 PolarHBondContact O-N 3.34Å; L401-N405 WeakPolarHBondContact O-CB 3.5Å; L401-N405 VanDerWaalsContact O-CG 3.25Å; L401-N405 PolarHBondContact O-N 3.18Å
402	Y	85.4	Confident	79.1	Confident	115 Å²	115	96.3 Å²	96.3	45%	0.451	48%	0.479	S	S	.	.	H	α-helix	trans	-63.8	-38.8	177	-67.9	-64.5	0	0	0	112.7	K398 K399 S406	K398-Y402 HydrophobicContact CB-CD2 4.47Å; K398-Y402 HydrophobicContact CB-CE2 4.05Å; K398-Y402 WeakPolarHBondContact CE-OH 3.27Å; K398-Y402 WeakPolarHBondContact O-CD2 3.47Å; K398-Y402 PolarHBondContact O-N 3.4Å; K399-Y402 PolarHBondContact O-N 3.37Å; Y402-S406 WeakPolarHBondContact O-CB 3.2Å; Y402-S406 PolarHBondContact O-N 2.87Å; Y402-S406 PolarHBondContact O-OG 3.28Å
403	W	84.1	Confident	76.4	Confident	190 Å²	190	98.2 Å²	98.2	72%	0.72	49%	0.49	S	S	*	.	H	α-helix	trans	-68.2	-41.5	176.8	-67.8	119.5	0	0	0	112.2	K399 K400 L401 S406 A407	K399-W403 PolarHBondContact O-N 3.22Å; K400-W403 PolarHBondContact O-N 2.99Å; L401-W403 VanDerWaalsContact C-N 3.35Å; L401-W403 PolarHBondContact O-N 3.1Å; W403-S406 PolarHBondContact O-N 2.94Å; W403-A407 WeakPolarHBondContact O-CB 3.3Å; W403-A407 PolarHBondContact O-N 3.29Å
404	L	81.4	Confident	73.7	Confident	90 Å²	90	101 Å²	101	47%	0.471	52%	0.517	S	S	.	.	H	α-helix	trans	-66.7	-42.3	177.7	-70.6	171.9	0	0	0	112.1	K400 L401 S406 A407 S408	K400-L404 HydrophobicContact CG-CD1 4.01Å; K400-L404 HydrophobicContact CG-CG 4.49Å; K400-L404 WeakPolarHBondContact O-CG 3.34Å; K400-L404 PolarHBondContact O-N 3.15Å; L401-L404 PolarHBondContact O-N 3.34Å; L404-S406 VanDerWaalsContact C-N 3.34Å; L404-S406 PolarHBondContact O-N 3.16Å; L404-A407 PolarHBondContact O-N 3.37Å; L404-S408 PolarHBondContact O-N 3.09Å
405	N	74.8	Confident	70.8	Confident	99 Å²	99	104.7 Å²	104.7	53%	0.529	55%	0.545	S	S	.	.	H	α-helix	trans	-64.3	-41.9	176.5	-70.4	-10.5	0	0	0	111.1	L401 S408	L401-N405 WeakPolarHBondContact O-CB 3.5Å; L401-N405 VanDerWaalsContact O-CG 3.25Å; L401-N405 PolarHBondContact O-N 3.18Å; N405-S408 PolarHBondContact O-N 3.12Å; N405-S408 PolarHBondContact O-OG 3.11Å
406	S	74.2	Confident	68.1	Low	59 Å²	59	110.5 Å²	110.5	41%	0.413	57%	0.565	S	S	.	*	H	α-helix	trans	-62.3	-42.9	174.2	-58.8	0	0	0	0	112.1	Y402 W403 L404 Q409 F410	Y402-S406 WeakPolarHBondContact O-CB 3.2Å; Y402-S406 PolarHBondContact O-N 2.87Å; Y402-S406 PolarHBondContact O-OG 3.28Å; W403-S406 PolarHBondContact O-N 2.94Å; L404-S406 VanDerWaalsContact C-N 3.34Å; L404-S406 PolarHBondContact O-N 3.16Å; S406-Q409 PolarHBondContact O-N 2.81Å; S406-F410 WeakPolarHBondContact O-CD2 3.38Å
407	A	67.9	Low	65.5	Low	60 Å²	60	114.8 Å²	114.8	50%	0.496	59%	0.586	S	S	.	*	H	α-helix	trans	-67.2	-37.6	-179.5	0	0	0	0	0	113	W403 L404 Q409 F410	W403-A407 WeakPolarHBondContact O-CB 3.3Å; W403-A407 PolarHBondContact O-N 3.29Å; L404-A407 PolarHBondContact O-N 3.37Å; A407-Q409 PolarHBondContact O-N 3.29Å; A407-F410 PolarHBondContact O-N 2.88Å
408	S	56.4	Low	62.5	Low	68 Å²	68	114.1 Å²	114.1	48%	0.476	61%	0.605	S	S	.	*	H	α-helix	trans	-62.9	-27.1	178.7	69.3	0	0	0	0	113.5	L404 N405	L404-S408 PolarHBondContact O-N 3.09Å; N405-S408 PolarHBondContact O-N 3.12Å; N405-S408 PolarHBondContact O-OG 3.11Å
409	Q	49.1	Very low	59.7	Low	111 Å²	111	120.6 Å²	120.6	52%	0.519	63%	0.633	S	S	.	*	H	α-helix	trans	-77.7	-23.3	179	-67.7	-171.6	3.6	0	0	113.6	S406 A407	S406-Q409 PolarHBondContact O-N 2.81Å; A407-Q409 PolarHBondContact O-N 3.29Å
410	F	51.4	Low	57.1	Low	178 Å²	178	120.4 Å²	120.4	78%	0.781	65%	0.647	S	S	*	*	H	α-helix	trans	-80.5	-20.3	177.2	-75.2	-78	0	0	0	113.3	S406 A407 V412	S406-F410 WeakPolarHBondContact O-CD2 3.38Å; A407-F410 PolarHBondContact O-N 2.88Å; F410-V412 PolarHBondContact O-N 3.27Å
411	S	52.1	Low	54.3	Low	101 Å²	101	120.6 Å²	120.6	71%	0.706	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-16.6	-178.9	-177.9	0	0	0	0	114.6
412	V	47.8	Very low	51.7	Low	116 Å²	116	129.2 Å²	129.2	70%	0.703	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	-7.4	-168.6	-171.6	0	0	0	0	113.5	F410	F410-V412 PolarHBondContact O-N 3.27Å
413	N	40.7	Very low	49.1	Very low	131 Å²	131	129.4 Å²	129.4	70%	0.701	71%	0.707	S	S	*	*	S	Bend	trans	-109.6	14.2	-171.4	-76.1	-28.2	0	0	0	116.2
414	S	41.2	Very low	46.9	Very low	113 Å²	113	126 Å²	126	79%	0.79	71%	0.707	S	S	*	*			trans	-107.6	25.2	-174	-144.2	0	0	0	0	115.6
415	V	38.5	Very low	44.6	Very low	132 Å²	132	126.4 Å²	126.4	80%	0.8	72%	0.723	S	S	*	*			trans	-122.8	90.6	173.5	-173	0	0	0	0	109.3
416	K	38.8	Very low	42.9	Very low	192 Å²	192	129 Å²	129	84%	0.835	74%	0.737	S	S	*	*			trans	158	82	152.2	-86.6	160.4	-171.6	-175.7	0	109.6
417	H	38.3	Very low	41.3	Very low	201 Å²	201	135 Å²	135	93%	0.931	76%	0.756	S	S	*	*	S	Bend	trans	-171.8	113.5	139.4	-97.8	-64.1	0	0	0	110.2
418	G	33.6	Very low	39.8	Very low	67 Å²	67	138.2 Å²	138.2	69%	0.691	77%	0.771	S	S	*	*			trans	50.7	99.7	141.8	0	0	0	0	0	120.7
419	K	34.6	Very low	38.9	Very low	216 Å²	216	138.9 Å²	138.9	94%	0.939	77%	0.772	S	S	*	*			trans	45.5	88.9	131.4	-58.6	178.1	-179.6	177.1	0	117.6
420	S	35.1	Very low	38.5	Very low	120 Å²	120	137.9 Å²	137.9	84%	0.839	77%	0.774	S	S	*	*			trans	-158.8	140.6	134	64.4	0	0	0	0	110.2
421	S	28.6	Very low	37.9	Very low	105 Å²	105	135.6 Å²	135.6	73%	0.734	77%	0.77	S	S	*	*			trans	-89.6	106.7	-161.8	162.5	0	0	0	0	112.1
422	W	32.9	Very low	37.3	Very low	250 Å²	250	136.7 Å²	136.7	95%	0.947	77%	0.768	S	S	*	*			trans	-144.7	98	153.9	-75	79.4	0	0	0	109	V424	W422-V424 PolarHBondContact O-N 3.08Å
423	S	29.2	Very low	36.8	Very low	118 Å²	118	136 Å²	136	83%	0.825	76%	0.757	S	S	*	*			trans	-82.3	107.6	175.7	44.3	0	0	0	0	110.5
424	V	38.5	Very low	36.7	Very low	120 Å²	120	134.6 Å²	134.6	73%	0.727	75%	0.746	S	S	*	*			trans	-123.2	115.5	158.6	178.4	0	0	0	0	107.5	W422 N426	W422-V424 PolarHBondContact O-N 3.08Å; V424-N426 PolarHBondContact O-N 3.33Å
425	A	33.7	Very low	36.5	Very low	97 Å²	97	134.2 Å²	134.2	80%	0.802	73%	0.732	S	S	*	*			trans	-72.9	112	-176	0	0	0	0	0	110.9
426	N	39.2	Very low	36.6	Very low	153 Å²	153	131 Å²	131	82%	0.818	72%	0.716	S	S	*	*			trans	-103.7	107.1	165.7	-78.4	-16.7	0	0	0	109.3	V424	V424-N426 PolarHBondContact O-N 3.33Å
427	K	40	Very low	36.9	Very low	187 Å²	187	126.7 Å²	126.7	81%	0.813	70%	0.701	S	S	*	*			trans	-61.7	145.2	166	-78.7	178.1	175.6	178	0	109.5	T429	K427-T429 PolarHBondContact O-N 2.78Å; K427-T429 VanDerWaalsContact O-N 3.11Å
428	P	35.7	Very low	37.2	Very low	127 Å²	127	122.8 Å²	122.8	83%	0.825	68%	0.684	S	S	*	*			trans	-68.5	109.9	176	28	-30.7	0	0	0	109.1
429	T	37.3	Very low	37.7	Very low	81 Å²	81	124.7 Å²	124.7	50%	0.497	68%	0.678	S	S	.	*			trans	-75.7	131.3	173.4	41.3	0	0	0	0	109.6	K427 E433	K427-T429 PolarHBondContact O-N 2.78Å; K427-T429 VanDerWaalsContact O-N 3.11Å; T429-E433 WeakPolarHBondContact CG2-OE2 3.3Å
430	T	40.8	Very low	38.1	Very low	91 Å²	91	119.3 Å²	119.3	56%	0.558	66%	0.66	S	S	*	*			trans	-72.5	153.2	-176.2	62.1	0	0	0	0	110.9	N432 E433	T430-N432 PolarHBondContact O-N 2.68Å; T430-E433 PolarHBondContact O-N 3.47Å
431	N	40.1	Very low	38.5	Very low	130 Å²	130	121.9 Å²	121.9	70%	0.695	65%	0.653	S	S	*	*	H	α-helix	trans	-52.4	-20.6	-173.8	-68.4	-22.4	0	0	0	115.1
432	N	39.3	Very low	39.2	Very low	124 Å²	124	122.8 Å²	122.8	66%	0.663	64%	0.641	S	S	*	*	H	α-helix	trans	-81.8	-26.4	-179.8	-67.3	-7.6	0	0	0	113.6	T430 S436	T430-N432 PolarHBondContact O-N 2.68Å; N432-S436 PolarHBondContact O-N 3.3Å
433	E	36.5	Very low	40	Very low	100 Å²	100	114.8 Å²	114.8	47%	0.467	62%	0.62	S	S	.	*	H	α-helix	trans	-77.8	-30.8	178.5	-74.6	175.9	148.2	0	0	111.8	T429 T430 E435 S436 I437	T429-E433 WeakPolarHBondContact CG2-OE2 3.3Å; T430-E433 PolarHBondContact O-N 3.47Å; E433-E435 VanDerWaalsContact C-N 3.31Å; E433-E435 PolarHBondContact O-N 3.5Å; E433-S436 PolarHBondContact O-N 3.47Å; E433-I437 WeakPolarHBondContact O-CG1 3.39Å; E433-I437 PolarHBondContact O-N 2.72Å; E433-I437 VanDerWaalsContact O-N 3.11Å
434	Q	38.2	Very low	40.5	Very low	102 Å²	102	112.6 Å²	112.6	48%	0.477	60%	0.604	S	S	.	*	H	α-helix	trans	-68	-31.8	175.1	-65.8	-173.9	-17.7	0	0	112.2	M438	Q434-M438 WeakPolarHBondContact O-CB 3.41Å; Q434-M438 PolarHBondContact O-N 3.15Å
435	E	38.4	Very low	40.4	Very low	106 Å²	106	113.5 Å²	113.5	50%	0.495	60%	0.599	S	S	.	*	H	α-helix	trans	-67.7	-39	173.3	-70.7	-167.4	145.6	0	0	112.1	E433 N439	E433-E435 VanDerWaalsContact C-N 3.31Å; E433-E435 PolarHBondContact O-N 3.5Å; E435-N439 VanDerWaalsContact O-CB 3.28Å; E435-N439 WeakPolarHBondContact O-CB 3.41Å; E435-N439 PolarHBondContact O-N 3.07Å; E435-N439 PolarHBondContact O-ND2 2.98Å
436	S	40.2	Very low	40.9	Very low	65 Å²	65	112.9 Å²	112.9	46%	0.455	58%	0.581	S	S	.	*	H	α-helix	trans	-65.6	-44.9	176.1	178.9	0	0	0	0	112.5	N432 E433 M438 N439 N440	N432-S436 PolarHBondContact O-N 3.3Å; E433-S436 PolarHBondContact O-N 3.47Å; S436-M438 PolarHBondContact O-N 3.09Å; S436-N439 PolarHBondContact O-N 3.29Å; S436-N440 WeakPolarHBondContact O-CB 3.33Å; S436-N440 PolarHBondContact O-N 3.28Å
437	I	44.3	Very low	40.8	Very low	101 Å²	101	109.5 Å²	109.5	52%	0.518	57%	0.569	S	S	.	*	H	α-helix	trans	-66.6	-39.7	-178.9	-63.6	164.3	0	0	0	111.1	E433 N440 Y441	E433-I437 WeakPolarHBondContact O-CG1 3.39Å; E433-I437 PolarHBondContact O-N 2.72Å; E433-I437 VanDerWaalsContact O-N 3.11Å; I437-N440 PolarHBondContact O-N 2.93Å; I437-Y441 HydrophobicContact CG2-CD2 4.39Å; I437-Y441 PolarHBondContact O-N 3.09Å
438	M	44.4	Very low	40.8	Very low	119 Å²	119	105.1 Å²	105.1	59%	0.586	56%	0.559	S	S	*	*	H	α-helix	trans	-72.1	-33.8	176.7	-79.3	-74.1	-80.5	0	0	112.7	Q434 S436 Y441 Y442	Q434-M438 WeakPolarHBondContact O-CB 3.41Å; Q434-M438 PolarHBondContact O-N 3.15Å; S436-M438 PolarHBondContact O-N 3.09Å; M438-Y441 PolarHBondContact O-N 3.46Å; M438-Y442 WeakPolarHBondContact O-CB 3.3Å; M438-Y442 PolarHBondContact O-N 3.28Å
439	N	44	Very low	41	Very low	106 Å²	106	106 Å²	106	57%	0.567	55%	0.552	S	S	*	*	H	α-helix	trans	-67.3	-37.3	172.5	-75.3	-16.6	0	0	0	111.6	E435 S436 Y442 T443	E435-N439 VanDerWaalsContact O-CB 3.28Å; E435-N439 WeakPolarHBondContact O-CB 3.41Å; E435-N439 PolarHBondContact O-N 3.07Å; E435-N439 PolarHBondContact O-ND2 2.98Å; S436-N439 PolarHBondContact O-N 3.29Å; N439-Y442 WeakPolarHBondContact O-CB 3.41Å; N439-Y442 PolarHBondContact O-N 3.24Å; N439-Y442 VanDerWaalsContact O-N 3.15Å; N439-T443 PolarHBondContact O-N 2.78Å; N439-T443 PolarHBondContact O-OG1 3.23Å
440	N	43.6	Very low	41.1	Very low	103 Å²	103	109.4 Å²	109.4	55%	0.551	56%	0.56	S	S	*	*	H	α-helix	trans	-67.6	-35	173.6	-83.7	-24.7	0	0	0	113.3	S436 I437 Y442 T443 S444	S436-N440 WeakPolarHBondContact O-CB 3.33Å; S436-N440 PolarHBondContact O-N 3.28Å; I437-N440 PolarHBondContact O-N 2.93Å; N440-Y442 VanDerWaalsContact C-N 3.3Å; N440-T443 WeakPolarHBondContact CA-OG1 3.37Å; N440-T443 PolarHBondContact O-OG1 3.21Å; N440-S444 WeakPolarHBondContact O-CB 3.26Å; N440-S444 PolarHBondContact O-N 2.9Å; N440-S444 VanDerWaalsContact O-N 3.13Å
441	Y	44	Very low	40.8	Very low	175 Å²	175	116.4 Å²	116.4	69%	0.686	59%	0.585	S	S	*	*	H	α-helix	trans	-67.5	-32	169.7	-99.3	-90.5	0	0	0	112.2	I437 M438 F445	I437-Y441 HydrophobicContact CG2-CD2 4.39Å; I437-Y441 PolarHBondContact O-N 3.09Å; M438-Y441 PolarHBondContact O-N 3.46Å; Y441-F445 WeakPolarHBondContact O-CB 3.48Å; Y441-F445 PolarHBondContact O-N 3.26Å
442	Y	42.5	Very low	40.8	Very low	123 Å²	123	115.7 Å²	115.7	48%	0.482	58%	0.58	S	S	.	*	H	α-helix	trans	-74.2	-40	179.7	-136.3	-97.1	0	0	0	112.6	K396 M438 N439 N440 I446	K396-Y442 PolarHBondContact NZ-OH 2.88Å; K396-Y442 VanDerWaalsContact NZ-OH 3.1Å; M438-Y442 WeakPolarHBondContact O-CB 3.3Å; M438-Y442 PolarHBondContact O-N 3.28Å; N439-Y442 WeakPolarHBondContact O-CB 3.41Å; N439-Y442 PolarHBondContact O-N 3.24Å; N439-Y442 VanDerWaalsContact O-N 3.15Å; N440-Y442 VanDerWaalsContact C-N 3.3Å; Y442-I446 HydrophobicContact CD1-CG1 4.46Å; Y442-I446 VanDerWaalsContact O-CG1 3.3Å; Y442-I446 WeakPolarHBondContact O-CG1 3.48Å; Y442-I446 PolarHBondContact O-N 3.16Å; Y442-I446 VanDerWaalsContact O-N 3.14Å
443	T	51.1	Low	40.9	Very low	83 Å²	83	115.3 Å²	115.3	51%	0.509	58%	0.576	S	S	.	*	H	α-helix	trans	-65.8	-42.1	172.8	50.2	0	0	0	0	110.8	N439 N440 F445 I446 S447	N439-T443 PolarHBondContact O-N 2.78Å; N439-T443 PolarHBondContact O-OG1 3.23Å; N440-T443 WeakPolarHBondContact CA-OG1 3.37Å; N440-T443 PolarHBondContact O-OG1 3.21Å; T443-F445 PolarHBondContact O-N 3.16Å; T443-I446 PolarHBondContact O-N 2.95Å; T443-S447 WeakPolarHBondContact O-CB 3.48Å; T443-S447 PolarHBondContact O-N 3.28Å; T443-S447 PolarHBondContact O-OG 3.27Å
444	S	38.7	Very low	41.1	Very low	71 Å²	71	116.1 Å²	116.1	50%	0.497	58%	0.582	S	S	.	*	H	α-helix	trans	-66.5	-34.4	177.3	-168.6	0	0	0	0	113.8	N440 T448	N440-S444 WeakPolarHBondContact O-CB 3.26Å; N440-S444 PolarHBondContact O-N 2.9Å; N440-S444 VanDerWaalsContact O-N 3.13Å; S444-T448 PolarHBondContact O-N 3.3Å; S444-T448 VanDerWaalsContact O-N 3.16Å; S444-T448 PolarHBondContact O-OG1 3.27Å
445	F	36.9	Very low	41.3	Very low	140 Å²	140	116.9 Å²	116.9	61%	0.614	59%	0.588	S	S	*	*	H	α-helix	trans	-76.4	-32	178.3	-171.6	-98.3	0	0	0	113	Y441 T443 T448 Q449	Y441-F445 WeakPolarHBondContact O-CB 3.48Å; Y441-F445 PolarHBondContact O-N 3.26Å; T443-F445 PolarHBondContact O-N 3.16Å; F445-T448 WeakPolarHBondContact CA-OG1 3.15Å; F445-T448 PolarHBondContact O-OG1 3.29Å; F445-Q449 PolarHBondContact O-N 3.32Å
446	I	43.4	Very low	41.5	Very low	84 Å²	84	117.6 Å²	117.6	43%	0.431	59%	0.594	S	S	.	*	H	α-helix	trans	-73	-42.2	172.4	-64.4	-69	0	0	0	109.9	Y442 T443 T448 Q449 F450	Y442-I446 HydrophobicContact CD1-CG1 4.46Å; Y442-I446 VanDerWaalsContact O-CG1 3.3Å; Y442-I446 WeakPolarHBondContact O-CG1 3.48Å; Y442-I446 PolarHBondContact O-N 3.16Å; Y442-I446 VanDerWaalsContact O-N 3.14Å; T443-I446 PolarHBondContact O-N 2.95Å; I446-T448 VanDerWaalsContact C-N 3.28Å; I446-T448 PolarHBondContact O-N 3.18Å; I446-Q449 PolarHBondContact O-N 3.31Å; I446-F450 HydrophobicContact CG2-CD2 4.01Å; I446-F450 HydrophobicContact CG2-CE2 4.21Å; I446-F450 VanDerWaalsContact O-CD2 3.31Å; I446-F450 WeakPolarHBondContact O-CD2 3.41Å; I446-F450 PolarHBondContact O-N 2.97Å
447	S	37.2	Very low	41.6	Very low	82 Å²	82	121.1 Å²	121.1	57%	0.573	60%	0.603	S	S	*	*	H	α-helix	trans	-63.9	-27	175.6	-71.6	0	0	0	0	114.3	T443	T443-S447 WeakPolarHBondContact O-CB 3.48Å; T443-S447 PolarHBondContact O-N 3.28Å; T443-S447 PolarHBondContact O-OG 3.27Å
448	T	39.8	Very low	41.4	Very low	95 Å²	95	122.6 Å²	122.6	58%	0.583	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-8.8	177.9	37	0	0	0	0	114.6	S444 F445 I446	S444-T448 PolarHBondContact O-N 3.3Å; S444-T448 VanDerWaalsContact O-N 3.16Å; S444-T448 PolarHBondContact O-OG1 3.27Å; F445-T448 WeakPolarHBondContact CA-OG1 3.15Å; F445-T448 PolarHBondContact O-OG1 3.29Å; I446-T448 VanDerWaalsContact C-N 3.28Å; I446-T448 PolarHBondContact O-N 3.18Å
449	Q	40	Very low	41.1	Very low	146 Å²	146	122.8 Å²	122.8	68%	0.682	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	-4.8	170.5	-89.3	-83.1	-51.1	0	0	113	F445 I446	F445-Q449 PolarHBondContact O-N 3.32Å; I446-Q449 PolarHBondContact O-N 3.31Å
450	F	39.4	Very low	40.9	Very low	152 Å²	152	124.3 Å²	124.3	67%	0.667	61%	0.614	S	S	*	*			trans	-119.9	16.1	-174.8	-84.6	-84.8	0	0	0	113.9	A348 I446	A348-F450 HydrophobicContact CB-CZ 4.39Å; I446-F450 HydrophobicContact CG2-CD2 4.01Å; I446-F450 HydrophobicContact CG2-CE2 4.21Å; I446-F450 VanDerWaalsContact O-CD2 3.31Å; I446-F450 WeakPolarHBondContact O-CD2 3.41Å; I446-F450 PolarHBondContact O-N 2.97Å
451	H	34.2	Very low	40.6	Very low	237 Å²	237	126.2 Å²	126.2	100%	1.097	62%	0.62	S	S	*	*			trans	-118.5	0	167	-133.1	-33.1	0	0	0	109.3

Retrieved 451 of 451 residues in 437.7 ms (Link to these results)

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