A0A087XIS3_POEFO Loading...

Adenylosuccinate lyase

Catalyzes two non-sequential steps in de novo AMP synthesis: converts (S)-2-(5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido)succinate (SAICAR) to fumarate plus 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide, and thereby also contributes to de novo IMP synthesis, and converts succinyladenosine monophosphate (SAMP) to AMP and fumarate.

AlphaFold DB , UniProt , Accession A0A087XIS3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 486 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	P	42.9	Very low	58	Low	184 Å²	184	118.5 Å²	118.5	100%	1.195	70%	0.696	S	S	*	*				0	105.3	0	7	15.9	0	0	0	109.7
2	C	46	Very low	60.3	Low	89 Å²	89	119.9 Å²	119.9	60%	0.601	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-73	133.3	173.7	-148.5	0	0	0	0	107.9	A4	C2-A4 PolarHBondContact O-N 2.9Å
3	P	52.4	Low	62.5	Low	98 Å²	98	117.2 Å²	117.2	64%	0.636	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-62.1	122.1	179.9	23.3	-30	0	0	0	109.7	M13	P3-M13 HydrophobicContact CG-CE 4.32Å
4	A	55.2	Low	64.6	Low	90 Å²	90	117.9 Å²	117.9	74%	0.744	66%	0.659	S	S	*	*	S	Bend	trans	-75.8	130.6	172.7	0	0	0	0	0	108.6	C2	C2-A4 PolarHBondContact O-N 2.9Å
5	N	53.2	Low	66.6	Low	153 Å²	153	122.6 Å²	122.6	82%	0.818	66%	0.664	S	S	*	*			trans	100	68.7	176.7	-57.3	-10	0	0	0	116.1
6	M	53.2	Low	68.3	Low	114 Å²	114	120.6 Å²	120.6	56%	0.562	64%	0.644	S	S	*	*			trans	-146.6	87.9	143	-72.2	-158.6	-78	0	0	108.1	G8 D9 M13	M6-G8 PolarHBondContact O-N 3.28Å; M6-D9 HydrophobicContact CB-CB 3.89Å; M6-D9 WeakPolarHBondContact CE-OD2 3.36Å; M6-D9 PolarHBondContact O-N 3.01Å; M6-D9 VanDerWaalsContact SD-OD2 3.34Å; M6-M13 HydrophobicContact CE-CE 4.3Å
7	E	55.1	Low	69.9	Low	200 Å²	200	115.5 Å²	115.5	94%	0.935	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	-6.1	-178	-74.9	179.1	158	0	0	114
8	G	57.9	Low	71.4	Confident	66 Å²	66	112.1 Å²	112.1	68%	0.68	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100	-13.2	171.6	0	0	0	0	0	115.7	M6	M6-G8 PolarHBondContact O-N 3.28Å
9	D	67.7	Low	72.7	Confident	59 Å²	59	106.6 Å²	106.6	32%	0.316	58%	0.575	S	S	.	*	S	Bend	trans	-106	2.7	-173.5	-77.5	-8.8	0	0	0	113.3	M6 E11 F12 M13	M6-D9 HydrophobicContact CB-CB 3.89Å; M6-D9 WeakPolarHBondContact CE-OD2 3.36Å; M6-D9 PolarHBondContact O-N 3.01Å; M6-D9 VanDerWaalsContact SD-OD2 3.34Å; D9-E11 PolarHBondContact O-N 3.06Å; D9-E11 VanDerWaalsContact O-N 3.1Å; D9-F12 WeakPolarHBondContact O-CA 3.39Å; D9-F12 PolarHBondContact O-N 3.2Å; D9-M13 HydrophobicContact CB-CE 4.4Å; D9-M13 WeakPolarHBondContact O-CG 3.31Å; D9-M13 PolarHBondContact O-N 3.28Å
10	E	75.8	Confident	73.8	Confident	116 Å²	116	105.5 Å²	105.5	54%	0.542	57%	0.572	S	S	.	*	T	Hydrogen-bonded Turn	trans	-59.5	-30.1	-172.7	-146.5	-162.6	144	0	0	112.8	M13 K14	E10-M13 PolarHBondContact O-N 3.27Å; E10-K14 IonicContact OE1-NZ 2.64Å; E10-K14 PolarHBondContact OE1-NZ 3.04Å
11	E	78.3	Confident	74.6	Confident	135 Å²	135	103.6 Å²	103.6	63%	0.631	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	-31.4	173.5	-68.2	-164.9	166.4	0	0	113.5	D9 M13 R16	D9-E11 PolarHBondContact O-N 3.06Å; D9-E11 VanDerWaalsContact O-N 3.1Å; E11-M13 VanDerWaalsContact C-N 3.3Å; E11-R16 VanDerWaalsContact O-CD 3.3Å; E11-R16 WeakPolarHBondContact O-CD 3.43Å; E11-R16 IonicContact OE2-NH1 3.7Å
12	F	85.7	Confident	76.8	Confident	135 Å²	135	100.2 Å²	100.2	59%	0.592	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-12.6	177	-64.1	-88	0	0	0	112.6	D9 K14	D9-F12 WeakPolarHBondContact O-CA 3.39Å; D9-F12 PolarHBondContact O-N 3.2Å; F12-K14 VanDerWaalsContact C-N 3.33Å
13	M	89.7	Confident	78.9	Confident	84 Å²	84	99.5 Å²	99.5	41%	0.414	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-4.9	174.8	-62.6	-65.4	178.5	0	0	113.2	P3 M6 D9 E10 E11	P3-M13 HydrophobicContact CG-CE 4.32Å; M6-M13 HydrophobicContact CE-CE 4.3Å; D9-M13 HydrophobicContact CB-CE 4.4Å; D9-M13 WeakPolarHBondContact O-CG 3.31Å; D9-M13 PolarHBondContact O-N 3.28Å; E10-M13 PolarHBondContact O-N 3.27Å; E11-M13 VanDerWaalsContact C-N 3.3Å
14	K	91.6	Very high	80.9	Confident	128 Å²	128	95.6 Å²	95.6	56%	0.557	49%	0.491	S	S	*	.	S	Bend	trans	-118.4	152.7	-180	-65.1	172.9	-169.6	162	0	110.2	E10 F12 R16	E10-K14 IonicContact OE1-NZ 2.64Å; E10-K14 PolarHBondContact OE1-NZ 3.04Å; F12-K14 VanDerWaalsContact C-N 3.33Å; K14-R16 PolarHBondContact O-N 2.77Å
15	Y	94.4	Very high	82.8	Confident	188 Å²	188	92.3 Å²	92.3	74%	0.737	46%	0.463	S	S	*	.			trans	-60.1	131.6	169.5	169.4	-98.6	0	0	0	109.3
16	R	93.9	Very high	84.8	Confident	91 Å²	91	93.1 Å²	93.1	34%	0.343	46%	0.459	S	S	.	.			trans	-122.8	134.2	172.5	-63	-175.6	-62	178.2	4.1	108.2	E11 K14 P18	E11-R16 VanDerWaalsContact O-CD 3.3Å; E11-R16 WeakPolarHBondContact O-CD 3.43Å; E11-R16 IonicContact OE2-NH1 3.7Å; K14-R16 PolarHBondContact O-N 2.77Å; R16-P18 WeakPolarHBondContact O-CD 3.28Å; R16-P18 VanDerWaalsContact O-N 3.17Å
17	S	95.9	Very high	86.9	Confident	33 Å²	33	93.1 Å²	93.1	23%	0.231	46%	0.458	C	S	.	.			trans	-59	122.7	175.3	179.2	0	0	0	0	109.4	L19 V20 S21	S17-L19 PolarHBondContact O-N 3.35Å; S17-L19 PolarHBondContact OG-N 2.86Å; S17-V20 PolarHBondContact O-N 3.33Å; S17-S21 PolarHBondContact O-N 3Å; S17-S21 VanDerWaalsContact O-N 3.1Å; S17-S21 PolarHBondContact O-OG 2.79Å
18	P	96.1	Very high	88.9	Confident	54 Å²	54	83.6 Å²	83.6	35%	0.351	41%	0.413	S	S	.	.	H	α-helix	trans	-65.5	-19.3	177.7	27.8	-34.8	0	0	0	111.8	R16 V20 R22 Y23	R16-P18 WeakPolarHBondContact O-CD 3.28Å; R16-P18 VanDerWaalsContact O-N 3.17Å; P18-V20 VanDerWaalsContact C-N 3.26Å; P18-V20 PolarHBondContact O-N 3.45Å; P18-R22 WeakPolarHBondContact O-CB 3.31Å; P18-R22 PolarHBondContact O-N 2.58Å; P18-Y23 HydrophobicContact CB-CD2 4.37Å; P18-Y23 HydrophobicContact CB-CE2 4.1Å; P18-Y23 WeakPolarHBondContact O-CD2 3.36Å; P18-Y23 PolarHBondContact O-N 3.03Å
19	L	96.6	Very high	90.8	Very high	9 Å²	9	81.6 Å²	81.6	5%	0.047	39%	0.39	C	S	.	.	I	π-helix	trans	-58.6	-41.8	174.3	-59	178	0	0	0	110.7	S17 A24 L309 E345 L348 I352	S17-L19 PolarHBondContact O-N 3.35Å; S17-L19 PolarHBondContact OG-N 2.86Å; L19-A24 WeakPolarHBondContact O-CB 3.29Å; L19-A24 PolarHBondContact O-N 3.29Å; L19-L309 HydrophobicContact CD2-CD2 4.06Å; L19-E345 HydrophobicContact CD1-CB 3.87Å; L19-E345 HydrophobicContact CD1-CG 3.73Å; L19-L348 HydrophobicContact CB-CB 4.2Å; L19-L348 HydrophobicContact CB-CD1 4.34Å; L19-L348 HydrophobicContact CD1-CB 4.39Å; L19-I352 HydrophobicContact CB-CD1 4.25Å; L19-I352 HydrophobicContact CD2-CD1 3.65Å
20	V	93.8	Very high	92.3	Very high	83 Å²	83	84.1 Å²	84.1	50%	0.503	40%	0.399	S	S	.	.	I	π-helix	trans	-89.8	-44.7	-179.3	-179.9	0	0	0	0	111.8	S17 P18 R22 A29 L348	S17-V20 PolarHBondContact O-N 3.33Å; P18-V20 VanDerWaalsContact C-N 3.26Å; P18-V20 PolarHBondContact O-N 3.45Å; V20-R22 VanDerWaalsContact C-N 3.26Å; V20-R22 PolarHBondContact O-N 3.3Å; V20-A29 HydrophobicContact CG1-CB 4.29Å; V20-L348 HydrophobicContact CG2-CD1 3.9Å
21	S	91.4	Very high	93.4	Very high	66 Å²	66	78.9 Å²	78.9	46%	0.462	37%	0.374	S	S	.	.	I	π-helix	trans	-76.1	-11.3	-172	62.8	0	0	0	0	114.6	S17	S17-S21 PolarHBondContact O-N 3Å; S17-S21 VanDerWaalsContact O-N 3.1Å; S17-S21 PolarHBondContact O-OG 2.79Å
22	R	89.3	Confident	94.3	Very high	114 Å²	114	74 Å²	74	43%	0.43	35%	0.351	S	S	.	.	I	π-helix	trans	-137.4	-29.4	-171.7	-169.6	173.2	172.1	66	3.9	115.6	P18 V20 L486	P18-R22 WeakPolarHBondContact O-CB 3.31Å; P18-R22 PolarHBondContact O-N 2.58Å; V20-R22 VanDerWaalsContact C-N 3.26Å; V20-R22 PolarHBondContact O-N 3.3Å; R22-L486 PolarHBondContact NH1-OXT 3.24Å
23	Y	90.3	Very high	94.9	Very high	73 Å²	73	69 Å²	69	29%	0.286	33%	0.333	S	S	.	.	I	π-helix	trans	-126.2	-49.2	-160	-63	-50.1	0	0	0	115.6	P18 I352 L486	P18-Y23 HydrophobicContact CB-CD2 4.37Å; P18-Y23 HydrophobicContact CB-CE2 4.1Å; P18-Y23 WeakPolarHBondContact O-CD2 3.36Å; P18-Y23 PolarHBondContact O-N 3.03Å; Y23-I352 HydrophobicContact CD2-CD1 4.47Å; Y23-I352 HydrophobicContact CG-CD1 4.3Å; Y23-I352 HydrophobicContact CG-CG2 4.29Å; Y23-L486 HydrophobicContact CE1-CD2 4.14Å
24	A	92.8	Very high	95.3	Very high	17 Å²	17	69.7 Å²	69.7	14%	0.14	34%	0.338	C	S	.	.	S	Bend	trans	-72.8	150.7	-170.8	0	0	0	0	0	111.6	L19 L348 I352	L19-A24 WeakPolarHBondContact O-CB 3.29Å; L19-A24 PolarHBondContact O-N 3.29Å; A24-L348 HydrophobicContact CB-CB 4.25Å; A24-L348 HydrophobicContact CB-CD2 3.42Å; A24-L348 VanDerWaalsContact CB-CD2 3.42Å; A24-L348 HydrophobicContact CB-CG 4.43Å; A24-I352 HydrophobicContact CB-CD1 4.1Å; A24-I352 HydrophobicContact CB-CG1 3.94Å
25	S	95.2	Very high	95.6	Very high	20 Å²	20	67.2 Å²	67.2	14%	0.14	33%	0.327	C	S	.	.			trans	-63.8	153	174.7	60.6	0	0	0	0	112.2	E27 M28 A29 K136 D351	S25-E27 WeakPolarHBondContact CB-OE2 3.31Å; S25-E27 PolarHBondContact O-N 3.13Å; S25-E27 PolarHBondContact OG-OE2 3.21Å; S25-M28 PolarHBondContact O-N 2.78Å; S25-M28 PolarHBondContact OG-N 3.16Å; S25-A29 WeakPolarHBondContact O-CB 3.26Å; S25-A29 PolarHBondContact O-N 2.91Å; S25-K136 PolarHBondContact OG-NZ 2.97Å; S25-D351 VanDerWaalsContact CB-OD2 3.24Å; S25-D351 WeakPolarHBondContact CB-OD2 3.44Å; S25-D351 PolarHBondContact N-OD2 3.01Å; S25-D351 VanDerWaalsContact OG-CG 3.25Å; S25-D351 PolarHBondContact OG-OD1 3.4Å; S25-D351 PolarHBondContact OG-OD2 3.29Å
26	K	95.6	Very high	95.8	Very high	171 Å²	171	60.3 Å²	60.3	74%	0.743	30%	0.301	S	S	*	.	H	α-helix	trans	-58.1	-37.2	177.3	-66.6	177.4	-176.7	168.9	0	111.4	F30	K26-F30 VanDerWaalsContact O-CB 3.24Å; K26-F30 WeakPolarHBondContact O-CB 3.23Å; K26-F30 PolarHBondContact O-N 3.23Å
27	E	96.9	Very high	96	Very high	114 Å²	114	57 Å²	57	53%	0.533	29%	0.289	S	S	.	.	H	α-helix	trans	-65.9	-46	179.4	-52.6	82	-140.1	0	0	111.8	S25 F30 N31 I132	S25-E27 WeakPolarHBondContact CB-OE2 3.31Å; S25-E27 PolarHBondContact O-N 3.13Å; S25-E27 PolarHBondContact OG-OE2 3.21Å; E27-F30 PolarHBondContact O-N 2.99Å; E27-N31 WeakPolarHBondContact O-CB 3.48Å; E27-N31 PolarHBondContact O-N 3.5Å; E27-I132 HydrophobicContact CB-CD1 4.31Å
28	M	98.4	Very high	96.2	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-69.8	-40.8	179.5	-170.8	60.7	78.5	0	0	111.9	S25 F30 N31 F32 I132 L133 F347 L348 D351	S25-M28 PolarHBondContact O-N 2.78Å; S25-M28 PolarHBondContact OG-N 3.16Å; M28-F30 VanDerWaalsContact C-N 3.35Å; M28-F30 PolarHBondContact O-N 3.41Å; M28-N31 WeakPolarHBondContact O-CB 3.49Å; M28-N31 PolarHBondContact O-N 3.15Å; M28-F32 HydrophobicContact CG-CD2 4.49Å; M28-F32 PolarHBondContact O-N 2.85Å; M28-F32 HydrophobicContact SD-CD2 3.97Å; M28-F32 HydrophobicContact SD-CE2 3.65Å; M28-I132 HydrophobicContact CE-CB 3.82Å; M28-I132 HydrophobicContact CE-CD1 4.31Å; M28-I132 HydrophobicContact CE-CG2 3.69Å; M28-I132 HydrophobicContact SD-CD1 4.28Å; M28-L133 HydrophobicContact CE-CD1 4.43Å; M28-L133 HydrophobicContact CE-CD2 3.7Å; M28-L133 HydrophobicContact CE-CG 3.72Å; M28-F347 HydrophobicContact CE-CB 4.3Å; M28-F347 HydrophobicContact CE-CD1 4.32Å; M28-F347 HydrophobicContact SD-CB 3.87Å; M28-L348 HydrophobicContact CB-CD2 4.29Å; M28-L348 HydrophobicContact CG-CD2 3.8Å; M28-L348 HydrophobicContact CG-CG 4.37Å; M28-D351 HydrophobicContact CB-CB 4.06Å; M28-D351 HydrophobicContact CE-CB 4.13Å; M28-D351 HydrophobicContact CG-CB 3.9Å
29	A	97.9	Very high	96.3	Very high	24 Å²	24	54 Å²	54	20%	0.198	27%	0.267	C	S	.	.	H	α-helix	trans	-61.1	-43.4	174.4	0	0	0	0	0	111.6	V20 S25 F32 S33 L348	V20-A29 HydrophobicContact CG1-CB 4.29Å; S25-A29 WeakPolarHBondContact O-CB 3.26Å; S25-A29 PolarHBondContact O-N 2.91Å; A29-F32 PolarHBondContact O-N 3.08Å; A29-S33 PolarHBondContact O-N 3.5Å; A29-L348 HydrophobicContact CB-CD2 4.42Å
30	F	98.4	Very high	96.4	Very high	112 Å²	112	54.1 Å²	54.1	49%	0.491	27%	0.268	S	S	.	.	H	α-helix	trans	-64.4	-40.5	175	179.4	-102.7	0	0	0	112	K26 E27 M28 F32 S33 K35 K36	K26-F30 VanDerWaalsContact O-CB 3.24Å; K26-F30 WeakPolarHBondContact O-CB 3.23Å; K26-F30 PolarHBondContact O-N 3.23Å; E27-F30 PolarHBondContact O-N 2.99Å; M28-F30 VanDerWaalsContact C-N 3.35Å; M28-F30 PolarHBondContact O-N 3.41Å; F30-F32 PolarHBondContact O-N 3.12Å; F30-S33 VanDerWaalsContact O-CB 3.31Å; F30-S33 WeakPolarHBondContact O-CB 3.35Å; F30-S33 PolarHBondContact O-N 3.44Å; F30-S33 PolarHBondContact O-OG 2.87Å; F30-K35 HydrophobicContact CE2-CB 4.38Å; F30-K35 HydrophobicContact CE2-CG 4.15Å; F30-K36 HydrophobicContact CD1-CB 4.48Å; F30-K36 HydrophobicContact CE1-CB 4.19Å; F30-K36 HydrophobicContact CE1-CD 4.14Å; F30-K36 HydrophobicContact CZ-CB 4.25Å; F30-K36 WeakPolarHBondContact O-CB 3.19Å
31	N	98.8	Very high	96.6	Very high	5 Å²	5	50.3 Å²	50.3	3%	0.027	25%	0.245	C	C	.	.	H	α-helix	trans	-56.5	-33.3	178.9	-173.4	57.3	0	0	0	112.7	E27 M28 K36 M125 D128 I132	E27-N31 WeakPolarHBondContact O-CB 3.48Å; E27-N31 PolarHBondContact O-N 3.5Å; M28-N31 WeakPolarHBondContact O-CB 3.49Å; M28-N31 PolarHBondContact O-N 3.15Å; N31-K36 WeakPolarHBondContact O-CG 3.2Å; N31-M125 PolarHBondContact ND2-O 3.27Å; N31-M125 WeakPolarHBondContact O-CE 3.28Å; N31-D128 WeakPolarHBondContact OD1-CB 3.35Å; N31-I132 HydrophobicContact CB-CD1 4.02Å
32	F	98.5	Very high	97	Very high	34 Å²	34	47.2 Å²	47.2	15%	0.149	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	13.1	176.5	-69	-78.1	0	0	0	115	M28 A29 F30 M125 P344 F347	M28-F32 HydrophobicContact CG-CD2 4.49Å; M28-F32 PolarHBondContact O-N 2.85Å; M28-F32 HydrophobicContact SD-CD2 3.97Å; M28-F32 HydrophobicContact SD-CE2 3.65Å; A29-F32 PolarHBondContact O-N 3.08Å; F30-F32 PolarHBondContact O-N 3.12Å; F32-M125 HydrophobicContact CB-CE 4.27Å; F32-M125 HydrophobicContact CD1-CE 3.55Å; F32-M125 HydrophobicContact CE1-CB 4.19Å; F32-M125 HydrophobicContact CE1-CE 4.22Å; F32-M125 HydrophobicContact CG-CE 4.19Å; F32-P344 HydrophobicContact CB-CB 3.93Å; F32-P344 HydrophobicContact CB-CG 4.37Å; F32-P344 HydrophobicContact CD1-CB 3.83Å; F32-P344 HydrophobicContact CD1-CG 3.73Å; F32-P344 HydrophobicContact CE1-CG 4.36Å; F32-P344 HydrophobicContact CG-CB 3.85Å; F32-P344 HydrophobicContact CG-CG 4.23Å; F32-F347 HydrophobicContact CD2-CB 4.33Å; F32-F347 HydrophobicContact CE2-CB 3.39Å; F32-F347 HydrophobicContact CE2-CD1 4.37Å; F32-F347 HydrophobicContact CE2-CD2 4.28Å; F32-F347 AromaticContact CE2-CG 3.78Å; F32-F347 HydrophobicContact CE2-CG 3.78Å; F32-F347 HydrophobicContact CZ-CB 3.81Å; F32-F347 HydrophobicContact CZ-CD1 4.39Å; F32-F347 AromaticContact CZ-CD2 3.8Å; F32-F347 HydrophobicContact CZ-CD2 3.8Å; F32-F347 HydrophobicContact CZ-CE2 4.48Å; F32-F347 AromaticContact CZ-CG 3.74Å; F32-F347 HydrophobicContact CZ-CG 3.74Å
33	S	98.4	Very high	97.5	Very high	30 Å²	30	46.1 Å²	46.1	21%	0.21	22%	0.222	C	C	.	.	S	Bend	trans	-78.1	153.4	178	71.1	0	0	0	0	112.8	A29 F30 K35 K36 K37	A29-S33 PolarHBondContact O-N 3.5Å; F30-S33 VanDerWaalsContact O-CB 3.31Å; F30-S33 WeakPolarHBondContact O-CB 3.35Å; F30-S33 PolarHBondContact O-N 3.44Å; F30-S33 PolarHBondContact O-OG 2.87Å; S33-K35 PolarHBondContact O-N 2.75Å; S33-K36 PolarHBondContact O-N 2.71Å; S33-K36 PolarHBondContact OG-N 3.5Å; S33-K36 VanDerWaalsContact OG-N 3.09Å; S33-K37 PolarHBondContact O-N 3.37Å
34	D	98	Very high	97.9	Very high	97 Å²	97	42.8 Å²	42.8	52%	0.519	21%	0.209	S	C	.	.	H	α-helix	trans	-58.1	-36.3	170.4	-76.5	-35.2	0	0	0	111.7	K36 K37 F38 F76	D34-K36 PolarHBondContact O-N 2.88Å; D34-K37 PolarHBondContact O-N 3.08Å; D34-F38 HydrophobicContact CB-CD2 3.91Å; D34-F38 HydrophobicContact CB-CE2 3.75Å; D34-F38 WeakPolarHBondContact O-CD2 3.34Å; D34-F38 PolarHBondContact O-N 3.39Å; D34-F76 HydrophobicContact CB-CE1 4.09Å
35	K	98.1	Very high	98.2	Very high	77 Å²	77	42.1 Å²	42.1	34%	0.335	20%	0.203	S	C	.	.	H	α-helix	trans	-57.8	-49.9	175.2	-176.6	66	-179.3	-168	0	111.7	F30 S33 T39 E72 I74 F76	F30-K35 HydrophobicContact CE2-CB 4.38Å; F30-K35 HydrophobicContact CE2-CG 4.15Å; S33-K35 PolarHBondContact O-N 2.75Å; K35-T39 WeakPolarHBondContact O-CB 3.43Å; K35-T39 PolarHBondContact O-N 2.69Å; K35-T39 VanDerWaalsContact O-N 3.07Å; K35-T39 PolarHBondContact O-OG1 3.47Å; K35-E72 PolarHBondContact NZ-O 3.03Å; K35-I74 HydrophobicContact CD-CD1 4.43Å; K35-F76 HydrophobicContact CD-CE2 4.19Å; K35-F76 HydrophobicContact CD-CZ 4.3Å
36	K	98.1	Very high	98.3	Very high	42 Å²	42	41.7 Å²	41.7	18%	0.183	20%	0.198	C	C	.	.	H	α-helix	trans	-62.6	-47.1	176.1	171.8	69.7	173.6	-167.8	0	111.1	F30 N31 S33 D34 T40 D128	F30-K36 HydrophobicContact CD1-CB 4.48Å; F30-K36 HydrophobicContact CE1-CB 4.19Å; F30-K36 HydrophobicContact CE1-CD 4.14Å; F30-K36 HydrophobicContact CZ-CB 4.25Å; F30-K36 WeakPolarHBondContact O-CB 3.19Å; N31-K36 WeakPolarHBondContact O-CG 3.2Å; S33-K36 PolarHBondContact O-N 2.71Å; S33-K36 PolarHBondContact OG-N 3.5Å; S33-K36 VanDerWaalsContact OG-N 3.09Å; D34-K36 PolarHBondContact O-N 2.88Å; K36-T40 WeakPolarHBondContact O-CB 3.37Å; K36-T40 PolarHBondContact O-N 2.96Å; K36-T40 PolarHBondContact O-OG1 2.95Å; K36-D128 IonicContact NZ-OD2 2.67Å; K36-D128 PolarHBondContact NZ-OD2 3Å
37	K	98.6	Very high	98.5	Very high	21 Å²	21	35.1 Å²	35.1	9%	0.091	17%	0.172	C	C	.	.	H	α-helix	trans	-56.4	-57.1	-179.4	178.7	-174.9	173.3	-171	0	112	S33 D34 T39 T40 W41 T121 M125	S33-K37 PolarHBondContact O-N 3.37Å; D34-K37 PolarHBondContact O-N 3.08Å; K37-T39 PolarHBondContact O-N 3.18Å; K37-T40 CarbonylContact O-C 3.55Å; K37-T40 WeakPolarHBondContact O-CA 3.34Å; K37-T40 WeakPolarHBondContact O-CB 3.42Å; K37-T40 PolarHBondContact O-N 2.86Å; K37-T40 VanDerWaalsContact O-N 3.1Å; K37-W41 VanDerWaalsContact CE-CZ2 3.41Å; K37-W41 PolarHBondContact O-N 3.22Å; K37-T121 HydrophobicContact CB-CG2 4.45Å; K37-T121 HydrophobicContact CG-CG2 4.07Å; K37-M125 HydrophobicContact CB-SD 4.4Å
38	F	98.7	Very high	98.6	Very high	14 Å²	14	29.8 Å²	29.8	6%	0.061	15%	0.147	C	C	.	.	H	α-helix	trans	-76	-26.5	-173.8	-62.3	-59.6	0	0	0	113.3	D34 T40 W41 R42 I74 F76 H93	D34-F38 HydrophobicContact CB-CD2 3.91Å; D34-F38 HydrophobicContact CB-CE2 3.75Å; D34-F38 WeakPolarHBondContact O-CD2 3.34Å; D34-F38 PolarHBondContact O-N 3.39Å; F38-T40 VanDerWaalsContact C-N 3.3Å; F38-W41 AromaticContact CD1-CD2 3.87Å; F38-W41 HydrophobicContact CD1-CD2 3.87Å; F38-W41 AromaticContact CD1-CE3 3.6Å; F38-W41 HydrophobicContact CD1-CE3 3.6Å; F38-W41 HydrophobicContact CD1-CG 4.43Å; F38-W41 HydrophobicContact CD1-CH2 4.36Å; F38-W41 AromaticContact CD1-CZ3 3.82Å; F38-W41 HydrophobicContact CD1-CZ3 3.82Å; F38-W41 HydrophobicContact CE1-CD2 4.31Å; F38-W41 AromaticContact CE1-CE3 3.88Å; F38-W41 HydrophobicContact CE1-CE3 3.88Å; F38-W41 AromaticContact CE1-CH2 3.83Å; F38-W41 HydrophobicContact CE1-CH2 3.83Å; F38-W41 HydrophobicContact CE1-CZ2 4.3Å; F38-W41 AromaticContact CE1-CZ3 3.57Å; F38-W41 HydrophobicContact CE1-CZ3 3.57Å; F38-W41 PolarHBondContact O-N 3.43Å; F38-R42 PolarHBondContact O-N 3.12Å; F38-R42 VanDerWaalsContact O-N 3.14Å; F38-I74 HydrophobicContact CB-CD1 3.81Å; F38-F76 AromaticContact CD2-CE1 3.68Å; F38-F76 HydrophobicContact CD2-CE1 3.68Å; F38-F76 HydrophobicContact CD2-CZ 4.4Å; F38-F76 HydrophobicContact CE2-CE1 4.17Å; F38-H93 AromaticContact CD1-CD2 3.74Å; F38-H93 AromaticContact CD1-CE1 3.27Å; F38-H93 WeakPolarHBondContact CD1-CE1 3.26Å; F38-H93 AromaticContact CD1-CG 3.74Å; F38-H93 AromaticContact CD1-ND1 3.46Å; F38-H93 WeakPolarHBondContact CD1-ND1 3.34Å; F38-H93 AromaticContact CD1-NE2 3.45Å; F38-H93 WeakPolarHBondContact CD1-NE2 3.43Å; F38-H93 AromaticContact CD2-CE1 3.58Å; F38-H93 AromaticContact CD2-NE2 3.93Å; F38-H93 AromaticContact CE1-CD2 3.47Å; F38-H93 VanDerWaalsContact CE1-CD2 3.47Å; F38-H93 WeakPolarHBondContact CE1-CD2 3.41Å; F38-H93 AromaticContact CE1-CE1 3.57Å; F38-H93 AromaticContact CE1-CG 3.95Å; F38-H93 AromaticContact CE1-NE2 3.2Å; F38-H93 WeakPolarHBondContact CE1-NE2 3.39Å; F38-H93 AromaticContact CE2-CE1 3.85Å; F38-H93 AromaticContact CE2-NE2 3.71Å; F38-H93 AromaticContact CG-CE1 3.27Å; F38-H93 WeakPolarHBondContact CG-CE1 3.47Å; F38-H93 AromaticContact CG-ND1 3.7Å; F38-H93 AromaticContact CG-NE2 3.8Å; F38-H93 AromaticContact CZ-CE1 3.84Å; F38-H93 AromaticContact CZ-NE2 3.33Å; F38-H93 VanDerWaalsContact CZ-NE2 3.33Å; F38-H93 WeakPolarHBondContact CZ-NE2 3.01Å
39	T	98.7	Very high	98.6	Very high	10 Å²	10	29.9 Å²	29.9	6%	0.061	15%	0.147	C	C	.	.	H	α-helix	trans	-64.3	-39.8	166.8	-58	0	0	0	0	110.3	K35 K37 R42 K43 E72 I74	K35-T39 WeakPolarHBondContact O-CB 3.43Å; K35-T39 PolarHBondContact O-N 2.69Å; K35-T39 VanDerWaalsContact O-N 3.07Å; K35-T39 PolarHBondContact O-OG1 3.47Å; K37-T39 PolarHBondContact O-N 3.18Å; T39-R42 PolarHBondContact O-N 3.42Å; T39-K43 HydrophobicContact CG2-CD 4.15Å; T39-K43 WeakPolarHBondContact O-CG 3.32Å; T39-K43 PolarHBondContact O-N 3.43Å; T39-E72 HydrophobicContact CG2-CG 3.92Å; T39-I74 WeakPolarHBondContact OG1-CD1 3.48Å
40	T	98.8	Very high	98.6	Very high	12 Å²	12	31.8 Å²	31.8	7%	0.074	15%	0.151	C	C	.	.	H	α-helix	trans	-67.5	-36.4	176.5	-53.5	0	0	0	0	111.5	K36 K37 F38 R42 K43 L44 T121 I124	K36-T40 WeakPolarHBondContact O-CB 3.37Å; K36-T40 PolarHBondContact O-N 2.96Å; K36-T40 PolarHBondContact O-OG1 2.95Å; K37-T40 CarbonylContact O-C 3.55Å; K37-T40 WeakPolarHBondContact O-CA 3.34Å; K37-T40 WeakPolarHBondContact O-CB 3.42Å; K37-T40 PolarHBondContact O-N 2.86Å; K37-T40 VanDerWaalsContact O-N 3.1Å; F38-T40 VanDerWaalsContact C-N 3.3Å; T40-R42 PolarHBondContact O-N 2.95Å; T40-K43 PolarHBondContact O-N 2.6Å; T40-L44 HydrophobicContact CG2-CD1 4.3Å; T40-L44 HydrophobicContact CG2-CG 4.49Å; T40-L44 WeakPolarHBondContact O-CG 3.42Å; T40-L44 PolarHBondContact O-N 2.73Å; T40-T121 HydrophobicContact CG2-CG2 3.85Å; T40-T121 WeakPolarHBondContact CG2-OG1 3.45Å; T40-I124 HydrophobicContact CG2-CB 4.5Å; T40-I124 HydrophobicContact CG2-CD1 3.72Å; T40-I124 HydrophobicContact CG2-CG2 4.33Å
41	W	98.9	Very high	98.7	Very high	4 Å²	4	26.4 Å²	26.4	2%	0.015	13%	0.128	C	C	.	.	H	α-helix	trans	-58.1	-48.5	172.2	-73.9	19	0	0	0	111.7	K37 F38 K43 L44 W45 V90 H93 V117	K37-W41 VanDerWaalsContact CE-CZ2 3.41Å; K37-W41 PolarHBondContact O-N 3.22Å; F38-W41 AromaticContact CD1-CD2 3.87Å; F38-W41 HydrophobicContact CD1-CD2 3.87Å; F38-W41 AromaticContact CD1-CE3 3.6Å; F38-W41 HydrophobicContact CD1-CE3 3.6Å; F38-W41 HydrophobicContact CD1-CG 4.43Å; F38-W41 HydrophobicContact CD1-CH2 4.36Å; F38-W41 AromaticContact CD1-CZ3 3.82Å; F38-W41 HydrophobicContact CD1-CZ3 3.82Å; F38-W41 HydrophobicContact CE1-CD2 4.31Å; F38-W41 AromaticContact CE1-CE3 3.88Å; F38-W41 HydrophobicContact CE1-CE3 3.88Å; F38-W41 AromaticContact CE1-CH2 3.83Å; F38-W41 HydrophobicContact CE1-CH2 3.83Å; F38-W41 HydrophobicContact CE1-CZ2 4.3Å; F38-W41 AromaticContact CE1-CZ3 3.57Å; F38-W41 HydrophobicContact CE1-CZ3 3.57Å; F38-W41 PolarHBondContact O-N 3.43Å; W41-K43 PolarHBondContact O-N 3.46Å; W41-L44 PolarHBondContact O-N 2.96Å; W41-W45 HydrophobicContact CB-CE3 4.46Å; W41-W45 HydrophobicContact CB-CH2 4.28Å; W41-W45 HydrophobicContact CB-CZ3 4.06Å; W41-W45 HydrophobicContact CE3-CH2 4.1Å; W41-W45 PolarHBondContact O-N 3.47Å; W41-V90 HydrophobicContact CE3-CG2 4.5Å; W41-V90 HydrophobicContact CH2-CB 4.34Å; W41-V90 HydrophobicContact CH2-CG2 3.44Å; W41-V90 VanDerWaalsContact CH2-CG2 3.44Å; W41-V90 HydrophobicContact CZ2-CG2 4.09Å; W41-V90 HydrophobicContact CZ3-CB 4.15Å; W41-V90 HydrophobicContact CZ3-CG2 3.71Å; W41-H93 HydrophobicContact CE3-CB 3.96Å; W41-H93 HydrophobicContact CZ3-CB 4.07Å; W41-V117 HydrophobicContact CB-CB 4.04Å; W41-V117 HydrophobicContact CB-CG1 4.3Å; W41-V117 HydrophobicContact CD2-CB 3.94Å; W41-V117 HydrophobicContact CD2-CG2 3.69Å; W41-V117 HydrophobicContact CE3-CG2 4Å; W41-V117 HydrophobicContact CG-CB 3.68Å; W41-V117 HydrophobicContact CG-CG1 4.45Å; W41-V117 HydrophobicContact CG-CG2 4Å; W41-V117 HydrophobicContact CZ2-CG2 4.37Å; W41-V117 PolarHBondContact NE1-O 3.27Å
42	R	98.8	Very high	98.7	Very high	1 Å²	1	26.2 Å²	26.2	0%	0.004	13%	0.126	C	C	.	.	H	α-helix	trans	-60.8	-44.9	175.9	-68.8	-175.7	176.7	-165.3	4.2	112.1	F38 T39 T40 L44 W45 I46 H70 A71 D73 F97	F38-R42 PolarHBondContact O-N 3.12Å; F38-R42 VanDerWaalsContact O-N 3.14Å; T39-R42 PolarHBondContact O-N 3.42Å; T40-R42 PolarHBondContact O-N 2.95Å; R42-L44 VanDerWaalsContact C-N 3.33Å; R42-L44 PolarHBondContact O-N 2.58Å; R42-W45 HydrophobicContact CG-CE3 4.26Å; R42-W45 HydrophobicContact CG-CZ3 4.31Å; R42-W45 PolarHBondContact O-N 2.97Å; R42-I46 WeakPolarHBondContact O-CD1 3.25Å; R42-I46 VanDerWaalsContact O-CG1 3.3Å; R42-I46 WeakPolarHBondContact O-CG1 3.48Å; R42-I46 PolarHBondContact O-N 3.27Å; R42-H70 PolarHBondContact NH1-O 3.42Å; R42-A71 WeakPolarHBondContact CD-O 3.31Å; R42-D73 VanDerWaalsContact NH1-C 3.34Å; R42-D73 PolarHBondContact NH1-O 2.88Å; R42-D73 PolarHBondContact NH2-O 2.98Å; R42-F97 HydrophobicContact CB-CD1 4.47Å; R42-F97 HydrophobicContact CB-CE1 3.97Å; R42-F97 HydrophobicContact CB-CE2 4.37Å; R42-F97 HydrophobicContact CB-CZ 3.91Å; R42-F97 HydrophobicContact CG-CD1 3.88Å; R42-F97 HydrophobicContact CG-CD2 3.99Å; R42-F97 HydrophobicContact CG-CE1 3.86Å; R42-F97 HydrophobicContact CG-CE2 3.98Å; R42-F97 HydrophobicContact CG-CG 3.94Å; R42-F97 HydrophobicContact CG-CZ 3.91Å; R42-F97 VanDerWaalsContact CZ-CD2 3.44Å; R42-F97 VanDerWaalsContact NE-CD2 3.35Å
43	K	98.8	Very high	98.7	Very high	91 Å²	91	27.6 Å²	27.6	40%	0.396	13%	0.133	S	C	.	.	H	α-helix	trans	-58.1	-43.5	174.6	-72	175	-178.5	174.6	0	111.6	T39 T40 W41 I46 L47 E72	T39-K43 HydrophobicContact CG2-CD 4.15Å; T39-K43 WeakPolarHBondContact O-CG 3.32Å; T39-K43 PolarHBondContact O-N 3.43Å; T40-K43 PolarHBondContact O-N 2.6Å; W41-K43 PolarHBondContact O-N 3.46Å; K43-I46 WeakPolarHBondContact O-CB 3.38Å; K43-I46 PolarHBondContact O-N 3.1Å; K43-L47 WeakPolarHBondContact O-CG 3.31Å; K43-L47 PolarHBondContact O-N 3.05Å; K43-E72 IonicContact NZ-OE1 3.72Å; K43-E72 PolarHBondContact NZ-OE1 2.63Å
44	L	98.9	Very high	98.7	Very high	3 Å²	3	32 Å²	32	2%	0.016	15%	0.149	C	C	.	.	H	α-helix	trans	-64.6	-39.6	176.3	-73.4	168.3	0	0	0	113	T40 W41 R42 I46 L47 L48 Y116 V117 N120 T121 I124 F197	T40-L44 HydrophobicContact CG2-CD1 4.3Å; T40-L44 HydrophobicContact CG2-CG 4.49Å; T40-L44 WeakPolarHBondContact O-CG 3.42Å; T40-L44 PolarHBondContact O-N 2.73Å; W41-L44 PolarHBondContact O-N 2.96Å; R42-L44 VanDerWaalsContact C-N 3.33Å; R42-L44 PolarHBondContact O-N 2.58Å; L44-I46 VanDerWaalsContact C-N 3.32Å; L44-L47 PolarHBondContact O-N 3.27Å; L44-L48 PolarHBondContact O-N 3.49Å; L44-Y116 HydrophobicContact CB-CE1 3.98Å; L44-Y116 WeakPolarHBondContact O-CE1 3.48Å; L44-Y116 PolarHBondContact O-OH 3.29Å; L44-V117 HydrophobicContact CB-CG1 4.2Å; L44-N120 HydrophobicContact CD1-CB 3.79Å; L44-N120 HydrophobicContact CD2-CB 4.18Å; L44-T121 WeakPolarHBondContact CD1-OG1 3.29Å; L44-I124 HydrophobicContact CD2-CD1 4.24Å; L44-F197 HydrophobicContact CD2-CZ 3.79Å
45	W	98.9	Very high	98.7	Very high	3 Å²	3	28.3 Å²	28.3	1%	0.011	13%	0.13	C	C	.	.	H	α-helix	trans	-64	-37.7	172.7	-72.8	-49.4	0	0	0	112.3	W41 R42 L48 A49 M67 V90 H93 V94 F97 I108 H109 V117	W41-W45 HydrophobicContact CB-CE3 4.46Å; W41-W45 HydrophobicContact CB-CH2 4.28Å; W41-W45 HydrophobicContact CB-CZ3 4.06Å; W41-W45 HydrophobicContact CE3-CH2 4.1Å; W41-W45 PolarHBondContact O-N 3.47Å; R42-W45 HydrophobicContact CG-CE3 4.26Å; R42-W45 HydrophobicContact CG-CZ3 4.31Å; R42-W45 PolarHBondContact O-N 2.97Å; W45-L48 WeakPolarHBondContact O-CB 3.49Å; W45-L48 PolarHBondContact O-N 2.95Å; W45-A49 PolarHBondContact O-N 3.34Å; W45-M67 HydrophobicContact CB-CE 3.79Å; W45-V90 HydrophobicContact CZ2-CG1 4Å; W45-H93 HydrophobicContact CH2-CB 4.02Å; W45-H93 HydrophobicContact CZ3-CB 4.47Å; W45-V94 HydrophobicContact CH2-CG2 3.85Å; W45-V94 HydrophobicContact CZ2-CG2 3.41Å; W45-V94 VanDerWaalsContact CZ2-CG2 3.41Å; W45-F97 HydrophobicContact CB-CE1 4.49Å; W45-F97 AromaticContact CE3-CD1 3.69Å; W45-F97 HydrophobicContact CE3-CD1 3.69Å; W45-F97 HydrophobicContact CE3-CE1 4.18Å; W45-F97 HydrophobicContact CZ3-CD1 4.22Å; W45-I108 HydrophobicContact CD2-CG2 4.05Å; W45-I108 HydrophobicContact CE3-CG2 4.39Å; W45-I108 HydrophobicContact CG-CG2 4.14Å; W45-H109 AromaticContact CD1-ND1 3.85Å; W45-H109 AromaticContact NE1-CG 3.55Å; W45-H109 AromaticContact NE1-ND1 3.02Å; W45-H109 PolarHBondContact NE1-ND1 3.5Å; W45-V117 HydrophobicContact CD2-CG1 3.98Å; W45-V117 VanDerWaalsContact CE2-CG1 3.49Å; W45-V117 HydrophobicContact CG-CG1 4.21Å; W45-V117 HydrophobicContact CZ2-CB 4.47Å; W45-V117 HydrophobicContact CZ2-CG1 3.86Å; W45-V117 HydrophobicContact CZ2-CG2 3.97Å
46	I	98.9	Very high	98.7	Very high	10 Å²	10	27.4 Å²	27.4	5%	0.051	14%	0.143	C	C	.	.	H	α-helix	trans	-62.4	-46.4	173.5	-67	158.4	0	0	0	110.6	R42 K43 L44 L48 A49 K50 M67 E68 A71	R42-I46 WeakPolarHBondContact O-CD1 3.25Å; R42-I46 VanDerWaalsContact O-CG1 3.3Å; R42-I46 WeakPolarHBondContact O-CG1 3.48Å; R42-I46 PolarHBondContact O-N 3.27Å; K43-I46 WeakPolarHBondContact O-CB 3.38Å; K43-I46 PolarHBondContact O-N 3.1Å; L44-I46 VanDerWaalsContact C-N 3.32Å; I46-L48 VanDerWaalsContact C-N 3.28Å; I46-L48 PolarHBondContact O-N 3.22Å; I46-A49 PolarHBondContact O-N 3.38Å; I46-K50 HydrophobicContact CG2-CD 4.22Å; I46-K50 HydrophobicContact CG2-CG 4.5Å; I46-K50 WeakPolarHBondContact O-CG 3.18Å; I46-K50 PolarHBondContact O-N 2.96Å; I46-M67 HydrophobicContact CD1-CB 4.27Å; I46-M67 HydrophobicContact CG1-CB 3.63Å; I46-M67 HydrophobicContact CG1-CE 3.99Å; I46-E68 HydrophobicContact CD1-CG 4.13Å; I46-E68 HydrophobicContact CG1-CG 4.43Å; I46-E68 HydrophobicContact CG2-CG 3.73Å; I46-A71 HydrophobicContact CD1-CB 3.78Å
47	L	98.8	Very high	98.7	Very high	34 Å²	34	26.5 Å²	26.5	18%	0.178	14%	0.14	C	C	.	.	H	α-helix	trans	-60.6	-39	177.1	-65.2	-171.3	0	0	0	111.9	K43 L44 A51 M231 A232	K43-L47 WeakPolarHBondContact O-CG 3.31Å; K43-L47 PolarHBondContact O-N 3.05Å; L44-L47 PolarHBondContact O-N 3.27Å; L47-A51 PolarHBondContact O-N 3.41Å; L47-A51 VanDerWaalsContact O-N 3.08Å; L47-M231 HydrophobicContact CB-CE 4.2Å; L47-M231 HydrophobicContact CD1-CB 3.88Å; L47-M231 HydrophobicContact CD2-CB 3.81Å; L47-M231 HydrophobicContact CD2-CG 4.45Å; L47-M231 HydrophobicContact CD2-SD 3.98Å; L47-M231 HydrophobicContact CG-CB 4.3Å; L47-M231 VanDerWaalsContact O-CE 3.28Å; L47-M231 WeakPolarHBondContact O-CE 3.47Å; L47-A232 HydrophobicContact CD1-CB 4.34Å
48	L	98.9	Very high	98.6	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-61.5	-53.6	175.8	-173.4	61.6	0	0	0	110.7	L44 W45 I46 K50 A51 E52 A112 Y116 V200 F210 L224	L44-L48 PolarHBondContact O-N 3.49Å; W45-L48 WeakPolarHBondContact O-CB 3.49Å; W45-L48 PolarHBondContact O-N 2.95Å; I46-L48 VanDerWaalsContact C-N 3.28Å; I46-L48 PolarHBondContact O-N 3.22Å; L48-K50 VanDerWaalsContact C-N 3.3Å; L48-K50 PolarHBondContact O-N 3.44Å; L48-A51 PolarHBondContact O-N 2.95Å; L48-E52 HydrophobicContact CD1-CG 4.27Å; L48-E52 HydrophobicContact CG-CG 4.35Å; L48-E52 WeakPolarHBondContact O-CB 3.44Å; L48-E52 WeakPolarHBondContact O-CG 3.23Å; L48-E52 PolarHBondContact O-N 2.95Å; L48-A112 HydrophobicContact CD2-CB 3.96Å; L48-Y116 HydrophobicContact CB-CE1 3.9Å; L48-Y116 WeakPolarHBondContact CB-OH 3.46Å; L48-Y116 HydrophobicContact CD1-CE2 4.48Å; L48-Y116 HydrophobicContact CD2-CD1 4.21Å; L48-Y116 HydrophobicContact CD2-CE1 3.88Å; L48-Y116 HydrophobicContact CG-CE1 4.37Å; L48-V200 HydrophobicContact CD1-CG1 3.71Å; L48-F210 HydrophobicContact CD1-CE1 4.15Å; L48-F210 HydrophobicContact CD1-CZ 4.47Å; L48-L224 HydrophobicContact CD1-CD1 4.21Å; L48-L224 HydrophobicContact CD1-CD2 4.33Å
49	A	98.9	Very high	98.6	Very high	2 Å²	2	31.2 Å²	31.2	2%	0.017	17%	0.173	C	C	.	.	H	α-helix	trans	-60.2	-38.8	-178.7	0	0	0	0	0	112.3	W45 I46 K53 I59 I64 M67 I107	W45-A49 PolarHBondContact O-N 3.34Å; I46-A49 PolarHBondContact O-N 3.38Å; A49-K53 VanDerWaalsContact O-CB 3.29Å; A49-K53 WeakPolarHBondContact O-CB 3.37Å; A49-K53 PolarHBondContact O-N 3.13Å; A49-I59 HydrophobicContact CB-CD1 4.37Å; A49-I59 HydrophobicContact CB-CG2 4.46Å; A49-I64 HydrophobicContact CB-CG1 4.22Å; A49-M67 HydrophobicContact CB-CE 4.38Å; A49-M67 HydrophobicContact CB-SD 4.2Å; A49-I107 HydrophobicContact CB-CD1 4.05Å
50	K	98.8	Very high	98.6	Very high	63 Å²	63	34.1 Å²	34.1	27%	0.274	19%	0.191	S	C	.	.	H	α-helix	trans	-61.2	-50.7	173.9	-76.4	-178.8	176.5	-171.6	0	112.2	I46 L48 K53 E54 I64 E68	I46-K50 HydrophobicContact CG2-CD 4.22Å; I46-K50 HydrophobicContact CG2-CG 4.5Å; I46-K50 WeakPolarHBondContact O-CG 3.18Å; I46-K50 PolarHBondContact O-N 2.96Å; L48-K50 VanDerWaalsContact C-N 3.3Å; L48-K50 PolarHBondContact O-N 3.44Å; K50-K53 PolarHBondContact O-N 3.45Å; K50-E54 WeakPolarHBondContact O-CG 3.41Å; K50-E54 PolarHBondContact O-N 3.34Å; K50-I64 HydrophobicContact CD-CG2 4.39Å; K50-I64 HydrophobicContact CG-CD1 4.06Å; K50-I64 HydrophobicContact CG-CG2 3.78Å; K50-E68 WeakPolarHBondContact CE-OE1 3.48Å; K50-E68 IonicContact NZ-OE1 2.75Å; K50-E68 PolarHBondContact NZ-OE1 3.41Å
51	A	98.8	Very high	98.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-66.5	-41.2	-179.7	0	0	0	0	0	112.1	L47 L48 K53 E54 L55 L224 K227 V228 M231	L47-A51 PolarHBondContact O-N 3.41Å; L47-A51 VanDerWaalsContact O-N 3.08Å; L48-A51 PolarHBondContact O-N 2.95Å; A51-K53 VanDerWaalsContact C-N 3.34Å; A51-K53 PolarHBondContact O-N 3.37Å; A51-E54 PolarHBondContact O-N 3.12Å; A51-L55 VanDerWaalsContact O-CG 3.26Å; A51-L55 WeakPolarHBondContact O-CG 3.49Å; A51-L55 PolarHBondContact O-N 3.36Å; A51-L224 HydrophobicContact CB-CD1 3.44Å; A51-L224 VanDerWaalsContact CB-CD1 3.44Å; A51-K227 HydrophobicContact CB-CB 3.94Å; A51-K227 HydrophobicContact CB-CD 4.24Å; A51-V228 HydrophobicContact CB-CG1 4Å; A51-M231 HydrophobicContact CB-CE 3.76Å
52	E	98.8	Very high	98.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59.9	-42.9	175.4	-79.3	-177.8	154.9	0	0	112.2	L48 L55 G56 L57 I59 L224	L48-E52 HydrophobicContact CD1-CG 4.27Å; L48-E52 HydrophobicContact CG-CG 4.35Å; L48-E52 WeakPolarHBondContact O-CB 3.44Å; L48-E52 WeakPolarHBondContact O-CG 3.23Å; L48-E52 PolarHBondContact O-N 2.95Å; E52-L55 PolarHBondContact O-N 3.39Å; E52-G56 PolarHBondContact O-N 3.05Å; E52-L57 HydrophobicContact CB-CB 4.3Å; E52-L57 HydrophobicContact CB-CD1 3.89Å; E52-L57 HydrophobicContact CB-CG 4.37Å; E52-L57 HydrophobicContact CG-CD1 3.88Å; E52-L57 WeakPolarHBondContact O-CB 3.47Å; E52-L57 PolarHBondContact O-N 2.93Å; E52-I59 HydrophobicContact CB-CD1 3.56Å; E52-L224 HydrophobicContact CG-CD1 4.05Å; E52-L224 HydrophobicContact CG-CD2 4.4Å
53	K	98.7	Very high	98.6	Very high	64 Å²	64	43 Å²	43	28%	0.278	25%	0.247	S	C	.	.	H	α-helix	trans	-59.6	-50	173.4	-177.9	177.3	-178.6	-123.1	0	111.7	A49 K50 A51 L55 G56 I59 D61 I64	A49-K53 VanDerWaalsContact O-CB 3.29Å; A49-K53 WeakPolarHBondContact O-CB 3.37Å; A49-K53 PolarHBondContact O-N 3.13Å; K50-K53 PolarHBondContact O-N 3.45Å; A51-K53 VanDerWaalsContact C-N 3.34Å; A51-K53 PolarHBondContact O-N 3.37Å; K53-L55 PolarHBondContact O-N 2.68Å; K53-G56 PolarHBondContact O-N 3.06Å; K53-I59 HydrophobicContact CB-CB 3.98Å; K53-I59 HydrophobicContact CB-CG2 4.31Å; K53-I59 VanDerWaalsContact CD-O 3.28Å; K53-I59 WeakPolarHBondContact CD-O 3.48Å; K53-I59 VanDerWaalsContact CE-O 3.31Å; K53-I59 WeakPolarHBondContact CE-O 3.49Å; K53-I59 HydrophobicContact CG-CB 4.4Å; K53-I59 WeakPolarHBondContact CG-O 3.42Å; K53-D61 IonicContact NZ-OD1 2.58Å; K53-D61 PolarHBondContact NZ-OD1 2.96Å; K53-D61 IonicContact NZ-OD2 2.79Å; K53-D61 PolarHBondContact NZ-OD2 3.35Å; K53-I64 HydrophobicContact CB-CD1 4.14Å; K53-I64 HydrophobicContact CD-CD1 3.53Å; K53-I64 HydrophobicContact CG-CD1 4.48Å
54	E	98.4	Very high	98.6	Very high	121 Å²	121	39.1 Å²	39.1	57%	0.565	23%	0.23	S	C	*	.	H	α-helix	trans	-59.7	-27.8	179.2	-74.9	179.2	-160.6	0	0	112.7	K50 A51 G56 K227	K50-E54 WeakPolarHBondContact O-CG 3.41Å; K50-E54 PolarHBondContact O-N 3.34Å; A51-E54 PolarHBondContact O-N 3.12Å; E54-G56 VanDerWaalsContact C-N 3.33Å; E54-K227 WeakPolarHBondContact OE2-CE 3.5Å; E54-K227 IonicContact OE2-NZ 3.62Å; E54-K227 PolarHBondContact OE2-NZ 3.18Å
55	L	98.5	Very high	98.6	Very high	21 Å²	21	44.1 Å²	44.1	11%	0.11	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	4.1	178.7	-65.1	170.6	0	0	0	113.9	A51 E52 K53 F214 K220 E223 L224 K227	A51-L55 VanDerWaalsContact O-CG 3.26Å; A51-L55 WeakPolarHBondContact O-CG 3.49Å; A51-L55 PolarHBondContact O-N 3.36Å; E52-L55 PolarHBondContact O-N 3.39Å; K53-L55 PolarHBondContact O-N 2.68Å; L55-F214 HydrophobicContact CB-CE1 3.77Å; L55-F214 HydrophobicContact CB-CZ 4.01Å; L55-F214 HydrophobicContact CD1-CZ 4.05Å; L55-K220 WeakPolarHBondContact CD1-O 3.29Å; L55-K220 HydrophobicContact CD2-CG 4.46Å; L55-K220 PolarHBondContact O-NZ 3.39Å; L55-E223 HydrophobicContact CD2-CB 4.08Å; L55-E223 HydrophobicContact CD2-CG 3.71Å; L55-L224 HydrophobicContact CD1-CB 3.58Å; L55-L224 HydrophobicContact CD1-CD1 4.1Å; L55-L224 HydrophobicContact CD1-CG 4.43Å; L55-K227 HydrophobicContact CG-CD 4.46Å
56	G	97.8	Very high	98.5	Very high	58 Å²	58	46 Å²	46	60%	0.598	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	96	14.1	169.8	0	0	0	0	0	115.3	E52 K53 E54	E52-G56 PolarHBondContact O-N 3.05Å; K53-G56 PolarHBondContact O-N 3.06Å; E54-G56 VanDerWaalsContact C-N 3.33Å
57	L	98.3	Very high	98.5	Very high	23 Å²	23	45.6 Å²	45.6	12%	0.12	26%	0.26	C	S	.	.			trans	-71.3	146.1	166.5	-65.3	-170	0	0	0	110.2	E52 I59 L110 L213 F214	E52-L57 HydrophobicContact CB-CB 4.3Å; E52-L57 HydrophobicContact CB-CD1 3.89Å; E52-L57 HydrophobicContact CB-CG 4.37Å; E52-L57 HydrophobicContact CG-CD1 3.88Å; E52-L57 WeakPolarHBondContact O-CB 3.47Å; E52-L57 PolarHBondContact O-N 2.93Å; L57-I59 HydrophobicContact CB-CD1 4.39Å; L57-I59 HydrophobicContact CB-CG1 4.41Å; L57-I59 PolarHBondContact O-N 3.3Å; L57-L110 HydrophobicContact CD1-CD2 4.12Å; L57-L213 HydrophobicContact CD1-CB 4.46Å; L57-F214 HydrophobicContact CD1-CE1 4.12Å; L57-F214 HydrophobicContact CD1-CZ 4.22Å; L57-F214 HydrophobicContact CD2-CD1 4.2Å; L57-F214 HydrophobicContact CD2-CE1 4.02Å; L57-F214 HydrophobicContact CG-CD1 4.43Å; L57-F214 HydrophobicContact CG-CE1 3.75Å; L57-F214 HydrophobicContact CG-CZ 4.31Å
58	P	97.4	Very high	98.5	Very high	124 Å²	124	47.1 Å²	47.1	81%	0.805	27%	0.267	S	S	*	.	S	Bend	trans	-76.1	67.4	-174	32.9	-37.3	0	0	0	112
59	I	98.5	Very high	98.5	Very high	9 Å²	9	51.5 Å²	51.5	5%	0.046	29%	0.294	C	S	.	.			trans	-110	130.7	177.3	-60	175.5	0	0	0	108.1	A49 E52 K53 L57 I64 I107	A49-I59 HydrophobicContact CB-CD1 4.37Å; A49-I59 HydrophobicContact CB-CG2 4.46Å; E52-I59 HydrophobicContact CB-CD1 3.56Å; K53-I59 HydrophobicContact CB-CB 3.98Å; K53-I59 HydrophobicContact CB-CG2 4.31Å; K53-I59 VanDerWaalsContact CD-O 3.28Å; K53-I59 WeakPolarHBondContact CD-O 3.48Å; K53-I59 VanDerWaalsContact CE-O 3.31Å; K53-I59 WeakPolarHBondContact CE-O 3.49Å; K53-I59 HydrophobicContact CG-CB 4.4Å; K53-I59 WeakPolarHBondContact CG-O 3.42Å; L57-I59 HydrophobicContact CB-CD1 4.39Å; L57-I59 HydrophobicContact CB-CG1 4.41Å; L57-I59 PolarHBondContact O-N 3.3Å; I59-I64 HydrophobicContact CG2-CD1 4Å; I59-I64 HydrophobicContact CG2-CG1 3.91Å; I59-I107 HydrophobicContact CG1-CB 4.41Å; I59-I107 HydrophobicContact CG1-CG2 4.26Å; I59-I107 HydrophobicContact CG2-CG1 4.46Å
60	T	98.5	Very high	98.5	Very high	72 Å²	72	53.8 Å²	53.8	44%	0.442	30%	0.304	S	S	.	.			trans	-92.7	154.8	-176.9	65.6	0	0	0	0	112.1	A62 Q63 I64	T60-A62 PolarHBondContact O-N 3.32Å; T60-Q63 PolarHBondContact O-N 2.93Å; T60-Q63 VanDerWaalsContact OG1-CG 3.23Å; T60-Q63 WeakPolarHBondContact OG1-CG 3.28Å; T60-Q63 PolarHBondContact OG1-N 3.39Å; T60-Q63 PolarHBondContact OG1-OE1 2.95Å; T60-I64 PolarHBondContact O-N 3.33Å
61	D	98.4	Very high	98.4	Very high	109 Å²	109	51.1 Å²	51.1	58%	0.583	29%	0.294	S	S	*	.	H	α-helix	trans	-60.1	-34.4	172.4	-75.5	-54	0	0	0	112.4	K53 Q63 I64 Q65	K53-D61 IonicContact NZ-OD1 2.58Å; K53-D61 PolarHBondContact NZ-OD1 2.96Å; K53-D61 IonicContact NZ-OD2 2.79Å; K53-D61 PolarHBondContact NZ-OD2 3.35Å; D61-Q63 VanDerWaalsContact C-N 3.34Å; D61-Q63 PolarHBondContact O-N 3.34Å; D61-I64 PolarHBondContact O-N 3.34Å; D61-Q65 VanDerWaalsContact O-CB 3.26Å; D61-Q65 WeakPolarHBondContact O-CB 3.3Å; D61-Q65 PolarHBondContact O-N 2.9Å
62	A	98.4	Very high	98.3	Very high	68 Å²	68	56.6 Å²	56.6	56%	0.562	32%	0.319	S	S	*	.	H	α-helix	trans	-61.3	-41.7	177	0	0	0	0	0	112.1	T60 Q65 E66	T60-A62 PolarHBondContact O-N 3.32Å; A62-Q65 PolarHBondContact O-N 3.3Å; A62-E66 WeakPolarHBondContact O-CB 3.49Å; A62-E66 PolarHBondContact O-N 3.14Å
63	Q	98.7	Very high	98	Very high	26 Å²	26	61.3 Å²	61.3	12%	0.121	34%	0.344	C	S	.	.	H	α-helix	trans	-63.8	-45.8	176.6	-72.9	169.4	-52	0	0	111.7	T60 D61 E66 M67 S103 A104 I107	T60-Q63 PolarHBondContact O-N 2.93Å; T60-Q63 VanDerWaalsContact OG1-CG 3.23Å; T60-Q63 WeakPolarHBondContact OG1-CG 3.28Å; T60-Q63 PolarHBondContact OG1-N 3.39Å; T60-Q63 PolarHBondContact OG1-OE1 2.95Å; D61-Q63 VanDerWaalsContact C-N 3.34Å; D61-Q63 PolarHBondContact O-N 3.34Å; Q63-E66 PolarHBondContact O-N 3.21Å; Q63-M67 WeakPolarHBondContact O-CG 3.42Å; Q63-M67 PolarHBondContact O-N 2.95Å; Q63-M67 VanDerWaalsContact O-N 3.12Å; Q63-S103 WeakPolarHBondContact CG-O 3.25Å; Q63-S103 PolarHBondContact NE2-O 3.4Å; Q63-A104 HydrophobicContact CB-CB 4.03Å; Q63-A104 HydrophobicContact CG-CB 4.41Å; Q63-I107 HydrophobicContact CB-CG1 4.46Å
64	I	98.8	Very high	97.9	Very high	10 Å²	10	58.9 Å²	58.9	5%	0.051	33%	0.334	C	S	.	.	H	α-helix	trans	-64.1	-44.8	178.5	-65.6	170.4	0	0	0	110.4	A49 K50 K53 I59 T60 D61 E66 M67 E68	A49-I64 HydrophobicContact CB-CG1 4.22Å; K50-I64 HydrophobicContact CD-CG2 4.39Å; K50-I64 HydrophobicContact CG-CD1 4.06Å; K50-I64 HydrophobicContact CG-CG2 3.78Å; K53-I64 HydrophobicContact CB-CD1 4.14Å; K53-I64 HydrophobicContact CD-CD1 3.53Å; K53-I64 HydrophobicContact CG-CD1 4.48Å; I59-I64 HydrophobicContact CG2-CD1 4Å; I59-I64 HydrophobicContact CG2-CG1 3.91Å; T60-I64 PolarHBondContact O-N 3.33Å; D61-I64 PolarHBondContact O-N 3.34Å; I64-E66 VanDerWaalsContact C-N 3.33Å; I64-E66 PolarHBondContact O-N 2.99Å; I64-M67 WeakPolarHBondContact O-CB 3.35Å; I64-M67 PolarHBondContact O-N 3.19Å; I64-E68 WeakPolarHBondContact O-CG 3.3Å; I64-E68 PolarHBondContact O-N 3.32Å
65	Q	98.6	Very high	97.9	Very high	108 Å²	108	56.9 Å²	56.9	51%	0.505	33%	0.328	S	S	.	.	H	α-helix	trans	-63.5	-37.5	179.7	-173.3	61.8	69.9	0	0	112.3	D61 A62 E68 T69	D61-Q65 VanDerWaalsContact O-CB 3.26Å; D61-Q65 WeakPolarHBondContact O-CB 3.3Å; D61-Q65 PolarHBondContact O-N 2.9Å; A62-Q65 PolarHBondContact O-N 3.3Å; Q65-E68 PolarHBondContact O-N 2.9Å; Q65-T69 WeakPolarHBondContact O-CB 3.47Å; Q65-T69 PolarHBondContact O-N 3.33Å; Q65-T69 PolarHBondContact O-OG1 2.82Å
66	E	98.6	Very high	97.8	Very high	42 Å²	42	59.6 Å²	59.6	20%	0.196	34%	0.339	C	S	.	.	H	α-helix	trans	-62.5	-47	174	-172.7	-176.9	-123.4	0	0	110.7	A62 Q63 I64 E68 T69 H70 C101 P102 S103 A104	A62-E66 WeakPolarHBondContact O-CB 3.49Å; A62-E66 PolarHBondContact O-N 3.14Å; Q63-E66 PolarHBondContact O-N 3.21Å; I64-E66 VanDerWaalsContact C-N 3.33Å; I64-E66 PolarHBondContact O-N 2.99Å; E66-E68 VanDerWaalsContact C-N 3.34Å; E66-E68 PolarHBondContact O-N 3.37Å; E66-T69 PolarHBondContact O-N 3.29Å; E66-H70 PolarHBondContact O-CD2 2.96Å; E66-H70 PolarHBondContact O-N 3.13Å; E66-C101 VanDerWaalsContact CD-CA 3.4Å; E66-C101 HydrophobicContact CG-CB 3.93Å; E66-C101 VanDerWaalsContact OE2-CA 3.25Å; E66-C101 WeakPolarHBondContact OE2-CA 3.33Å; E66-C101 WeakPolarHBondContact OE2-CB 3.32Å; E66-P102 VanDerWaalsContact OE1-CD 3.31Å; E66-P102 WeakPolarHBondContact OE1-CD 3.43Å; E66-S103 PolarHBondContact OE1-N 3.05Å; E66-S103 PolarHBondContact OE1-OG 2.75Å; E66-S103 WeakPolarHBondContact OE2-CA 3.42Å; E66-S103 VanDerWaalsContact OE2-CB 3.32Å; E66-S103 WeakPolarHBondContact OE2-CB 2.87Å; E66-S103 PolarHBondContact OE2-N 3.39Å; E66-S103 PolarHBondContact OE2-OG 2.99Å; E66-A104 PolarHBondContact OE2-N 3.04Å
67	M	98.7	Very high	97.8	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.005	34%	0.339	C	S	.	.	H	α-helix	trans	-60.1	-42.9	176.1	-66	170.2	69.8	0	0	112	W45 I46 A49 Q63 I64 H70 A71 F97 A104 I107 I108	W45-M67 HydrophobicContact CB-CE 3.79Å; I46-M67 HydrophobicContact CD1-CB 4.27Å; I46-M67 HydrophobicContact CG1-CB 3.63Å; I46-M67 HydrophobicContact CG1-CE 3.99Å; A49-M67 HydrophobicContact CB-CE 4.38Å; A49-M67 HydrophobicContact CB-SD 4.2Å; Q63-M67 WeakPolarHBondContact O-CG 3.42Å; Q63-M67 PolarHBondContact O-N 2.95Å; Q63-M67 VanDerWaalsContact O-N 3.12Å; I64-M67 WeakPolarHBondContact O-CB 3.35Å; I64-M67 PolarHBondContact O-N 3.19Å; M67-H70 CarbonylContact O-C 3.42Å; M67-H70 PolarHBondContact O-N 3.42Å; M67-A71 PolarHBondContact O-N 3.32Å; M67-F97 HydrophobicContact CB-CE1 4.24Å; M67-F97 HydrophobicContact CB-CZ 3.75Å; M67-F97 HydrophobicContact CE-CE1 3.85Å; M67-F97 HydrophobicContact CE-CZ 4.5Å; M67-F97 HydrophobicContact CG-CE1 4.22Å; M67-F97 HydrophobicContact CG-CZ 4.11Å; M67-F97 WeakPolarHBondContact O-CZ 3.44Å; M67-A104 HydrophobicContact CG-CB 3.45Å; M67-A104 VanDerWaalsContact CG-CB 3.45Å; M67-A104 HydrophobicContact SD-CB 3.81Å; M67-I107 HydrophobicContact SD-CD1 3.62Å; M67-I108 HydrophobicContact CE-CG1 4.05Å; M67-I108 HydrophobicContact SD-CG1 4.31Å
68	E	98.5	Very high	97.8	Very high	67 Å²	67	61.8 Å²	61.8	31%	0.313	34%	0.34	S	S	.	.	H	α-helix	trans	-63.5	-42.1	177.5	-74	-177.9	145.7	0	0	112.7	I46 K50 I64 Q65 E66 H70 A71	I46-E68 HydrophobicContact CD1-CG 4.13Å; I46-E68 HydrophobicContact CG1-CG 4.43Å; I46-E68 HydrophobicContact CG2-CG 3.73Å; K50-E68 WeakPolarHBondContact CE-OE1 3.48Å; K50-E68 IonicContact NZ-OE1 2.75Å; K50-E68 PolarHBondContact NZ-OE1 3.41Å; I64-E68 WeakPolarHBondContact O-CG 3.3Å; I64-E68 PolarHBondContact O-N 3.32Å; Q65-E68 PolarHBondContact O-N 2.9Å; E66-E68 VanDerWaalsContact C-N 3.34Å; E66-E68 PolarHBondContact O-N 3.37Å; E68-H70 PolarHBondContact O-N 3.03Å; E68-A71 VanDerWaalsContact O-CB 3.31Å; E68-A71 WeakPolarHBondContact O-CB 3.46Å; E68-A71 PolarHBondContact O-N 3.2Å; E68-A71 VanDerWaalsContact O-N 3.13Å
69	T	98.4	Very high	97.8	Very high	94 Å²	94	56 Å²	56	58%	0.577	30%	0.302	S	S	*	.	H	α-helix	trans	-59.3	-38.1	178.3	-57.8	0	0	0	0	111.2	Q65 E66	Q65-T69 WeakPolarHBondContact O-CB 3.47Å; Q65-T69 PolarHBondContact O-N 3.33Å; Q65-T69 PolarHBondContact O-OG1 2.82Å; E66-T69 PolarHBondContact O-N 3.29Å
70	H	98.1	Very high	97.7	Very high	49 Å²	49	58.3 Å²	58.3	23%	0.227	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	16.5	178.9	-65.9	-77.4	0	0	0	113.6	R42 E66 M67 E68 E72 D73 F97 C100	R42-H70 PolarHBondContact NH1-O 3.42Å; E66-H70 PolarHBondContact O-CD2 2.96Å; E66-H70 PolarHBondContact O-N 3.13Å; M67-H70 CarbonylContact O-C 3.42Å; M67-H70 PolarHBondContact O-N 3.42Å; E68-H70 PolarHBondContact O-N 3.03Å; H70-E72 PolarHBondContact O-N 3.35Å; H70-E72 VanDerWaalsContact O-N 3.13Å; H70-D73 IonicContact ND1-OD2 3.68Å; H70-D73 PolarHBondContact ND1-OD2 3.4Å; H70-D73 PolarHBondContact O-N 3.27Å; H70-F97 HydrophobicContact CB-CE2 4.1Å; H70-C100 PolarHBondContact CD2-O 2.99Å
71	A	97.1	Very high	97.7	Very high	8 Å²	8	59.9 Å²	59.9	7%	0.066	33%	0.325	C	S	.	.	S	Bend	trans	-59.8	-30.8	-176.2	0	0	0	0	0	113.2	R42 I46 M67 E68	R42-A71 WeakPolarHBondContact CD-O 3.31Å; I46-A71 HydrophobicContact CD1-CB 3.78Å; M67-A71 PolarHBondContact O-N 3.32Å; E68-A71 VanDerWaalsContact O-CB 3.31Å; E68-A71 WeakPolarHBondContact O-CB 3.46Å; E68-A71 PolarHBondContact O-N 3.2Å; E68-A71 VanDerWaalsContact O-N 3.13Å
72	E	96.5	Very high	97.6	Very high	115 Å²	115	56.5 Å²	56.5	54%	0.537	31%	0.306	S	S	.	.	S	Bend	trans	-111.2	-3.6	-176.6	-48.5	-158.2	161.1	0	0	113.5	K35 T39 K43 H70 I74	K35-E72 PolarHBondContact NZ-O 3.03Å; T39-E72 HydrophobicContact CG2-CG 3.92Å; K43-E72 IonicContact NZ-OE1 3.72Å; K43-E72 PolarHBondContact NZ-OE1 2.63Å; H70-E72 PolarHBondContact O-N 3.35Å; H70-E72 VanDerWaalsContact O-N 3.13Å; E72-I74 PolarHBondContact O-N 2.86Å
73	D	93.1	Very high	97.5	Very high	98 Å²	98	57.2 Å²	57.2	52%	0.524	30%	0.298	S	S	.	.			trans	-92.5	79	-177	-177.4	22.7	0	0	0	112	R42 H70	R42-D73 VanDerWaalsContact NH1-C 3.34Å; R42-D73 PolarHBondContact NH1-O 2.88Å; R42-D73 PolarHBondContact NH2-O 2.98Å; H70-D73 IonicContact ND1-OD2 3.68Å; H70-D73 PolarHBondContact ND1-OD2 3.4Å; H70-D73 PolarHBondContact O-N 3.27Å
74	I	97.5	Very high	97.4	Very high	13 Å²	13	63.8 Å²	63.8	7%	0.067	32%	0.321	C	S	.	.			trans	-101	113.2	-171.2	-56.9	162.4	0	0	0	110.4	K35 F38 T39 E72 F76	K35-I74 HydrophobicContact CD-CD1 4.43Å; F38-I74 HydrophobicContact CB-CD1 3.81Å; T39-I74 WeakPolarHBondContact OG1-CD1 3.48Å; E72-I74 PolarHBondContact O-N 2.86Å; I74-F76 HydrophobicContact CB-CD2 4.3Å; I74-F76 HydrophobicContact CB-CE2 3.9Å; I74-F76 HydrophobicContact CB-CZ 4.25Å; I74-F76 HydrophobicContact CD1-CZ 4.42Å; I74-F76 HydrophobicContact CG2-CD1 4.29Å; I74-F76 HydrophobicContact CG2-CD2 4.03Å; I74-F76 HydrophobicContact CG2-CE1 4.15Å; I74-F76 HydrophobicContact CG2-CE2 3.86Å; I74-F76 HydrophobicContact CG2-CG 4.24Å; I74-F76 HydrophobicContact CG2-CZ 3.92Å; I74-F76 VanDerWaalsContact O-CD2 3.32Å; I74-F76 WeakPolarHBondContact O-CD2 3.35Å; I74-F76 PolarHBondContact O-N 2.81Å; I74-F76 VanDerWaalsContact O-N 3.16Å
75	D	97.8	Very high	97.3	Very high	79 Å²	79	71 Å²	71	42%	0.422	35%	0.352	S	S	.	.			trans	-77.3	93.1	166.7	-173	-16.4	0	0	0	110.5	T77 M78 A79 T96	D75-T77 VanDerWaalsContact C-N 3.3Å; D75-T77 PolarHBondContact O-N 3.14Å; D75-T77 WeakPolarHBondContact OD1-CB 3.19Å; D75-T77 PolarHBondContact OD1-N 2.98Å; D75-M78 HydrophobicContact CB-CB 4.03Å; D75-M78 VanDerWaalsContact CG-CB 3.45Å; D75-M78 PolarHBondContact OD1-N 2.89Å; D75-M78 WeakPolarHBondContact OD2-CB 3.49Å; D75-A79 PolarHBondContact O-N 3.2Å; D75-T96 HydrophobicContact CB-CG2 4.26Å; D75-T96 WeakPolarHBondContact O-CG2 3.42Å
76	F	97.1	Very high	97.1	Very high	79 Å²	79	68.9 Å²	68.9	35%	0.346	34%	0.344	S	S	.	.	H	α-helix	trans	-66.4	-30.6	178	-75.4	-82.2	0	0	0	113.3	D34 K35 F38 I74 A79 A80	D34-F76 HydrophobicContact CB-CE1 4.09Å; K35-F76 HydrophobicContact CD-CE2 4.19Å; K35-F76 HydrophobicContact CD-CZ 4.3Å; F38-F76 AromaticContact CD2-CE1 3.68Å; F38-F76 HydrophobicContact CD2-CE1 3.68Å; F38-F76 HydrophobicContact CD2-CZ 4.4Å; F38-F76 HydrophobicContact CE2-CE1 4.17Å; I74-F76 HydrophobicContact CB-CD2 4.3Å; I74-F76 HydrophobicContact CB-CE2 3.9Å; I74-F76 HydrophobicContact CB-CZ 4.25Å; I74-F76 HydrophobicContact CD1-CZ 4.42Å; I74-F76 HydrophobicContact CG2-CD1 4.29Å; I74-F76 HydrophobicContact CG2-CD2 4.03Å; I74-F76 HydrophobicContact CG2-CE1 4.15Å; I74-F76 HydrophobicContact CG2-CE2 3.86Å; I74-F76 HydrophobicContact CG2-CG 4.24Å; I74-F76 HydrophobicContact CG2-CZ 3.92Å; I74-F76 VanDerWaalsContact O-CD2 3.32Å; I74-F76 WeakPolarHBondContact O-CD2 3.35Å; I74-F76 PolarHBondContact O-N 2.81Å; I74-F76 VanDerWaalsContact O-N 3.16Å; F76-A79 PolarHBondContact O-N 3.03Å; F76-A80 WeakPolarHBondContact O-CB 3.31Å; F76-A80 PolarHBondContact O-N 3.37Å
77	T	97.8	Very high	97	Very high	98 Å²	98	76.5 Å²	76.5	60%	0.601	37%	0.371	S	S	*	.	H	α-helix	trans	-66.4	-49.8	178.3	-56.4	0	0	0	0	109.5	D75 A79 A80 E81	D75-T77 VanDerWaalsContact C-N 3.3Å; D75-T77 PolarHBondContact O-N 3.14Å; D75-T77 WeakPolarHBondContact OD1-CB 3.19Å; D75-T77 PolarHBondContact OD1-N 2.98Å; T77-A79 VanDerWaalsContact C-N 3.34Å; T77-A79 PolarHBondContact O-N 2.63Å; T77-A80 PolarHBondContact O-N 3.41Å; T77-E81 WeakPolarHBondContact O-CG 3.3Å; T77-E81 PolarHBondContact O-N 2.91Å
78	M	97.8	Very high	96.8	Very high	29 Å²	29	79.7 Å²	79.7	14%	0.143	39%	0.386	C	S	.	.	H	α-helix	trans	-60.6	-43.4	174.8	-177.5	-179.3	-177.6	0	0	111.5	D75 A80 E81 Q82 T96 H99	D75-M78 HydrophobicContact CB-CB 4.03Å; D75-M78 VanDerWaalsContact CG-CB 3.45Å; D75-M78 PolarHBondContact OD1-N 2.89Å; D75-M78 WeakPolarHBondContact OD2-CB 3.49Å; M78-A80 VanDerWaalsContact C-N 3.34Å; M78-A80 PolarHBondContact O-N 2.86Å; M78-E81 PolarHBondContact O-N 2.78Å; M78-Q82 HydrophobicContact CE-CG 4.43Å; M78-Q82 HydrophobicContact CG-CG 4.25Å; M78-Q82 WeakPolarHBondContact O-CB 3.36Å; M78-Q82 VanDerWaalsContact O-CG 3.3Å; M78-Q82 WeakPolarHBondContact O-CG 3.27Å; M78-Q82 PolarHBondContact O-N 2.99Å; M78-T96 HydrophobicContact CB-CG2 4.29Å; M78-T96 HydrophobicContact CG-CG2 4.31Å; M78-T96 HydrophobicContact SD-CG2 4.17Å; M78-H99 HydrophobicContact CE-CB 3.59Å; M78-H99 HydrophobicContact SD-CB 3.96Å
79	A	97.6	Very high	96.6	Very high	2 Å²	2	77.8 Å²	77.8	2%	0.017	38%	0.378	C	S	.	.	H	α-helix	trans	-59.7	-44.2	178.5	0	0	0	0	0	111.9	D75 F76 T77 E81 Q82 E83 T96	D75-A79 PolarHBondContact O-N 3.2Å; F76-A79 PolarHBondContact O-N 3.03Å; T77-A79 VanDerWaalsContact C-N 3.34Å; T77-A79 PolarHBondContact O-N 2.63Å; A79-E81 PolarHBondContact O-N 3.07Å; A79-Q82 PolarHBondContact O-N 3.33Å; A79-E83 WeakPolarHBondContact O-CB 3.19Å; A79-E83 PolarHBondContact O-N 3.15Å; A79-T96 VanDerWaalsContact CA-OG1 3.32Å; A79-T96 WeakPolarHBondContact CA-OG1 3.42Å; A79-T96 HydrophobicContact CB-CG2 4.36Å; A79-T96 PolarHBondContact N-OG1 3.41Å
80	A	96.5	Very high	96.6	Very high	57 Å²	57	73.5 Å²	73.5	47%	0.471	35%	0.351	S	S	.	.	H	α-helix	trans	-64.1	-39.9	176.9	0	0	0	0	0	112.4	F76 T77 M78 E83 R84	F76-A80 WeakPolarHBondContact O-CB 3.31Å; F76-A80 PolarHBondContact O-N 3.37Å; T77-A80 PolarHBondContact O-N 3.41Å; M78-A80 VanDerWaalsContact C-N 3.34Å; M78-A80 PolarHBondContact O-N 2.86Å; A80-E83 PolarHBondContact O-N 3.29Å; A80-R84 WeakPolarHBondContact O-CB 3.3Å; A80-R84 PolarHBondContact O-N 3.36Å
81	E	97.4	Very high	96.5	Very high	105 Å²	105	74.3 Å²	74.3	49%	0.491	36%	0.356	S	S	.	.	H	α-helix	trans	-63.9	-43.9	174.7	-73.1	-176.1	171.7	0	0	112.4	T77 M78 A79 R84 K85	T77-E81 WeakPolarHBondContact O-CG 3.3Å; T77-E81 PolarHBondContact O-N 2.91Å; M78-E81 PolarHBondContact O-N 2.78Å; A79-E81 PolarHBondContact O-N 3.07Å; E81-R84 PolarHBondContact O-N 3.21Å; E81-K85 PolarHBondContact O-N 2.85Å; E81-K85 VanDerWaalsContact O-N 3.14Å
82	Q	97.1	Very high	96.6	Very high	39 Å²	39	73.9 Å²	73.9	18%	0.182	35%	0.353	C	S	.	.	H	α-helix	trans	-64.7	-41.5	175.9	-68.4	-62.6	-20.7	0	0	111.2	M78 A79 R84 K85 L86 A92 H95	M78-Q82 HydrophobicContact CE-CG 4.43Å; M78-Q82 HydrophobicContact CG-CG 4.25Å; M78-Q82 WeakPolarHBondContact O-CB 3.36Å; M78-Q82 VanDerWaalsContact O-CG 3.3Å; M78-Q82 WeakPolarHBondContact O-CG 3.27Å; M78-Q82 PolarHBondContact O-N 2.99Å; A79-Q82 PolarHBondContact O-N 3.33Å; Q82-R84 PolarHBondContact O-N 2.68Å; Q82-K85 PolarHBondContact O-N 2.92Å; Q82-K85 VanDerWaalsContact O-N 3.14Å; Q82-L86 HydrophobicContact CB-CD1 4.38Å; Q82-L86 WeakPolarHBondContact O-CB 3.25Å; Q82-L86 VanDerWaalsContact O-CG 3.29Å; Q82-L86 WeakPolarHBondContact O-CG 3.22Å; Q82-L86 PolarHBondContact O-N 3.41Å; Q82-A92 HydrophobicContact CB-CB 3.68Å; Q82-H95 HydrophobicContact CG-CB 4.35Å
83	E	96.7	Very high	96.7	Very high	83 Å²	83	68.7 Å²	68.7	39%	0.388	33%	0.328	S	S	.	.	H	α-helix	trans	-64.5	-41.6	177.7	-173	176.4	175.3	0	0	111.3	A79 A80 K85 L86 R87 D89 A92	A79-E83 WeakPolarHBondContact O-CB 3.19Å; A79-E83 PolarHBondContact O-N 3.15Å; A80-E83 PolarHBondContact O-N 3.29Å; E83-K85 PolarHBondContact O-N 2.99Å; E83-L86 PolarHBondContact O-N 3.5Å; E83-R87 VanDerWaalsContact O-CA 3.29Å; E83-R87 WeakPolarHBondContact O-CA 3.33Å; E83-R87 PolarHBondContact O-N 3.02Å; E83-D89 HydrophobicContact CG-CB 4.49Å; E83-A92 HydrophobicContact CB-CB 3.74Å; E83-A92 VanDerWaalsContact N-CB 3.3Å
84	R	96.7	Very high	96.9	Very high	164 Å²	164	64.7 Å²	64.7	62%	0.619	31%	0.308	S	S	*	.	H	α-helix	trans	-58.5	-36.1	173.7	-177.4	-179.7	62.8	173.8	-4.9	112.1	A80 E81 Q82 R87	A80-R84 WeakPolarHBondContact O-CB 3.3Å; A80-R84 PolarHBondContact O-N 3.36Å; E81-R84 PolarHBondContact O-N 3.21Å; Q82-R84 PolarHBondContact O-N 2.68Å; R84-R87 PolarHBondContact O-NE 3.36Å; R84-R87 PolarHBondContact O-NH2 3.23Å
85	K	96.1	Very high	96.9	Very high	162 Å²	162	68.2 Å²	68.2	70%	0.704	32%	0.323	S	S	*	.	H	α-helix	trans	-77.2	-49	179	-177.5	-178.6	177.9	-176.2	0	112.3	E81 Q82 E83	E81-K85 PolarHBondContact O-N 2.85Å; E81-K85 VanDerWaalsContact O-N 3.14Å; Q82-K85 PolarHBondContact O-N 2.92Å; Q82-K85 VanDerWaalsContact O-N 3.14Å; E83-K85 PolarHBondContact O-N 2.99Å
86	L	94.7	Very high	97	Very high	63 Å²	63	64.6 Å²	64.6	33%	0.33	30%	0.304	S	S	.	.	H	α-helix	trans	-88.8	-18.6	-169.3	-60.8	173.7	0	0	0	113.2	Q82 E83 H88 M91 H95	Q82-L86 HydrophobicContact CB-CD1 4.38Å; Q82-L86 WeakPolarHBondContact O-CB 3.25Å; Q82-L86 VanDerWaalsContact O-CG 3.29Å; Q82-L86 WeakPolarHBondContact O-CG 3.22Å; Q82-L86 PolarHBondContact O-N 3.41Å; E83-L86 PolarHBondContact O-N 3.5Å; L86-H88 PolarHBondContact O-N 2.96Å; L86-M91 HydrophobicContact CD1-CB 4.23Å; L86-H95 VanDerWaalsContact CD1-CD2 3.43Å; L86-H95 WeakPolarHBondContact CD1-CD2 3.37Å
87	R	95.1	Very high	97.1	Very high	201 Å²	201	60.8 Å²	60.8	76%	0.758	29%	0.288	S	S	*	.	S	Bend	trans	55	32.5	-173.8	-52.2	-58.1	-177.4	174.5	-2.1	112.6	E83 R84	E83-R87 VanDerWaalsContact O-CA 3.29Å; E83-R87 WeakPolarHBondContact O-CA 3.33Å; E83-R87 PolarHBondContact O-N 3.02Å; R84-R87 PolarHBondContact O-NE 3.36Å; R84-R87 PolarHBondContact O-NH2 3.23Å
88	H	95.4	Very high	97.1	Very high	69 Å²	69	56.9 Å²	56.9	32%	0.319	27%	0.265	S	S	.	.			trans	-150.2	112.5	-178.2	-167.4	-36.5	0	0	0	110.4	L86 V90 M91 A92 S114	L86-H88 PolarHBondContact O-N 2.96Å; H88-V90 PolarHBondContact ND1-N 3.36Å; H88-M91 HydrophobicContact CB-CB 4.17Å; H88-M91 HydrophobicContact CB-CG 4.4Å; H88-M91 PolarHBondContact ND1-N 2.92Å; H88-M91 PolarHBondContact O-N 2.84Å; H88-A92 WeakPolarHBondContact O-CB 3.39Å; H88-A92 PolarHBondContact O-N 3.16Å; H88-S114 PolarHBondContact CE1-OG 2.86Å; H88-S114 PolarHBondContact NE2-OG 3.25Å; H88-S114 VanDerWaalsContact NE2-OG 3.12Å
89	D	94.8	Very high	97.1	Very high	27 Å²	27	61.9 Å²	61.9	14%	0.144	29%	0.288	C	S	.	.	H	α-helix	trans	-63	-47.2	-175.4	61.7	-10.9	0	0	0	113.2	E83 M91 A92 H93 R340	E83-D89 HydrophobicContact CG-CB 4.49Å; D89-M91 PolarHBondContact O-N 3.13Å; D89-A92 WeakPolarHBondContact O-CB 3.41Å; D89-A92 PolarHBondContact O-N 2.67Å; D89-H93 PolarHBondContact O-CD2 2.97Å; D89-H93 PolarHBondContact O-N 3.32Å; D89-R340 IonicContact OD2-CZ 3.05Å; D89-R340 IonicContact OD2-NH1 3.47Å; D89-R340 IonicContact OD2-NH2 3.6Å; D89-R340 PolarHBondContact OD2-NH2 3.31Å
90	V	97.4	Very high	97.1	Very high	3 Å²	3	63.2 Å²	63.2	2%	0.018	30%	0.297	C	S	.	.	H	α-helix	trans	-59	-50.1	176.7	-179.5	0	0	0	0	111.8	W41 W45 H88 A92 H93 V94 V117	W41-V90 HydrophobicContact CE3-CG2 4.5Å; W41-V90 HydrophobicContact CH2-CB 4.34Å; W41-V90 HydrophobicContact CH2-CG2 3.44Å; W41-V90 VanDerWaalsContact CH2-CG2 3.44Å; W41-V90 HydrophobicContact CZ2-CG2 4.09Å; W41-V90 HydrophobicContact CZ3-CB 4.15Å; W41-V90 HydrophobicContact CZ3-CG2 3.71Å; W45-V90 HydrophobicContact CZ2-CG1 4Å; H88-V90 PolarHBondContact ND1-N 3.36Å; V90-A92 VanDerWaalsContact C-N 3.29Å; V90-A92 PolarHBondContact O-N 3.14Å; V90-H93 CarbonylContact O-C 3.36Å; V90-H93 PolarHBondContact O-N 3.35Å; V90-H93 VanDerWaalsContact O-N 3.12Å; V90-V94 HydrophobicContact CG1-CG2 4.3Å; V90-V94 WeakPolarHBondContact O-CG2 3.45Å; V90-V94 PolarHBondContact O-N 3.48Å; V90-V117 HydrophobicContact CG1-CG2 3.76Å; V90-V117 HydrophobicContact CG2-CG2 3.97Å
91	M	97.4	Very high	97.2	Very high	66 Å²	66	60.5 Å²	60.5	33%	0.325	28%	0.275	S	S	.	.	H	α-helix	trans	-64.4	-36	-179.6	-68.3	-52.9	-55.4	0	0	112.2	L86 H88 D89 H93 V94 H95	L86-M91 HydrophobicContact CD1-CB 4.23Å; H88-M91 HydrophobicContact CB-CB 4.17Å; H88-M91 HydrophobicContact CB-CG 4.4Å; H88-M91 PolarHBondContact ND1-N 2.92Å; H88-M91 PolarHBondContact O-N 2.84Å; D89-M91 PolarHBondContact O-N 3.13Å; M91-H93 VanDerWaalsContact C-N 3.33Å; M91-H93 PolarHBondContact O-N 3.35Å; M91-V94 HydrophobicContact CE-CB 4.44Å; M91-V94 HydrophobicContact CE-CG1 4.39Å; M91-V94 PolarHBondContact O-N 3.36Å; M91-H95 PolarHBondContact O-CD2 2.68Å; M91-H95 PolarHBondContact O-N 3.47Å
92	A	98	Very high	97.2	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-56.7	-47.9	171.9	0	0	0	0	0	111.7	Q82 E83 H88 D89 V90 H95 T96	Q82-A92 HydrophobicContact CB-CB 3.68Å; E83-A92 HydrophobicContact CB-CB 3.74Å; E83-A92 VanDerWaalsContact N-CB 3.3Å; H88-A92 WeakPolarHBondContact O-CB 3.39Å; H88-A92 PolarHBondContact O-N 3.16Å; D89-A92 WeakPolarHBondContact O-CB 3.41Å; D89-A92 PolarHBondContact O-N 2.67Å; V90-A92 VanDerWaalsContact C-N 3.29Å; V90-A92 PolarHBondContact O-N 3.14Å; A92-H95 PolarHBondContact O-N 3.26Å; A92-T96 PolarHBondContact O-N 3.13Å; A92-T96 PolarHBondContact O-OG1 3.34Å; A92-T96 VanDerWaalsContact O-OG1 3.05Å
93	H	98.6	Very high	97.2	Very high	5 Å²	5	60.4 Å²	60.4	2%	0.023	29%	0.288	C	S	.	.	H	α-helix	trans	-69.9	-30	177.1	-82.7	-93.2	0	0	0	114	F38 W41 W45 D89 V90 M91 F97	F38-H93 AromaticContact CD1-CD2 3.74Å; F38-H93 AromaticContact CD1-CE1 3.27Å; F38-H93 WeakPolarHBondContact CD1-CE1 3.26Å; F38-H93 AromaticContact CD1-CG 3.74Å; F38-H93 AromaticContact CD1-ND1 3.46Å; F38-H93 WeakPolarHBondContact CD1-ND1 3.34Å; F38-H93 AromaticContact CD1-NE2 3.45Å; F38-H93 WeakPolarHBondContact CD1-NE2 3.43Å; F38-H93 AromaticContact CD2-CE1 3.58Å; F38-H93 AromaticContact CD2-NE2 3.93Å; F38-H93 AromaticContact CE1-CD2 3.47Å; F38-H93 VanDerWaalsContact CE1-CD2 3.47Å; F38-H93 WeakPolarHBondContact CE1-CD2 3.41Å; F38-H93 AromaticContact CE1-CE1 3.57Å; F38-H93 AromaticContact CE1-CG 3.95Å; F38-H93 AromaticContact CE1-NE2 3.2Å; F38-H93 WeakPolarHBondContact CE1-NE2 3.39Å; F38-H93 AromaticContact CE2-CE1 3.85Å; F38-H93 AromaticContact CE2-NE2 3.71Å; F38-H93 AromaticContact CG-CE1 3.27Å; F38-H93 WeakPolarHBondContact CG-CE1 3.47Å; F38-H93 AromaticContact CG-ND1 3.7Å; F38-H93 AromaticContact CG-NE2 3.8Å; F38-H93 AromaticContact CZ-CE1 3.84Å; F38-H93 AromaticContact CZ-NE2 3.33Å; F38-H93 VanDerWaalsContact CZ-NE2 3.33Å; F38-H93 WeakPolarHBondContact CZ-NE2 3.01Å; W41-H93 HydrophobicContact CE3-CB 3.96Å; W41-H93 HydrophobicContact CZ3-CB 4.07Å; W45-H93 HydrophobicContact CH2-CB 4.02Å; W45-H93 HydrophobicContact CZ3-CB 4.47Å; D89-H93 PolarHBondContact O-CD2 2.97Å; D89-H93 PolarHBondContact O-N 3.32Å; V90-H93 CarbonylContact O-C 3.36Å; V90-H93 PolarHBondContact O-N 3.35Å; V90-H93 VanDerWaalsContact O-N 3.12Å; M91-H93 VanDerWaalsContact C-N 3.33Å; M91-H93 PolarHBondContact O-N 3.35Å; H93-F97 VanDerWaalsContact O-CB 3.27Å; H93-F97 WeakPolarHBondContact O-CB 3.35Å; H93-F97 PolarHBondContact O-N 3.44Å
94	V	98.3	Very high	97.3	Very high	15 Å²	15	56.5 Å²	56.5	9%	0.091	27%	0.269	C	S	.	.	H	α-helix	trans	-61.8	-48.5	170.1	169.9	0	0	0	0	109.9	W45 V90 M91 F97 A98 I108 H109	W45-V94 HydrophobicContact CH2-CG2 3.85Å; W45-V94 HydrophobicContact CZ2-CG2 3.41Å; W45-V94 VanDerWaalsContact CZ2-CG2 3.41Å; V90-V94 HydrophobicContact CG1-CG2 4.3Å; V90-V94 WeakPolarHBondContact O-CG2 3.45Å; V90-V94 PolarHBondContact O-N 3.48Å; M91-V94 HydrophobicContact CE-CB 4.44Å; M91-V94 HydrophobicContact CE-CG1 4.39Å; M91-V94 PolarHBondContact O-N 3.36Å; V94-F97 PolarHBondContact O-N 2.87Å; V94-A98 WeakPolarHBondContact O-CB 3.36Å; V94-A98 PolarHBondContact O-N 3.32Å; V94-I108 HydrophobicContact CG1-CG2 4.06Å; V94-I108 HydrophobicContact CG2-CG2 4.38Å; V94-H109 HydrophobicContact CG2-CB 4.09Å
95	H	97.9	Very high	97.4	Very high	86 Å²	86	50.4 Å²	50.4	40%	0.398	25%	0.254	S	S	.	.	H	α-helix	trans	-63.9	-42.7	177.8	-79.7	-73.8	0	0	0	112.6	Q82 L86 M91 A92 A98 H99	Q82-H95 HydrophobicContact CG-CB 4.35Å; L86-H95 VanDerWaalsContact CD1-CD2 3.43Å; L86-H95 WeakPolarHBondContact CD1-CD2 3.37Å; M91-H95 PolarHBondContact O-CD2 2.68Å; M91-H95 PolarHBondContact O-N 3.47Å; A92-H95 PolarHBondContact O-N 3.26Å; H95-A98 PolarHBondContact O-N 3.11Å; H95-H99 WeakPolarHBondContact O-CB 3.19Å; H95-H99 PolarHBondContact O-N 2.91Å
96	T	98.4	Very high	97.5	Very high	3 Å²	3	47.6 Å²	47.6	2%	0.018	25%	0.252	C	S	.	.	H	α-helix	trans	-63.7	-40.3	176.5	-60	0	0	0	0	111.7	D75 M78 A79 A92 H99	D75-T96 HydrophobicContact CB-CG2 4.26Å; D75-T96 WeakPolarHBondContact O-CG2 3.42Å; M78-T96 HydrophobicContact CB-CG2 4.29Å; M78-T96 HydrophobicContact CG-CG2 4.31Å; M78-T96 HydrophobicContact SD-CG2 4.17Å; A79-T96 VanDerWaalsContact CA-OG1 3.32Å; A79-T96 WeakPolarHBondContact CA-OG1 3.42Å; A79-T96 HydrophobicContact CB-CG2 4.36Å; A79-T96 PolarHBondContact N-OG1 3.41Å; A92-T96 PolarHBondContact O-N 3.13Å; A92-T96 PolarHBondContact O-OG1 3.34Å; A92-T96 VanDerWaalsContact O-OG1 3.05Å; T96-H99 PolarHBondContact O-N 2.83Å
97	F	98.6	Very high	97.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-73.1	-39.6	178.2	-166.9	-150	0	0	0	112.3	R42 W45 M67 H70 H93 V94 H99 C100 C101 I108	R42-F97 HydrophobicContact CB-CD1 4.47Å; R42-F97 HydrophobicContact CB-CE1 3.97Å; R42-F97 HydrophobicContact CB-CE2 4.37Å; R42-F97 HydrophobicContact CB-CZ 3.91Å; R42-F97 HydrophobicContact CG-CD1 3.88Å; R42-F97 HydrophobicContact CG-CD2 3.99Å; R42-F97 HydrophobicContact CG-CE1 3.86Å; R42-F97 HydrophobicContact CG-CE2 3.98Å; R42-F97 HydrophobicContact CG-CG 3.94Å; R42-F97 HydrophobicContact CG-CZ 3.91Å; R42-F97 VanDerWaalsContact CZ-CD2 3.44Å; R42-F97 VanDerWaalsContact NE-CD2 3.35Å; W45-F97 HydrophobicContact CB-CE1 4.49Å; W45-F97 AromaticContact CE3-CD1 3.69Å; W45-F97 HydrophobicContact CE3-CD1 3.69Å; W45-F97 HydrophobicContact CE3-CE1 4.18Å; W45-F97 HydrophobicContact CZ3-CD1 4.22Å; M67-F97 HydrophobicContact CB-CE1 4.24Å; M67-F97 HydrophobicContact CB-CZ 3.75Å; M67-F97 HydrophobicContact CE-CE1 3.85Å; M67-F97 HydrophobicContact CE-CZ 4.5Å; M67-F97 HydrophobicContact CG-CE1 4.22Å; M67-F97 HydrophobicContact CG-CZ 4.11Å; M67-F97 WeakPolarHBondContact O-CZ 3.44Å; H70-F97 HydrophobicContact CB-CE2 4.1Å; H93-F97 VanDerWaalsContact O-CB 3.27Å; H93-F97 WeakPolarHBondContact O-CB 3.35Å; H93-F97 PolarHBondContact O-N 3.44Å; V94-F97 PolarHBondContact O-N 2.87Å; F97-H99 PolarHBondContact O-N 2.91Å; F97-C100 PolarHBondContact O-N 3.17Å; F97-C100 PolarHBondContact O-SG 2.73Å; F97-C101 VanDerWaalsContact CE2-SG 3.54Å; F97-C101 WeakPolarHBondContact O-CB 3.39Å; F97-C101 PolarHBondContact O-N 3.42Å; F97-I108 HydrophobicContact CB-CD1 4.36Å; F97-I108 HydrophobicContact CD1-CD1 3.75Å; F97-I108 HydrophobicContact CD1-CG1 4.3Å; F97-I108 HydrophobicContact CD1-CG2 4.33Å; F97-I108 HydrophobicContact CE1-CD1 4.35Å; F97-I108 HydrophobicContact CG-CD1 4.12Å
98	A	98.1	Very high	97.8	Very high	16 Å²	16	36.5 Å²	36.5	13%	0.132	21%	0.208	C	C	.	.	H	α-helix	trans	-60.6	-31.7	172.8	0	0	0	0	0	112.6	V94 H95 C101 A105 I108	V94-A98 WeakPolarHBondContact O-CB 3.36Å; V94-A98 PolarHBondContact O-N 3.32Å; H95-A98 PolarHBondContact O-N 3.11Å; A98-C101 CarbonylContact O-C 3.56Å; A98-C101 PolarHBondContact O-N 3.26Å; A98-A105 HydrophobicContact CB-CB 3.61Å; A98-I108 HydrophobicContact CB-CD1 4.24Å
99	H	98	Very high	98	Very high	133 Å²	133	34.5 Å²	34.5	62%	0.616	20%	0.199	S	C	*	.	H	α-helix	trans	-65.5	-44.4	178.2	-177.2	65.3	0	0	0	112.9	M78 H95 T96 F97 C101	M78-H99 HydrophobicContact CE-CB 3.59Å; M78-H99 HydrophobicContact SD-CB 3.96Å; H95-H99 WeakPolarHBondContact O-CB 3.19Å; H95-H99 PolarHBondContact O-N 2.91Å; T96-H99 PolarHBondContact O-N 2.83Å; F97-H99 PolarHBondContact O-N 2.91Å; H99-C101 VanDerWaalsContact C-N 3.3Å
100	C	97.6	Very high	98.1	Very high	31 Å²	31	35.8 Å²	35.8	21%	0.209	21%	0.205	C	C	.	.	H	α-helix	trans	-81.4	-8.2	173.6	58.8	0	0	0	0	113.5	H70 F97 P102	H70-C100 PolarHBondContact CD2-O 2.99Å; F97-C100 PolarHBondContact O-N 3.17Å; F97-C100 PolarHBondContact O-SG 2.73Å; C100-P102 VanDerWaalsContact C-CD 3.49Å
101	C	98.2	Very high	98.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.213	C	C	.	.			trans	-129	65.2	178.7	-55.7	0	0	0	0	111.2	E66 F97 A98 H99 S103 A104 A105 I108	E66-C101 VanDerWaalsContact CD-CA 3.4Å; E66-C101 HydrophobicContact CG-CB 3.93Å; E66-C101 VanDerWaalsContact OE2-CA 3.25Å; E66-C101 WeakPolarHBondContact OE2-CA 3.33Å; E66-C101 WeakPolarHBondContact OE2-CB 3.32Å; F97-C101 VanDerWaalsContact CE2-SG 3.54Å; F97-C101 WeakPolarHBondContact O-CB 3.39Å; F97-C101 PolarHBondContact O-N 3.42Å; A98-C101 CarbonylContact O-C 3.56Å; A98-C101 PolarHBondContact O-N 3.26Å; H99-C101 VanDerWaalsContact C-N 3.3Å; C101-S103 VanDerWaalsContact C-N 3.26Å; C101-S103 PolarHBondContact O-N 2.92Å; C101-A104 HydrophobicContact CB-CB 4.04Å; C101-A104 CarbonylContact O-C 3.39Å; C101-A104 PolarHBondContact O-N 3.43Å; C101-A104 VanDerWaalsContact O-N 3.14Å; C101-A105 PolarHBondContact O-N 3.15Å; C101-I108 HydrophobicContact CB-CD1 4.47Å
102	P	98	Very high	98.1	Very high	92 Å²	92	34.2 Å²	34.2	60%	0.597	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-31.5	-173.8	24.5	-35.6	0	0	0	113.5	E66 C100	E66-P102 VanDerWaalsContact OE1-CD 3.31Å; E66-P102 WeakPolarHBondContact OE1-CD 3.43Å; C100-P102 VanDerWaalsContact C-CD 3.49Å
103	S	97.9	Very high	98.1	Very high	50 Å²	50	35 Å²	35	35%	0.35	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-37.3	177.3	83.1	0	0	0	0	111.5	Q63 E66 C101 P106	Q63-S103 WeakPolarHBondContact CG-O 3.25Å; Q63-S103 PolarHBondContact NE2-O 3.4Å; E66-S103 PolarHBondContact OE1-N 3.05Å; E66-S103 PolarHBondContact OE1-OG 2.75Å; E66-S103 WeakPolarHBondContact OE2-CA 3.42Å; E66-S103 VanDerWaalsContact OE2-CB 3.32Å; E66-S103 WeakPolarHBondContact OE2-CB 2.87Å; E66-S103 PolarHBondContact OE2-N 3.39Å; E66-S103 PolarHBondContact OE2-OG 2.99Å; C101-S103 VanDerWaalsContact C-N 3.26Å; C101-S103 PolarHBondContact O-N 2.92Å; S103-P106 WeakPolarHBondContact O-CD 3.14Å
104	A	98.3	Very high	98	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-14.2	-179.7	0	0	0	0	0	113.9	Q63 E66 M67 C101 P106 I107 I108	Q63-A104 HydrophobicContact CB-CB 4.03Å; Q63-A104 HydrophobicContact CG-CB 4.41Å; E66-A104 PolarHBondContact OE2-N 3.04Å; M67-A104 HydrophobicContact CG-CB 3.45Å; M67-A104 VanDerWaalsContact CG-CB 3.45Å; M67-A104 HydrophobicContact SD-CB 3.81Å; C101-A104 HydrophobicContact CB-CB 4.04Å; C101-A104 CarbonylContact O-C 3.39Å; C101-A104 PolarHBondContact O-N 3.43Å; C101-A104 VanDerWaalsContact O-N 3.14Å; A104-P106 VanDerWaalsContact C-N 3.28Å; A104-P106 VanDerWaalsContact O-N 3.08Å; A104-I107 HydrophobicContact CB-CD1 4.14Å; A104-I107 VanDerWaalsContact O-CG1 3.32Å; A104-I107 WeakPolarHBondContact O-CG1 3.13Å; A104-I107 PolarHBondContact O-N 2.78Å; A104-I108 WeakPolarHBondContact O-CG1 3.37Å; A104-I108 PolarHBondContact O-N 2.76Å
105	A	98.2	Very high	98	Very high	36 Å²	36	36.1 Å²	36.1	30%	0.298	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-44.9	-42	-179.2	0	0	0	0	0	114.7	A98 C101 I107	A98-A105 HydrophobicContact CB-CB 3.61Å; C101-A105 PolarHBondContact O-N 3.15Å; A105-I107 VanDerWaalsContact C-N 3.28Å; A105-I107 PolarHBondContact O-N 3.49Å
106	P	98.2	Very high	98.1	Very high	103 Å²	103	32.1 Å²	32.1	67%	0.669	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-17.4	-179.9	-20	34.8	0	0	0	115.2	S103 A104	S103-P106 WeakPolarHBondContact O-CD 3.14Å; A104-P106 VanDerWaalsContact C-N 3.28Å; A104-P106 VanDerWaalsContact O-N 3.08Å
107	I	98.4	Very high	98.1	Very high	18 Å²	18	32 Å²	32	9%	0.092	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-8.6	-174.3	62.9	72.2	0	0	0	113.3	A49 I59 Q63 M67 A104 A105 H109 L110	A49-I107 HydrophobicContact CB-CD1 4.05Å; I59-I107 HydrophobicContact CG1-CB 4.41Å; I59-I107 HydrophobicContact CG1-CG2 4.26Å; I59-I107 HydrophobicContact CG2-CG1 4.46Å; Q63-I107 HydrophobicContact CB-CG1 4.46Å; M67-I107 HydrophobicContact SD-CD1 3.62Å; A104-I107 HydrophobicContact CB-CD1 4.14Å; A104-I107 VanDerWaalsContact O-CG1 3.32Å; A104-I107 WeakPolarHBondContact O-CG1 3.13Å; A104-I107 PolarHBondContact O-N 2.78Å; A105-I107 VanDerWaalsContact C-N 3.28Å; A105-I107 PolarHBondContact O-N 3.49Å; I107-H109 PolarHBondContact O-N 3.19Å; I107-L110 WeakPolarHBondContact O-CB 3.35Å; I107-L110 PolarHBondContact O-N 3.25Å
108	I	98.5	Very high	98.1	Very high	13 Å²	13	32.6 Å²	32.6	7%	0.067	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	128.3	174.8	-67.4	167.3	0	0	0	108.9	W45 M67 V94 F97 A98 C101 A104 L110	W45-I108 HydrophobicContact CD2-CG2 4.05Å; W45-I108 HydrophobicContact CE3-CG2 4.39Å; W45-I108 HydrophobicContact CG-CG2 4.14Å; M67-I108 HydrophobicContact CE-CG1 4.05Å; M67-I108 HydrophobicContact SD-CG1 4.31Å; V94-I108 HydrophobicContact CG1-CG2 4.06Å; V94-I108 HydrophobicContact CG2-CG2 4.38Å; F97-I108 HydrophobicContact CB-CD1 4.36Å; F97-I108 HydrophobicContact CD1-CD1 3.75Å; F97-I108 HydrophobicContact CD1-CG1 4.3Å; F97-I108 HydrophobicContact CD1-CG2 4.33Å; F97-I108 HydrophobicContact CE1-CD1 4.35Å; F97-I108 HydrophobicContact CG-CD1 4.12Å; A98-I108 HydrophobicContact CB-CD1 4.24Å; C101-I108 HydrophobicContact CB-CD1 4.47Å; A104-I108 WeakPolarHBondContact O-CG1 3.37Å; A104-I108 PolarHBondContact O-N 2.76Å; I108-L110 VanDerWaalsContact C-N 3.25Å; I108-L110 PolarHBondContact O-N 3.26Å
109	H	98.5	Very high	98.1	Very high	27 Å²	27	32.1 Å²	32.1	13%	0.125	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	16.9	177.9	-155.2	53	0	0	0	115.4	W45 V94 I107 G111 A112 T113	W45-H109 AromaticContact CD1-ND1 3.85Å; W45-H109 AromaticContact NE1-CG 3.55Å; W45-H109 AromaticContact NE1-ND1 3.02Å; W45-H109 PolarHBondContact NE1-ND1 3.5Å; V94-H109 HydrophobicContact CG2-CB 4.09Å; I107-H109 PolarHBondContact O-N 3.19Å; H109-G111 PolarHBondContact O-N 3.03Å; H109-A112 WeakPolarHBondContact ND1-CB 3.49Å; H109-A112 PolarHBondContact O-N 3.14Å; H109-A112 VanDerWaalsContact O-N 3.15Å; H109-T113 PolarHBondContact CE1-O 2.82Å
110	L	98.3	Very high	98.2	Very high	54 Å²	54	25.8 Å²	25.8	28%	0.283	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	127.4	179.3	-173.7	61.1	0	0	0	111.4	L57 I107 I108 A112 L213	L57-L110 HydrophobicContact CD1-CD2 4.12Å; I107-L110 WeakPolarHBondContact O-CB 3.35Å; I107-L110 PolarHBondContact O-N 3.25Å; I108-L110 VanDerWaalsContact C-N 3.25Å; I108-L110 PolarHBondContact O-N 3.26Å; L110-A112 PolarHBondContact O-N 3.1Å; L110-L213 HydrophobicContact CD1-CD1 4.43Å; L110-L213 HydrophobicContact CD1-CD2 4.01Å; L110-L213 HydrophobicContact CD2-CD2 4.41Å; L110-L213 HydrophobicContact CG-CD1 3.93Å; L110-L213 HydrophobicContact CG-CD2 4.14Å
111	G	96.4	Very high	98.2	Very high	18 Å²	18	24.3 Å²	24.3	19%	0.186	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	70	-12.4	179.3	0	0	0	0	0	116.6	H109 S209 F210 L213	H109-G111 PolarHBondContact O-N 3.03Å; G111-S209 VanDerWaalsContact O-CB 3.27Å; G111-S209 WeakPolarHBondContact O-CB 3.31Å; G111-S209 PolarHBondContact O-OG 3.04Å; G111-F210 VanDerWaalsContact C-CZ 3.42Å; G111-F210 WeakPolarHBondContact O-CE2 3.3Å; G111-F210 VanDerWaalsContact O-CZ 3.3Å; G111-F210 WeakPolarHBondContact O-CZ 3.49Å; G111-L213 VanDerWaalsContact CA-CD1 3.45Å
112	A	97.9	Very high	98.2	Very high	19 Å²	19	25.8 Å²	25.8	16%	0.157	17%	0.17	C	C	.	.			trans	-85.1	172.8	-175.1	0	0	0	0	0	113.3	L48 H109 L110 Y116 F210	L48-A112 HydrophobicContact CD2-CB 3.96Å; H109-A112 WeakPolarHBondContact ND1-CB 3.49Å; H109-A112 PolarHBondContact O-N 3.14Å; H109-A112 VanDerWaalsContact O-N 3.15Å; L110-A112 PolarHBondContact O-N 3.1Å; A112-Y116 HydrophobicContact CB-CD1 4.08Å; A112-Y116 HydrophobicContact CB-CG 4.02Å; A112-F210 HydrophobicContact CB-CZ 4.03Å
113	T	97	Very high	98.3	Very high	17 Å²	17	21.4 Å²	21.4	10%	0.104	14%	0.142	C	C	.	.			trans	-126.1	165.3	170.6	-175.5	0	0	0	0	109	H109 C115 Y116 G202	H109-T113 PolarHBondContact CE1-O 2.82Å; T113-C115 HydrophobicContact CG2-CB 4.29Å; T113-C115 PolarHBondContact O-N 2.78Å; T113-Y116 WeakPolarHBondContact O-CB 3.23Å; T113-Y116 PolarHBondContact O-N 2.64Å; T113-G202 VanDerWaalsContact CG2-O 3.23Å; T113-G202 WeakPolarHBondContact CG2-O 3.4Å
114	S	97.3	Very high	98.3	Very high	30 Å²	30	19.7 Å²	19.7	21%	0.21	13%	0.128	C	C	.	.	H	α-helix	trans	-46.3	-39.3	179.5	-55.6	0	0	0	0	114.3	H88 Y116 V117 G118	H88-S114 PolarHBondContact CE1-OG 2.86Å; H88-S114 PolarHBondContact NE2-OG 3.25Å; H88-S114 VanDerWaalsContact NE2-OG 3.12Å; S114-Y116 PolarHBondContact O-N 3.23Å; S114-V117 WeakPolarHBondContact O-CG2 3.45Å; S114-V117 PolarHBondContact O-N 3.49Å; S114-G118 PolarHBondContact O-N 3.46Å
115	C	98.4	Very high	98.4	Very high	13 Å²	13	20.3 Å²	20.3	9%	0.088	13%	0.131	C	C	.	.	H	α-helix	trans	-70	-12.9	177.7	-67.6	0	0	0	0	114.2	T113 V117 D119 Q243 T244	T113-C115 HydrophobicContact CG2-CB 4.29Å; T113-C115 PolarHBondContact O-N 2.78Å; C115-V117 VanDerWaalsContact C-N 3.33Å; C115-D119 HydrophobicContact CB-CB 4.33Å; C115-D119 WeakPolarHBondContact O-CB 3.3Å; C115-D119 PolarHBondContact O-N 3.17Å; C115-Q243 HydrophobicContact CB-CG 4.29Å; C115-Q243 WeakPolarHBondContact CB-O 3.27Å; C115-T244 HydrophobicContact CB-CG2 4.47Å
116	Y	98.9	Very high	98.4	Very high	1 Å²	1	18.6 Å²	18.6	0%	0.004	12%	0.117	C	C	.	.	H	α-helix	trans	-61.4	-42.9	169.6	174.5	-107.3	0	0	0	111.4	L44 L48 A112 T113 S114 N120 V200	L44-Y116 HydrophobicContact CB-CE1 3.98Å; L44-Y116 WeakPolarHBondContact O-CE1 3.48Å; L44-Y116 PolarHBondContact O-OH 3.29Å; L48-Y116 HydrophobicContact CB-CE1 3.9Å; L48-Y116 WeakPolarHBondContact CB-OH 3.46Å; L48-Y116 HydrophobicContact CD1-CE2 4.48Å; L48-Y116 HydrophobicContact CD2-CD1 4.21Å; L48-Y116 HydrophobicContact CD2-CE1 3.88Å; L48-Y116 HydrophobicContact CG-CE1 4.37Å; A112-Y116 HydrophobicContact CB-CD1 4.08Å; A112-Y116 HydrophobicContact CB-CG 4.02Å; T113-Y116 WeakPolarHBondContact O-CB 3.23Å; T113-Y116 PolarHBondContact O-N 2.64Å; S114-Y116 PolarHBondContact O-N 3.23Å; Y116-N120 VanDerWaalsContact O-CB 3.25Å; Y116-N120 WeakPolarHBondContact O-CB 3.25Å; Y116-N120 PolarHBondContact O-ND2 3.5Å; Y116-V200 HydrophobicContact CD2-CG1 3.75Å; Y116-V200 HydrophobicContact CE2-CG1 3.56Å
117	V	98.7	Very high	98.4	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-91.5	-39.2	177	-66.6	0	0	0	0	112.3	W41 L44 W45 V90 S114 C115 T121	W41-V117 HydrophobicContact CB-CB 4.04Å; W41-V117 HydrophobicContact CB-CG1 4.3Å; W41-V117 HydrophobicContact CD2-CB 3.94Å; W41-V117 HydrophobicContact CD2-CG2 3.69Å; W41-V117 HydrophobicContact CE3-CG2 4Å; W41-V117 HydrophobicContact CG-CB 3.68Å; W41-V117 HydrophobicContact CG-CG1 4.45Å; W41-V117 HydrophobicContact CG-CG2 4Å; W41-V117 HydrophobicContact CZ2-CG2 4.37Å; W41-V117 PolarHBondContact NE1-O 3.27Å; L44-V117 HydrophobicContact CB-CG1 4.2Å; W45-V117 HydrophobicContact CD2-CG1 3.98Å; W45-V117 VanDerWaalsContact CE2-CG1 3.49Å; W45-V117 HydrophobicContact CG-CG1 4.21Å; W45-V117 HydrophobicContact CZ2-CB 4.47Å; W45-V117 HydrophobicContact CZ2-CG1 3.86Å; W45-V117 HydrophobicContact CZ2-CG2 3.97Å; V90-V117 HydrophobicContact CG1-CG2 3.76Å; V90-V117 HydrophobicContact CG2-CG2 3.97Å; S114-V117 WeakPolarHBondContact O-CG2 3.45Å; S114-V117 PolarHBondContact O-N 3.49Å; C115-V117 VanDerWaalsContact C-N 3.33Å; V117-T121 WeakPolarHBondContact O-CB 3.5Å; V117-T121 PolarHBondContact O-N 2.96Å; V117-T121 VanDerWaalsContact O-N 3.17Å; V117-T121 PolarHBondContact O-OG1 3.24Å
118	G	98.6	Very high	98.5	Very high	14 Å²	14	16.1 Å²	16.1	14%	0.144	10%	0.096	C	C	.	.	H	α-helix	trans	-61.5	-65.8	-179.8	0	0	0	0	0	112.7	S114 N120 T121 D122	S114-G118 PolarHBondContact O-N 3.46Å; G118-N120 PolarHBondContact O-N 2.93Å; G118-T121 PolarHBondContact O-N 3.3Å; G118-D122 PolarHBondContact O-N 2.85Å
119	D	98.9	Very high	98.5	Very high	5 Å²	5	15.5 Å²	15.5	3%	0.027	9%	0.092	C	C	.	.	H	α-helix	trans	-68.3	-38.9	-172.4	-96.6	33.6	0	0	0	113.2	C115 T121 D122 L123 T244 Y245 R247	C115-D119 HydrophobicContact CB-CB 4.33Å; C115-D119 WeakPolarHBondContact O-CB 3.3Å; C115-D119 PolarHBondContact O-N 3.17Å; D119-T121 VanDerWaalsContact C-N 3.3Å; D119-T121 PolarHBondContact O-N 2.68Å; D119-D122 PolarHBondContact O-N 2.94Å; D119-L123 WeakPolarHBondContact O-CG 3.32Å; D119-L123 PolarHBondContact O-N 3.16Å; D119-T244 WeakPolarHBondContact OD2-CA 3.19Å; D119-T244 WeakPolarHBondContact OD2-CB 3.21Å; D119-T244 VanDerWaalsContact OD2-CG2 3.23Å; D119-T244 WeakPolarHBondContact OD2-CG2 3.48Å; D119-Y245 HydrophobicContact CB-CD1 3.74Å; D119-Y245 HydrophobicContact CB-CE1 4.03Å; D119-Y245 WeakPolarHBondContact OD2-CD1 3.43Å; D119-Y245 PolarHBondContact OD2-N 3.44Å; D119-R247 VanDerWaalsContact CG-NH1 3.33Å; D119-R247 IonicContact OD1-CZ 2.75Å; D119-R247 IonicContact OD1-NH1 3.79Å; D119-R247 PolarHBondContact OD1-NH1 3.24Å; D119-R247 VanDerWaalsContact OD1-NH1 3.15Å; D119-R247 IonicContact OD1-NH2 2.81Å; D119-R247 PolarHBondContact OD1-NH2 3.1Å; D119-R247 IonicContact OD2-CZ 3.62Å; D119-R247 IonicContact OD2-NH1 2.83Å; D119-R247 PolarHBondContact OD2-NH1 3.38Å; D119-R247 IonicContact OD2-NH2 2.71Å
120	N	98.9	Very high	98.5	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-66.8	-34.1	176.3	-75.7	-45.1	0	0	0	111.9	L44 Y116 G118 I124 F197 R198 G199	L44-N120 HydrophobicContact CD1-CB 3.79Å; L44-N120 HydrophobicContact CD2-CB 4.18Å; Y116-N120 VanDerWaalsContact O-CB 3.25Å; Y116-N120 WeakPolarHBondContact O-CB 3.25Å; Y116-N120 PolarHBondContact O-ND2 3.5Å; G118-N120 PolarHBondContact O-N 2.93Å; N120-I124 WeakPolarHBondContact O-CD1 3.49Å; N120-I124 VanDerWaalsContact O-CG1 3.29Å; N120-I124 WeakPolarHBondContact O-CG1 3.42Å; N120-I124 PolarHBondContact O-N 2.65Å; N120-F197 HydrophobicContact CB-CD2 4.39Å; N120-F197 HydrophobicContact CB-CE1 4.26Å; N120-F197 HydrophobicContact CB-CE2 3.49Å; N120-F197 VanDerWaalsContact CB-CE2 3.49Å; N120-F197 HydrophobicContact CB-CZ 3.42Å; N120-F197 VanDerWaalsContact CB-CZ 3.42Å; N120-F197 WeakPolarHBondContact OD1-CD1 3.27Å; N120-F197 WeakPolarHBondContact OD1-CD2 3.46Å; N120-F197 WeakPolarHBondContact OD1-CE1 3.27Å; N120-F197 VanDerWaalsContact OD1-CE2 3.25Å; N120-F197 WeakPolarHBondContact OD1-CE2 3.47Å; N120-F197 VanDerWaalsContact OD1-CZ 3.22Å; N120-F197 WeakPolarHBondContact OD1-CZ 3.33Å; N120-R198 VanDerWaalsContact OD1-CB 3.3Å; N120-R198 WeakPolarHBondContact OD1-CB 3.2Å; N120-R198 PolarHBondContact OD1-N 3.28Å; N120-G199 PolarHBondContact ND2-O 2.84Å; N120-G199 VanDerWaalsContact ND2-O 3.11Å; N120-G199 PolarHBondContact OD1-N 2.89Å
121	T	98.9	Very high	98.5	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-68.1	-43.6	173.8	-64.7	0	0	0	0	111.2	K37 T40 L44 V117 G118 D119 L123 I124 M125	K37-T121 HydrophobicContact CB-CG2 4.45Å; K37-T121 HydrophobicContact CG-CG2 4.07Å; T40-T121 HydrophobicContact CG2-CG2 3.85Å; T40-T121 WeakPolarHBondContact CG2-OG1 3.45Å; L44-T121 WeakPolarHBondContact CD1-OG1 3.29Å; V117-T121 WeakPolarHBondContact O-CB 3.5Å; V117-T121 PolarHBondContact O-N 2.96Å; V117-T121 VanDerWaalsContact O-N 3.17Å; V117-T121 PolarHBondContact O-OG1 3.24Å; G118-T121 PolarHBondContact O-N 3.3Å; D119-T121 VanDerWaalsContact C-N 3.3Å; D119-T121 PolarHBondContact O-N 2.68Å; T121-L123 VanDerWaalsContact C-N 3.31Å; T121-L123 PolarHBondContact O-N 3.12Å; T121-I124 WeakPolarHBondContact O-CB 3.2Å; T121-I124 PolarHBondContact O-N 3.07Å; T121-I124 VanDerWaalsContact O-N 3.15Å; T121-M125 HydrophobicContact CG2-CG 4.29Å; T121-M125 HydrophobicContact CG2-SD 3.59Å; T121-M125 VanDerWaalsContact CG2-SD 3.59Å; T121-M125 VanDerWaalsContact O-CG 3.31Å; T121-M125 WeakPolarHBondContact O-CG 3.46Å; T121-M125 PolarHBondContact O-N 2.91Å
122	D	98.9	Very high	98.6	Very high	32 Å²	32	15.2 Å²	15.2	17%	0.171	9%	0.087	C	C	.	.	H	α-helix	trans	-58.1	-44.9	175.6	-68.5	-13	0	0	0	110.5	G118 D119 I124 M125 L126 Y245 R339	G118-D122 PolarHBondContact O-N 2.85Å; D119-D122 PolarHBondContact O-N 2.94Å; D122-I124 PolarHBondContact O-N 3.43Å; D122-M125 PolarHBondContact O-N 2.89Å; D122-L126 VanDerWaalsContact O-CG 3.26Å; D122-L126 WeakPolarHBondContact O-CG 3.25Å; D122-L126 PolarHBondContact O-N 3.45Å; D122-Y245 HydrophobicContact CB-CE1 4.47Å; D122-R339 IonicContact OD2-CZ 3.2Å; D122-R339 IonicContact OD2-NH1 3.65Å; D122-R339 PolarHBondContact OD2-NH1 3.13Å; D122-R339 IonicContact OD2-NH2 2.9Å; D122-R339 PolarHBondContact OD2-NH2 2.97Å
123	L	98.9	Very high	98.7	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-61.8	-39.7	175.9	-70.6	165.8	0	0	0	113.1	D119 T121 L126 R127 L195 R196 R198 F234 Y245 V249	D119-L123 WeakPolarHBondContact O-CG 3.32Å; D119-L123 PolarHBondContact O-N 3.16Å; T121-L123 VanDerWaalsContact C-N 3.31Å; T121-L123 PolarHBondContact O-N 3.12Å; L123-L126 PolarHBondContact O-N 3.38Å; L123-R127 WeakPolarHBondContact O-CB 3.31Å; L123-R127 PolarHBondContact O-N 2.82Å; L123-L195 HydrophobicContact CD2-CD2 3.84Å; L123-R196 WeakPolarHBondContact CD1-O 3.1Å; L123-R198 HydrophobicContact CD1-CB 4.01Å; L123-F234 HydrophobicContact CB-CZ 4.16Å; L123-Y245 HydrophobicContact CD1-CD1 3.66Å; L123-Y245 HydrophobicContact CD1-CE1 4.25Å; L123-Y245 HydrophobicContact CD1-CG 4.13Å; L123-Y245 HydrophobicContact CD2-CD1 3.97Å; L123-Y245 HydrophobicContact CD2-CD2 4.34Å; L123-Y245 HydrophobicContact CD2-CE1 4.01Å; L123-Y245 HydrophobicContact CD2-CE2 4.4Å; L123-Y245 HydrophobicContact CD2-CG 4.15Å; L123-Y245 HydrophobicContact CG-CD1 3.7Å; L123-Y245 HydrophobicContact CG-CE1 3.77Å; L123-Y245 HydrophobicContact CG-CG 4.31Å; L123-V249 HydrophobicContact CD2-CG1 4.38Å
124	I	98.9	Very high	98.8	Very high	14 Å²	14	14 Å²	14	7%	0.072	8%	0.078	C	C	.	.	H	α-helix	trans	-62.5	-46.8	173.5	-72.4	163.1	0	0	0	110.2	T40 L44 N120 T121 D122 L126 R127 D128 F197 F234	T40-I124 HydrophobicContact CG2-CB 4.5Å; T40-I124 HydrophobicContact CG2-CD1 3.72Å; T40-I124 HydrophobicContact CG2-CG2 4.33Å; L44-I124 HydrophobicContact CD2-CD1 4.24Å; N120-I124 WeakPolarHBondContact O-CD1 3.49Å; N120-I124 VanDerWaalsContact O-CG1 3.29Å; N120-I124 WeakPolarHBondContact O-CG1 3.42Å; N120-I124 PolarHBondContact O-N 2.65Å; T121-I124 WeakPolarHBondContact O-CB 3.2Å; T121-I124 PolarHBondContact O-N 3.07Å; T121-I124 VanDerWaalsContact O-N 3.15Å; D122-I124 PolarHBondContact O-N 3.43Å; I124-L126 VanDerWaalsContact C-N 3.35Å; I124-L126 PolarHBondContact O-N 3.05Å; I124-R127 PolarHBondContact O-N 3.27Å; I124-D128 VanDerWaalsContact O-CB 3.31Å; I124-D128 WeakPolarHBondContact O-CB 3.48Å; I124-D128 PolarHBondContact O-N 3.41Å; I124-F197 HydrophobicContact CD1-CE2 4.24Å; I124-F197 HydrophobicContact CG1-CE2 4.29Å; I124-F234 HydrophobicContact CG1-CE2 3.84Å
125	M	98.9	Very high	98.8	Very high	12 Å²	12	13.1 Å²	13.1	6%	0.059	7%	0.071	C	C	.	.	H	α-helix	trans	-65.5	-36.3	179.9	-68.2	164.5	73.6	0	0	112.1	N31 F32 K37 T121 D122 G129	N31-M125 PolarHBondContact ND2-O 3.27Å; N31-M125 WeakPolarHBondContact O-CE 3.28Å; F32-M125 HydrophobicContact CB-CE 4.27Å; F32-M125 HydrophobicContact CD1-CE 3.55Å; F32-M125 HydrophobicContact CE1-CB 4.19Å; F32-M125 HydrophobicContact CE1-CE 4.22Å; F32-M125 HydrophobicContact CG-CE 4.19Å; K37-M125 HydrophobicContact CB-SD 4.4Å; T121-M125 HydrophobicContact CG2-CG 4.29Å; T121-M125 HydrophobicContact CG2-SD 3.59Å; T121-M125 VanDerWaalsContact CG2-SD 3.59Å; T121-M125 VanDerWaalsContact O-CG 3.31Å; T121-M125 WeakPolarHBondContact O-CG 3.46Å; T121-M125 PolarHBondContact O-N 2.91Å; D122-M125 PolarHBondContact O-N 2.89Å; M125-G129 PolarHBondContact O-N 3.45Å
126	L	98.9	Very high	98.8	Very high	1 Å²	1	13 Å²	13	1%	0.005	7%	0.069	C	C	.	.	H	α-helix	trans	-64.3	-48.7	173.3	-70.1	174	0	0	0	111.3	D122 L123 I124 G129 F130 L195 F347	D122-L126 VanDerWaalsContact O-CG 3.26Å; D122-L126 WeakPolarHBondContact O-CG 3.25Å; D122-L126 PolarHBondContact O-N 3.45Å; L123-L126 PolarHBondContact O-N 3.38Å; I124-L126 VanDerWaalsContact C-N 3.35Å; I124-L126 PolarHBondContact O-N 3.05Å; L126-G129 PolarHBondContact O-N 2.6Å; L126-F130 WeakPolarHBondContact O-CD2 3.42Å; L126-F130 PolarHBondContact O-N 3.16Å; L126-L195 HydrophobicContact CB-CD1 4.17Å; L126-F347 HydrophobicContact CD2-CD2 4.3Å; L126-F347 HydrophobicContact CD2-CE2 3.35Å; L126-F347 HydrophobicContact CD2-CZ 3.71Å
127	R	98.9	Very high	98.8	Very high	37 Å²	37	12.9 Å²	12.9	14%	0.14	7%	0.069	C	C	.	.	H	α-helix	trans	-58.4	-52.2	176.2	-179.2	-162.6	67.3	-162.4	-4.7	111.1	L123 I124 G129 F130 D131 L195 A232 G233 F234	L123-R127 WeakPolarHBondContact O-CB 3.31Å; L123-R127 PolarHBondContact O-N 2.82Å; I124-R127 PolarHBondContact O-N 3.27Å; R127-G129 VanDerWaalsContact C-N 3.26Å; R127-G129 PolarHBondContact O-N 3.16Å; R127-F130 PolarHBondContact O-N 2.84Å; R127-D131 PolarHBondContact O-N 2.87Å; R127-L195 HydrophobicContact CB-CD1 4.1Å; R127-A232 PolarHBondContact NH1-O 3.14Å; R127-G233 PolarHBondContact NH1-O 3.48Å; R127-F234 HydrophobicContact CB-CZ 4.24Å
128	D	98.9	Very high	98.8	Very high	31 Å²	31	12.9 Å²	12.9	17%	0.166	7%	0.069	C	C	.	.	H	α-helix	trans	-62.2	-36.5	-179.5	-68.2	5.1	0	0	0	110.5	N31 K36 I124 D131 I132	N31-D128 WeakPolarHBondContact OD1-CB 3.35Å; K36-D128 IonicContact NZ-OD2 2.67Å; K36-D128 PolarHBondContact NZ-OD2 3Å; I124-D128 VanDerWaalsContact O-CB 3.31Å; I124-D128 WeakPolarHBondContact O-CB 3.48Å; I124-D128 PolarHBondContact O-N 3.41Å; D128-D131 PolarHBondContact O-N 3.35Å; D128-I132 VanDerWaalsContact O-CG1 3.32Å; D128-I132 WeakPolarHBondContact O-CG1 3.49Å; D128-I132 PolarHBondContact O-N 3.45Å
129	G	98.9	Very high	98.8	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-60.8	-46.6	173.6	0	0	0	0	0	112.6	M125 L126 R127 D131 I132 L133	M125-G129 PolarHBondContact O-N 3.45Å; L126-G129 PolarHBondContact O-N 2.6Å; R127-G129 VanDerWaalsContact C-N 3.26Å; R127-G129 PolarHBondContact O-N 3.16Å; G129-D131 VanDerWaalsContact C-N 3.32Å; G129-D131 PolarHBondContact O-N 2.88Å; G129-I132 WeakPolarHBondContact O-CB 3.2Å; G129-I132 PolarHBondContact O-N 2.96Å; G129-L133 WeakPolarHBondContact O-CG 3.05Å; G129-L133 PolarHBondContact O-N 3.31Å
130	F	98.9	Very high	98.8	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-64.3	-38.3	174	-73.9	-63.4	0	0	0	112.1	L126 R127 I132 L133 L134 L188 A191 R192 L195 C253 L257 F347	L126-F130 WeakPolarHBondContact O-CD2 3.42Å; L126-F130 PolarHBondContact O-N 3.16Å; R127-F130 PolarHBondContact O-N 2.84Å; F130-I132 PolarHBondContact O-N 2.84Å; F130-L133 PolarHBondContact O-N 2.91Å; F130-L133 VanDerWaalsContact O-N 3.11Å; F130-L134 WeakPolarHBondContact O-CB 3.47Å; F130-L134 VanDerWaalsContact O-CG 3.27Å; F130-L134 WeakPolarHBondContact O-CG 3.27Å; F130-L134 PolarHBondContact O-N 2.9Å; F130-L188 HydrophobicContact CD1-CB 4.34Å; F130-L188 HydrophobicContact CD1-CD2 4.47Å; F130-L188 HydrophobicContact CD1-CG 4.06Å; F130-L188 HydrophobicContact CE1-CG 4.04Å; F130-A191 HydrophobicContact CE1-CB 4.26Å; F130-A191 HydrophobicContact CE2-CB 4.17Å; F130-A191 HydrophobicContact CZ-CB 3.8Å; F130-R192 HydrophobicContact CB-CB 3.7Å; F130-R192 HydrophobicContact CB-CG 3.66Å; F130-R192 HydrophobicContact CD2-CB 4.11Å; F130-R192 HydrophobicContact CG-CB 3.98Å; F130-R192 HydrophobicContact CG-CG 4.42Å; F130-L195 HydrophobicContact CD2-CD1 4.29Å; F130-L195 HydrophobicContact CE2-CD1 4.43Å; F130-C253 HydrophobicContact CE2-CB 4.21Å; F130-C253 HydrophobicContact CZ-CB 3.99Å; F130-L257 HydrophobicContact CE1-CD2 4.06Å; F130-L257 HydrophobicContact CE1-CG 4.49Å; F130-F347 HydrophobicContact CD1-CE1 4.02Å; F130-F347 HydrophobicContact CD1-CZ 4.41Å; F130-F347 HydrophobicContact CD2-CE1 4.1Å; F130-F347 HydrophobicContact CD2-CZ 4.05Å; F130-F347 HydrophobicContact CE1-CE1 4.1Å; F130-F347 HydrophobicContact CE1-CZ 4.09Å; F130-F347 HydrophobicContact CE2-CE1 4.18Å; F130-F347 AromaticContact CE2-CZ 3.71Å; F130-F347 HydrophobicContact CE2-CZ 3.71Å; F130-F347 HydrophobicContact CG-CE1 4.01Å; F130-F347 HydrophobicContact CG-CZ 4.38Å; F130-F347 HydrophobicContact CZ-CE1 4.17Å; F130-F347 AromaticContact CZ-CZ 3.73Å; F130-F347 HydrophobicContact CZ-CZ 3.73Å
131	D	98.7	Very high	98.8	Very high	55 Å²	55	12.7 Å²	12.7	29%	0.294	6%	0.063	S	C	.	.	H	α-helix	trans	-64.3	-24.4	177.3	-72.6	-17.6	0	0	0	112.5	R127 D128 G129 P135 R192	R127-D131 PolarHBondContact O-N 2.87Å; D128-D131 PolarHBondContact O-N 3.35Å; G129-D131 VanDerWaalsContact C-N 3.32Å; G129-D131 PolarHBondContact O-N 2.88Å; D131-P135 WeakPolarHBondContact O-CD 3.5Å; D131-R192 IonicContact OD1-CZ 2.73Å; D131-R192 IonicContact OD1-NE 2.77Å; D131-R192 PolarHBondContact OD1-NE 3.38Å; D131-R192 IonicContact OD1-NH2 4Å; D131-R192 PolarHBondContact OD1-NH2 3.16Å; D131-R192 IonicContact OD2-CZ 3.45Å; D131-R192 IonicContact OD2-NE 2.6Å; D131-R192 IonicContact OD2-NH2 2.69Å; D131-R192 PolarHBondContact OD2-NH2 3.41Å
132	I	98.7	Very high	98.8	Very high	38 Å²	38	13.8 Å²	13.8	20%	0.195	7%	0.069	C	C	.	.	H	α-helix	trans	-78.2	-43.7	169.8	-65.2	162.3	0	0	0	111.6	E27 M28 N31 D128 G129 F130	E27-I132 HydrophobicContact CB-CD1 4.31Å; M28-I132 HydrophobicContact CE-CB 3.82Å; M28-I132 HydrophobicContact CE-CD1 4.31Å; M28-I132 HydrophobicContact CE-CG2 3.69Å; M28-I132 HydrophobicContact SD-CD1 4.28Å; N31-I132 HydrophobicContact CB-CD1 4.02Å; D128-I132 VanDerWaalsContact O-CG1 3.32Å; D128-I132 WeakPolarHBondContact O-CG1 3.49Å; D128-I132 PolarHBondContact O-N 3.45Å; G129-I132 WeakPolarHBondContact O-CB 3.2Å; G129-I132 PolarHBondContact O-N 2.96Å; F130-I132 PolarHBondContact O-N 2.84Å
133	L	98.9	Very high	98.8	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-72.2	-40.5	-175.7	-66.7	176.4	0	0	0	113.3	M28 G129 F130 K136 L137 L188 L257 F347 A350 D351 L354	M28-L133 HydrophobicContact CE-CD1 4.43Å; M28-L133 HydrophobicContact CE-CD2 3.7Å; M28-L133 HydrophobicContact CE-CG 3.72Å; G129-L133 WeakPolarHBondContact O-CG 3.05Å; G129-L133 PolarHBondContact O-N 3.31Å; F130-L133 PolarHBondContact O-N 2.91Å; F130-L133 VanDerWaalsContact O-N 3.11Å; L133-K136 WeakPolarHBondContact O-CA 3.34Å; L133-K136 WeakPolarHBondContact O-CB 3.37Å; L133-K136 PolarHBondContact O-N 2.88Å; L133-L137 PolarHBondContact O-N 3.2Å; L133-L188 HydrophobicContact CB-CD2 4.27Å; L133-L257 HydrophobicContact CD1-CD2 3.75Å; L133-F347 HydrophobicContact CD1-CD1 3.68Å; L133-F347 HydrophobicContact CD1-CE1 4.08Å; L133-F347 HydrophobicContact CG-CD1 4.49Å; L133-A350 HydrophobicContact CD1-CB 3.89Å; L133-A350 HydrophobicContact CD2-CB 3.96Å; L133-D351 HydrophobicContact CD2-CB 3.95Å; L133-L354 HydrophobicContact CB-CD1 4.26Å; L133-L354 HydrophobicContact CD2-CD1 4Å
134	L	98.8	Very high	98.8	Very high	11 Å²	11	13.9 Å²	13.9	6%	0.058	7%	0.067	C	C	.	.	H	α-helix	trans	-56.4	-48.4	-173.6	-77.8	168.5	0	0	0	112.9	F130 K136 L137 A138 M185 L188 Q189 R192 F474	F130-L134 WeakPolarHBondContact O-CB 3.47Å; F130-L134 VanDerWaalsContact O-CG 3.27Å; F130-L134 WeakPolarHBondContact O-CG 3.27Å; F130-L134 PolarHBondContact O-N 2.9Å; L134-K136 VanDerWaalsContact C-N 3.32Å; L134-K136 PolarHBondContact O-N 3.37Å; L134-L137 PolarHBondContact O-N 2.93Å; L134-A138 WeakPolarHBondContact O-CB 3.32Å; L134-A138 PolarHBondContact O-N 3.3Å; L134-M185 HydrophobicContact CD2-SD 3.49Å; L134-M185 WeakPolarHBondContact CD2-SD 3.13Å; L134-L188 HydrophobicContact CD2-CB 3.75Å; L134-Q189 HydrophobicContact CD1-CG 4.33Å; L134-Q189 HydrophobicContact CD2-CG 3.59Å; L134-R192 HydrophobicContact CD1-CB 4.38Å; L134-R192 HydrophobicContact CD1-CG 4.29Å; L134-F474 HydrophobicContact CB-CE1 3.81Å; L134-F474 HydrophobicContact CB-CZ 3.92Å
135	P	98.6	Very high	98.7	Very high	11 Å²	11	13.2 Å²	13.2	7%	0.071	6%	0.064	C	C	.	.	H	α-helix	trans	-63.8	-32.3	174.4	-22.5	34	0	0	0	114	D131 A138 R139 F474 K477	D131-P135 WeakPolarHBondContact O-CD 3.5Å; P135-A138 PolarHBondContact O-N 3.32Å; P135-R139 WeakPolarHBondContact O-CG 3.43Å; P135-R139 PolarHBondContact O-N 2.89Å; P135-R139 VanDerWaalsContact O-N 3.09Å; P135-F474 HydrophobicContact CB-CD1 4.37Å; P135-F474 HydrophobicContact CG-CD1 4.24Å; P135-F474 HydrophobicContact CG-CE1 4.31Å; P135-K477 HydrophobicContact CB-CB 4.3Å; P135-K477 HydrophobicContact CB-CD 3.85Å; P135-K477 HydrophobicContact CG-CD 3.7Å
136	K	98.7	Very high	98.7	Very high	10 Å²	10	17.6 Å²	17.6	4%	0.043	8%	0.084	C	C	.	.	H	α-helix	trans	-66.1	-47.4	176.5	-67.9	-176.7	179.1	-159.3	0	110.5	S25 L133 L134 A138 R139 V140 D351 L354 S355	S25-K136 PolarHBondContact OG-NZ 2.97Å; L133-K136 WeakPolarHBondContact O-CA 3.34Å; L133-K136 WeakPolarHBondContact O-CB 3.37Å; L133-K136 PolarHBondContact O-N 2.88Å; L134-K136 VanDerWaalsContact C-N 3.32Å; L134-K136 PolarHBondContact O-N 3.37Å; K136-A138 VanDerWaalsContact C-N 3.32Å; K136-A138 PolarHBondContact O-N 3.3Å; K136-R139 VanDerWaalsContact CG-NH2 3.32Å; K136-R139 PolarHBondContact O-N 3Å; K136-V140 WeakPolarHBondContact O-CG2 3.17Å; K136-V140 PolarHBondContact O-N 3.02Å; K136-V140 VanDerWaalsContact O-N 3.09Å; K136-D351 WeakPolarHBondContact CD-OD1 3.3Å; K136-D351 VanDerWaalsContact CE-OD1 3.23Å; K136-D351 WeakPolarHBondContact CE-OD1 3.47Å; K136-D351 VanDerWaalsContact NZ-CG 3.33Å; K136-D351 IonicContact NZ-OD1 3.49Å; K136-D351 PolarHBondContact NZ-OD1 2.97Å; K136-D351 IonicContact NZ-OD2 3.87Å; K136-D351 PolarHBondContact NZ-OD2 3.09Å; K136-L354 HydrophobicContact CB-CB 4.02Å; K136-L354 HydrophobicContact CB-CD1 4.1Å; K136-S355 PolarHBondContact NZ-OG 3.01Å
137	L	98.9	Very high	98.7	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-61	-41.6	175.3	178.6	57.2	0	0	0	111.7	L133 L134 R139 V140 I141 L181 D184 M185 L188 L260 L354	L133-L137 PolarHBondContact O-N 3.2Å; L134-L137 PolarHBondContact O-N 2.93Å; L137-R139 VanDerWaalsContact C-N 3.32Å; L137-R139 PolarHBondContact O-N 3.3Å; L137-V140 PolarHBondContact O-N 3.33Å; L137-I141 HydrophobicContact CD1-CD1 4.15Å; L137-I141 HydrophobicContact CD1-CG1 4.28Å; L137-I141 HydrophobicContact CG-CD1 4.02Å; L137-I141 WeakPolarHBondContact O-CG1 3.32Å; L137-I141 PolarHBondContact O-N 3.5Å; L137-L181 HydrophobicContact CD1-CB 4.23Å; L137-L181 HydrophobicContact CD1-CD2 3.7Å; L137-D184 HydrophobicContact CD2-CB 4.26Å; L137-M185 HydrophobicContact CB-CE 4.1Å; L137-M185 HydrophobicContact CD2-CB 3.95Å; L137-M185 HydrophobicContact CD2-CE 4.19Å; L137-M185 HydrophobicContact CD2-SD 4.33Å; L137-M185 HydrophobicContact CG-CE 3.9Å; L137-L188 HydrophobicContact CD2-CD2 4.27Å; L137-L260 HydrophobicContact CD1-CD1 4.28Å; L137-L354 HydrophobicContact CB-CD1 4.09Å; L137-L354 HydrophobicContact CB-CD2 4.14Å; L137-L354 HydrophobicContact CD1-CD2 3.9Å
138	A	98.8	Very high	98.7	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-59.2	-42.3	177	0	0	0	0	0	112	L134 P135 K136 I141 D142 M185 L471 F474 M478	L134-A138 WeakPolarHBondContact O-CB 3.32Å; L134-A138 PolarHBondContact O-N 3.3Å; P135-A138 PolarHBondContact O-N 3.32Å; K136-A138 VanDerWaalsContact C-N 3.32Å; K136-A138 PolarHBondContact O-N 3.3Å; A138-I141 PolarHBondContact O-N 2.99Å; A138-D142 WeakPolarHBondContact O-CB 3.44Å; A138-D142 PolarHBondContact O-N 3.36Å; A138-M185 HydrophobicContact CB-CE 3.63Å; A138-L471 HydrophobicContact CB-CD2 4.04Å; A138-L471 VanDerWaalsContact O-CD2 3.24Å; A138-L471 WeakPolarHBondContact O-CD2 3.36Å; A138-F474 HydrophobicContact CB-CB 3.72Å; A138-F474 HydrophobicContact CB-CD1 4.14Å; A138-F474 HydrophobicContact CB-CD2 3.71Å; A138-F474 HydrophobicContact CB-CE2 4.34Å; A138-F474 HydrophobicContact CB-CG 3.59Å; A138-M478 HydrophobicContact CB-CE 4.07Å
139	R	98.7	Very high	98.7	Very high	15 Å²	15	18.1 Å²	18.1	6%	0.057	9%	0.089	C	C	.	.	H	α-helix	trans	-64.8	-42.9	175.4	-74.5	-171.4	-62.6	-90.4	3.4	112.8	P135 K136 L137 I141 D142 R143 Q358 K477 M478 V480	P135-R139 WeakPolarHBondContact O-CG 3.43Å; P135-R139 PolarHBondContact O-N 2.89Å; P135-R139 VanDerWaalsContact O-N 3.09Å; K136-R139 VanDerWaalsContact CG-NH2 3.32Å; K136-R139 PolarHBondContact O-N 3Å; L137-R139 VanDerWaalsContact C-N 3.32Å; L137-R139 PolarHBondContact O-N 3.3Å; R139-I141 VanDerWaalsContact C-N 3.3Å; R139-I141 PolarHBondContact O-N 3.39Å; R139-D142 PolarHBondContact O-N 3.48Å; R139-R143 VanDerWaalsContact O-CG 3.29Å; R139-R143 WeakPolarHBondContact O-CG 3.48Å; R139-R143 PolarHBondContact O-N 3.04Å; R139-Q358 HydrophobicContact CB-CG 4.35Å; R139-K477 WeakPolarHBondContact CD-O 3.43Å; R139-K477 PolarHBondContact NH1-O 3.47Å; R139-M478 HydrophobicContact CG-SD 3.91Å; R139-V480 VanDerWaalsContact CD-O 3.32Å; R139-V480 WeakPolarHBondContact CD-O 3.45Å
140	V	98.8	Very high	98.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-56.2	-48	174.4	175.6	0	0	0	0	110.7	K136 L137 D142 L144 L181 L354 L357 Q358 T361	K136-V140 WeakPolarHBondContact O-CG2 3.17Å; K136-V140 PolarHBondContact O-N 3.02Å; K136-V140 VanDerWaalsContact O-N 3.09Å; L137-V140 PolarHBondContact O-N 3.33Å; V140-D142 VanDerWaalsContact C-N 3.33Å; V140-D142 PolarHBondContact O-N 2.9Å; V140-L144 VanDerWaalsContact O-CB 3.3Å; V140-L144 WeakPolarHBondContact O-CB 3.23Å; V140-L144 PolarHBondContact O-N 3.09Å; V140-L181 HydrophobicContact CG1-CD1 3.81Å; V140-L354 HydrophobicContact CG2-CD2 4.42Å; V140-L357 HydrophobicContact CG1-CD2 3.7Å; V140-L357 HydrophobicContact CG1-CG 3.76Å; V140-L357 HydrophobicContact CG2-CB 4.46Å; V140-L357 HydrophobicContact CG2-CG 4.49Å; V140-Q358 HydrophobicContact CG2-CB 3.81Å; V140-T361 HydrophobicContact CG1-CG2 4.43Å
141	I	98.9	Very high	98.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.5	-44.1	178.2	-68.3	169.4	0	0	0	110.4	L137 A138 R139 L144 A145 L178 L181 M185 I467 L470 L471	L137-I141 HydrophobicContact CD1-CD1 4.15Å; L137-I141 HydrophobicContact CD1-CG1 4.28Å; L137-I141 HydrophobicContact CG-CD1 4.02Å; L137-I141 WeakPolarHBondContact O-CG1 3.32Å; L137-I141 PolarHBondContact O-N 3.5Å; A138-I141 PolarHBondContact O-N 2.99Å; R139-I141 VanDerWaalsContact C-N 3.3Å; R139-I141 PolarHBondContact O-N 3.39Å; I141-L144 PolarHBondContact O-N 2.84Å; I141-A145 VanDerWaalsContact O-CB 3.24Å; I141-A145 WeakPolarHBondContact O-CB 3.16Å; I141-A145 PolarHBondContact O-N 3.19Å; I141-L178 HydrophobicContact CB-CD2 4.4Å; I141-L178 HydrophobicContact CG2-CD2 3.94Å; I141-L178 VanDerWaalsContact O-CD2 3.24Å; I141-L178 WeakPolarHBondContact O-CD2 3.42Å; I141-L181 HydrophobicContact CD1-CB 4.1Å; I141-L181 HydrophobicContact CG1-CB 3.69Å; I141-L181 HydrophobicContact CG1-CD1 4.36Å; I141-M185 HydrophobicContact CD1-CB 4.12Å; I141-M185 HydrophobicContact CD1-CE 4.1Å; I141-I467 HydrophobicContact CG2-CD1 4.41Å; I141-I467 HydrophobicContact CG2-CG2 3.63Å; I141-L470 HydrophobicContact CD1-CD2 4.26Å; I141-L471 HydrophobicContact CB-CD2 4.06Å; I141-L471 HydrophobicContact CG2-CD1 4.25Å; I141-L471 HydrophobicContact CG2-CD2 3.85Å; I141-L471 HydrophobicContact CG2-CG 4.27Å
142	D	98.6	Very high	98.7	Very high	22 Å²	22	26.6 Å²	26.6	12%	0.118	12%	0.122	C	C	.	.	H	α-helix	trans	-62.7	-50.9	-179.7	-177.3	62	0	0	0	112.7	A138 R139 V140 L144 A145 E146 R468 L471 M478	A138-D142 WeakPolarHBondContact O-CB 3.44Å; A138-D142 PolarHBondContact O-N 3.36Å; R139-D142 PolarHBondContact O-N 3.48Å; V140-D142 VanDerWaalsContact C-N 3.33Å; V140-D142 PolarHBondContact O-N 2.9Å; D142-L144 VanDerWaalsContact C-N 3.29Å; D142-L144 PolarHBondContact O-N 2.99Å; D142-A145 WeakPolarHBondContact O-CA 3.44Å; D142-A145 WeakPolarHBondContact O-CB 3.33Å; D142-A145 PolarHBondContact O-N 3.12Å; D142-E146 PolarHBondContact O-N 3.39Å; D142-R468 IonicContact OD1-NH1 3.4Å; D142-R468 PolarHBondContact OD1-NH1 2.99Å; D142-L471 HydrophobicContact CB-CD1 3.9Å; D142-L471 HydrophobicContact CB-CD2 4.47Å; D142-M478 HydrophobicContact CB-SD 4.24Å
143	R	98.3	Very high	98.7	Very high	33 Å²	33	29.3 Å²	29.3	13%	0.125	14%	0.137	C	C	.	.	H	α-helix	trans	-60.5	-40.5	178.4	-61.5	-60.8	-177.2	-93.4	-6	112	R139 A145 E146 F147 E362 M478	R139-R143 VanDerWaalsContact O-CG 3.29Å; R139-R143 WeakPolarHBondContact O-CG 3.48Å; R139-R143 PolarHBondContact O-N 3.04Å; R143-A145 VanDerWaalsContact C-N 3.33Å; R143-E146 PolarHBondContact O-N 2.88Å; R143-F147 PolarHBondContact O-N 3.11Å; R143-E362 HydrophobicContact CB-CG 4.41Å; R143-E362 HydrophobicContact CG-CG 3.66Å; R143-E362 IonicContact CZ-OE1 3.04Å; R143-E362 IonicContact NE-OE1 2.83Å; R143-E362 PolarHBondContact NE-OE1 3.2Å; R143-E362 VanDerWaalsContact NE-OE1 3.15Å; R143-E362 IonicContact NH2-OE1 3.84Å; R143-E362 PolarHBondContact NH2-OE1 3.47Å; R143-M478 PolarHBondContact NH2-O 3.23Å
144	L	98.5	Very high	98.7	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-72.8	-28.6	178.1	-170.8	61.5	0	0	0	112.3	V140 I141 D142 F147 A148 A174 W177 L178 L181 T361	V140-L144 VanDerWaalsContact O-CB 3.3Å; V140-L144 WeakPolarHBondContact O-CB 3.23Å; V140-L144 PolarHBondContact O-N 3.09Å; I141-L144 PolarHBondContact O-N 2.84Å; D142-L144 VanDerWaalsContact C-N 3.29Å; D142-L144 PolarHBondContact O-N 2.99Å; L144-F147 HydrophobicContact CD1-CB 4.41Å; L144-F147 HydrophobicContact CD1-CD1 4.15Å; L144-F147 PolarHBondContact O-N 3.06Å; L144-A148 VanDerWaalsContact O-CB 3.27Å; L144-A148 WeakPolarHBondContact O-CB 3.05Å; L144-A148 PolarHBondContact O-N 3.26Å; L144-A174 HydrophobicContact CD1-CB 4.01Å; L144-A174 HydrophobicContact CG-CB 4.46Å; L144-W177 HydrophobicContact CD1-CE3 3.87Å; L144-W177 HydrophobicContact CD1-CZ3 4.25Å; L144-W177 HydrophobicContact CD2-CB 3.76Å; L144-W177 HydrophobicContact CD2-CE3 4.15Å; L144-L178 HydrophobicContact CB-CD2 3.8Å; L144-L178 HydrophobicContact CB-CG 4.29Å; L144-L178 HydrophobicContact CD2-CD2 4.03Å; L144-L178 HydrophobicContact CD2-CG 3.93Å; L144-L178 HydrophobicContact CG-CD1 4.47Å; L144-L178 HydrophobicContact CG-CD2 3.96Å; L144-L178 HydrophobicContact CG-CG 3.89Å; L144-L181 HydrophobicContact CD2-CD1 4.11Å; L144-T361 HydrophobicContact CB-CG2 4.28Å; L144-T361 HydrophobicContact CD1-CG2 4.27Å
145	A	98.7	Very high	98.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-68.4	-40.7	171.7	0	0	0	0	0	112.2	I141 D142 R143 A148 D149 L178 L463 I467	I141-A145 VanDerWaalsContact O-CB 3.24Å; I141-A145 WeakPolarHBondContact O-CB 3.16Å; I141-A145 PolarHBondContact O-N 3.19Å; D142-A145 WeakPolarHBondContact O-CA 3.44Å; D142-A145 WeakPolarHBondContact O-CB 3.33Å; D142-A145 PolarHBondContact O-N 3.12Å; R143-A145 VanDerWaalsContact C-N 3.33Å; A145-A148 PolarHBondContact O-N 2.96Å; A145-D149 PolarHBondContact O-N 3.38Å; A145-L178 HydrophobicContact CB-CD1 4.25Å; A145-L178 HydrophobicContact CB-CD2 4.38Å; A145-L463 HydrophobicContact CB-CD2 3.79Å; A145-I467 HydrophobicContact CB-CG2 3.96Å
146	E	98.4	Very high	98.7	Very high	105 Å²	105	30.9 Å²	30.9	49%	0.491	15%	0.146	S	C	.	.	H	α-helix	trans	-61.6	-45.7	171.5	-67.5	-178.6	156.4	0	0	111.5	D142 R143 A148 D149 K150	D142-E146 PolarHBondContact O-N 3.39Å; R143-E146 PolarHBondContact O-N 2.88Å; E146-A148 VanDerWaalsContact C-N 3.33Å; E146-A148 PolarHBondContact O-N 3.23Å; E146-D149 PolarHBondContact O-N 3.25Å; E146-K150 VanDerWaalsContact O-CB 3.31Å; E146-K150 WeakPolarHBondContact O-CB 3.37Å; E146-K150 PolarHBondContact O-N 2.96Å
147	F	98.8	Very high	98.7	Very high	15 Å²	15	30.8 Å²	30.8	7%	0.066	15%	0.146	C	C	.	.	H	α-helix	trans	-58.7	-45.2	173.8	179.2	-88.5	0	0	0	111.7	R143 L144 K150 Y151 V170 A174 I280 L364 V366	R143-F147 PolarHBondContact O-N 3.11Å; L144-F147 HydrophobicContact CD1-CB 4.41Å; L144-F147 HydrophobicContact CD1-CD1 4.15Å; L144-F147 PolarHBondContact O-N 3.06Å; F147-K150 PolarHBondContact O-N 3.19Å; F147-Y151 HydrophobicContact CD1-CD2 4.34Å; F147-Y151 AromaticContact CD2-CD2 3.72Å; F147-Y151 HydrophobicContact CD2-CD2 3.72Å; F147-Y151 AromaticContact CD2-CE2 3.69Å; F147-Y151 HydrophobicContact CD2-CE2 3.69Å; F147-Y151 HydrophobicContact CE1-CD2 4.15Å; F147-Y151 AromaticContact CE2-CD2 3.51Å; F147-Y151 HydrophobicContact CE2-CD2 3.51Å; F147-Y151 AromaticContact CE2-CE2 3.44Å; F147-Y151 HydrophobicContact CE2-CE2 3.44Å; F147-Y151 VanDerWaalsContact CE2-CE2 3.44Å; F147-Y151 HydrophobicContact CG-CD2 4.12Å; F147-Y151 AromaticContact CZ-CD2 3.73Å; F147-Y151 HydrophobicContact CZ-CD2 3.73Å; F147-Y151 HydrophobicContact CZ-CE2 4.07Å; F147-Y151 WeakPolarHBondContact O-CD2 3.27Å; F147-Y151 PolarHBondContact O-N 3.37Å; F147-Y151 VanDerWaalsContact O-N 3.12Å; F147-V170 HydrophobicContact CE1-CG1 3.66Å; F147-V170 HydrophobicContact CZ-CG1 3.64Å; F147-A174 HydrophobicContact CD1-CB 3.82Å; F147-A174 HydrophobicContact CE1-CB 4.08Å; F147-I280 HydrophobicContact CZ-CD1 4.17Å; F147-L364 HydrophobicContact CD1-CD1 4.47Å; F147-L364 HydrophobicContact CD2-CB 4.02Å; F147-L364 HydrophobicContact CD2-CD1 4.07Å; F147-L364 HydrophobicContact CE1-CD1 4.41Å; F147-L364 HydrophobicContact CE2-CB 3.71Å; F147-L364 HydrophobicContact CE2-CD1 3.99Å; F147-L364 HydrophobicContact CG-CD1 4.32Å; F147-L364 HydrophobicContact CZ-CB 4.48Å; F147-L364 HydrophobicContact CZ-CD1 4.18Å; F147-V366 HydrophobicContact CE2-CG2 3.53Å; F147-V366 HydrophobicContact CZ-CG2 3.6Å
148	A	98.8	Very high	98.7	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.9	-44.4	-179.9	0	0	0	0	0	112.1	L144 A145 E146 Y151 K152 G171 A174 L178 V459 L463	L144-A148 VanDerWaalsContact O-CB 3.27Å; L144-A148 WeakPolarHBondContact O-CB 3.05Å; L144-A148 PolarHBondContact O-N 3.26Å; A145-A148 PolarHBondContact O-N 2.96Å; E146-A148 VanDerWaalsContact C-N 3.33Å; E146-A148 PolarHBondContact O-N 3.23Å; A148-Y151 PolarHBondContact O-N 3.03Å; A148-K152 WeakPolarHBondContact O-CA 3.45Å; A148-K152 WeakPolarHBondContact O-CB 3.41Å; A148-K152 PolarHBondContact O-N 3.47Å; A148-G171 VanDerWaalsContact O-CA 3.28Å; A148-G171 WeakPolarHBondContact O-CA 3.29Å; A148-A174 HydrophobicContact CB-CB 3.95Å; A148-L178 HydrophobicContact CB-CD1 3.92Å; A148-V459 HydrophobicContact CB-CG1 4.41Å; A148-L463 HydrophobicContact CB-CD1 4.49Å
149	D	98.8	Very high	98.7	Very high	64 Å²	64	34 Å²	34	34%	0.342	16%	0.162	S	C	.	.	H	α-helix	trans	-67.5	-42.4	178.2	-168.5	48.1	0	0	0	111.7	A145 E146 Y151 K152 L463	A145-D149 PolarHBondContact O-N 3.38Å; E146-D149 PolarHBondContact O-N 3.25Å; D149-Y151 VanDerWaalsContact C-N 3.28Å; D149-Y151 PolarHBondContact O-N 2.83Å; D149-K152 WeakPolarHBondContact O-CD 3.46Å; D149-K152 VanDerWaalsContact O-CG 3.3Å; D149-K152 WeakPolarHBondContact O-CG 3.31Å; D149-K152 PolarHBondContact O-N 2.87Å; D149-K152 WeakPolarHBondContact OD1-CD 3.32Å; D149-K152 IonicContact OD1-NZ 3.82Å; D149-K152 PolarHBondContact OD1-NZ 2.86Å; D149-L463 HydrophobicContact CB-CD1 3.72Å
150	K	98.8	Very high	98.6	Very high	149 Å²	149	37.3 Å²	37.3	65%	0.648	18%	0.184	S	C	*	.	H	α-helix	trans	-57.4	-39.8	177.3	-179.5	-178.3	177.6	-169.3	0	112.7	E146 F147	E146-K150 VanDerWaalsContact O-CB 3.31Å; E146-K150 WeakPolarHBondContact O-CB 3.37Å; E146-K150 PolarHBondContact O-N 2.96Å; F147-K150 PolarHBondContact O-N 3.19Å
151	Y	98.8	Very high	98.6	Very high	36 Å²	36	46 Å²	46	14%	0.141	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	19.2	-175.3	-64.8	-71.2	0	0	0	113.7	F147 A148 D149 D153 L154 V170 G171 V366	F147-Y151 HydrophobicContact CD1-CD2 4.34Å; F147-Y151 AromaticContact CD2-CD2 3.72Å; F147-Y151 HydrophobicContact CD2-CD2 3.72Å; F147-Y151 AromaticContact CD2-CE2 3.69Å; F147-Y151 HydrophobicContact CD2-CE2 3.69Å; F147-Y151 HydrophobicContact CE1-CD2 4.15Å; F147-Y151 AromaticContact CE2-CD2 3.51Å; F147-Y151 HydrophobicContact CE2-CD2 3.51Å; F147-Y151 AromaticContact CE2-CE2 3.44Å; F147-Y151 HydrophobicContact CE2-CE2 3.44Å; F147-Y151 VanDerWaalsContact CE2-CE2 3.44Å; F147-Y151 HydrophobicContact CG-CD2 4.12Å; F147-Y151 AromaticContact CZ-CD2 3.73Å; F147-Y151 HydrophobicContact CZ-CD2 3.73Å; F147-Y151 HydrophobicContact CZ-CE2 4.07Å; F147-Y151 WeakPolarHBondContact O-CD2 3.27Å; F147-Y151 PolarHBondContact O-N 3.37Å; F147-Y151 VanDerWaalsContact O-N 3.12Å; A148-Y151 PolarHBondContact O-N 3.03Å; D149-Y151 VanDerWaalsContact C-N 3.28Å; D149-Y151 PolarHBondContact O-N 2.83Å; Y151-D153 PolarHBondContact O-N 2.98Å; Y151-L154 HydrophobicContact CD1-CB 4.32Å; Y151-L154 HydrophobicContact CD1-CD2 3.65Å; Y151-L154 HydrophobicContact CE1-CD2 4.19Å; Y151-L154 PolarHBondContact O-N 3.47Å; Y151-V170 HydrophobicContact CD2-CG1 4.46Å; Y151-V170 HydrophobicContact CG-CG1 4.11Å; Y151-G171 PolarHBondContact O-N 3.28Å; Y151-V366 HydrophobicContact CD2-CG2 4.14Å; Y151-V366 HydrophobicContact CE1-CB 3.98Å; Y151-V366 HydrophobicContact CE1-CG1 4.18Å; Y151-V366 HydrophobicContact CE1-CG2 4.04Å; Y151-V366 HydrophobicContact CE2-CB 4.41Å; Y151-V366 HydrophobicContact CE2-CG2 3.65Å
152	K	98.8	Very high	98.5	Very high	48 Å²	48	50.4 Å²	50.4	21%	0.209	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-28.3	-176.4	72.1	-172.9	164.7	-163.7	0	114.1	A148 D149 T169 P456 V459	A148-K152 WeakPolarHBondContact O-CA 3.45Å; A148-K152 WeakPolarHBondContact O-CB 3.41Å; A148-K152 PolarHBondContact O-N 3.47Å; D149-K152 WeakPolarHBondContact O-CD 3.46Å; D149-K152 VanDerWaalsContact O-CG 3.3Å; D149-K152 WeakPolarHBondContact O-CG 3.31Å; D149-K152 PolarHBondContact O-N 2.87Å; D149-K152 WeakPolarHBondContact OD1-CD 3.32Å; D149-K152 IonicContact OD1-NZ 3.82Å; D149-K152 PolarHBondContact OD1-NZ 2.86Å; K152-T169 WeakPolarHBondContact O-CB 2.97Å; K152-T169 WeakPolarHBondContact O-CG2 3.23Å; K152-T169 PolarHBondContact O-OG1 3.04Å; K152-P456 HydrophobicContact CG-CB 4.41Å; K152-V459 HydrophobicContact CB-CB 3.9Å; K152-V459 HydrophobicContact CB-CG1 3.71Å; K152-V459 HydrophobicContact CB-CG2 4.1Å
153	D	98.7	Very high	98.5	Very high	95 Å²	95	55.3 Å²	55.3	51%	0.508	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-9	-178.6	-61.3	-63.7	0	0	0	113.4	Y151 P155 P456	Y151-D153 PolarHBondContact O-N 2.98Å; D153-P155 WeakPolarHBondContact O-CD 3.37Å; D153-P456 WeakPolarHBondContact OD1-CB 3.39Å; D153-P456 VanDerWaalsContact OD1-CG 3.25Å; D153-P456 WeakPolarHBondContact OD1-CG 3.43Å
154	L	98.8	Very high	98.4	Very high	34 Å²	34	56.1 Å²	56.1	18%	0.178	27%	0.273	C	S	.	.			trans	-78.4	109.5	-175.9	175.3	64.3	0	0	0	110.5	Y151 T169 V170 V366 P368 I371	Y151-L154 HydrophobicContact CD1-CB 4.32Å; Y151-L154 HydrophobicContact CD1-CD2 3.65Å; Y151-L154 HydrophobicContact CE1-CD2 4.19Å; Y151-L154 PolarHBondContact O-N 3.47Å; L154-T169 CarbonylContact O-C 3.59Å; L154-T169 WeakPolarHBondContact O-CA 3.09Å; L154-T169 VanDerWaalsContact O-CB 3.23Å; L154-T169 WeakPolarHBondContact O-CB 3.1Å; L154-V170 HydrophobicContact CD2-CB 4.25Å; L154-V170 HydrophobicContact CD2-CG2 3.77Å; L154-V170 HydrophobicContact CG-CG2 4.06Å; L154-V170 PolarHBondContact O-N 2.97Å; L154-V366 HydrophobicContact CD2-CG1 3.75Å; L154-P368 HydrophobicContact CD1-CB 4.27Å; L154-P368 HydrophobicContact CD2-CG 4.37Å; L154-I371 HydrophobicContact CD2-CD1 4.16Å
155	P	98.8	Very high	98.2	Very high	22 Å²	22	57.1 Å²	57.1	14%	0.143	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	144.2	179	-21	36.7	0	0	0	111.2	D153 L167 T168 I371 I375 P448 I452	D153-P155 WeakPolarHBondContact O-CD 3.37Å; P155-L167 HydrophobicContact CB-CD1 4.29Å; P155-T168 CarbonylContact C-O 3.47Å; P155-T168 WeakPolarHBondContact CA-O 3.26Å; P155-I371 WeakPolarHBondContact O-CG2 3.37Å; P155-I375 HydrophobicContact CB-CD1 3.94Å; P155-P448 HydrophobicContact CB-CB 3.98Å; P155-P448 HydrophobicContact CG-CB 4.06Å; P155-I452 HydrophobicContact CB-CG2 3.69Å; P155-I452 HydrophobicContact CG-CG2 4.01Å
156	T	98.9	Very high	98.1	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	152.8	172.2	177.2	0	0	0	0	108.8	G158 T168 V170 R173 E279	T156-G158 PolarHBondContact O-N 3.29Å; T156-T168 HydrophobicContact CG2-CG2 3.7Å; T156-T168 PolarHBondContact N-O 3.38Å; T156-T168 PolarHBondContact O-N 2.88Å; T156-T168 VanDerWaalsContact O-O 3.12Å; T156-V170 HydrophobicContact CG2-CG2 3.9Å; T156-R173 PolarHBondContact OG1-NH1 3.09Å; T156-R173 VanDerWaalsContact OG1-NH1 3.13Å; T156-E279 PolarHBondContact OG1-OE2 3.47Å; T156-E279 VanDerWaalsContact OG1-OE2 3.13Å
157	L	98.6	Very high	98.1	Very high	7 Å²	7	58.4 Å²	58.4	4%	0.037	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	128.4	177.5	-173.2	60.2	0	0	0	110.2	F159 P164 L167 R173 E378 M382	L157-F159 HydrophobicContact CB-CE2 4.26Å; L157-F159 HydrophobicContact CB-CZ 4.19Å; L157-F159 HydrophobicContact CD2-CE1 3.76Å; L157-F159 HydrophobicContact CD2-CZ 3.66Å; L157-F159 HydrophobicContact CG-CE1 4.2Å; L157-F159 HydrophobicContact CG-CE2 4.43Å; L157-F159 HydrophobicContact CG-CZ 4.02Å; L157-P164 HydrophobicContact CD1-CB 4.04Å; L157-P164 HydrophobicContact CD2-CB 3.89Å; L157-P164 HydrophobicContact CD2-CG 4.04Å; L157-P164 HydrophobicContact CG-CB 4.33Å; L157-L167 HydrophobicContact CD1-CD2 4.03Å; L157-R173 PolarHBondContact O-NH2 3.45Å; L157-E378 HydrophobicContact CD1-CB 4.05Å; L157-E378 HydrophobicContact CD1-CG 4.4Å; L157-E378 HydrophobicContact CD2-CB 4.48Å; L157-E378 HydrophobicContact CD2-CG 3.93Å; L157-M382 HydrophobicContact CD1-CE 3.47Å; L157-M382 VanDerWaalsContact CD1-CE 3.47Å; L157-M382 HydrophobicContact CD1-SD 4.44Å
158	G	98.5	Very high	98.1	Very high	6 Å²	6	59.2 Å²	59.2	6%	0.062	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	151.7	171.1	0	0	0	0	0	110.7	T156 A165 Q166	T156-G158 PolarHBondContact O-N 3.29Å; G158-A165 PolarHBondContact N-O 3.29Å; G158-A165 PolarHBondContact O-N 3.23Å; G158-Q166 VanDerWaalsContact CA-O 3.31Å; G158-Q166 WeakPolarHBondContact CA-O 3.36Å; G158-Q166 PolarHBondContact N-O 3.18Å
159	F	98.6	Very high	98.1	Very high	61 Å²	61	59.2 Å²	59.2	27%	0.268	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	123.8	179	-69.9	-72.7	0	0	0	111.5	L157 Y162 Q163 L277	L157-F159 HydrophobicContact CB-CE2 4.26Å; L157-F159 HydrophobicContact CB-CZ 4.19Å; L157-F159 HydrophobicContact CD2-CE1 3.76Å; L157-F159 HydrophobicContact CD2-CZ 3.66Å; L157-F159 HydrophobicContact CG-CE1 4.2Å; L157-F159 HydrophobicContact CG-CE2 4.43Å; L157-F159 HydrophobicContact CG-CZ 4.02Å; F159-Y162 HydrophobicContact CD1-CD2 4.16Å; F159-Y162 HydrophobicContact CG-CD2 4.27Å; F159-Q163 WeakPolarHBondContact CA-O 3.27Å; F159-L277 HydrophobicContact CE2-CD1 3.81Å; F159-L277 HydrophobicContact CZ-CD1 3.75Å
160	T	97.5	Very high	98.1	Very high	85 Å²	85	56.3 Å²	56.3	52%	0.521	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	131.8	166.2	56.4	0	0	0	0	107.5	Y162 Q163 A165	T160-Y162 PolarHBondContact O-N 2.74Å; T160-Q163 PolarHBondContact N-O 2.92Å; T160-Q163 PolarHBondContact O-N 3Å; T160-A165 HydrophobicContact CG2-CB 4.39Å
161	H	97.4	Very high	98.1	Very high	183 Å²	183	49.2 Å²	49.2	85%	0.847	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	57	23	-167.8	-48.7	-84.8	0	0	0	113.8	Q163	H161-Q163 PolarHBondContact O-N 3.26Å; H161-Q163 VanDerWaalsContact O-N 3.16Å
162	Y	97.8	Very high	98.1	Very high	93 Å²	93	49.5 Å²	49.5	37%	0.365	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	28.5	-169.9	-160	-127	0	0	0	113.5	F159 T160 L273 L277	F159-Y162 HydrophobicContact CD1-CD2 4.16Å; F159-Y162 HydrophobicContact CG-CD2 4.27Å; T160-Y162 PolarHBondContact O-N 2.74Å; Y162-L273 HydrophobicContact CD2-CD1 4.38Å; Y162-L273 HydrophobicContact CE1-CD2 4.37Å; Y162-L273 HydrophobicContact CE2-CB 4.13Å; Y162-L273 HydrophobicContact CE2-CD1 4.2Å; Y162-L273 HydrophobicContact CE2-CD2 4.37Å; Y162-L273 HydrophobicContact CE2-CG 4.47Å; Y162-L277 HydrophobicContact CE2-CD1 4.4Å
163	Q	97.4	Very high	98.1	Very high	125 Å²	125	48.3 Å²	48.3	58%	0.584	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-104.5	148.7	169	-66.5	-62.9	-67.9	0	0	110	F159 T160 H161 A165	F159-Q163 WeakPolarHBondContact CA-O 3.27Å; T160-Q163 PolarHBondContact N-O 2.92Å; T160-Q163 PolarHBondContact O-N 3Å; H161-Q163 PolarHBondContact O-N 3.26Å; H161-Q163 VanDerWaalsContact O-N 3.16Å; Q163-A165 PolarHBondContact O-N 2.95Å
164	P	97.1	Very high	98.1	Very high	49 Å²	49	43.8 Å²	43.8	32%	0.318	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-48.2	128.1	172.1	-28.6	35.8	0	0	0	112.1	L157 E378	L157-P164 HydrophobicContact CD1-CB 4.04Å; L157-P164 HydrophobicContact CD2-CB 3.89Å; L157-P164 HydrophobicContact CD2-CG 4.04Å; L157-P164 HydrophobicContact CG-CB 4.33Å; P164-E378 HydrophobicContact CB-CB 4.21Å; P164-E378 HydrophobicContact CB-CG 3.88Å; P164-E378 HydrophobicContact CG-CG 3.87Å
165	A	95.2	Very high	98.1	Very high	22 Å²	22	42.3 Å²	42.3	18%	0.182	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	176.5	177.3	0	0	0	0	0	110.3	G158 T160 Q163 L167 M382	G158-A165 PolarHBondContact N-O 3.29Å; G158-A165 PolarHBondContact O-N 3.23Å; T160-A165 HydrophobicContact CG2-CB 4.39Å; Q163-A165 PolarHBondContact O-N 2.95Å; A165-L167 PolarHBondContact O-N 3.3Å; A165-M382 VanDerWaalsContact C-SD 3.51Å
166	Q	95.2	Very high	98.1	Very high	121 Å²	121	45.6 Å²	45.6	57%	0.565	23%	0.228	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-44	139.6	177.8	-71.9	-64.9	-18	0	0	112.1	G158	G158-Q166 VanDerWaalsContact CA-O 3.31Å; G158-Q166 WeakPolarHBondContact CA-O 3.36Å; G158-Q166 PolarHBondContact N-O 3.18Å
167	L	98.4	Very high	98.1	Very high	12 Å²	12	45.7 Å²	45.7	6%	0.063	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	148.6	-174.8	-58	-167	0	0	0	111.5	P155 L157 A165 I375 L379 M382 P448 F451 I452	P155-L167 HydrophobicContact CB-CD1 4.29Å; L157-L167 HydrophobicContact CD1-CD2 4.03Å; A165-L167 PolarHBondContact O-N 3.3Å; L167-I375 HydrophobicContact CD1-CD1 4.33Å; L167-I375 HydrophobicContact CD1-CG1 4.5Å; L167-I375 HydrophobicContact CD1-CG2 3.94Å; L167-I375 HydrophobicContact CD2-CG1 4.12Å; L167-I375 HydrophobicContact CD2-CG2 4.33Å; L167-L379 HydrophobicContact CD1-CD1 4.04Å; L167-L379 HydrophobicContact CG-CD1 4.23Å; L167-M382 HydrophobicContact CD2-CE 3.87Å; L167-M382 HydrophobicContact CD2-SD 4.47Å; L167-P448 HydrophobicContact CD1-CB 3.83Å; L167-F451 HydrophobicContact CB-CB 4.06Å; L167-F451 HydrophobicContact CD1-CB 3.81Å; L167-F451 HydrophobicContact CG-CB 3.87Å; L167-I452 HydrophobicContact CB-CG2 3.93Å
168	T	98.8	Very high	98.1	Very high	31 Å²	31	45.4 Å²	45.4	19%	0.19	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	-168.7	166.7	-170.4	0	0	0	0	108.1	P155 T156 I452	P155-T168 CarbonylContact C-O 3.47Å; P155-T168 WeakPolarHBondContact CA-O 3.26Å; T156-T168 HydrophobicContact CG2-CG2 3.7Å; T156-T168 PolarHBondContact N-O 3.38Å; T156-T168 PolarHBondContact O-N 2.88Å; T156-T168 VanDerWaalsContact O-O 3.12Å; T168-I452 WeakPolarHBondContact O-CG2 3.11Å
169	T	98.9	Very high	98.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	154.6	168.7	67.6	0	0	0	0	111.6	K152 L154 G171 K172 R173 I452 A455	K152-T169 WeakPolarHBondContact O-CB 2.97Å; K152-T169 WeakPolarHBondContact O-CG2 3.23Å; K152-T169 PolarHBondContact O-OG1 3.04Å; L154-T169 CarbonylContact O-C 3.59Å; L154-T169 WeakPolarHBondContact O-CA 3.09Å; L154-T169 VanDerWaalsContact O-CB 3.23Å; L154-T169 WeakPolarHBondContact O-CB 3.1Å; T169-G171 PolarHBondContact O-N 3.45Å; T169-K172 PolarHBondContact O-N 3.45Å; T169-K172 VanDerWaalsContact O-N 3.1Å; T169-K172 VanDerWaalsContact OG1-CB 3.24Å; T169-K172 WeakPolarHBondContact OG1-CB 3.09Å; T169-K172 PolarHBondContact OG1-N 3.3Å; T169-K172 VanDerWaalsContact OG1-N 3.11Å; T169-R173 PolarHBondContact O-N 2.9Å; T169-I452 HydrophobicContact CG2-CB 3.85Å; T169-I452 HydrophobicContact CG2-CD1 3.59Å; T169-I452 HydrophobicContact CG2-CG1 4.3Å; T169-I452 HydrophobicContact CG2-CG2 3.84Å; T169-A455 HydrophobicContact CG2-CB 3.81Å
170	V	98.9	Very high	98.2	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.018	24%	0.236	C	C	.	.	H	α-helix	trans	-56.2	-43.3	176.8	169.5	0	0	0	0	110.1	F147 Y151 L154 T156 R173 A174 I280 V366 I371	F147-V170 HydrophobicContact CE1-CG1 3.66Å; F147-V170 HydrophobicContact CZ-CG1 3.64Å; Y151-V170 HydrophobicContact CD2-CG1 4.46Å; Y151-V170 HydrophobicContact CG-CG1 4.11Å; L154-V170 HydrophobicContact CD2-CB 4.25Å; L154-V170 HydrophobicContact CD2-CG2 3.77Å; L154-V170 HydrophobicContact CG-CG2 4.06Å; L154-V170 PolarHBondContact O-N 2.97Å; T156-V170 HydrophobicContact CG2-CG2 3.9Å; V170-R173 PolarHBondContact O-N 2.98Å; V170-A174 PolarHBondContact O-N 3.46Å; V170-I280 HydrophobicContact CG1-CD1 3.99Å; V170-V366 HydrophobicContact CG1-CG2 4.5Å; V170-I371 HydrophobicContact CG2-CD1 4.02Å
171	G	98.8	Very high	98.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-66.1	-37.5	175.7	0	0	0	0	0	113.9	A148 Y151 T169 R173 A174 C175	A148-G171 VanDerWaalsContact O-CA 3.28Å; A148-G171 WeakPolarHBondContact O-CA 3.29Å; Y151-G171 PolarHBondContact O-N 3.28Å; T169-G171 PolarHBondContact O-N 3.45Å; G171-R173 VanDerWaalsContact C-N 3.35Å; G171-R173 PolarHBondContact O-N 2.7Å; G171-A174 PolarHBondContact O-N 2.84Å; G171-C175 PolarHBondContact O-N 3.43Å; G171-C175 PolarHBondContact O-SG 3.3Å
172	K	98.9	Very high	98.3	Very high	42 Å²	42	34.5 Å²	34.5	18%	0.183	17%	0.172	C	C	.	.	H	α-helix	trans	-67.7	-34.2	176.2	179.6	67	-162.9	90.7	0	112.7	T169 C175 A455 Q458 V459	T169-K172 PolarHBondContact O-N 3.45Å; T169-K172 VanDerWaalsContact O-N 3.1Å; T169-K172 VanDerWaalsContact OG1-CB 3.24Å; T169-K172 WeakPolarHBondContact OG1-CB 3.09Å; T169-K172 PolarHBondContact OG1-N 3.3Å; T169-K172 VanDerWaalsContact OG1-N 3.11Å; K172-C175 WeakPolarHBondContact O-CB 3.37Å; K172-C175 PolarHBondContact O-N 3.29Å; K172-A455 HydrophobicContact CB-CB 3.84Å; K172-A455 HydrophobicContact CG-CB 3.99Å; K172-Q458 HydrophobicContact CD-CB 4.06Å; K172-V459 HydrophobicContact CB-CG2 3.93Å; K172-V459 HydrophobicContact CD-CG2 4.24Å
173	R	98.9	Very high	98.4	Very high	23 Å²	23	34 Å²	34	9%	0.087	17%	0.174	C	C	.	.	H	α-helix	trans	-63.5	-46.5	170.7	178.7	176.9	-69.4	139.4	3.9	110.8	T156 L157 T169 V170 G171 C175 L176 W177	T156-R173 PolarHBondContact OG1-NH1 3.09Å; T156-R173 VanDerWaalsContact OG1-NH1 3.13Å; L157-R173 PolarHBondContact O-NH2 3.45Å; T169-R173 PolarHBondContact O-N 2.9Å; V170-R173 PolarHBondContact O-N 2.98Å; G171-R173 VanDerWaalsContact C-N 3.35Å; G171-R173 PolarHBondContact O-N 2.7Å; R173-C175 PolarHBondContact O-N 3.43Å; R173-L176 VanDerWaalsContact O-CB 3.29Å; R173-L176 WeakPolarHBondContact O-CB 3.09Å; R173-L176 PolarHBondContact O-N 2.95Å; R173-W177 HydrophobicContact CG-CH2 4.49Å; R173-W177 HydrophobicContact CG-CZ2 3.9Å
174	A	98.8	Very high	98.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-59.5	-30.9	175.1	0	0	0	0	0	112.9	L144 F147 A148 V170 G171 L176 W177 L178	L144-A174 HydrophobicContact CD1-CB 4.01Å; L144-A174 HydrophobicContact CG-CB 4.46Å; F147-A174 HydrophobicContact CD1-CB 3.82Å; F147-A174 HydrophobicContact CE1-CB 4.08Å; A148-A174 HydrophobicContact CB-CB 3.95Å; V170-A174 PolarHBondContact O-N 3.46Å; G171-A174 PolarHBondContact O-N 2.84Å; A174-L176 VanDerWaalsContact C-N 3.26Å; A174-L176 PolarHBondContact O-N 3.49Å; A174-W177 HydrophobicContact CB-CE3 4.13Å; A174-W177 HydrophobicContact CB-CZ3 4.29Å; A174-W177 WeakPolarHBondContact O-CB 3.35Å; A174-W177 PolarHBondContact O-N 3.32Å; A174-W177 VanDerWaalsContact O-N 3.16Å; A174-L178 PolarHBondContact O-N 3.14Å
175	C	98.9	Very high	98.5	Very high	4 Å²	4	25.8 Å²	25.8	3%	0.027	13%	0.131	C	C	.	.	H	α-helix	trans	-64.7	-26	173.3	-68.2	0	0	0	0	114	G171 K172 R173 W177 Q179 F462	G171-C175 PolarHBondContact O-N 3.43Å; G171-C175 PolarHBondContact O-SG 3.3Å; K172-C175 WeakPolarHBondContact O-CB 3.37Å; K172-C175 PolarHBondContact O-N 3.29Å; R173-C175 PolarHBondContact O-N 3.43Å; C175-W177 VanDerWaalsContact C-N 3.32Å; C175-Q179 PolarHBondContact O-N 2.89Å; C175-F462 HydrophobicContact CB-CD1 3.96Å; C175-F462 HydrophobicContact CB-CE1 4.18Å
176	L	98.9	Very high	98.7	Very high	91 Å²	91	30 Å²	30	48%	0.476	14%	0.142	S	C	.	.	H	α-helix	trans	-64.9	-41.9	173	-58.8	175.8	0	0	0	110.5	R173 A174 Q179	R173-L176 VanDerWaalsContact O-CB 3.29Å; R173-L176 WeakPolarHBondContact O-CB 3.09Å; R173-L176 PolarHBondContact O-N 2.95Å; A174-L176 VanDerWaalsContact C-N 3.26Å; A174-L176 PolarHBondContact O-N 3.49Å; L176-Q179 PolarHBondContact O-N 3.03Å
177	W	98.9	Very high	98.8	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.008	13%	0.125	C	C	.	.	H	α-helix	trans	-67.5	-41.9	176.9	-54	-22.8	0	0	0	111.9	L144 R173 A174 C175 Q179 D180 L181 I267 D270 I271 L274	L144-W177 HydrophobicContact CD1-CE3 3.87Å; L144-W177 HydrophobicContact CD1-CZ3 4.25Å; L144-W177 HydrophobicContact CD2-CB 3.76Å; L144-W177 HydrophobicContact CD2-CE3 4.15Å; R173-W177 HydrophobicContact CG-CH2 4.49Å; R173-W177 HydrophobicContact CG-CZ2 3.9Å; A174-W177 HydrophobicContact CB-CE3 4.13Å; A174-W177 HydrophobicContact CB-CZ3 4.29Å; A174-W177 WeakPolarHBondContact O-CB 3.35Å; A174-W177 PolarHBondContact O-N 3.32Å; A174-W177 VanDerWaalsContact O-N 3.16Å; C175-W177 VanDerWaalsContact C-N 3.32Å; W177-Q179 VanDerWaalsContact C-N 3.33Å; W177-Q179 PolarHBondContact O-N 3.49Å; W177-D180 PolarHBondContact O-N 3.43Å; W177-L181 WeakPolarHBondContact O-CG 3.24Å; W177-L181 PolarHBondContact O-N 3.04Å; W177-L181 VanDerWaalsContact O-N 3.16Å; W177-I267 HydrophobicContact CB-CD1 3.77Å; W177-I267 HydrophobicContact CB-CG1 3.65Å; W177-I267 HydrophobicContact CB-CG2 4.42Å; W177-I267 HydrophobicContact CD2-CG2 4.06Å; W177-I267 HydrophobicContact CE3-CG2 4.24Å; W177-I267 HydrophobicContact CG-CB 4.36Å; W177-I267 HydrophobicContact CG-CD1 4.38Å; W177-I267 HydrophobicContact CG-CG1 3.72Å; W177-I267 HydrophobicContact CG-CG2 4.12Å; W177-D270 HydrophobicContact CZ2-CB 3.77Å; W177-D270 PolarHBondContact NE1-OD2 3.01Å; W177-I271 HydrophobicContact CH2-CG1 4.21Å; W177-L274 HydrophobicContact CH2-CD1 4.13Å; W177-L274 HydrophobicContact CZ2-CD1 4.21Å
178	L	98.8	Very high	98.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-61.8	-38.7	176.1	-76.9	168.8	0	0	0	112.9	I141 L144 A145 A148 A174 D180 L181 A182 F462 L463 I467	I141-L178 HydrophobicContact CB-CD2 4.4Å; I141-L178 HydrophobicContact CG2-CD2 3.94Å; I141-L178 VanDerWaalsContact O-CD2 3.24Å; I141-L178 WeakPolarHBondContact O-CD2 3.42Å; L144-L178 HydrophobicContact CB-CD2 3.8Å; L144-L178 HydrophobicContact CB-CG 4.29Å; L144-L178 HydrophobicContact CD2-CD2 4.03Å; L144-L178 HydrophobicContact CD2-CG 3.93Å; L144-L178 HydrophobicContact CG-CD1 4.47Å; L144-L178 HydrophobicContact CG-CD2 3.96Å; L144-L178 HydrophobicContact CG-CG 3.89Å; A145-L178 HydrophobicContact CB-CD1 4.25Å; A145-L178 HydrophobicContact CB-CD2 4.38Å; A148-L178 HydrophobicContact CB-CD1 3.92Å; A174-L178 PolarHBondContact O-N 3.14Å; L178-D180 VanDerWaalsContact C-N 3.34Å; L178-D180 PolarHBondContact O-N 2.89Å; L178-L181 PolarHBondContact O-N 3.48Å; L178-A182 WeakPolarHBondContact O-CB 3.49Å; L178-A182 PolarHBondContact O-N 3.44Å; L178-F462 HydrophobicContact CB-CE1 3.76Å; L178-F462 HydrophobicContact CB-CZ 4.3Å; L178-F462 HydrophobicContact CD1-CE1 4.47Å; L178-L463 HydrophobicContact CD1-CD2 3.78Å; L178-I467 HydrophobicContact CB-CD1 4.28Å
179	Q	98.9	Very high	98.8	Very high	56 Å²	56	26.4 Å²	26.4	26%	0.262	12%	0.124	S	C	.	.	H	α-helix	trans	-57.4	-49.1	178.1	-174	78.4	44.1	0	0	111.1	C175 L176 W177 A182 M183 F462 E466	C175-Q179 PolarHBondContact O-N 2.89Å; L176-Q179 PolarHBondContact O-N 3.03Å; W177-Q179 VanDerWaalsContact C-N 3.33Å; W177-Q179 PolarHBondContact O-N 3.49Å; Q179-A182 PolarHBondContact O-N 3.26Å; Q179-M183 HydrophobicContact CG-CE 4.01Å; Q179-M183 WeakPolarHBondContact O-CG 3.15Å; Q179-M183 PolarHBondContact O-N 3.04Å; Q179-F462 HydrophobicContact CB-CZ 4.14Å; Q179-E466 PolarHBondContact NE2-OE2 2.94Å
180	D	98.9	Very high	98.8	Very high	50 Å²	50	33.3 Å²	33.3	27%	0.267	15%	0.15	S	C	.	.	H	α-helix	trans	-65.3	-44.5	-179	-67.7	-8.4	0	0	0	110.7	W177 L178 A182 M183 D184 T263	W177-D180 PolarHBondContact O-N 3.43Å; L178-D180 VanDerWaalsContact C-N 3.34Å; L178-D180 PolarHBondContact O-N 2.89Å; D180-A182 VanDerWaalsContact C-N 3.29Å; D180-A182 PolarHBondContact O-N 3.01Å; D180-M183 WeakPolarHBondContact O-CA 3.27Å; D180-M183 VanDerWaalsContact O-CB 3.32Å; D180-M183 WeakPolarHBondContact O-CB 3.4Å; D180-M183 PolarHBondContact O-N 3.45Å; D180-D184 PolarHBondContact O-N 2.9Å; D180-T263 HydrophobicContact CB-CG2 3.5Å; D180-T263 VanDerWaalsContact CB-CG2 3.5Å
181	L	98.9	Very high	98.8	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.5	-34.1	175.9	-67.5	169.4	0	0	0	112.7	L137 V140 I141 L144 W177 L178 M183 D184 M185 L260 T263 I267	L137-L181 HydrophobicContact CD1-CB 4.23Å; L137-L181 HydrophobicContact CD1-CD2 3.7Å; V140-L181 HydrophobicContact CG1-CD1 3.81Å; I141-L181 HydrophobicContact CD1-CB 4.1Å; I141-L181 HydrophobicContact CG1-CB 3.69Å; I141-L181 HydrophobicContact CG1-CD1 4.36Å; L144-L181 HydrophobicContact CD2-CD1 4.11Å; W177-L181 WeakPolarHBondContact O-CG 3.24Å; W177-L181 PolarHBondContact O-N 3.04Å; W177-L181 VanDerWaalsContact O-N 3.16Å; L178-L181 PolarHBondContact O-N 3.48Å; L181-M183 VanDerWaalsContact C-N 3.35Å; L181-D184 PolarHBondContact O-N 2.96Å; L181-M185 PolarHBondContact O-N 3.39Å; L181-L260 HydrophobicContact CD2-CD1 4.2Å; L181-T263 HydrophobicContact CD2-CG2 3.68Å; L181-T263 HydrophobicContact CG-CG2 3.89Å; L181-I267 HydrophobicContact CD1-CD1 3.9Å; L181-I267 HydrophobicContact CD2-CD1 4.18Å; L181-I267 HydrophobicContact CG-CD1 3.9Å
182	A	98.8	Very high	98.8	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.008	17%	0.166	C	C	.	.	H	α-helix	trans	-68.5	-33.6	174	0	0	0	0	0	112.1	L178 Q179 D180 R186 I467 L470	L178-A182 WeakPolarHBondContact O-CB 3.49Å; L178-A182 PolarHBondContact O-N 3.44Å; Q179-A182 PolarHBondContact O-N 3.26Å; D180-A182 VanDerWaalsContact C-N 3.29Å; D180-A182 PolarHBondContact O-N 3.01Å; A182-R186 PolarHBondContact O-N 3.05Å; A182-R186 PolarHBondContact O-NH1 3.39Å; A182-I467 HydrophobicContact CB-CD1 3.89Å; A182-L470 HydrophobicContact CB-CD2 3.74Å
183	M	98.9	Very high	98.7	Very high	83 Å²	83	38.8 Å²	38.8	41%	0.409	18%	0.179	S	C	.	.	H	α-helix	trans	-64.7	-44.7	169.9	-64.2	-177.1	-176.6	0	0	111	Q179 D180 L181 M185 R186 N187	Q179-M183 HydrophobicContact CG-CE 4.01Å; Q179-M183 WeakPolarHBondContact O-CG 3.15Å; Q179-M183 PolarHBondContact O-N 3.04Å; D180-M183 WeakPolarHBondContact O-CA 3.27Å; D180-M183 VanDerWaalsContact O-CB 3.32Å; D180-M183 WeakPolarHBondContact O-CB 3.4Å; D180-M183 PolarHBondContact O-N 3.45Å; L181-M183 VanDerWaalsContact C-N 3.35Å; M183-M185 VanDerWaalsContact C-N 3.35Å; M183-M185 PolarHBondContact O-N 2.99Å; M183-R186 VanDerWaalsContact CG-NH2 3.31Å; M183-R186 PolarHBondContact O-N 3.46Å; M183-N187 PolarHBondContact O-N 3Å; M183-N187 PolarHBondContact O-ND2 3.43Å
184	D	98.9	Very high	98.6	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-63	-40.2	177.8	-66.8	-41.7	0	0	0	111.9	L137 D180 L181 R186 N187 L188 S259 L260 T263	L137-D184 HydrophobicContact CD2-CB 4.26Å; D180-D184 PolarHBondContact O-N 2.9Å; L181-D184 PolarHBondContact O-N 2.96Å; D184-R186 PolarHBondContact O-N 3.13Å; D184-N187 PolarHBondContact O-N 3.33Å; D184-N187 VanDerWaalsContact O-N 3.14Å; D184-L188 VanDerWaalsContact O-CD1 3.26Å; D184-L188 WeakPolarHBondContact O-CD1 3.33Å; D184-L188 PolarHBondContact O-N 3.2Å; D184-S259 PolarHBondContact OD1-OG 3.44Å; D184-L260 HydrophobicContact CB-CB 4.34Å; D184-L260 HydrophobicContact CB-CD1 4.04Å; D184-L260 PolarHBondContact OD1-N 2.91Å; D184-L260 WeakPolarHBondContact OD2-CA 3.26Å; D184-T263 WeakPolarHBondContact OD2-CB 3.46Å; D184-T263 WeakPolarHBondContact OD2-CG2 3.47Å; D184-T263 PolarHBondContact OD2-OG1 3.31Å
185	M	98.8	Very high	98.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-56.8	-48.6	175	178.7	63	80.4	0	0	111.4	L134 L137 A138 I141 L181 M183 N187 L188 Q189 L470 F474	L134-M185 HydrophobicContact CD2-SD 3.49Å; L134-M185 WeakPolarHBondContact CD2-SD 3.13Å; L137-M185 HydrophobicContact CB-CE 4.1Å; L137-M185 HydrophobicContact CD2-CB 3.95Å; L137-M185 HydrophobicContact CD2-CE 4.19Å; L137-M185 HydrophobicContact CD2-SD 4.33Å; L137-M185 HydrophobicContact CG-CE 3.9Å; A138-M185 HydrophobicContact CB-CE 3.63Å; I141-M185 HydrophobicContact CD1-CB 4.12Å; I141-M185 HydrophobicContact CD1-CE 4.1Å; L181-M185 PolarHBondContact O-N 3.39Å; M183-M185 VanDerWaalsContact C-N 3.35Å; M183-M185 PolarHBondContact O-N 2.99Å; M185-N187 VanDerWaalsContact C-N 3.3Å; M185-N187 PolarHBondContact O-N 3.45Å; M185-L188 PolarHBondContact O-N 3.26Å; M185-Q189 HydrophobicContact CG-CG 4.46Å; M185-Q189 WeakPolarHBondContact O-CB 3.5Å; M185-Q189 VanDerWaalsContact O-CG 3.26Å; M185-Q189 WeakPolarHBondContact O-CG 3.32Å; M185-Q189 PolarHBondContact O-N 3.19Å; M185-Q189 HydrophobicContact SD-CG 4.1Å; M185-L470 HydrophobicContact CB-CD1 4.32Å; M185-L470 HydrophobicContact CB-CD2 3.96Å; M185-L470 HydrophobicContact CB-CG 4.43Å; M185-L470 HydrophobicContact CG-CD1 3.63Å; M185-L470 HydrophobicContact CG-CD2 3.93Å; M185-L470 HydrophobicContact CG-CG 3.85Å; M185-F474 HydrophobicContact CE-CD2 4.46Å; M185-F474 HydrophobicContact CE-CE2 3.96Å; M185-F474 HydrophobicContact CE-CZ 4.35Å; M185-F474 HydrophobicContact SD-CE2 3.91Å; M185-F474 HydrophobicContact SD-CZ 4.06Å
186	R	98.6	Very high	98.6	Very high	110 Å²	110	48.2 Å²	48.2	42%	0.415	22%	0.223	S	C	.	.	H	α-helix	trans	-61.8	-39.9	177	-69.4	-172.9	-64.2	-95	7.3	111.9	A182 M183 D184 R190	A182-R186 PolarHBondContact O-N 3.05Å; A182-R186 PolarHBondContact O-NH1 3.39Å; M183-R186 VanDerWaalsContact CG-NH2 3.31Å; M183-R186 PolarHBondContact O-N 3.46Å; D184-R186 PolarHBondContact O-N 3.13Å; R186-R190 WeakPolarHBondContact O-CB 3.31Å; R186-R190 PolarHBondContact O-N 3.32Å
187	N	98.7	Very high	98.6	Very high	40 Å²	40	43.9 Å²	43.9	21%	0.214	20%	0.2	C	C	.	.	H	α-helix	trans	-66.5	-45.2	179.1	-73.8	-28.8	0	0	0	112.1	M183 D184 M185 R190 A191	M183-N187 PolarHBondContact O-N 3Å; M183-N187 PolarHBondContact O-ND2 3.43Å; D184-N187 PolarHBondContact O-N 3.33Å; D184-N187 VanDerWaalsContact O-N 3.14Å; M185-N187 VanDerWaalsContact C-N 3.3Å; M185-N187 PolarHBondContact O-N 3.45Å; N187-R190 PolarHBondContact O-N 3Å; N187-R190 PolarHBondContact OD1-NH2 3.31Å; N187-A191 WeakPolarHBondContact O-CB 3.5Å; N187-A191 PolarHBondContact O-N 2.98Å
188	L	98.8	Very high	98.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-66.3	-42.4	177.5	-90.7	67.1	0	0	0	111.2	F130 L133 L134 L137 D184 M185 A191 R192 L257	F130-L188 HydrophobicContact CD1-CB 4.34Å; F130-L188 HydrophobicContact CD1-CD2 4.47Å; F130-L188 HydrophobicContact CD1-CG 4.06Å; F130-L188 HydrophobicContact CE1-CG 4.04Å; L133-L188 HydrophobicContact CB-CD2 4.27Å; L134-L188 HydrophobicContact CD2-CB 3.75Å; L137-L188 HydrophobicContact CD2-CD2 4.27Å; D184-L188 VanDerWaalsContact O-CD1 3.26Å; D184-L188 WeakPolarHBondContact O-CD1 3.33Å; D184-L188 PolarHBondContact O-N 3.2Å; M185-L188 PolarHBondContact O-N 3.26Å; L188-A191 PolarHBondContact O-N 3.06Å; L188-R192 VanDerWaalsContact O-CB 3.27Å; L188-R192 WeakPolarHBondContact O-CB 3.38Å; L188-R192 PolarHBondContact O-N 3.44Å; L188-L257 HydrophobicContact CD1-CD2 4.47Å; L188-L257 HydrophobicContact CD2-CD2 4.43Å; L188-L257 HydrophobicContact CG-CD2 4.44Å
189	Q	98.5	Very high	98.6	Very high	49 Å²	49	43.8 Å²	43.8	23%	0.229	20%	0.2	C	C	.	.	H	α-helix	trans	-60.4	-46.8	175.4	-75.5	176.7	-37	0	0	111.2	L134 M185 R192 D193	L134-Q189 HydrophobicContact CD1-CG 4.33Å; L134-Q189 HydrophobicContact CD2-CG 3.59Å; M185-Q189 HydrophobicContact CG-CG 4.46Å; M185-Q189 WeakPolarHBondContact O-CB 3.5Å; M185-Q189 VanDerWaalsContact O-CG 3.26Å; M185-Q189 WeakPolarHBondContact O-CG 3.32Å; M185-Q189 PolarHBondContact O-N 3.19Å; M185-Q189 HydrophobicContact SD-CG 4.1Å; Q189-R192 PolarHBondContact O-N 3.43Å; Q189-D193 WeakPolarHBondContact O-CB 3.37Å; Q189-D193 PolarHBondContact O-N 2.93Å
190	R	98.3	Very high	98.6	Very high	145 Å²	145	41.1 Å²	41.1	55%	0.547	19%	0.187	S	C	.	.	H	α-helix	trans	-60.5	-49.2	175.9	-177.2	-177.8	62.6	-147.1	-11.1	111.5	R186 N187 R192 D193 D194	R186-R190 WeakPolarHBondContact O-CB 3.31Å; R186-R190 PolarHBondContact O-N 3.32Å; N187-R190 PolarHBondContact O-N 3Å; N187-R190 PolarHBondContact OD1-NH2 3.31Å; R190-R192 VanDerWaalsContact C-N 3.25Å; R190-R192 PolarHBondContact O-N 3.28Å; R190-D193 PolarHBondContact O-N 3.14Å; R190-D194 WeakPolarHBondContact CG-OD2 3.45Å; R190-D194 VanDerWaalsContact O-CB 3.27Å; R190-D194 WeakPolarHBondContact O-CB 3.47Å; R190-D194 PolarHBondContact O-N 3Å
191	A	98.1	Very high	98.6	Very high	16 Å²	16	38.9 Å²	38.9	13%	0.132	18%	0.175	C	C	.	.	H	α-helix	trans	-56.9	-42.3	178.6	0	0	0	0	0	111.2	F130 N187 L188 L195	F130-A191 HydrophobicContact CE1-CB 4.26Å; F130-A191 HydrophobicContact CE2-CB 4.17Å; F130-A191 HydrophobicContact CZ-CB 3.8Å; N187-A191 WeakPolarHBondContact O-CB 3.5Å; N187-A191 PolarHBondContact O-N 2.98Å; L188-A191 PolarHBondContact O-N 3.06Å; A191-L195 WeakPolarHBondContact O-CG 3.32Å
192	R	98.4	Very high	98.5	Very high	60 Å²	60	39 Å²	39	23%	0.226	18%	0.176	C	C	.	.	H	α-helix	trans	-66.9	-48.1	177.1	-175.4	-86.5	-177.7	-144.4	-10.2	113	F130 D131 L134 L188 Q189 R190 L195	F130-R192 HydrophobicContact CB-CB 3.7Å; F130-R192 HydrophobicContact CB-CG 3.66Å; F130-R192 HydrophobicContact CD2-CB 4.11Å; F130-R192 HydrophobicContact CG-CB 3.98Å; F130-R192 HydrophobicContact CG-CG 4.42Å; D131-R192 IonicContact OD1-CZ 2.73Å; D131-R192 IonicContact OD1-NE 2.77Å; D131-R192 PolarHBondContact OD1-NE 3.38Å; D131-R192 IonicContact OD1-NH2 4Å; D131-R192 PolarHBondContact OD1-NH2 3.16Å; D131-R192 IonicContact OD2-CZ 3.45Å; D131-R192 IonicContact OD2-NE 2.6Å; D131-R192 IonicContact OD2-NH2 2.69Å; D131-R192 PolarHBondContact OD2-NH2 3.41Å; L134-R192 HydrophobicContact CD1-CB 4.38Å; L134-R192 HydrophobicContact CD1-CG 4.29Å; L188-R192 VanDerWaalsContact O-CB 3.27Å; L188-R192 WeakPolarHBondContact O-CB 3.38Å; L188-R192 PolarHBondContact O-N 3.44Å; Q189-R192 PolarHBondContact O-N 3.43Å; R190-R192 VanDerWaalsContact C-N 3.25Å; R190-R192 PolarHBondContact O-N 3.28Å; R192-L195 WeakPolarHBondContact O-CB 3.03Å
193	D	97.6	Very high	98.4	Very high	84 Å²	84	42.6 Å²	42.6	45%	0.449	20%	0.198	S	C	.	.	H	α-helix	trans	-79.4	-25.6	-171.5	-75.8	-23.3	0	0	0	113.5	Q189 R190 L195	Q189-D193 WeakPolarHBondContact O-CB 3.37Å; Q189-D193 PolarHBondContact O-N 2.93Å; R190-D193 PolarHBondContact O-N 3.14Å; D193-L195 VanDerWaalsContact C-N 3.34Å
194	D	97.6	Very high	98.4	Very high	105 Å²	105	41.9 Å²	41.9	56%	0.561	20%	0.199	S	C	*	.	S	Bend	trans	-83.1	-10.2	175.8	-71.5	-21.1	0	0	0	113	R190 R196	R190-D194 WeakPolarHBondContact CG-OD2 3.45Å; R190-D194 VanDerWaalsContact O-CB 3.27Å; R190-D194 WeakPolarHBondContact O-CB 3.47Å; R190-D194 PolarHBondContact O-N 3Å; D194-R196 WeakPolarHBondContact O-CG 3.45Å; D194-R196 PolarHBondContact O-N 3.41Å
195	L	98.5	Very high	98.4	Very high	13 Å²	13	42.5 Å²	42.5	7%	0.068	21%	0.205	C	C	.	.			trans	-56.5	127.5	174.2	-83.5	170.3	0	0	0	110.5	L123 L126 R127 F130 A191 R192 D193 F234 V249	L123-L195 HydrophobicContact CD2-CD2 3.84Å; L126-L195 HydrophobicContact CB-CD1 4.17Å; R127-L195 HydrophobicContact CB-CD1 4.1Å; F130-L195 HydrophobicContact CD2-CD1 4.29Å; F130-L195 HydrophobicContact CE2-CD1 4.43Å; A191-L195 WeakPolarHBondContact O-CG 3.32Å; R192-L195 WeakPolarHBondContact O-CB 3.03Å; D193-L195 VanDerWaalsContact C-N 3.34Å; L195-F234 HydrophobicContact CB-CE1 4.15Å; L195-V249 HydrophobicContact CD2-CG1 3.56Å
196	R	98.8	Very high	98.4	Very high	106 Å²	106	46.8 Å²	46.8	40%	0.4	23%	0.232	S	C	.	.			trans	-113.8	150.2	174.4	-50.5	-174.6	-170.7	178.9	4.7	109.8	L123 D194 K236 Y238	L123-R196 WeakPolarHBondContact CD1-O 3.1Å; D194-R196 WeakPolarHBondContact O-CG 3.45Å; D194-R196 PolarHBondContact O-N 3.41Å; R196-K236 CarbonylContact C-O 3.56Å; R196-K236 VanDerWaalsContact CA-O 3.3Å; R196-K236 WeakPolarHBondContact CA-O 3.36Å; R196-K236 WeakPolarHBondContact CB-O 3.43Å; R196-K236 HydrophobicContact CG-CB 4.25Å; R196-Y238 HydrophobicContact CB-CD1 4.41Å; R196-Y238 HydrophobicContact CB-CD2 3.9Å; R196-Y238 HydrophobicContact CB-CE1 4.18Å; R196-Y238 HydrophobicContact CB-CE2 3.66Å; R196-Y238 HydrophobicContact CB-CG 4.26Å; R196-Y238 HydrophobicContact CG-CE1 4.35Å; R196-Y238 VanDerWaalsContact O-CE2 3.32Å; R196-Y238 WeakPolarHBondContact O-CE2 3.29Å
197	F	98.9	Very high	98.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-72.9	148	176.2	-153.9	-128.8	0	0	0	111.2	L44 N120 I124 V228 T229 A232 F234 K236 A237 Y238	L44-F197 HydrophobicContact CD2-CZ 3.79Å; N120-F197 HydrophobicContact CB-CD2 4.39Å; N120-F197 HydrophobicContact CB-CE1 4.26Å; N120-F197 HydrophobicContact CB-CE2 3.49Å; N120-F197 VanDerWaalsContact CB-CE2 3.49Å; N120-F197 HydrophobicContact CB-CZ 3.42Å; N120-F197 VanDerWaalsContact CB-CZ 3.42Å; N120-F197 WeakPolarHBondContact OD1-CD1 3.27Å; N120-F197 WeakPolarHBondContact OD1-CD2 3.46Å; N120-F197 WeakPolarHBondContact OD1-CE1 3.27Å; N120-F197 VanDerWaalsContact OD1-CE2 3.25Å; N120-F197 WeakPolarHBondContact OD1-CE2 3.47Å; N120-F197 VanDerWaalsContact OD1-CZ 3.22Å; N120-F197 WeakPolarHBondContact OD1-CZ 3.33Å; I124-F197 HydrophobicContact CD1-CE2 4.24Å; I124-F197 HydrophobicContact CG1-CE2 4.29Å; F197-V228 HydrophobicContact CE1-CG2 4.45Å; F197-T229 HydrophobicContact CB-CG2 3.9Å; F197-T229 HydrophobicContact CD1-CG2 4.42Å; F197-A232 HydrophobicContact CD1-CB 4.49Å; F197-A232 HydrophobicContact CD2-CB 4.35Å; F197-A232 HydrophobicContact CE1-CB 3.9Å; F197-A232 HydrophobicContact CE2-CB 3.75Å; F197-A232 HydrophobicContact CZ-CB 3.48Å; F197-A232 VanDerWaalsContact CZ-CB 3.48Å; F197-F234 HydrophobicContact CB-CB 3.79Å; F197-F234 HydrophobicContact CB-CD1 4.09Å; F197-F234 HydrophobicContact CB-CD2 4.19Å; F197-F234 HydrophobicContact CB-CG 3.76Å; F197-F234 HydrophobicContact CD2-CD1 4.42Å; F197-F234 AromaticContact CD2-CD2 3.43Å; F197-F234 HydrophobicContact CD2-CD2 3.43Å; F197-F234 VanDerWaalsContact CD2-CD2 3.43Å; F197-F234 AromaticContact CD2-CE2 3.58Å; F197-F234 HydrophobicContact CD2-CE2 3.58Å; F197-F234 AromaticContact CD2-CG 3.9Å; F197-F234 HydrophobicContact CD2-CG 3.9Å; F197-F234 HydrophobicContact CD2-CZ 4.14Å; F197-F234 HydrophobicContact CE2-CD2 4.03Å; F197-F234 AromaticContact CE2-CE2 3.99Å; F197-F234 HydrophobicContact CE2-CE2 3.99Å; F197-F234 HydrophobicContact CG-CB 4.34Å; F197-F234 HydrophobicContact CG-CD2 4.03Å; F197-F234 HydrophobicContact CG-CG 4.12Å; F197-K236 PolarHBondContact N-O 3.49Å; F197-A237 HydrophobicContact CB-CB 4.42Å; F197-A237 CarbonylContact O-C 3.58Å; F197-A237 WeakPolarHBondContact O-CA 3.24Å; F197-Y238 WeakPolarHBondContact O-CD2 3.33Å; F197-Y238 PolarHBondContact O-N 3.35Å
198	R	98.9	Very high	98.4	Very high	1 Å²	1	44.2 Å²	44.2	0%	0.004	23%	0.232	C	C	.	.			trans	-72	-44.9	169.3	175.9	-169.6	173.7	-80.7	2	109.5	N120 L123 K201 G202 Q243	N120-R198 VanDerWaalsContact OD1-CB 3.3Å; N120-R198 WeakPolarHBondContact OD1-CB 3.2Å; N120-R198 PolarHBondContact OD1-N 3.28Å; L123-R198 HydrophobicContact CD1-CB 4.01Å; R198-K201 HydrophobicContact CG-CG 4.33Å; R198-K201 VanDerWaalsContact O-CG 3.25Å; R198-K201 WeakPolarHBondContact O-CG 3.42Å; R198-K201 PolarHBondContact O-NZ 3.37Å; R198-G202 PolarHBondContact NH2-O 2.93Å; R198-Q243 PolarHBondContact NE-O 3.4Å; R198-Q243 PolarHBondContact NH2-O 3.47Å
199	G	98.6	Very high	98.4	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.245	C	C	.	.			trans	74	-150.7	-178.5	0	0	0	0	0	113.3	N120 D225	N120-G199 PolarHBondContact ND2-O 2.84Å; N120-G199 VanDerWaalsContact ND2-O 3.11Å; N120-G199 PolarHBondContact OD1-N 2.89Å; G199-D225 WeakPolarHBondContact CA-OD1 3.43Å
200	V	98.6	Very high	98.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.235	C	C	.	.	S	Bend	trans	-98.9	100.1	179.6	-75.9	0	0	0	0	111	L48 Y116 Q207 F210 L224 D225 V228	L48-V200 HydrophobicContact CD1-CG1 3.71Å; Y116-V200 HydrophobicContact CD2-CG1 3.75Å; Y116-V200 HydrophobicContact CE2-CG1 3.56Å; V200-Q207 VanDerWaalsContact O-CG 3.31Å; V200-Q207 WeakPolarHBondContact O-CG 3.24Å; V200-Q207 PolarHBondContact O-NE2 3.15Å; V200-F210 HydrophobicContact CB-CD2 4.13Å; V200-F210 HydrophobicContact CB-CE2 3.64Å; V200-F210 HydrophobicContact CB-CZ 3.84Å; V200-F210 HydrophobicContact CG1-CE1 4.32Å; V200-F210 HydrophobicContact CG1-CE2 4.09Å; V200-F210 HydrophobicContact CG1-CZ 3.76Å; V200-L224 HydrophobicContact CB-CD2 4.45Å; V200-L224 HydrophobicContact CG1-CD2 4.35Å; V200-L224 HydrophobicContact CG1-CG 4.41Å; V200-L224 HydrophobicContact CG2-CB 4.29Å; V200-L224 HydrophobicContact CG2-CD2 3.98Å; V200-L224 HydrophobicContact CG2-CG 3.74Å; V200-D225 VanDerWaalsContact CG2-CA 3.45Å; V200-D225 HydrophobicContact CG2-CB 3.66Å; V200-D225 PolarHBondContact N-OD1 2.63Å; V200-V228 HydrophobicContact CG1-CG2 4.21Å; V200-V228 HydrophobicContact CG2-CG2 4.35Å
201	K	98.7	Very high	98.4	Very high	3 Å²	3	39 Å²	39	1%	0.013	22%	0.22	C	C	.	.			trans	-119.2	-5.6	-172.2	-63.2	-62.2	-167.4	-65.2	0	115.5	R198 G205 T206 Q207 D225 Y238 T241	R198-K201 HydrophobicContact CG-CG 4.33Å; R198-K201 VanDerWaalsContact O-CG 3.25Å; R198-K201 WeakPolarHBondContact O-CG 3.42Å; R198-K201 PolarHBondContact O-NZ 3.37Å; K201-G205 CarbonylContact O-C 3.53Å; K201-G205 WeakPolarHBondContact O-CA 3.29Å; K201-G205 PolarHBondContact O-N 3.45Å; K201-T206 PolarHBondContact O-N 3.43Å; K201-Q207 HydrophobicContact CD-CG 4.19Å; K201-Q207 PolarHBondContact O-N 3.1Å; K201-D225 VanDerWaalsContact NZ-CG 3.27Å; K201-D225 IonicContact NZ-OD1 2.71Å; K201-D225 PolarHBondContact NZ-OD1 2.66Å; K201-D225 IonicContact NZ-OD2 3.93Å; K201-D225 PolarHBondContact NZ-OD2 3.25Å; K201-Y238 WeakPolarHBondContact CE-O 3.23Å; K201-Y238 PolarHBondContact NZ-O 3.29Å; K201-T241 WeakPolarHBondContact CB-OG1 3.42Å; K201-T241 HydrophobicContact CG-CG2 4.25Å; K201-T241 WeakPolarHBondContact CG-OG1 3.32Å
202	G	97.8	Very high	98.4	Very high	2 Å²	2	45.9 Å²	45.9	2%	0.021	25%	0.249	C	C	.	.			trans	65.4	-167.8	-172.3	0	0	0	0	0	112.7	T113 R198	T113-G202 VanDerWaalsContact CG2-O 3.23Å; T113-G202 WeakPolarHBondContact CG2-O 3.4Å; R198-G202 PolarHBondContact NH2-O 2.93Å
203	T	97.5	Very high	98.4	Very high	76 Å²	76	45.5 Å²	45.5	47%	0.466	25%	0.252	S	S	.	.	S	Bend	trans	-72.8	-31.2	-170.5	-54.5	0	0	0	0	114.3	Q243	T203-Q243 WeakPolarHBondContact O-CA 3.49Å; T203-Q243 WeakPolarHBondContact O-CB 3.43Å; T203-Q243 WeakPolarHBondContact O-CG 3.19Å; T203-Q243 PolarHBondContact O-NE2 3.15Å
204	T	98.4	Very high	98.5	Very high	68 Å²	68	42.1 Å²	42.1	42%	0.417	23%	0.233	S	C	.	.	S	Bend	trans	-126.1	16	-176.5	51.4	0	0	0	0	112.8	T206 G242	T204-T206 VanDerWaalsContact C-N 3.32Å; T204-T206 PolarHBondContact O-N 2.83Å; T204-G242 CarbonylContact C-O 3.46Å
205	G	98.5	Very high	98.5	Very high	14 Å²	14	46 Å²	46	14%	0.144	25%	0.248	C	C	.	.	S	Bend	trans	89.3	-8.9	176.7	0	0	0	0	0	115.5	K201 T241 G242	K201-G205 CarbonylContact O-C 3.53Å; K201-G205 WeakPolarHBondContact O-CA 3.29Å; K201-G205 PolarHBondContact O-N 3.45Å; G205-T241 WeakPolarHBondContact CA-O 3.33Å; G205-G242 WeakPolarHBondContact CA-O 3.35Å; G205-G242 PolarHBondContact N-O 3.23Å; G205-G242 VanDerWaalsContact N-O 3.13Å
206	T	98.7	Very high	98.5	Very high	91 Å²	91	47.3 Å²	47.3	56%	0.558	26%	0.264	S	S	*	.	S	Bend	trans	-88.5	-4.7	-172.1	63.6	0	0	0	0	114.6	K201 T204 A208	K201-T206 PolarHBondContact O-N 3.43Å; T204-T206 VanDerWaalsContact C-N 3.32Å; T204-T206 PolarHBondContact O-N 2.83Å; T206-A208 PolarHBondContact O-N 2.58Å
207	Q	98.8	Very high	98.5	Very high	40 Å²	40	45.1 Å²	45.1	19%	0.187	26%	0.26	C	S	.	.			trans	59.9	14.8	-179.4	-58	169.4	-52.6	0	0	115.3	V200 K201 S209 F210 L211 V221	V200-Q207 VanDerWaalsContact O-CG 3.31Å; V200-Q207 WeakPolarHBondContact O-CG 3.24Å; V200-Q207 PolarHBondContact O-NE2 3.15Å; K201-Q207 HydrophobicContact CD-CG 4.19Å; K201-Q207 PolarHBondContact O-N 3.1Å; Q207-S209 VanDerWaalsContact C-N 3.28Å; Q207-S209 PolarHBondContact O-N 2.84Å; Q207-S209 VanDerWaalsContact O-N 3.14Å; Q207-F210 PolarHBondContact O-N 3.43Å; Q207-L211 PolarHBondContact O-N 2.71Å; Q207-V221 HydrophobicContact CB-CG1 3.71Å; Q207-V221 HydrophobicContact CG-CG1 4.18Å
208	A	98.7	Very high	98.5	Very high	55 Å²	55	50.9 Å²	50.9	46%	0.455	29%	0.287	S	S	.	.	H	α-helix	trans	-55.1	-38.1	-173	0	0	0	0	0	114.3	T206 L211 Q212	T206-A208 PolarHBondContact O-N 2.58Å; A208-L211 PolarHBondContact O-N 2.99Å; A208-Q212 WeakPolarHBondContact O-CB 3.39Å; A208-Q212 PolarHBondContact O-N 3Å
209	S	98.6	Very high	98.5	Very high	39 Å²	39	56.8 Å²	56.8	27%	0.273	32%	0.319	S	S	.	.	H	α-helix	trans	-62	-43.5	176.4	48.6	0	0	0	0	112.4	G111 Q207 Q212 L213	G111-S209 VanDerWaalsContact O-CB 3.27Å; G111-S209 WeakPolarHBondContact O-CB 3.31Å; G111-S209 PolarHBondContact O-OG 3.04Å; Q207-S209 VanDerWaalsContact C-N 3.28Å; Q207-S209 PolarHBondContact O-N 2.84Å; Q207-S209 VanDerWaalsContact O-N 3.14Å; S209-Q212 PolarHBondContact O-N 2.55Å; S209-L213 WeakPolarHBondContact O-CG 3.41Å; S209-L213 PolarHBondContact O-N 2.64Å
210	F	98.7	Very high	98.5	Very high	1 Å²	1	60.2 Å²	60.2	0%	0.004	33%	0.334	C	S	.	.	H	α-helix	trans	-70.8	-40	176.9	-63.9	-69.8	0	0	0	111.7	L48 G111 A112 V200 Q207 Q212 L213 F214 V221 L224	L48-F210 HydrophobicContact CD1-CE1 4.15Å; L48-F210 HydrophobicContact CD1-CZ 4.47Å; G111-F210 VanDerWaalsContact C-CZ 3.42Å; G111-F210 WeakPolarHBondContact O-CE2 3.3Å; G111-F210 VanDerWaalsContact O-CZ 3.3Å; G111-F210 WeakPolarHBondContact O-CZ 3.49Å; A112-F210 HydrophobicContact CB-CZ 4.03Å; V200-F210 HydrophobicContact CB-CD2 4.13Å; V200-F210 HydrophobicContact CB-CE2 3.64Å; V200-F210 HydrophobicContact CB-CZ 3.84Å; V200-F210 HydrophobicContact CG1-CE1 4.32Å; V200-F210 HydrophobicContact CG1-CE2 4.09Å; V200-F210 HydrophobicContact CG1-CZ 3.76Å; Q207-F210 PolarHBondContact O-N 3.43Å; F210-Q212 VanDerWaalsContact C-N 3.25Å; F210-Q212 PolarHBondContact O-N 3.42Å; F210-L213 HydrophobicContact CD1-CD1 4.21Å; F210-L213 WeakPolarHBondContact O-CB 3.07Å; F210-L213 PolarHBondContact O-N 2.82Å; F210-L213 VanDerWaalsContact O-N 3.13Å; F210-F214 WeakPolarHBondContact O-CD2 3.41Å; F210-F214 PolarHBondContact O-N 2.75Å; F210-V221 HydrophobicContact CB-CG1 4.36Å; F210-V221 HydrophobicContact CB-CG2 4.3Å; F210-L224 HydrophobicContact CD1-CD2 3.52Å; F210-L224 HydrophobicContact CE1-CD2 3.87Å; F210-L224 HydrophobicContact CG-CD2 4.09Å
211	L	98.8	Very high	98.5	Very high	46 Å²	46	60.5 Å²	60.5	24%	0.241	34%	0.335	C	S	.	.	H	α-helix	trans	-59.5	-39.3	174.9	-173	65.1	0	0	0	111.5	Q207 A208 F214 Q215 G216 V221	Q207-L211 PolarHBondContact O-N 2.71Å; A208-L211 PolarHBondContact O-N 2.99Å; L211-F214 CarbonylContact O-C 3.53Å; L211-F214 PolarHBondContact O-N 2.89Å; L211-Q215 PolarHBondContact O-N 3.34Å; L211-Q215 VanDerWaalsContact O-N 3.12Å; L211-G216 PolarHBondContact O-N 2.95Å; L211-V221 HydrophobicContact CB-CG2 4.13Å; L211-V221 HydrophobicContact CD1-CG2 4.02Å
212	Q	98.5	Very high	98.5	Very high	159 Å²	159	66.6 Å²	66.6	74%	0.743	36%	0.364	S	S	*	.	H	α-helix	trans	-67	-41.9	174.5	-172.7	174.7	-2	0	0	112.3	A208 S209 F210 F214 Q215	A208-Q212 WeakPolarHBondContact O-CB 3.39Å; A208-Q212 PolarHBondContact O-N 3Å; S209-Q212 PolarHBondContact O-N 2.55Å; F210-Q212 VanDerWaalsContact C-N 3.25Å; F210-Q212 PolarHBondContact O-N 3.42Å; Q212-F214 PolarHBondContact O-N 2.95Å; Q212-Q215 PolarHBondContact O-N 2.96Å; Q212-Q215 VanDerWaalsContact O-N 3.08Å
213	L	98	Very high	98.5	Very high	53 Å²	53	69.1 Å²	69.1	28%	0.277	38%	0.375	S	S	.	.	H	α-helix	trans	-59.3	-37.5	174.9	-75.8	170.8	0	0	0	112.2	L57 L110 G111 S209 F210 Q215	L57-L213 HydrophobicContact CD1-CB 4.46Å; L110-L213 HydrophobicContact CD1-CD1 4.43Å; L110-L213 HydrophobicContact CD1-CD2 4.01Å; L110-L213 HydrophobicContact CD2-CD2 4.41Å; L110-L213 HydrophobicContact CG-CD1 3.93Å; L110-L213 HydrophobicContact CG-CD2 4.14Å; G111-L213 VanDerWaalsContact CA-CD1 3.45Å; S209-L213 WeakPolarHBondContact O-CG 3.41Å; S209-L213 PolarHBondContact O-N 2.64Å; F210-L213 HydrophobicContact CD1-CD1 4.21Å; F210-L213 WeakPolarHBondContact O-CB 3.07Å; F210-L213 PolarHBondContact O-N 2.82Å; F210-L213 VanDerWaalsContact O-N 3.13Å; L213-Q215 VanDerWaalsContact C-N 3.32Å
214	F	98.6	Very high	98.6	Very high	12 Å²	12	65.5 Å²	65.5	5%	0.053	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	19	176.4	-62.3	-62.4	0	0	0	113.9	L55 L57 F210 L211 Q212 G216 D217 K220 V221 L224	L55-F214 HydrophobicContact CB-CE1 3.77Å; L55-F214 HydrophobicContact CB-CZ 4.01Å; L55-F214 HydrophobicContact CD1-CZ 4.05Å; L57-F214 HydrophobicContact CD1-CE1 4.12Å; L57-F214 HydrophobicContact CD1-CZ 4.22Å; L57-F214 HydrophobicContact CD2-CD1 4.2Å; L57-F214 HydrophobicContact CD2-CE1 4.02Å; L57-F214 HydrophobicContact CG-CD1 4.43Å; L57-F214 HydrophobicContact CG-CE1 3.75Å; L57-F214 HydrophobicContact CG-CZ 4.31Å; F210-F214 WeakPolarHBondContact O-CD2 3.41Å; F210-F214 PolarHBondContact O-N 2.75Å; L211-F214 CarbonylContact O-C 3.53Å; L211-F214 PolarHBondContact O-N 2.89Å; Q212-F214 PolarHBondContact O-N 2.95Å; F214-G216 PolarHBondContact O-N 3.07Å; F214-G216 VanDerWaalsContact O-N 3.15Å; F214-D217 HydrophobicContact CB-CB 4.2Å; F214-D217 WeakPolarHBondContact O-CB 3.45Å; F214-D217 PolarHBondContact O-N 3.46Å; F214-K220 HydrophobicContact CB-CB 4.13Å; F214-K220 HydrophobicContact CB-CD 4.36Å; F214-K220 HydrophobicContact CD1-CB 3.98Å; F214-K220 HydrophobicContact CD1-CD 3.7Å; F214-K220 HydrophobicContact CD1-CG 4.49Å; F214-K220 HydrophobicContact CD2-CB 4.11Å; F214-K220 HydrophobicContact CE1-CB 4.39Å; F214-K220 HydrophobicContact CE1-CD 4.28Å; F214-K220 HydrophobicContact CG-CB 3.82Å; F214-K220 HydrophobicContact CG-CD 4.2Å; F214-V221 HydrophobicContact CD2-CG2 3.88Å; F214-L224 HydrophobicContact CE2-CB 4.31Å; F214-L224 HydrophobicContact CE2-CD2 3.8Å; F214-L224 HydrophobicContact CZ-CD2 4.24Å
215	Q	98.2	Very high	98.6	Very high	187 Å²	187	63 Å²	63	87%	0.874	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	34.5	172	-53.2	176.5	19.9	0	0	114.2	L211 Q212 L213	L211-Q215 PolarHBondContact O-N 3.34Å; L211-Q215 VanDerWaalsContact O-N 3.12Å; Q212-Q215 PolarHBondContact O-N 2.96Å; Q212-Q215 VanDerWaalsContact O-N 3.08Å; L213-Q215 VanDerWaalsContact C-N 3.32Å
216	G	98.3	Very high	98.6	Very high	41 Å²	41	68 Å²	68	42%	0.423	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.6	6.5	-179	0	0	0	0	0	115	L211 F214 H218	L211-G216 PolarHBondContact O-N 2.95Å; F214-G216 PolarHBondContact O-N 3.07Å; F214-G216 VanDerWaalsContact O-N 3.15Å; G216-H218 PolarHBondContact O-CD2 3.34Å; G216-H218 PolarHBondContact O-N 2.87Å
217	D	98.6	Very high	98.6	Very high	59 Å²	59	65.5 Å²	65.5	32%	0.316	33%	0.333	S	S	.	.			trans	-78	101.6	175.8	-171.8	-25.8	0	0	0	110.7	F214 D219 K220 V221	F214-D217 HydrophobicContact CB-CB 4.2Å; F214-D217 WeakPolarHBondContact O-CB 3.45Å; F214-D217 PolarHBondContact O-N 3.46Å; D217-D219 PolarHBondContact OD1-N 2.99Å; D217-D219 VanDerWaalsContact OD1-N 3.16Å; D217-K220 HydrophobicContact CB-CB 4.32Å; D217-K220 HydrophobicContact CB-CD 4.24Å; D217-K220 HydrophobicContact CB-CG 4.33Å; D217-K220 PolarHBondContact OD1-N 2.9Å; D217-K220 VanDerWaalsContact OD1-N 3.13Å; D217-K220 WeakPolarHBondContact OD2-CD 3.33Å; D217-K220 VanDerWaalsContact OD2-CE 3.31Å; D217-K220 WeakPolarHBondContact OD2-CE 3.33Å; D217-K220 WeakPolarHBondContact OD2-CG 3.47Å; D217-V221 WeakPolarHBondContact O-CG2 3.3Å; D217-V221 PolarHBondContact O-N 3.2Å
218	H	98.6	Very high	98.6	Very high	122 Å²	122	63.7 Å²	63.7	57%	0.565	33%	0.325	S	S	*	.	H	α-helix	trans	-67.5	-37.5	-179.3	-73.1	-99.6	0	0	0	112.6	G216 K220 V221 E222	G216-H218 PolarHBondContact O-CD2 3.34Å; G216-H218 PolarHBondContact O-N 2.87Å; H218-K220 VanDerWaalsContact C-N 3.3Å; H218-K220 PolarHBondContact O-N 3.48Å; H218-V221 WeakPolarHBondContact O-CB 3.38Å; H218-V221 PolarHBondContact O-N 3.41Å; H218-V221 VanDerWaalsContact O-N 3.1Å; H218-E222 PolarHBondContact O-N 3.36Å
219	D	98.7	Very high	98.6	Very high	124 Å²	124	61.4 Å²	61.4	66%	0.663	31%	0.305	S	S	*	.	H	α-helix	trans	-64.5	-38	-177.2	-67	-21.1	0	0	0	110.6	D217 E222 E223	D217-D219 PolarHBondContact OD1-N 2.99Å; D217-D219 VanDerWaalsContact OD1-N 3.16Å; D219-E222 PolarHBondContact O-N 3.23Å; D219-E223 VanDerWaalsContact O-CB 3.31Å; D219-E223 WeakPolarHBondContact O-CB 3.26Å; D219-E223 PolarHBondContact O-N 3.5Å
220	K	98.8	Very high	98.6	Very high	72 Å²	72	65.3 Å²	65.3	31%	0.313	32%	0.319	S	S	.	.	H	α-helix	trans	-65.9	-35.7	173.8	-73.7	-174	-177.2	-163.5	0	113.4	L55 F214 D217 H218 E223 L224	L55-K220 WeakPolarHBondContact CD1-O 3.29Å; L55-K220 HydrophobicContact CD2-CG 4.46Å; L55-K220 PolarHBondContact O-NZ 3.39Å; F214-K220 HydrophobicContact CB-CB 4.13Å; F214-K220 HydrophobicContact CB-CD 4.36Å; F214-K220 HydrophobicContact CD1-CB 3.98Å; F214-K220 HydrophobicContact CD1-CD 3.7Å; F214-K220 HydrophobicContact CD1-CG 4.49Å; F214-K220 HydrophobicContact CD2-CB 4.11Å; F214-K220 HydrophobicContact CE1-CB 4.39Å; F214-K220 HydrophobicContact CE1-CD 4.28Å; F214-K220 HydrophobicContact CG-CB 3.82Å; F214-K220 HydrophobicContact CG-CD 4.2Å; D217-K220 HydrophobicContact CB-CB 4.32Å; D217-K220 HydrophobicContact CB-CD 4.24Å; D217-K220 HydrophobicContact CB-CG 4.33Å; D217-K220 PolarHBondContact OD1-N 2.9Å; D217-K220 VanDerWaalsContact OD1-N 3.13Å; D217-K220 WeakPolarHBondContact OD2-CD 3.33Å; D217-K220 VanDerWaalsContact OD2-CE 3.31Å; D217-K220 WeakPolarHBondContact OD2-CE 3.33Å; D217-K220 WeakPolarHBondContact OD2-CG 3.47Å; H218-K220 VanDerWaalsContact C-N 3.3Å; H218-K220 PolarHBondContact O-N 3.48Å; K220-E223 PolarHBondContact O-N 3.15Å; K220-L224 WeakPolarHBondContact O-CB 3.48Å; K220-L224 PolarHBondContact O-N 3.09Å
221	V	98.8	Very high	98.6	Very high	6 Å²	6	68.6 Å²	68.6	4%	0.036	34%	0.335	C	S	.	.	H	α-helix	trans	-66.8	-43.7	177.1	176.7	0	0	0	0	110.5	Q207 F210 L211 F214 D217 H218 L224 D225	Q207-V221 HydrophobicContact CB-CG1 3.71Å; Q207-V221 HydrophobicContact CG-CG1 4.18Å; F210-V221 HydrophobicContact CB-CG1 4.36Å; F210-V221 HydrophobicContact CB-CG2 4.3Å; L211-V221 HydrophobicContact CB-CG2 4.13Å; L211-V221 HydrophobicContact CD1-CG2 4.02Å; F214-V221 HydrophobicContact CD2-CG2 3.88Å; D217-V221 WeakPolarHBondContact O-CG2 3.3Å; D217-V221 PolarHBondContact O-N 3.2Å; H218-V221 WeakPolarHBondContact O-CB 3.38Å; H218-V221 PolarHBondContact O-N 3.41Å; H218-V221 VanDerWaalsContact O-N 3.1Å; V221-L224 PolarHBondContact O-N 3.25Å; V221-D225 PolarHBondContact O-N 3.45Å
222	E	98.8	Very high	98.6	Very high	132 Å²	132	67 Å²	67	62%	0.617	33%	0.328	S	S	*	.	H	α-helix	trans	-63.9	-43.3	175.3	-68.4	-169.6	-171.6	0	0	111.7	H218 D219 L224 D225 R226	H218-E222 PolarHBondContact O-N 3.36Å; D219-E222 PolarHBondContact O-N 3.23Å; E222-L224 PolarHBondContact O-N 2.95Å; E222-D225 PolarHBondContact O-N 3.02Å; E222-R226 PolarHBondContact O-N 2.82Å
223	E	98.8	Very high	98.6	Very high	55 Å²	55	61.9 Å²	61.9	26%	0.257	32%	0.319	S	S	.	.	H	α-helix	trans	-67.7	-34.8	178.8	-175.5	61.8	-168	0	0	112.2	L55 D219 K220 D225 R226 K227	L55-E223 HydrophobicContact CD2-CB 4.08Å; L55-E223 HydrophobicContact CD2-CG 3.71Å; D219-E223 VanDerWaalsContact O-CB 3.31Å; D219-E223 WeakPolarHBondContact O-CB 3.26Å; D219-E223 PolarHBondContact O-N 3.5Å; K220-E223 PolarHBondContact O-N 3.15Å; E223-D225 VanDerWaalsContact C-N 3.35Å; E223-D225 PolarHBondContact O-N 2.84Å; E223-R226 PolarHBondContact O-N 2.84Å; E223-R226 IonicContact OE1-CZ 3.72Å; E223-R226 IonicContact OE1-NE 3.41Å; E223-R226 PolarHBondContact OE1-NE 3.31Å; E223-R226 IonicContact OE1-NH2 3.88Å; E223-R226 PolarHBondContact OE1-NH2 3.3Å; E223-R226 IonicContact OE2-CZ 3.15Å; E223-R226 IonicContact OE2-NE 2.78Å; E223-R226 PolarHBondContact OE2-NE 3.05Å; E223-R226 IonicContact OE2-NH2 3.35Å; E223-K227 HydrophobicContact CG-CD 4.12Å; E223-K227 HydrophobicContact CG-CG 4.34Å; E223-K227 WeakPolarHBondContact O-CB 3.35Å; E223-K227 VanDerWaalsContact O-CG 3.28Å; E223-K227 WeakPolarHBondContact O-CG 3.43Å; E223-K227 PolarHBondContact O-N 3.35Å; E223-K227 WeakPolarHBondContact OE1-CE 3.37Å; E223-K227 IonicContact OE1-NZ 3.63Å
224	L	98.9	Very high	98.6	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-58.2	-48.9	172.2	178.6	60.7	0	0	0	110.4	L48 A51 E52 L55 V200 F210 F214 K220 V221 E222 K227 V228	L48-L224 HydrophobicContact CD1-CD1 4.21Å; L48-L224 HydrophobicContact CD1-CD2 4.33Å; A51-L224 HydrophobicContact CB-CD1 3.44Å; A51-L224 VanDerWaalsContact CB-CD1 3.44Å; E52-L224 HydrophobicContact CG-CD1 4.05Å; E52-L224 HydrophobicContact CG-CD2 4.4Å; L55-L224 HydrophobicContact CD1-CB 3.58Å; L55-L224 HydrophobicContact CD1-CD1 4.1Å; L55-L224 HydrophobicContact CD1-CG 4.43Å; V200-L224 HydrophobicContact CB-CD2 4.45Å; V200-L224 HydrophobicContact CG1-CD2 4.35Å; V200-L224 HydrophobicContact CG1-CG 4.41Å; V200-L224 HydrophobicContact CG2-CB 4.29Å; V200-L224 HydrophobicContact CG2-CD2 3.98Å; V200-L224 HydrophobicContact CG2-CG 3.74Å; F210-L224 HydrophobicContact CD1-CD2 3.52Å; F210-L224 HydrophobicContact CE1-CD2 3.87Å; F210-L224 HydrophobicContact CG-CD2 4.09Å; F214-L224 HydrophobicContact CE2-CB 4.31Å; F214-L224 HydrophobicContact CE2-CD2 3.8Å; F214-L224 HydrophobicContact CZ-CD2 4.24Å; K220-L224 WeakPolarHBondContact O-CB 3.48Å; K220-L224 PolarHBondContact O-N 3.09Å; V221-L224 PolarHBondContact O-N 3.25Å; E222-L224 PolarHBondContact O-N 2.95Å; L224-K227 PolarHBondContact O-N 3.36Å; L224-V228 HydrophobicContact CD1-CG1 4.2Å; L224-V228 WeakPolarHBondContact O-CG1 3.44Å; L224-V228 WeakPolarHBondContact O-CG2 3.41Å; L224-V228 PolarHBondContact O-N 2.62Å
225	D	98.9	Very high	98.5	Very high	16 Å²	16	70 Å²	70	9%	0.086	35%	0.346	C	S	.	.	H	α-helix	trans	-62.7	-42.5	179.1	-161.9	42.1	0	0	0	112.3	G199 V200 K201 V221 E222 E223 V228 T229	G199-D225 WeakPolarHBondContact CA-OD1 3.43Å; V200-D225 VanDerWaalsContact CG2-CA 3.45Å; V200-D225 HydrophobicContact CG2-CB 3.66Å; V200-D225 PolarHBondContact N-OD1 2.63Å; K201-D225 VanDerWaalsContact NZ-CG 3.27Å; K201-D225 IonicContact NZ-OD1 2.71Å; K201-D225 PolarHBondContact NZ-OD1 2.66Å; K201-D225 IonicContact NZ-OD2 3.93Å; K201-D225 PolarHBondContact NZ-OD2 3.25Å; V221-D225 PolarHBondContact O-N 3.45Å; E222-D225 PolarHBondContact O-N 3.02Å; E223-D225 VanDerWaalsContact C-N 3.35Å; E223-D225 PolarHBondContact O-N 2.84Å; D225-V228 WeakPolarHBondContact O-CG2 3.46Å; D225-T229 VanDerWaalsContact O-CB 3.23Å; D225-T229 WeakPolarHBondContact O-CB 3.23Å; D225-T229 PolarHBondContact O-N 3.5Å; D225-T229 VanDerWaalsContact O-N 3.12Å; D225-T229 PolarHBondContact O-OG1 2.87Å
226	R	98.8	Very high	98.5	Very high	118 Å²	118	67.6 Å²	67.6	45%	0.445	33%	0.333	S	S	.	.	H	α-helix	trans	-61.7	-49.1	176.3	-164.2	-167.3	70.6	69.9	2.7	111.4	E222 E223 T229 E230	E222-R226 PolarHBondContact O-N 2.82Å; E223-R226 PolarHBondContact O-N 2.84Å; E223-R226 IonicContact OE1-CZ 3.72Å; E223-R226 IonicContact OE1-NE 3.41Å; E223-R226 PolarHBondContact OE1-NE 3.31Å; E223-R226 IonicContact OE1-NH2 3.88Å; E223-R226 PolarHBondContact OE1-NH2 3.3Å; E223-R226 IonicContact OE2-CZ 3.15Å; E223-R226 IonicContact OE2-NE 2.78Å; E223-R226 PolarHBondContact OE2-NE 3.05Å; E223-R226 IonicContact OE2-NH2 3.35Å; R226-T229 PolarHBondContact O-N 3.24Å; R226-E230 IonicContact CZ-OE2 2.63Å; R226-E230 IonicContact NH1-OE2 2.81Å; R226-E230 PolarHBondContact NH1-OE2 3.25Å; R226-E230 IonicContact NH2-OE2 3.48Å; R226-E230 WeakPolarHBondContact O-CB 3.36Å; R226-E230 PolarHBondContact O-N 2.8Å
227	K	98.8	Very high	98.5	Very high	39 Å²	39	66.5 Å²	66.5	17%	0.17	32%	0.319	C	S	.	.	H	α-helix	trans	-61.5	-50.1	-178.9	-77.3	177	177	-68.8	0	112.1	A51 E54 L55 E223 L224 T229 E230 M231	A51-K227 HydrophobicContact CB-CB 3.94Å; A51-K227 HydrophobicContact CB-CD 4.24Å; E54-K227 WeakPolarHBondContact OE2-CE 3.5Å; E54-K227 IonicContact OE2-NZ 3.62Å; E54-K227 PolarHBondContact OE2-NZ 3.18Å; L55-K227 HydrophobicContact CG-CD 4.46Å; E223-K227 HydrophobicContact CG-CD 4.12Å; E223-K227 HydrophobicContact CG-CG 4.34Å; E223-K227 WeakPolarHBondContact O-CB 3.35Å; E223-K227 VanDerWaalsContact O-CG 3.28Å; E223-K227 WeakPolarHBondContact O-CG 3.43Å; E223-K227 PolarHBondContact O-N 3.35Å; E223-K227 WeakPolarHBondContact OE1-CE 3.37Å; E223-K227 IonicContact OE1-NZ 3.63Å; L224-K227 PolarHBondContact O-N 3.36Å; K227-T229 VanDerWaalsContact C-N 3.27Å; K227-T229 PolarHBondContact O-N 2.8Å; K227-E230 PolarHBondContact O-N 3.28Å; K227-M231 HydrophobicContact CB-CE 4.24Å; K227-M231 WeakPolarHBondContact O-CB 3.42Å; K227-M231 WeakPolarHBondContact O-CE 3.4Å; K227-M231 VanDerWaalsContact O-CG 3.3Å; K227-M231 WeakPolarHBondContact O-CG 3.29Å; K227-M231 PolarHBondContact O-N 3.19Å
228	V	98.8	Very high	98.5	Very high	1 Å²	1	65.8 Å²	65.8	1%	0.006	31%	0.313	C	S	.	.	H	α-helix	trans	-64.5	-34.2	179.8	-60.1	0	0	0	0	112	A51 F197 V200 L224 D225 M231 A232	A51-V228 HydrophobicContact CB-CG1 4Å; F197-V228 HydrophobicContact CE1-CG2 4.45Å; V200-V228 HydrophobicContact CG1-CG2 4.21Å; V200-V228 HydrophobicContact CG2-CG2 4.35Å; L224-V228 HydrophobicContact CD1-CG1 4.2Å; L224-V228 WeakPolarHBondContact O-CG1 3.44Å; L224-V228 WeakPolarHBondContact O-CG2 3.41Å; L224-V228 PolarHBondContact O-N 2.62Å; D225-V228 WeakPolarHBondContact O-CG2 3.46Å; V228-M231 HydrophobicContact CG1-CE 4.34Å; V228-A232 VanDerWaalsContact O-CB 3.25Å; V228-A232 WeakPolarHBondContact O-CB 3.5Å; V228-A232 PolarHBondContact O-N 2.96Å
229	T	98.8	Very high	98.5	Very high	8 Å²	8	67.5 Å²	67.5	5%	0.049	33%	0.325	C	S	.	.	H	α-helix	trans	-66.1	-47	176.9	-62.5	0	0	0	0	111.6	F197 D225 R226 K227 A232 G233 F234 A237	F197-T229 HydrophobicContact CB-CG2 3.9Å; F197-T229 HydrophobicContact CD1-CG2 4.42Å; D225-T229 VanDerWaalsContact O-CB 3.23Å; D225-T229 WeakPolarHBondContact O-CB 3.23Å; D225-T229 PolarHBondContact O-N 3.5Å; D225-T229 VanDerWaalsContact O-N 3.12Å; D225-T229 PolarHBondContact O-OG1 2.87Å; R226-T229 PolarHBondContact O-N 3.24Å; K227-T229 VanDerWaalsContact C-N 3.27Å; K227-T229 PolarHBondContact O-N 2.8Å; T229-A232 PolarHBondContact O-N 3.45Å; T229-G233 PolarHBondContact O-N 3.49Å; T229-F234 HydrophobicContact CG2-CB 3.83Å; T229-F234 PolarHBondContact O-N 2.81Å; T229-A237 HydrophobicContact CG2-CB 4.06Å
230	E	98.6	Very high	98.5	Very high	120 Å²	120	67.8 Å²	67.8	56%	0.561	33%	0.331	S	S	*	.	H	α-helix	trans	-62.2	-48.6	176.8	-178.5	176	-174.9	0	0	111	R226 K227 A232 G233	R226-E230 IonicContact CZ-OE2 2.63Å; R226-E230 IonicContact NH1-OE2 2.81Å; R226-E230 PolarHBondContact NH1-OE2 3.25Å; R226-E230 IonicContact NH2-OE2 3.48Å; R226-E230 WeakPolarHBondContact O-CB 3.36Å; R226-E230 PolarHBondContact O-N 2.8Å; K227-E230 PolarHBondContact O-N 3.28Å; E230-A232 VanDerWaalsContact C-N 3.26Å; E230-A232 PolarHBondContact O-N 3.46Å; E230-G233 WeakPolarHBondContact O-CA 3.24Å; E230-G233 PolarHBondContact O-N 2.95Å
231	M	98.5	Very high	98.5	Very high	70 Å²	70	65.3 Å²	65.3	35%	0.345	32%	0.322	S	S	.	.	H	α-helix	trans	-63.4	-29.8	178.6	-70.6	-171.4	-71.4	0	0	113.3	L47 A51 K227 V228 G233	L47-M231 HydrophobicContact CB-CE 4.2Å; L47-M231 HydrophobicContact CD1-CB 3.88Å; L47-M231 HydrophobicContact CD2-CB 3.81Å; L47-M231 HydrophobicContact CD2-CG 4.45Å; L47-M231 HydrophobicContact CD2-SD 3.98Å; L47-M231 HydrophobicContact CG-CB 4.3Å; L47-M231 VanDerWaalsContact O-CE 3.28Å; L47-M231 WeakPolarHBondContact O-CE 3.47Å; A51-M231 HydrophobicContact CB-CE 3.76Å; K227-M231 HydrophobicContact CB-CE 4.24Å; K227-M231 WeakPolarHBondContact O-CB 3.42Å; K227-M231 WeakPolarHBondContact O-CE 3.4Å; K227-M231 VanDerWaalsContact O-CG 3.3Å; K227-M231 WeakPolarHBondContact O-CG 3.29Å; K227-M231 PolarHBondContact O-N 3.19Å; V228-M231 HydrophobicContact CG1-CE 4.34Å; M231-G233 PolarHBondContact O-N 3.44Å
232	A	98.3	Very high	98.5	Very high	12 Å²	12	66 Å²	66	10%	0.099	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-4.4	173.7	0	0	0	0	0	113.4	L47 R127 F197 V228 T229 E230 F234	L47-A232 HydrophobicContact CD1-CB 4.34Å; R127-A232 PolarHBondContact NH1-O 3.14Å; F197-A232 HydrophobicContact CD1-CB 4.49Å; F197-A232 HydrophobicContact CD2-CB 4.35Å; F197-A232 HydrophobicContact CE1-CB 3.9Å; F197-A232 HydrophobicContact CE2-CB 3.75Å; F197-A232 HydrophobicContact CZ-CB 3.48Å; F197-A232 VanDerWaalsContact CZ-CB 3.48Å; V228-A232 VanDerWaalsContact O-CB 3.25Å; V228-A232 WeakPolarHBondContact O-CB 3.5Å; V228-A232 PolarHBondContact O-N 2.96Å; T229-A232 PolarHBondContact O-N 3.45Å; E230-A232 VanDerWaalsContact C-N 3.26Å; E230-A232 PolarHBondContact O-N 3.46Å; A232-F234 HydrophobicContact CB-CD2 4.2Å
233	G	98.1	Very high	98.5	Very high	53 Å²	53	61.8 Å²	61.8	55%	0.546	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.7	29	179.1	0	0	0	0	0	113.8	R127 T229 E230 M231	R127-G233 PolarHBondContact NH1-O 3.48Å; T229-G233 PolarHBondContact O-N 3.49Å; E230-G233 WeakPolarHBondContact O-CA 3.24Å; E230-G233 PolarHBondContact O-N 2.95Å; M231-G233 PolarHBondContact O-N 3.44Å
234	F	98.6	Very high	98.5	Very high	15 Å²	15	59.6 Å²	59.6	7%	0.066	30%	0.301	C	S	.	.			trans	-105.2	139.7	173.7	-79.9	-99.1	0	0	0	110.9	L123 I124 R127 L195 F197 T229 A232	L123-F234 HydrophobicContact CB-CZ 4.16Å; I124-F234 HydrophobicContact CG1-CE2 3.84Å; R127-F234 HydrophobicContact CB-CZ 4.24Å; L195-F234 HydrophobicContact CB-CE1 4.15Å; F197-F234 HydrophobicContact CB-CB 3.79Å; F197-F234 HydrophobicContact CB-CD1 4.09Å; F197-F234 HydrophobicContact CB-CD2 4.19Å; F197-F234 HydrophobicContact CB-CG 3.76Å; F197-F234 HydrophobicContact CD2-CD1 4.42Å; F197-F234 AromaticContact CD2-CD2 3.43Å; F197-F234 HydrophobicContact CD2-CD2 3.43Å; F197-F234 VanDerWaalsContact CD2-CD2 3.43Å; F197-F234 AromaticContact CD2-CE2 3.58Å; F197-F234 HydrophobicContact CD2-CE2 3.58Å; F197-F234 AromaticContact CD2-CG 3.9Å; F197-F234 HydrophobicContact CD2-CG 3.9Å; F197-F234 HydrophobicContact CD2-CZ 4.14Å; F197-F234 HydrophobicContact CE2-CD2 4.03Å; F197-F234 AromaticContact CE2-CE2 3.99Å; F197-F234 HydrophobicContact CE2-CE2 3.99Å; F197-F234 HydrophobicContact CG-CB 4.34Å; F197-F234 HydrophobicContact CG-CD2 4.03Å; F197-F234 HydrophobicContact CG-CG 4.12Å; T229-F234 HydrophobicContact CG2-CB 3.83Å; T229-F234 PolarHBondContact O-N 2.81Å; A232-F234 HydrophobicContact CB-CD2 4.2Å
235	R	96.8	Very high	98.5	Very high	220 Å²	220	59.6 Å²	59.6	83%	0.83	30%	0.301	S	S	*	.	S	Bend	trans	-74.4	-29.7	178.1	-66.3	-179.2	-179.3	167.8	1.3	112.9
236	K	98	Very high	98.5	Very high	137 Å²	137	62.2 Å²	62.2	60%	0.596	32%	0.32	S	S	*	.			trans	-145.5	147.9	-174.3	-65.1	-173.6	179.6	179.9	0	110.6	R196 F197	R196-K236 CarbonylContact C-O 3.56Å; R196-K236 VanDerWaalsContact CA-O 3.3Å; R196-K236 WeakPolarHBondContact CA-O 3.36Å; R196-K236 WeakPolarHBondContact CB-O 3.43Å; R196-K236 HydrophobicContact CG-CB 4.25Å; F197-K236 PolarHBondContact N-O 3.49Å
237	A	98.6	Very high	98.5	Very high	17 Å²	17	57 Å²	57	14%	0.14	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-103.9	164.2	165.9	0	0	0	0	0	111.1	F197 T229	F197-A237 HydrophobicContact CB-CB 4.42Å; F197-A237 CarbonylContact O-C 3.58Å; F197-A237 WeakPolarHBondContact O-CA 3.24Å; T229-A237 HydrophobicContact CG2-CB 4.06Å
238	Y	98.7	Very high	98.5	Very high	45 Å²	45	60.6 Å²	60.6	18%	0.176	32%	0.316	C	S	.	.			trans	-71.2	133.3	164.4	-71.7	-73.2	0	0	0	110.1	R196 F197 K201 T241 V249	R196-Y238 HydrophobicContact CB-CD1 4.41Å; R196-Y238 HydrophobicContact CB-CD2 3.9Å; R196-Y238 HydrophobicContact CB-CE1 4.18Å; R196-Y238 HydrophobicContact CB-CE2 3.66Å; R196-Y238 HydrophobicContact CB-CG 4.26Å; R196-Y238 HydrophobicContact CG-CE1 4.35Å; R196-Y238 VanDerWaalsContact O-CE2 3.32Å; R196-Y238 WeakPolarHBondContact O-CE2 3.29Å; F197-Y238 WeakPolarHBondContact O-CD2 3.33Å; F197-Y238 PolarHBondContact O-N 3.35Å; K201-Y238 WeakPolarHBondContact CE-O 3.23Å; K201-Y238 PolarHBondContact NZ-O 3.29Å; Y238-T241 HydrophobicContact CG-CG2 4.43Å; Y238-V249 HydrophobicContact CE2-CG2 4.38Å; Y238-V249 WeakPolarHBondContact OH-CG2 3.41Å
239	L	98.2	Very high	98.5	Very high	157 Å²	157	61.1 Å²	61.1	82%	0.822	32%	0.319	S	S	*	.	S	Bend	trans	-81.6	-32.8	173.3	-60.5	179.5	0	0	0	111.8
240	V	98.5	Very high	98.5	Very high	131 Å²	131	60.9 Å²	60.9	79%	0.794	32%	0.318	S	S	*	.	S	Bend	trans	-121.8	122.7	-178	-178.5	0	0	0	0	108.8
241	T	98.8	Very high	98.5	Very high	20 Å²	20	55.9 Å²	55.9	12%	0.123	30%	0.296	C	S	.	.			trans	-140.4	158	174.4	64.6	0	0	0	0	109.2	K201 G205 Y238 T244	K201-T241 WeakPolarHBondContact CB-OG1 3.42Å; K201-T241 HydrophobicContact CG-CG2 4.25Å; K201-T241 WeakPolarHBondContact CG-OG1 3.32Å; G205-T241 WeakPolarHBondContact CA-O 3.33Å; Y238-T241 HydrophobicContact CG-CG2 4.43Å; T241-T244 WeakPolarHBondContact CB-O 3.47Å
242	G	98.5	Very high	98.5	Very high	19 Å²	19	56.4 Å²	56.4	20%	0.196	30%	0.3	C	S	.	.	S	Bend	trans	-80.7	-132.3	154.7	0	0	0	0	0	109.2	T204 G205 T244	T204-G242 CarbonylContact C-O 3.46Å; G205-G242 WeakPolarHBondContact CA-O 3.35Å; G205-G242 PolarHBondContact N-O 3.23Å; G205-G242 VanDerWaalsContact N-O 3.13Å; G242-T244 VanDerWaalsContact C-N 3.27Å; G242-T244 PolarHBondContact O-N 3.37Å
243	Q	98.8	Very high	98.5	Very high	45 Å²	45	56 Å²	56	21%	0.21	30%	0.296	C	S	.	.	S	Bend	trans	-68.7	-28.4	170.7	-170.7	167.5	99.9	0	0	112.6	C115 R198 T203 E330 R331	C115-Q243 HydrophobicContact CB-CG 4.29Å; C115-Q243 WeakPolarHBondContact CB-O 3.27Å; R198-Q243 PolarHBondContact NE-O 3.4Å; R198-Q243 PolarHBondContact NH2-O 3.47Å; T203-Q243 WeakPolarHBondContact O-CA 3.49Å; T203-Q243 WeakPolarHBondContact O-CB 3.43Å; T203-Q243 WeakPolarHBondContact O-CG 3.19Å; T203-Q243 PolarHBondContact O-NE2 3.15Å; Q243-E330 PolarHBondContact N-O 2.91Å; Q243-R331 HydrophobicContact CB-CB 3.74Å; Q243-R331 HydrophobicContact CB-CG 4.07Å
244	T	98.9	Very high	98.6	Very high	9 Å²	9	53.6 Å²	53.6	6%	0.055	27%	0.27	C	S	.	.	S	Bend	trans	-121.7	166.1	-170.7	49.9	0	0	0	0	112.1	C115 D119 T241 G242 R331	C115-T244 HydrophobicContact CB-CG2 4.47Å; D119-T244 WeakPolarHBondContact OD2-CA 3.19Å; D119-T244 WeakPolarHBondContact OD2-CB 3.21Å; D119-T244 VanDerWaalsContact OD2-CG2 3.23Å; D119-T244 WeakPolarHBondContact OD2-CG2 3.48Å; T241-T244 WeakPolarHBondContact CB-O 3.47Å; G242-T244 VanDerWaalsContact C-N 3.27Å; G242-T244 PolarHBondContact O-N 3.37Å; T244-R331 VanDerWaalsContact CG2-CD 3.42Å
245	Y	98.8	Very high	98.6	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.284	C	S	.	.	S	Bend	trans	-63	147.3	156.4	72.6	-100.6	0	0	0	108.8	D119 D122 L123 R247 V249 D250 R339	D119-Y245 HydrophobicContact CB-CD1 3.74Å; D119-Y245 HydrophobicContact CB-CE1 4.03Å; D119-Y245 WeakPolarHBondContact OD2-CD1 3.43Å; D119-Y245 PolarHBondContact OD2-N 3.44Å; D122-Y245 HydrophobicContact CB-CE1 4.47Å; L123-Y245 HydrophobicContact CD1-CD1 3.66Å; L123-Y245 HydrophobicContact CD1-CE1 4.25Å; L123-Y245 HydrophobicContact CD1-CG 4.13Å; L123-Y245 HydrophobicContact CD2-CD1 3.97Å; L123-Y245 HydrophobicContact CD2-CD2 4.34Å; L123-Y245 HydrophobicContact CD2-CE1 4.01Å; L123-Y245 HydrophobicContact CD2-CE2 4.4Å; L123-Y245 HydrophobicContact CD2-CG 4.15Å; L123-Y245 HydrophobicContact CG-CD1 3.7Å; L123-Y245 HydrophobicContact CG-CE1 3.77Å; L123-Y245 HydrophobicContact CG-CG 4.31Å; Y245-R247 VanDerWaalsContact CZ-NH1 3.3Å; Y245-R247 PolarHBondContact O-N 3.4Å; Y245-R247 PolarHBondContact O-NH1 3.02Å; Y245-V249 HydrophobicContact CD2-CB 3.8Å; Y245-V249 HydrophobicContact CD2-CG1 4.31Å; Y245-V249 HydrophobicContact CD2-CG2 3.95Å; Y245-V249 HydrophobicContact CE2-CB 3.81Å; Y245-V249 HydrophobicContact CE2-CG1 4.15Å; Y245-V249 HydrophobicContact CE2-CG2 4.47Å; Y245-D250 VanDerWaalsContact CE2-OD1 3.23Å; Y245-D250 WeakPolarHBondContact CE2-OD1 3.35Å; Y245-D250 PolarHBondContact OH-OD1 3.31Å; Y245-R339 PolarHBondContact OH-NH2 3.34Å
246	S	98.8	Very high	98.7	Very high	71 Å²	71	45.1 Å²	45.1	50%	0.497	25%	0.247	S	C	.	.			trans	-59.6	128.5	-177.9	-179.8	0	0	0	0	111.3	K248 V249	S246-K248 PolarHBondContact O-N 3.24Å; S246-K248 PolarHBondContact OG-N 3.06Å; S246-V249 WeakPolarHBondContact O-CB 3.32Å; S246-V249 VanDerWaalsContact O-CG2 3.29Å; S246-V249 WeakPolarHBondContact O-CG2 3.11Å; S246-V249 PolarHBondContact O-N 3.46Å
247	R	98.8	Very high	98.7	Very high	8 Å²	8	38.6 Å²	38.6	3%	0.03	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-6.7	176.9	-57.6	-50.2	-173.6	-146.5	9.2	113.9	D119 Y245 V249 D250 V251 A324 Q327 D335	D119-R247 VanDerWaalsContact CG-NH1 3.33Å; D119-R247 IonicContact OD1-CZ 2.75Å; D119-R247 IonicContact OD1-NH1 3.79Å; D119-R247 PolarHBondContact OD1-NH1 3.24Å; D119-R247 VanDerWaalsContact OD1-NH1 3.15Å; D119-R247 IonicContact OD1-NH2 2.81Å; D119-R247 PolarHBondContact OD1-NH2 3.1Å; D119-R247 IonicContact OD2-CZ 3.62Å; D119-R247 IonicContact OD2-NH1 2.83Å; D119-R247 PolarHBondContact OD2-NH1 3.38Å; D119-R247 IonicContact OD2-NH2 2.71Å; Y245-R247 VanDerWaalsContact CZ-NH1 3.3Å; Y245-R247 PolarHBondContact O-N 3.4Å; Y245-R247 PolarHBondContact O-NH1 3.02Å; R247-V249 PolarHBondContact O-N 3.06Å; R247-D250 WeakPolarHBondContact CD-OD2 3.38Å; R247-D250 WeakPolarHBondContact O-CB 3.47Å; R247-D250 PolarHBondContact O-N 2.87Å; R247-D250 VanDerWaalsContact O-N 3.1Å; R247-V251 PolarHBondContact O-N 3.41Å; R247-A324 HydrophobicContact CB-CB 4.05Å; R247-Q327 HydrophobicContact CG-CG 4.11Å; R247-D335 IonicContact CZ-OD2 3.4Å; R247-D335 VanDerWaalsContact CZ-OD2 3.28Å; R247-D335 IonicContact NE-OD2 2.99Å; R247-D335 PolarHBondContact NE-OD2 3.45Å; R247-D335 IonicContact NH2-OD2 3.7Å; R247-D335 PolarHBondContact NH2-OD2 2.89Å
248	K	98.8	Very high	98.7	Very high	114 Å²	114	38.2 Å²	38.2	50%	0.496	22%	0.215	S	C	.	.	H	α-helix	trans	-59	-28.3	164.1	179.6	163.4	170.6	41.4	0	112.9	S246 D250 V251 D252	S246-K248 PolarHBondContact O-N 3.24Å; S246-K248 PolarHBondContact OG-N 3.06Å; K248-D250 VanDerWaalsContact C-N 3.29Å; K248-D250 PolarHBondContact O-N 3.46Å; K248-V251 WeakPolarHBondContact O-CB 3.46Å; K248-V251 PolarHBondContact O-N 3.35Å; K248-D252 IonicContact NZ-OD1 3.5Å; K248-D252 PolarHBondContact NZ-OD1 3.03Å; K248-D252 IonicContact NZ-OD2 3.28Å; K248-D252 PolarHBondContact NZ-OD2 3.48Å; K248-D252 PolarHBondContact O-N 2.95Å
249	V	98.8	Very high	98.7	Very high	12 Å²	12	38.3 Å²	38.3	7%	0.073	22%	0.223	C	C	.	.	H	α-helix	trans	-61.2	-40.6	173.2	176.7	0	0	0	0	110.9	L123 L195 Y238 Y245 S246 R247 V251 D252 C253	L123-V249 HydrophobicContact CD2-CG1 4.38Å; L195-V249 HydrophobicContact CD2-CG1 3.56Å; Y238-V249 HydrophobicContact CE2-CG2 4.38Å; Y238-V249 WeakPolarHBondContact OH-CG2 3.41Å; Y245-V249 HydrophobicContact CD2-CB 3.8Å; Y245-V249 HydrophobicContact CD2-CG1 4.31Å; Y245-V249 HydrophobicContact CD2-CG2 3.95Å; Y245-V249 HydrophobicContact CE2-CB 3.81Å; Y245-V249 HydrophobicContact CE2-CG1 4.15Å; Y245-V249 HydrophobicContact CE2-CG2 4.47Å; S246-V249 WeakPolarHBondContact O-CB 3.32Å; S246-V249 VanDerWaalsContact O-CG2 3.29Å; S246-V249 WeakPolarHBondContact O-CG2 3.11Å; S246-V249 PolarHBondContact O-N 3.46Å; R247-V249 PolarHBondContact O-N 3.06Å; V249-V251 VanDerWaalsContact C-N 3.29Å; V249-V251 PolarHBondContact O-N 3.03Å; V249-D252 PolarHBondContact O-N 3.28Å; V249-C253 WeakPolarHBondContact O-CB 3.42Å; V249-C253 PolarHBondContact O-N 3.4Å; V249-C253 PolarHBondContact O-SG 2.95Å
250	D	98.9	Very high	98.8	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.016	18%	0.183	C	C	.	.	H	α-helix	trans	-64.5	-37.9	177.6	-60.8	-13.1	0	0	0	110.5	Y245 R247 K248 L254 P320 R339 L343	Y245-D250 VanDerWaalsContact CE2-OD1 3.23Å; Y245-D250 WeakPolarHBondContact CE2-OD1 3.35Å; Y245-D250 PolarHBondContact OH-OD1 3.31Å; R247-D250 WeakPolarHBondContact CD-OD2 3.38Å; R247-D250 WeakPolarHBondContact O-CB 3.47Å; R247-D250 PolarHBondContact O-N 2.87Å; R247-D250 VanDerWaalsContact O-N 3.1Å; K248-D250 VanDerWaalsContact C-N 3.29Å; K248-D250 PolarHBondContact O-N 3.46Å; D250-L254 WeakPolarHBondContact O-CB 3.22Å; D250-L254 PolarHBondContact O-N 3.32Å; D250-P320 HydrophobicContact CB-CB 4Å; D250-R339 WeakPolarHBondContact OD2-CD 3.49Å; D250-R339 IonicContact OD2-CZ 3.72Å; D250-R339 IonicContact OD2-NE 3.82Å; D250-R339 PolarHBondContact OD2-NE 3.47Å; D250-L343 HydrophobicContact CB-CD2 4.1Å
251	V	98.8	Very high	98.8	Very high	16 Å²	16	24.6 Å²	24.6	10%	0.097	15%	0.146	C	C	.	.	H	α-helix	trans	-60.2	-50.4	172.7	176.1	0	0	0	0	110.8	R247 K248 V249 C253 L254 S255 M317 P320 L321 A324	R247-V251 PolarHBondContact O-N 3.41Å; K248-V251 WeakPolarHBondContact O-CB 3.46Å; K248-V251 PolarHBondContact O-N 3.35Å; V249-V251 VanDerWaalsContact C-N 3.29Å; V249-V251 PolarHBondContact O-N 3.03Å; V251-C253 VanDerWaalsContact C-N 3.34Å; V251-C253 PolarHBondContact O-N 2.95Å; V251-L254 PolarHBondContact O-N 3.18Å; V251-S255 WeakPolarHBondContact O-CB 3.48Å; V251-S255 PolarHBondContact O-N 3.39Å; V251-S255 PolarHBondContact O-OG 3.21Å; V251-M317 HydrophobicContact CB-CE 4.25Å; V251-M317 HydrophobicContact CG1-CE 3.65Å; V251-M317 WeakPolarHBondContact O-CE 3.45Å; V251-P320 HydrophobicContact CG2-CB 3.93Å; V251-P320 VanDerWaalsContact CG2-O 3.27Å; V251-P320 WeakPolarHBondContact CG2-O 3.42Å; V251-L321 HydrophobicContact CG1-CD2 3.68Å; V251-L321 HydrophobicContact CG1-CG 4.35Å; V251-L321 HydrophobicContact CG2-CD2 4.33Å; V251-A324 HydrophobicContact CG2-CB 3.97Å
252	D	98.3	Very high	98.8	Very high	80 Å²	80	26.7 Å²	26.7	43%	0.428	16%	0.161	S	C	.	.	H	α-helix	trans	-66.1	-38.5	-175.9	-63.6	-20.7	0	0	0	111	K248 V249	K248-D252 IonicContact NZ-OD1 3.5Å; K248-D252 PolarHBondContact NZ-OD1 3.03Å; K248-D252 IonicContact NZ-OD2 3.28Å; K248-D252 PolarHBondContact NZ-OD2 3.48Å; K248-D252 PolarHBondContact O-N 2.95Å; V249-D252 PolarHBondContact O-N 3.28Å
253	C	98.7	Very high	98.8	Very high	3 Å²	3	26.3 Å²	26.3	2%	0.02	16%	0.155	C	C	.	.	H	α-helix	trans	-63.4	-56.6	173.9	-71.7	0	0	0	0	112.1	F130 V249 V251 S255 S256 L257	F130-C253 HydrophobicContact CE2-CB 4.21Å; F130-C253 HydrophobicContact CZ-CB 3.99Å; V249-C253 WeakPolarHBondContact O-CB 3.42Å; V249-C253 PolarHBondContact O-N 3.4Å; V249-C253 PolarHBondContact O-SG 2.95Å; V251-C253 VanDerWaalsContact C-N 3.34Å; V251-C253 PolarHBondContact O-N 2.95Å; C253-S255 VanDerWaalsContact C-N 3.29Å; C253-S255 PolarHBondContact O-N 2.65Å; C253-S256 PolarHBondContact O-N 2.83Å; C253-S256 PolarHBondContact O-OG 3.5Å; C253-L257 PolarHBondContact O-N 3.31Å
254	L	98.7	Very high	98.8	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.016	15%	0.145	C	C	.	.	H	α-helix	trans	-69.9	-26.3	-175.6	-91.8	59	0	0	0	112.4	D250 V251 S256 L257 A258 M317 P320 L343 S346	D250-L254 WeakPolarHBondContact O-CB 3.22Å; D250-L254 PolarHBondContact O-N 3.32Å; V251-L254 PolarHBondContact O-N 3.18Å; L254-S256 VanDerWaalsContact C-N 3.28Å; L254-S256 PolarHBondContact O-N 3.18Å; L254-L257 PolarHBondContact O-N 3.4Å; L254-A258 WeakPolarHBondContact O-CB 3.02Å; L254-A258 PolarHBondContact O-N 3.22Å; L254-M317 HydrophobicContact CB-SD 3.95Å; L254-P320 HydrophobicContact CB-CG 3.97Å; L254-P320 HydrophobicContact CD2-CB 4.44Å; L254-P320 HydrophobicContact CD2-CG 3.68Å; L254-P320 HydrophobicContact CG-CG 4.43Å; L254-L343 HydrophobicContact CD1-CD2 3.55Å; L254-L343 HydrophobicContact CD2-CD2 4.22Å; L254-S346 WeakPolarHBondContact CD2-OG 3.43Å
255	S	98.8	Very high	98.8	Very high	50 Å²	50	26 Å²	26	35%	0.35	15%	0.153	S	C	.	.	H	α-helix	trans	-61.5	-39.8	174	-64.1	0	0	0	0	111.5	V251 C253 L257 A258 S259 M317	V251-S255 WeakPolarHBondContact O-CB 3.48Å; V251-S255 PolarHBondContact O-N 3.39Å; V251-S255 PolarHBondContact O-OG 3.21Å; C253-S255 VanDerWaalsContact C-N 3.29Å; C253-S255 PolarHBondContact O-N 2.65Å; S255-L257 VanDerWaalsContact C-N 3.32Å; S255-L257 PolarHBondContact O-N 3.49Å; S255-A258 PolarHBondContact O-N 2.98Å; S255-S259 WeakPolarHBondContact O-CB 3.45Å; S255-S259 PolarHBondContact O-N 3.37Å; S255-M317 WeakPolarHBondContact CA-SD 3.3Å; S255-M317 PolarHBondContact N-SD 3.46Å; S255-M317 WeakPolarHBondContact OG-CE 3.43Å; S255-M317 PolarHBondContact OG-SD 2.89Å; S255-M317 VanDerWaalsContact OG-SD 3.39Å
256	S	98.7	Very high	98.8	Very high	7 Å²	7	29.8 Å²	29.8	5%	0.049	17%	0.169	C	C	.	.	H	α-helix	trans	-65.1	-37.7	177.1	77.4	0	0	0	0	111.9	C253 L254 L260	C253-S256 PolarHBondContact O-N 2.83Å; C253-S256 PolarHBondContact O-OG 3.5Å; L254-S256 VanDerWaalsContact C-N 3.28Å; L254-S256 PolarHBondContact O-N 3.18Å; S256-L260 PolarHBondContact O-N 3.47Å
257	L	98.9	Very high	98.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-74.2	-38.6	177.6	-58.1	180	0	0	0	112.1	F130 L133 L188 C253 L254 S255 S259 L260 G261 L313 F347 A350	F130-L257 HydrophobicContact CE1-CD2 4.06Å; F130-L257 HydrophobicContact CE1-CG 4.49Å; L133-L257 HydrophobicContact CD1-CD2 3.75Å; L188-L257 HydrophobicContact CD1-CD2 4.47Å; L188-L257 HydrophobicContact CD2-CD2 4.43Å; L188-L257 HydrophobicContact CG-CD2 4.44Å; C253-L257 PolarHBondContact O-N 3.31Å; L254-L257 PolarHBondContact O-N 3.4Å; S255-L257 VanDerWaalsContact C-N 3.32Å; S255-L257 PolarHBondContact O-N 3.49Å; L257-S259 VanDerWaalsContact C-N 3.35Å; L257-L260 WeakPolarHBondContact O-CB 3.41Å; L257-L260 PolarHBondContact O-N 2.94Å; L257-G261 PolarHBondContact O-N 2.61Å; L257-L313 HydrophobicContact CB-CD1 3.97Å; L257-L313 HydrophobicContact CB-CD2 4.37Å; L257-L313 HydrophobicContact CB-CG 4.31Å; L257-L313 WeakPolarHBondContact O-CD2 3.27Å; L257-L313 WeakPolarHBondContact O-CG 3.28Å; L257-F347 HydrophobicContact CD1-CD1 4.46Å; L257-F347 HydrophobicContact CD1-CD2 3.86Å; L257-F347 HydrophobicContact CD1-CE1 4.43Å; L257-F347 HydrophobicContact CD1-CE2 3.83Å; L257-F347 HydrophobicContact CD1-CG 4.2Å; L257-F347 HydrophobicContact CD1-CZ 4.13Å; L257-A350 HydrophobicContact CD2-CB 4.09Å
258	A	98.9	Very high	98.8	Very high	9 Å²	9	26.1 Å²	26.1	7%	0.074	15%	0.145	C	C	.	.	H	α-helix	trans	-64.7	-38.8	175.3	0	0	0	0	0	111.9	L254 S255 G261 S262 V314 M317	L254-A258 WeakPolarHBondContact O-CB 3.02Å; L254-A258 PolarHBondContact O-N 3.22Å; S255-A258 PolarHBondContact O-N 2.98Å; A258-G261 PolarHBondContact O-N 3.2Å; A258-S262 PolarHBondContact O-N 3.03Å; A258-S262 PolarHBondContact O-OG 2.99Å; A258-V314 WeakPolarHBondContact O-CG2 3.24Å; A258-M317 HydrophobicContact CB-CB 3.91Å; A258-M317 HydrophobicContact CB-CG 4.22Å; A258-M317 HydrophobicContact CB-SD 4.34Å
259	S	98.9	Very high	98.8	Very high	47 Å²	47	22.5 Å²	22.5	33%	0.329	13%	0.132	S	C	.	.	H	α-helix	trans	-57.3	-50.3	170.5	179.4	0	0	0	0	111.1	D184 S255 L257 G261 S262 T263	D184-S259 PolarHBondContact OD1-OG 3.44Å; S255-S259 WeakPolarHBondContact O-CB 3.45Å; S255-S259 PolarHBondContact O-N 3.37Å; L257-S259 VanDerWaalsContact C-N 3.35Å; S259-G261 VanDerWaalsContact C-N 3.26Å; S259-G261 PolarHBondContact O-N 2.89Å; S259-S262 WeakPolarHBondContact O-CA 3.42Å; S259-S262 WeakPolarHBondContact O-CB 3.47Å; S259-S262 PolarHBondContact O-N 3.5Å; S259-T263 PolarHBondContact O-N 3.16Å; S259-T263 PolarHBondContact O-OG1 3.31Å
260	L	98.9	Very high	98.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-56.5	-40.8	175.1	173.8	67.1	0	0	0	112	L137 L181 D184 S256 L257 S262 T263 V264 A350 L354	L137-L260 HydrophobicContact CD1-CD1 4.28Å; L181-L260 HydrophobicContact CD2-CD1 4.2Å; D184-L260 HydrophobicContact CB-CB 4.34Å; D184-L260 HydrophobicContact CB-CD1 4.04Å; D184-L260 PolarHBondContact OD1-N 2.91Å; D184-L260 WeakPolarHBondContact OD2-CA 3.26Å; S256-L260 PolarHBondContact O-N 3.47Å; L257-L260 WeakPolarHBondContact O-CB 3.41Å; L257-L260 PolarHBondContact O-N 2.94Å; L260-S262 VanDerWaalsContact C-N 3.33Å; L260-S262 PolarHBondContact O-N 3.37Å; L260-T263 WeakPolarHBondContact O-CB 3.41Å; L260-T263 PolarHBondContact O-N 2.64Å; L260-V264 HydrophobicContact CD1-CG2 4.03Å; L260-V264 HydrophobicContact CG-CG2 4.34Å; L260-V264 WeakPolarHBondContact O-CG2 3.1Å; L260-V264 PolarHBondContact O-N 3.47Å; L260-A350 HydrophobicContact CD2-CB 4.45Å; L260-L354 HydrophobicContact CD1-CD2 4.14Å; L260-L354 HydrophobicContact CD2-CD1 4.21Å; L260-L354 HydrophobicContact CD2-CD2 4.16Å; L260-L354 HydrophobicContact CD2-CG 4.21Å
261	G	98.9	Very high	98.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-56.5	-44.7	172.7	0	0	0	0	0	112.5	L257 A258 S259 T263 V264 H265 A310	L257-G261 PolarHBondContact O-N 2.61Å; A258-G261 PolarHBondContact O-N 3.2Å; S259-G261 VanDerWaalsContact C-N 3.26Å; S259-G261 PolarHBondContact O-N 2.89Å; G261-T263 PolarHBondContact O-N 2.67Å; G261-V264 PolarHBondContact O-N 3.09Å; G261-H265 VanDerWaalsContact O-CB 3.31Å; G261-H265 WeakPolarHBondContact O-CB 3.49Å; G261-H265 PolarHBondContact O-N 2.87Å; G261-A310 WeakPolarHBondContact O-CB 3.41Å
262	S	98.9	Very high	98.8	Very high	64 Å²	64	26.7 Å²	26.7	45%	0.448	15%	0.147	S	C	.	.	H	α-helix	trans	-61.6	-44.3	176.1	-55.1	0	0	0	0	112.1	A258 S259 L260 H265 K266	A258-S262 PolarHBondContact O-N 3.03Å; A258-S262 PolarHBondContact O-OG 2.99Å; S259-S262 WeakPolarHBondContact O-CA 3.42Å; S259-S262 WeakPolarHBondContact O-CB 3.47Å; S259-S262 PolarHBondContact O-N 3.5Å; L260-S262 VanDerWaalsContact C-N 3.33Å; L260-S262 PolarHBondContact O-N 3.37Å; S262-H265 PolarHBondContact O-N 3.3Å; S262-K266 PolarHBondContact O-N 3.36Å; S262-K266 VanDerWaalsContact O-N 3.09Å
263	T	98.9	Very high	98.9	Very high	11 Å²	11	26 Å²	26	7%	0.067	14%	0.143	C	C	.	.	H	α-helix	trans	-57.3	-55.1	175.7	-61.4	0	0	0	0	111.4	D180 L181 D184 S259 L260 G261 H265 K266 I267	D180-T263 HydrophobicContact CB-CG2 3.5Å; D180-T263 VanDerWaalsContact CB-CG2 3.5Å; L181-T263 HydrophobicContact CD2-CG2 3.68Å; L181-T263 HydrophobicContact CG-CG2 3.89Å; D184-T263 WeakPolarHBondContact OD2-CB 3.46Å; D184-T263 WeakPolarHBondContact OD2-CG2 3.47Å; D184-T263 PolarHBondContact OD2-OG1 3.31Å; S259-T263 PolarHBondContact O-N 3.16Å; S259-T263 PolarHBondContact O-OG1 3.31Å; L260-T263 WeakPolarHBondContact O-CB 3.41Å; L260-T263 PolarHBondContact O-N 2.64Å; G261-T263 PolarHBondContact O-N 2.67Å; T263-H265 VanDerWaalsContact C-N 3.3Å; T263-H265 PolarHBondContact O-N 3.02Å; T263-K266 PolarHBondContact O-N 3.11Å; T263-I267 HydrophobicContact CG2-CD1 3.7Å; T263-I267 HydrophobicContact CG2-CG1 4.45Å; T263-I267 VanDerWaalsContact O-CG1 3.3Å; T263-I267 WeakPolarHBondContact O-CG1 3.24Å; T263-I267 PolarHBondContact O-N 2.89Å
264	V	98.9	Very high	98.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-61.3	-40.8	-178	174.2	0	0	0	0	111.1	L260 G261 K266 I267 C268 C306 A310 V353 L357	L260-V264 HydrophobicContact CD1-CG2 4.03Å; L260-V264 HydrophobicContact CG-CG2 4.34Å; L260-V264 WeakPolarHBondContact O-CG2 3.1Å; L260-V264 PolarHBondContact O-N 3.47Å; G261-V264 PolarHBondContact O-N 3.09Å; V264-K266 VanDerWaalsContact C-N 3.34Å; V264-K266 PolarHBondContact O-N 3.31Å; V264-I267 PolarHBondContact O-N 3.41Å; V264-C268 WeakPolarHBondContact O-CB 3.36Å; V264-C268 PolarHBondContact O-N 2.84Å; V264-C306 HydrophobicContact CG1-CB 3.91Å; V264-A310 HydrophobicContact CB-CB 4.3Å; V264-A310 HydrophobicContact CG1-CB 4.31Å; V264-V353 HydrophobicContact CG1-CB 4.21Å; V264-V353 HydrophobicContact CG2-CG2 4.4Å; V264-L357 HydrophobicContact CG1-CD2 4.37Å; V264-L357 HydrophobicContact CG2-CD2 3.95Å
265	H	98.9	Very high	98.8	Very high	49 Å²	49	26.8 Å²	26.8	23%	0.227	15%	0.15	C	C	.	.	H	α-helix	trans	-60	-45.4	178.2	-167.1	-60.4	0	0	0	111.7	G261 S262 T263 T269 C307 A310	G261-H265 VanDerWaalsContact O-CB 3.31Å; G261-H265 WeakPolarHBondContact O-CB 3.49Å; G261-H265 PolarHBondContact O-N 2.87Å; S262-H265 PolarHBondContact O-N 3.3Å; T263-H265 VanDerWaalsContact C-N 3.3Å; T263-H265 PolarHBondContact O-N 3.02Å; H265-T269 PolarHBondContact ND1-OG1 3.29Å; H265-T269 VanDerWaalsContact O-CB 3.29Å; H265-T269 WeakPolarHBondContact O-CB 3.4Å; H265-T269 PolarHBondContact O-N 3Å; H265-T269 PolarHBondContact O-OG1 3.48Å; H265-C307 PolarHBondContact CD2-O 3.29Å; H265-C307 PolarHBondContact O-SG 2.98Å; H265-A310 HydrophobicContact CB-CB 4.11Å
266	K	98.9	Very high	98.8	Very high	79 Å²	79	29.6 Å²	29.6	34%	0.343	16%	0.161	S	C	.	.	H	α-helix	trans	-63.5	-47.5	178.1	-177.2	-92.7	-173.4	-73	0	111.8	S262 T263 V264 T269 D270	S262-K266 PolarHBondContact O-N 3.36Å; S262-K266 VanDerWaalsContact O-N 3.09Å; T263-K266 PolarHBondContact O-N 3.11Å; V264-K266 VanDerWaalsContact C-N 3.34Å; V264-K266 PolarHBondContact O-N 3.31Å; K266-T269 PolarHBondContact O-N 3.12Å; K266-D270 IonicContact NZ-OD1 3.04Å; K266-D270 PolarHBondContact NZ-OD1 2.96Å; K266-D270 IonicContact NZ-OD2 3.6Å; K266-D270 PolarHBondContact NZ-OD2 3.4Å; K266-D270 PolarHBondContact O-N 3.44Å
267	I	98.9	Very high	98.8	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-58.9	-51.8	179.1	-64.8	170.9	0	0	0	110.4	W177 L181 T263 V264 T269 D270 I271 L357	W177-I267 HydrophobicContact CB-CD1 3.77Å; W177-I267 HydrophobicContact CB-CG1 3.65Å; W177-I267 HydrophobicContact CB-CG2 4.42Å; W177-I267 HydrophobicContact CD2-CG2 4.06Å; W177-I267 HydrophobicContact CE3-CG2 4.24Å; W177-I267 HydrophobicContact CG-CB 4.36Å; W177-I267 HydrophobicContact CG-CD1 4.38Å; W177-I267 HydrophobicContact CG-CG1 3.72Å; W177-I267 HydrophobicContact CG-CG2 4.12Å; L181-I267 HydrophobicContact CD1-CD1 3.9Å; L181-I267 HydrophobicContact CD2-CD1 4.18Å; L181-I267 HydrophobicContact CG-CD1 3.9Å; T263-I267 HydrophobicContact CG2-CD1 3.7Å; T263-I267 HydrophobicContact CG2-CG1 4.45Å; T263-I267 VanDerWaalsContact O-CG1 3.3Å; T263-I267 WeakPolarHBondContact O-CG1 3.24Å; T263-I267 PolarHBondContact O-N 2.89Å; V264-I267 PolarHBondContact O-N 3.41Å; I267-T269 VanDerWaalsContact C-N 3.28Å; I267-T269 PolarHBondContact O-N 3.05Å; I267-D270 WeakPolarHBondContact O-CB 3.32Å; I267-D270 PolarHBondContact O-N 3.46Å; I267-I271 HydrophobicContact CG2-CD1 3.97Å; I267-I271 WeakPolarHBondContact O-CG1 3.45Å; I267-I271 PolarHBondContact O-N 2.94Å; I267-L357 HydrophobicContact CG2-CD1 4.25Å
268	C	98.9	Very high	98.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-68.7	-28.3	-178.3	-70.4	0	0	0	0	112.6	V264 I271 R272 A303 C306 C307	V264-C268 WeakPolarHBondContact O-CB 3.36Å; V264-C268 PolarHBondContact O-N 2.84Å; C268-I271 PolarHBondContact O-N 3.5Å; C268-R272 VanDerWaalsContact O-CD 3.26Å; C268-R272 WeakPolarHBondContact O-CD 3.36Å; C268-R272 WeakPolarHBondContact O-CG 3.31Å; C268-R272 PolarHBondContact O-N 3.49Å; C268-A303 HydrophobicContact CB-CB 3.93Å; C268-A303 WeakPolarHBondContact CB-O 3.3Å; C268-C306 HydrophobicContact CB-CB 4.1Å; C268-C306 WeakPolarHBondContact SG-CB 3.3Å; C268-C307 VanDerWaalsContact CB-SG 3.5Å
269	T	98.9	Very high	98.7	Very high	39 Å²	39	36.5 Å²	36.5	24%	0.239	19%	0.19	C	C	.	.	H	α-helix	trans	-65.4	-45.4	170.9	-64.9	0	0	0	0	111.4	H265 K266 I267 I271 R272 L273	H265-T269 PolarHBondContact ND1-OG1 3.29Å; H265-T269 VanDerWaalsContact O-CB 3.29Å; H265-T269 WeakPolarHBondContact O-CB 3.4Å; H265-T269 PolarHBondContact O-N 3Å; H265-T269 PolarHBondContact O-OG1 3.48Å; K266-T269 PolarHBondContact O-N 3.12Å; I267-T269 VanDerWaalsContact C-N 3.28Å; I267-T269 PolarHBondContact O-N 3.05Å; T269-I271 VanDerWaalsContact C-N 3.33Å; T269-I271 PolarHBondContact O-N 2.89Å; T269-R272 PolarHBondContact O-N 3.44Å; T269-L273 HydrophobicContact CG2-CD1 4.46Å; T269-L273 WeakPolarHBondContact O-CG 3.27Å; T269-L273 PolarHBondContact O-N 3.32Å
270	D	98.9	Very high	98.7	Very high	33 Å²	33	34.3 Å²	34.3	18%	0.176	17%	0.174	C	C	.	.	H	α-helix	trans	-59.3	-44.4	174.8	-72.7	2.4	0	0	0	111.2	W177 K266 I267 R272 L273 L274	W177-D270 HydrophobicContact CZ2-CB 3.77Å; W177-D270 PolarHBondContact NE1-OD2 3.01Å; K266-D270 IonicContact NZ-OD1 3.04Å; K266-D270 PolarHBondContact NZ-OD1 2.96Å; K266-D270 IonicContact NZ-OD2 3.6Å; K266-D270 PolarHBondContact NZ-OD2 3.4Å; K266-D270 PolarHBondContact O-N 3.44Å; I267-D270 WeakPolarHBondContact O-CB 3.32Å; I267-D270 PolarHBondContact O-N 3.46Å; D270-R272 VanDerWaalsContact C-N 3.3Å; D270-R272 PolarHBondContact O-N 3.45Å; D270-L273 PolarHBondContact O-N 3.48Å; D270-L274 VanDerWaalsContact O-CG 3.28Å; D270-L274 WeakPolarHBondContact O-CG 3.21Å; D270-L274 PolarHBondContact O-N 2.87Å
271	I	98.8	Very high	98.6	Very high	1 Å²	1	36 Å²	36	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-59.7	-41.6	177.8	-67.6	168	0	0	0	111	W177 I267 C268 T269 L273 L274 A275 A303 I360 L364	W177-I271 HydrophobicContact CH2-CG1 4.21Å; I267-I271 HydrophobicContact CG2-CD1 3.97Å; I267-I271 WeakPolarHBondContact O-CG1 3.45Å; I267-I271 PolarHBondContact O-N 2.94Å; C268-I271 PolarHBondContact O-N 3.5Å; T269-I271 VanDerWaalsContact C-N 3.33Å; T269-I271 PolarHBondContact O-N 2.89Å; I271-L273 VanDerWaalsContact C-N 3.35Å; I271-L273 PolarHBondContact O-N 3.29Å; I271-L274 PolarHBondContact O-N 3.39Å; I271-A275 WeakPolarHBondContact O-CB 3.27Å; I271-A275 PolarHBondContact O-N 3.38Å; I271-A303 HydrophobicContact CG2-CB 4.27Å; I271-I360 HydrophobicContact CD1-CG2 3.96Å; I271-L364 HydrophobicContact CD1-CD2 4.33Å
272	R	98.8	Very high	98.4	Very high	84 Å²	84	36.6 Å²	36.6	32%	0.317	19%	0.185	S	C	.	.	H	α-helix	trans	-64	-38.5	177	-70.6	160	61.6	-140.3	-4.6	112.4	C268 T269 D270 N276 P300 A303 E304	C268-R272 VanDerWaalsContact O-CD 3.26Å; C268-R272 WeakPolarHBondContact O-CD 3.36Å; C268-R272 WeakPolarHBondContact O-CG 3.31Å; C268-R272 PolarHBondContact O-N 3.49Å; T269-R272 PolarHBondContact O-N 3.44Å; D270-R272 VanDerWaalsContact C-N 3.3Å; D270-R272 PolarHBondContact O-N 3.45Å; R272-N276 PolarHBondContact O-N 3.3Å; R272-N276 VanDerWaalsContact O-N 3.16Å; R272-P300 HydrophobicContact CB-CG 4.18Å; R272-P300 HydrophobicContact CG-CB 3.95Å; R272-P300 HydrophobicContact CG-CG 3.72Å; R272-A303 HydrophobicContact CG-CB 3.88Å; R272-E304 HydrophobicContact CG-CG 4.26Å
273	L	98.8	Very high	98	Very high	65 Å²	65	34.4 Å²	34.4	34%	0.34	17%	0.169	S	C	.	.	H	α-helix	trans	-66.8	-43.4	174.1	-66	172.9	0	0	0	111.2	Y162 T269 D270 I271 A275 N276 L277	Y162-L273 HydrophobicContact CD2-CD1 4.38Å; Y162-L273 HydrophobicContact CE1-CD2 4.37Å; Y162-L273 HydrophobicContact CE2-CB 4.13Å; Y162-L273 HydrophobicContact CE2-CD1 4.2Å; Y162-L273 HydrophobicContact CE2-CD2 4.37Å; Y162-L273 HydrophobicContact CE2-CG 4.47Å; T269-L273 HydrophobicContact CG2-CD1 4.46Å; T269-L273 WeakPolarHBondContact O-CG 3.27Å; T269-L273 PolarHBondContact O-N 3.32Å; D270-L273 PolarHBondContact O-N 3.48Å; I271-L273 VanDerWaalsContact C-N 3.35Å; I271-L273 PolarHBondContact O-N 3.29Å; L273-A275 VanDerWaalsContact C-N 3.29Å; L273-A275 PolarHBondContact O-N 3.15Å; L273-N276 WeakPolarHBondContact O-CB 3.25Å; L273-N276 PolarHBondContact O-N 3.33Å; L273-N276 VanDerWaalsContact O-N 3.14Å; L273-L277 WeakPolarHBondContact O-CG 3.33Å; L273-L277 PolarHBondContact O-N 2.65Å; L273-L277 VanDerWaalsContact O-N 3.09Å
274	L	98.7	Very high	97.4	Very high	8 Å²	8	37 Å²	37	4%	0.042	18%	0.18	C	C	.	.	H	α-helix	trans	-66.1	-31.7	177.6	-66.6	166.3	0	0	0	112.6	W177 D270 I271 L277 K278 E279 I280	W177-L274 HydrophobicContact CH2-CD1 4.13Å; W177-L274 HydrophobicContact CZ2-CD1 4.21Å; D270-L274 VanDerWaalsContact O-CG 3.28Å; D270-L274 WeakPolarHBondContact O-CG 3.21Å; D270-L274 PolarHBondContact O-N 2.87Å; I271-L274 PolarHBondContact O-N 3.39Å; L274-L277 HydrophobicContact CD2-CD1 4.4Å; L274-L277 CarbonylContact O-C 3.09Å; L274-L277 PolarHBondContact O-N 3.02Å; L274-K278 PolarHBondContact O-N 3.32Å; L274-E279 HydrophobicContact CD2-CB 4.39Å; L274-E279 PolarHBondContact O-N 3.4Å; L274-I280 CarbonylContact C-O 3.47Å; L274-I280 HydrophobicContact CB-CB 3.98Å; L274-I280 HydrophobicContact CB-CG1 4.38Å; L274-I280 HydrophobicContact CD1-CB 4.5Å; L274-I280 HydrophobicContact CD1-CD1 3.94Å; L274-I280 HydrophobicContact CD1-CG1 4.36Å; L274-I280 PolarHBondContact O-N 2.91Å
275	A	97.9	Very high	96.4	Very high	16 Å²	16	41.7 Å²	41.7	13%	0.132	20%	0.202	C	C	.	.	H	α-helix	trans	-67.1	-38.7	172.3	0	0	0	0	0	111.7	I271 L273 L277 K278 I280 P300	I271-A275 WeakPolarHBondContact O-CB 3.27Å; I271-A275 PolarHBondContact O-N 3.38Å; L273-A275 VanDerWaalsContact C-N 3.29Å; L273-A275 PolarHBondContact O-N 3.15Å; A275-L277 VanDerWaalsContact C-N 3.31Å; A275-L277 PolarHBondContact O-N 3.32Å; A275-K278 PolarHBondContact O-N 2.92Å; A275-I280 WeakPolarHBondContact CA-O 3.39Å; A275-I280 PolarHBondContact N-O 3.4Å; A275-I280 VanDerWaalsContact N-O 3.12Å; A275-P300 HydrophobicContact CB-CB 4.28Å; A275-P300 HydrophobicContact CB-CG 4.32Å
276	N	98.3	Very high	95.3	Very high	109 Å²	109	49.4 Å²	49.4	58%	0.583	23%	0.234	S	C	*	.	H	α-helix	trans	-59.7	-43.8	171.9	174.3	-96.9	0	0	0	111.6	R272 L273 K278	R272-N276 PolarHBondContact O-N 3.3Å; R272-N276 VanDerWaalsContact O-N 3.16Å; L273-N276 WeakPolarHBondContact O-CB 3.25Å; L273-N276 PolarHBondContact O-N 3.33Å; L273-N276 VanDerWaalsContact O-N 3.14Å; N276-K278 PolarHBondContact O-N 3.24Å; N276-K278 PolarHBondContact O-NZ 2.86Å; N276-K278 VanDerWaalsContact O-NZ 3.08Å
277	L	98.1	Very high	94.4	Very high	33 Å²	33	54.1 Å²	54.1	17%	0.173	26%	0.258	C	S	.	.	H	α-helix	trans	-69.3	-12.2	174.1	-62	174.8	0	0	0	113.1	F159 Y162 L273 L274 A275 E279 V370 H374	F159-L277 HydrophobicContact CE2-CD1 3.81Å; F159-L277 HydrophobicContact CZ-CD1 3.75Å; Y162-L277 HydrophobicContact CE2-CD1 4.4Å; L273-L277 WeakPolarHBondContact O-CG 3.33Å; L273-L277 PolarHBondContact O-N 2.65Å; L273-L277 VanDerWaalsContact O-N 3.09Å; L274-L277 HydrophobicContact CD2-CD1 4.4Å; L274-L277 CarbonylContact O-C 3.09Å; L274-L277 PolarHBondContact O-N 3.02Å; A275-L277 VanDerWaalsContact C-N 3.31Å; A275-L277 PolarHBondContact O-N 3.32Å; L277-E279 HydrophobicContact CB-CB 4.47Å; L277-E279 HydrophobicContact CB-CG 3.92Å; L277-E279 PolarHBondContact O-N 3.38Å; L277-V370 WeakPolarHBondContact O-CG1 3.12Å; L277-H374 PolarHBondContact O-CE1 3.08Å
278	K	98.1	Very high	93.4	Very high	126 Å²	126	55.8 Å²	55.8	55%	0.548	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	27	-174.4	-53.1	161.6	-167.2	61.4	0	112.5	L274 A275 N276 Y367 V370	L274-K278 PolarHBondContact O-N 3.32Å; A275-K278 PolarHBondContact O-N 2.92Å; N276-K278 PolarHBondContact O-N 3.24Å; N276-K278 PolarHBondContact O-NZ 2.86Å; N276-K278 VanDerWaalsContact O-NZ 3.08Å; K278-Y367 WeakPolarHBondContact O-CB 3.15Å; K278-Y367 WeakPolarHBondContact O-CD2 3.39Å; K278-V370 HydrophobicContact CB-CG1 4.21Å
279	E	98.4	Very high	91.7	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.005	30%	0.299	C	S	.	.	S	Bend	trans	-88.4	-40	176.4	-69.3	-170.9	-173.5	0	0	111	T156 L274 L277 Y367 V370 I371 H374	T156-E279 PolarHBondContact OG1-OE2 3.47Å; T156-E279 VanDerWaalsContact OG1-OE2 3.13Å; L274-E279 HydrophobicContact CD2-CB 4.39Å; L274-E279 PolarHBondContact O-N 3.4Å; L277-E279 HydrophobicContact CB-CB 4.47Å; L277-E279 HydrophobicContact CB-CG 3.92Å; L277-E279 PolarHBondContact O-N 3.38Å; E279-Y367 PolarHBondContact O-N 3.31Å; E279-V370 HydrophobicContact CG-CG1 4.38Å; E279-I371 HydrophobicContact CB-CD1 4.26Å; E279-I371 HydrophobicContact CB-CG1 3.74Å; E279-I371 HydrophobicContact CG-CG1 3.62Å; E279-H374 IonicContact OE1-CE1 2.84Å; E279-H374 IonicContact OE1-CG 2.68Å; E279-H374 IonicContact OE1-ND1 3.6Å; E279-H374 PolarHBondContact OE1-ND1 3.39Å
280	I	98.3	Very high	90.1	Very high	2 Å²	2	61.4 Å²	61.4	1%	0.01	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	133.5	178.6	-52.9	-171.3	0	0	0	109.4	F147 V170 L274 A275 L364 V365 V366	F147-I280 HydrophobicContact CZ-CD1 4.17Å; V170-I280 HydrophobicContact CG1-CD1 3.99Å; L274-I280 CarbonylContact C-O 3.47Å; L274-I280 HydrophobicContact CB-CB 3.98Å; L274-I280 HydrophobicContact CB-CG1 4.38Å; L274-I280 HydrophobicContact CD1-CB 4.5Å; L274-I280 HydrophobicContact CD1-CD1 3.94Å; L274-I280 HydrophobicContact CD1-CG1 4.36Å; L274-I280 PolarHBondContact O-N 2.91Å; A275-I280 WeakPolarHBondContact CA-O 3.39Å; A275-I280 PolarHBondContact N-O 3.4Å; A275-I280 VanDerWaalsContact N-O 3.12Å; I280-L364 HydrophobicContact CG2-CB 4.45Å; I280-L364 HydrophobicContact CG2-CD2 3.9Å; I280-V365 CarbonylContact C-O 3.6Å; I280-V365 VanDerWaalsContact CA-O 3.22Å; I280-V365 WeakPolarHBondContact CA-O 3Å; I280-V366 HydrophobicContact CD1-CG2 4.41Å; I280-V366 HydrophobicContact CG1-CG2 4.34Å
281	E	96.8	Very high	88.6	Confident	36 Å²	36	61.2 Å²	61.2	17%	0.168	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	153.1	172.5	-74.5	179.6	159.3	0	0	111	R298 V365 Y367	E281-R298 IonicContact OE2-NH1 3.41Å; E281-V365 PolarHBondContact N-O 2.91Å; E281-V365 PolarHBondContact O-N 3.12Å; E281-Y367 HydrophobicContact CB-CE2 4.09Å; E281-Y367 HydrophobicContact CG-CE2 3.78Å; E281-Y367 WeakPolarHBondContact OE2-CE2 3.36Å; E281-Y367 PolarHBondContact OE2-OH 2.94Å
282	E	95.3	Very high	87.2	Confident	11 Å²	11	67.3 Å²	67.3	5%	0.051	34%	0.342	C	S	.	.			trans	-70.2	157.6	167.3	70.1	178.1	-146.3	0	0	110.9	F284 P300 M301 R302 A303 I360	E282-F284 PolarHBondContact O-N 2.99Å; E282-P300 VanDerWaalsContact CD-C 3.41Å; E282-P300 VanDerWaalsContact OE2-CA 3.25Å; E282-P300 WeakPolarHBondContact OE2-CA 3.46Å; E282-M301 PolarHBondContact OE1-N 2.89Å; E282-R302 WeakPolarHBondContact OE1-CB 3.46Å; E282-R302 WeakPolarHBondContact OE1-CG 3.48Å; E282-R302 PolarHBondContact OE1-N 3.17Å; E282-R302 WeakPolarHBondContact OE2-CB 3.36Å; E282-R302 PolarHBondContact OE2-N 2.88Å; E282-R302 VanDerWaalsContact OE2-N 3.15Å; E282-A303 PolarHBondContact OE2-N 3.31Å; E282-I360 HydrophobicContact CB-CG2 4.42Å
283	P	91.4	Very high	85.7	Confident	19 Å²	19	67.2 Å²	67.2	12%	0.123	36%	0.359	C	S	.	.			trans	-57.4	140.1	177.6	10	-18.7	0	0	0	112.2	N359 I360 G363	P283-N359 VanDerWaalsContact CG-O 3.31Å; P283-N359 WeakPolarHBondContact CG-O 3.1Å; P283-I360 WeakPolarHBondContact CD-O 3.5Å; P283-G363 WeakPolarHBondContact CA-O 3.4Å; P283-G363 WeakPolarHBondContact CB-O 3.29Å; P283-G363 WeakPolarHBondContact CD-O 3.44Å
284	F	84.8	Confident	84.2	Confident	65 Å²	65	67.1 Å²	67.1	29%	0.285	36%	0.357	S	S	.	.			trans	-123.2	119.3	-178	-165.3	-93.2	0	0	0	109.8	E282 Q288 R298	E282-F284 PolarHBondContact O-N 2.99Å; F284-Q288 HydrophobicContact CD1-CB 4.22Å; F284-Q288 HydrophobicContact CD2-CB 4.38Å; F284-Q288 HydrophobicContact CD2-CG 4.13Å; F284-Q288 HydrophobicContact CE1-CB 3.88Å; F284-Q288 HydrophobicContact CE1-CG 4.47Å; F284-Q288 WeakPolarHBondContact CE1-O 3.43Å; F284-Q288 HydrophobicContact CE2-CB 4.05Å; F284-Q288 HydrophobicContact CE2-CG 3.72Å; F284-Q288 HydrophobicContact CG-CB 4.47Å; F284-Q288 HydrophobicContact CZ-CB 3.81Å; F284-Q288 HydrophobicContact CZ-CG 3.93Å; F284-Q288 WeakPolarHBondContact CZ-O 3.28Å; F284-R298 HydrophobicContact CD2-CB 4.48Å; F284-R298 HydrophobicContact CD2-CG 4.06Å; F284-R298 HydrophobicContact CE2-CB 4.41Å; F284-R298 HydrophobicContact CE2-CG 3.87Å; F284-R298 HydrophobicContact CZ-CG 4.26Å
285	E	78.8	Confident	83	Confident	98 Å²	98	73.1 Å²	73.1	46%	0.458	40%	0.397	S	S	.	.			trans	-73	154.1	-179	-75.2	167.1	-148.9	0	0	112.1	E287 Q288 R302	E285-E287 PolarHBondContact O-N 3.32Å; E285-Q288 HydrophobicContact CB-CB 4.01Å; E285-Q288 WeakPolarHBondContact O-CB 3.27Å; E285-Q288 PolarHBondContact O-N 3.44Å; E285-Q288 VanDerWaalsContact O-N 3.08Å; E285-R302 IonicContact OE1-CZ 2.84Å; E285-R302 IonicContact OE1-NH1 3.07Å; E285-R302 IonicContact OE1-NH2 2.93Å; E285-R302 PolarHBondContact OE1-NH2 2.81Å
286	K	76.1	Confident	82	Confident	211 Å²	211	81.4 Å²	81.4	92%	0.917	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-36.2	-173.8	-172	-177.2	176.6	-170.9	0	113
287	E	78.8	Confident	81.3	Confident	179 Å²	179	80.3 Å²	80.3	84%	0.836	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	3.3	-178	-60.8	-176.3	178.4	0	0	112.8	E285 I289	E285-E287 PolarHBondContact O-N 3.32Å; E287-I289 PolarHBondContact O-N 2.83Å
288	Q	78.9	Confident	80.8	Confident	35 Å²	35	84.7 Å²	84.7	16%	0.164	43%	0.43	C	S	.	.			trans	-66.7	129.5	-177	-173.4	173.7	-18.3	0	0	110.8	F284 E285	F284-Q288 HydrophobicContact CD1-CB 4.22Å; F284-Q288 HydrophobicContact CD2-CB 4.38Å; F284-Q288 HydrophobicContact CD2-CG 4.13Å; F284-Q288 HydrophobicContact CE1-CB 3.88Å; F284-Q288 HydrophobicContact CE1-CG 4.47Å; F284-Q288 WeakPolarHBondContact CE1-O 3.43Å; F284-Q288 HydrophobicContact CE2-CB 4.05Å; F284-Q288 HydrophobicContact CE2-CG 3.72Å; F284-Q288 HydrophobicContact CG-CB 4.47Å; F284-Q288 HydrophobicContact CZ-CB 3.81Å; F284-Q288 HydrophobicContact CZ-CG 3.93Å; F284-Q288 WeakPolarHBondContact CZ-O 3.28Å; E285-Q288 HydrophobicContact CB-CB 4.01Å; E285-Q288 WeakPolarHBondContact O-CB 3.27Å; E285-Q288 PolarHBondContact O-N 3.44Å; E285-Q288 VanDerWaalsContact O-N 3.08Å
289	I	63.2	Low	80.5	Confident	137 Å²	137	81.1 Å²	81.1	70%	0.703	42%	0.417	S	S	*	.			trans	-97.7	113.7	172.4	-61.2	176.9	0	0	0	108.1	E287 S291	E287-I289 PolarHBondContact O-N 2.83Å; I289-S291 WeakPolarHBondContact CG2-O 3.47Å
290	G	64.5	Low	80.4	Confident	21 Å²	21	82 Å²	82	22%	0.216	42%	0.423	C	S	.	.	S	Bend	trans	-75.9	-28.8	-178.2	0	0	0	0	0	114.4	K297 N299	G290-K297 CarbonylContact C-O 3.59Å; G290-K297 WeakPolarHBondContact CA-O 3.34Å; G290-N299 PolarHBondContact O-ND2 3.31Å
291	S	68	Low	80.2	Confident	28 Å²	28	85.5 Å²	85.5	20%	0.196	44%	0.44	C	S	.	.			trans	-154	140.9	176.2	177.9	0	0	0	0	110.5	I289 A293 M294	I289-S291 WeakPolarHBondContact CG2-O 3.47Å; S291-A293 PolarHBondContact O-N 2.88Å; S291-A293 PolarHBondContact OG-N 3.36Å; S291-M294 PolarHBondContact OG-N 3.02Å
292	S	70.3	Confident	80.2	Confident	130 Å²	130	84.4 Å²	84.4	91%	0.909	43%	0.434	S	S	*	.	S	Bend	trans	-66	-17.2	175.9	53.3	0	0	0	0	114.2
293	A	65.8	Low	80.3	Confident	81 Å²	81	83.9 Å²	83.9	67%	0.669	43%	0.432	S	S	*	.	S	Bend	trans	-123.6	-19.6	-174.7	0	0	0	0	0	114.6	S291	S291-A293 PolarHBondContact O-N 2.88Å; S291-A293 PolarHBondContact OG-N 3.36Å
294	M	68.5	Low	80.7	Confident	64 Å²	64	87 Å²	87	32%	0.315	45%	0.445	S	S	.	.			trans	-125.2	98.3	-174.1	-70.3	178.6	-79.6	0	0	111.2	S291 Y296 K297	S291-M294 PolarHBondContact OG-N 3.02Å; M294-Y296 VanDerWaalsContact C-N 3.26Å; M294-Y296 HydrophobicContact CB-CE1 4.28Å; M294-Y296 HydrophobicContact CG-CE1 4.48Å; M294-Y296 PolarHBondContact O-N 3.41Å; M294-K297 HydrophobicContact CB-CB 3.78Å; M294-K297 HydrophobicContact CE-CD 3.43Å; M294-K297 VanDerWaalsContact CE-CD 3.43Å; M294-K297 WeakPolarHBondContact O-CB 3.46Å; M294-K297 PolarHBondContact O-N 3.48Å; M294-K297 VanDerWaalsContact O-N 3.07Å; M294-K297 HydrophobicContact SD-CD 4.07Å
295	P	72.6	Confident	81.3	Confident	134 Å²	134	85.4 Å²	85.4	87%	0.87	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-22.3	-171.2	24.8	-34	0	0	0	114.4
296	Y	76.9	Confident	82.3	Confident	190 Å²	190	80.8 Å²	80.8	75%	0.745	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-11.8	177.1	66	-95.2	0	0	0	113.5	M294 R298	M294-Y296 VanDerWaalsContact C-N 3.26Å; M294-Y296 HydrophobicContact CB-CE1 4.28Å; M294-Y296 HydrophobicContact CG-CE1 4.48Å; M294-Y296 PolarHBondContact O-N 3.41Å; Y296-R298 PolarHBondContact O-N 2.84Å
297	K	83.8	Confident	83.3	Confident	86 Å²	86	70.9 Å²	70.9	37%	0.374	37%	0.373	S	S	.	.			trans	-85.6	112.6	-169.9	-174	174	-179.5	174.6	0	110.7	G290 M294 N299	G290-K297 CarbonylContact C-O 3.59Å; G290-K297 WeakPolarHBondContact CA-O 3.34Å; M294-K297 HydrophobicContact CB-CB 3.78Å; M294-K297 HydrophobicContact CE-CD 3.43Å; M294-K297 VanDerWaalsContact CE-CD 3.43Å; M294-K297 WeakPolarHBondContact O-CB 3.46Å; M294-K297 PolarHBondContact O-N 3.48Å; M294-K297 VanDerWaalsContact O-N 3.07Å; M294-K297 HydrophobicContact SD-CD 4.07Å; K297-N299 WeakPolarHBondContact CE-OD1 3.21Å
298	R	86.9	Confident	84.3	Confident	125 Å²	125	65.6 Å²	65.6	47%	0.472	36%	0.355	S	S	.	.			trans	-101	127.4	169.5	-64.6	-176.1	174.9	175.4	-2.7	109.5	E281 F284 Y296	E281-R298 IonicContact OE2-NH1 3.41Å; F284-R298 HydrophobicContact CD2-CB 4.48Å; F284-R298 HydrophobicContact CD2-CG 4.06Å; F284-R298 HydrophobicContact CE2-CB 4.41Å; F284-R298 HydrophobicContact CE2-CG 3.87Å; F284-R298 HydrophobicContact CZ-CG 4.26Å; Y296-R298 PolarHBondContact O-N 2.84Å
299	N	92.9	Very high	85.2	Confident	51 Å²	51	65 Å²	65	27%	0.273	35%	0.353	S	S	.	.			trans	-111.2	141.8	-179.7	-63.9	-52.3	0	0	0	109.8	G290 K297 M301	G290-N299 PolarHBondContact O-ND2 3.31Å; K297-N299 WeakPolarHBondContact CE-OD1 3.21Å; N299-M301 PolarHBondContact O-N 2.73Å
300	P	95.6	Very high	86.9	Confident	19 Å²	19	58.5 Å²	58.5	12%	0.123	32%	0.32	C	S	.	.			trans	-77.1	57.7	176.1	34.6	-37.5	0	0	0	111.8	R272 A275 E282 R302 A303 E304	R272-P300 HydrophobicContact CB-CG 4.18Å; R272-P300 HydrophobicContact CG-CB 3.95Å; R272-P300 HydrophobicContact CG-CG 3.72Å; A275-P300 HydrophobicContact CB-CB 4.28Å; A275-P300 HydrophobicContact CB-CG 4.32Å; E282-P300 VanDerWaalsContact CD-C 3.41Å; E282-P300 VanDerWaalsContact OE2-CA 3.25Å; E282-P300 WeakPolarHBondContact OE2-CA 3.46Å; P300-R302 VanDerWaalsContact C-N 3.35Å; P300-R302 PolarHBondContact O-N 3.03Å; P300-A303 HydrophobicContact CB-CB 4.29Å; P300-A303 PolarHBondContact O-N 3.05Å; P300-E304 WeakPolarHBondContact O-CB 3.31Å; P300-E304 VanDerWaalsContact O-CG 3.29Å; P300-E304 WeakPolarHBondContact O-CG 3.36Å; P300-E304 PolarHBondContact O-N 3.43Å
301	M	95.2	Very high	88.6	Confident	76 Å²	76	64.1 Å²	64.1	37%	0.374	34%	0.335	S	S	.	.	H	α-helix	trans	-68.4	-29.8	-170.3	63	113.2	80.6	0	0	113.3	E282 N299 R305	E282-M301 PolarHBondContact OE1-N 2.89Å; N299-M301 PolarHBondContact O-N 2.73Å; M301-R305 WeakPolarHBondContact O-CB 3.48Å; M301-R305 PolarHBondContact O-N 2.9Å
302	R	95.8	Very high	90	Very high	12 Å²	12	66 Å²	66	5%	0.045	34%	0.34	C	S	.	.	H	α-helix	trans	-70.4	-45.4	175.1	-59.1	173.4	-173.9	-174.1	0.5	109.6	E282 E285 P300 R305 C306 T356 N359 I360 L484	E282-R302 WeakPolarHBondContact OE1-CB 3.46Å; E282-R302 WeakPolarHBondContact OE1-CG 3.48Å; E282-R302 PolarHBondContact OE1-N 3.17Å; E282-R302 WeakPolarHBondContact OE2-CB 3.36Å; E282-R302 PolarHBondContact OE2-N 2.88Å; E282-R302 VanDerWaalsContact OE2-N 3.15Å; E285-R302 IonicContact OE1-CZ 2.84Å; E285-R302 IonicContact OE1-NH1 3.07Å; E285-R302 IonicContact OE1-NH2 2.93Å; E285-R302 PolarHBondContact OE1-NH2 2.81Å; P300-R302 VanDerWaalsContact C-N 3.35Å; P300-R302 PolarHBondContact O-N 3.03Å; R302-R305 PolarHBondContact O-N 3.04Å; R302-C306 PolarHBondContact O-N 3.16Å; R302-C306 PolarHBondContact O-SG 3.39Å; R302-T356 HydrophobicContact CB-CG2 3.98Å; R302-N359 PolarHBondContact NH1-OD1 3.43Å; R302-I360 HydrophobicContact CB-CD1 3.75Å; R302-I360 HydrophobicContact CB-CG1 3.74Å; R302-L484 HydrophobicContact CG-CD1 4.43Å
303	A	98.3	Very high	91.4	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-63.7	-39.9	174.6	0	0	0	0	0	112.1	C268 I271 R272 E282 P300 C306 C307 I360	C268-A303 HydrophobicContact CB-CB 3.93Å; C268-A303 WeakPolarHBondContact CB-O 3.3Å; I271-A303 HydrophobicContact CG2-CB 4.27Å; R272-A303 HydrophobicContact CG-CB 3.88Å; E282-A303 PolarHBondContact OE2-N 3.31Å; P300-A303 HydrophobicContact CB-CB 4.29Å; P300-A303 PolarHBondContact O-N 3.05Å; A303-C306 WeakPolarHBondContact O-CB 3.1Å; A303-C306 PolarHBondContact O-N 3.1Å; A303-C307 PolarHBondContact O-N 3.3Å; A303-C307 PolarHBondContact O-SG 3.24Å; A303-I360 HydrophobicContact CB-CD1 4.3Å
304	E	98.6	Very high	92.9	Very high	85 Å²	85	58.8 Å²	58.8	40%	0.397	28%	0.282	S	S	.	.	H	α-helix	trans	-62.3	-43.2	175.1	-75.5	174.1	149	0	0	112.5	R272 P300 C307 S308	R272-E304 HydrophobicContact CG-CG 4.26Å; P300-E304 WeakPolarHBondContact O-CB 3.31Å; P300-E304 VanDerWaalsContact O-CG 3.29Å; P300-E304 WeakPolarHBondContact O-CG 3.36Å; P300-E304 PolarHBondContact O-N 3.43Å; E304-C307 PolarHBondContact O-N 3.33Å; E304-S308 PolarHBondContact O-N 3.28Å
305	R	98.1	Very high	94.4	Very high	32 Å²	32	58.7 Å²	58.7	12%	0.121	29%	0.291	C	S	.	.	H	α-helix	trans	-62.7	-42.2	174	172.5	168	39.6	160.8	-6	111.9	M301 R302 S308 L309	M301-R305 WeakPolarHBondContact O-CB 3.48Å; M301-R305 PolarHBondContact O-N 2.9Å; R302-R305 PolarHBondContact O-N 3.04Å; R305-S308 WeakPolarHBondContact O-CB 3.36Å; R305-S308 PolarHBondContact O-N 3.48Å; R305-L309 HydrophobicContact CG-CD1 4.01Å; R305-L309 PolarHBondContact O-N 3.39Å
306	C	98.7	Very high	95.6	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.007	25%	0.253	C	S	.	.	H	α-helix	trans	-57.4	-50.4	172.8	-70	0	0	0	0	111.1	V264 C268 R302 A303 S308 L309 A310 T356	V264-C306 HydrophobicContact CG1-CB 3.91Å; C268-C306 HydrophobicContact CB-CB 4.1Å; C268-C306 WeakPolarHBondContact SG-CB 3.3Å; R302-C306 PolarHBondContact O-N 3.16Å; R302-C306 PolarHBondContact O-SG 3.39Å; A303-C306 WeakPolarHBondContact O-CB 3.1Å; A303-C306 PolarHBondContact O-N 3.1Å; C306-S308 VanDerWaalsContact C-N 3.27Å; C306-S308 PolarHBondContact O-N 2.78Å; C306-L309 PolarHBondContact O-N 3.18Å; C306-A310 WeakPolarHBondContact O-CB 3.37Å; C306-A310 PolarHBondContact O-N 2.72Å; C306-T356 VanDerWaalsContact SG-CB 3.58Å; C306-T356 WeakPolarHBondContact SG-CG2 3.35Å
307	C	98.9	Very high	96.6	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.02	22%	0.223	C	C	.	.	H	α-helix	trans	-57.9	-38.4	175.5	-69.6	0	0	0	0	112.7	H265 C268 A303 E304 R311	H265-C307 PolarHBondContact CD2-O 3.29Å; H265-C307 PolarHBondContact O-SG 2.98Å; C268-C307 VanDerWaalsContact CB-SG 3.5Å; A303-C307 PolarHBondContact O-N 3.3Å; A303-C307 PolarHBondContact O-SG 3.24Å; E304-C307 PolarHBondContact O-N 3.33Å; C307-R311 WeakPolarHBondContact O-CB 3.47Å; C307-R311 PolarHBondContact O-N 3.13Å
308	S	98.8	Very high	97.3	Very high	67 Å²	67	42.9 Å²	42.9	47%	0.469	22%	0.223	S	C	.	.	H	α-helix	trans	-65.1	-52.1	-179.8	-164.8	0	0	0	0	111.9	E304 R305 C306 R311 H312	E304-S308 PolarHBondContact O-N 3.28Å; R305-S308 WeakPolarHBondContact O-CB 3.36Å; R305-S308 PolarHBondContact O-N 3.48Å; C306-S308 VanDerWaalsContact C-N 3.27Å; C306-S308 PolarHBondContact O-N 2.78Å; S308-R311 WeakPolarHBondContact O-CB 3.11Å; S308-R311 PolarHBondContact O-N 3.45Å; S308-H312 PolarHBondContact O-N 3.23Å
309	L	98.7	Very high	97.9	Very high	23 Å²	23	39 Å²	39	12%	0.12	21%	0.211	C	C	.	.	H	α-helix	trans	-71.9	-38.4	-178.5	-71.9	175.2	0	0	0	112.2	L19 R305 C306 R311 H312 L313 T349 I352 V353	L19-L309 HydrophobicContact CD2-CD2 4.06Å; R305-L309 HydrophobicContact CG-CD1 4.01Å; R305-L309 PolarHBondContact O-N 3.39Å; C306-L309 PolarHBondContact O-N 3.18Å; L309-R311 PolarHBondContact O-N 3.2Å; L309-H312 WeakPolarHBondContact O-CB 3.24Å; L309-H312 PolarHBondContact O-N 3.07Å; L309-L313 PolarHBondContact O-N 3.33Å; L309-T349 HydrophobicContact CB-CG2 3.93Å; L309-T349 WeakPolarHBondContact O-CG2 3.39Å; L309-I352 HydrophobicContact CD1-CB 4.16Å; L309-I352 HydrophobicContact CD1-CG2 3.37Å; L309-V353 HydrophobicContact CB-CG1 3.62Å
310	A	98.8	Very high	98.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.7	-33.7	174.7	0	0	0	0	0	112.2	G261 V264 H265 C306 L313 V314	G261-A310 WeakPolarHBondContact O-CB 3.41Å; V264-A310 HydrophobicContact CB-CB 4.3Å; V264-A310 HydrophobicContact CG1-CB 4.31Å; H265-A310 HydrophobicContact CB-CB 4.11Å; C306-A310 WeakPolarHBondContact O-CB 3.37Å; C306-A310 PolarHBondContact O-N 2.72Å; A310-L313 WeakPolarHBondContact O-CB 3.36Å; A310-L313 PolarHBondContact O-N 2.97Å; A310-V314 WeakPolarHBondContact O-CG2 3.46Å; A310-V314 PolarHBondContact O-N 3.28Å; A310-V314 VanDerWaalsContact O-N 3.1Å
311	R	98.8	Very high	98.3	Very high	139 Å²	139	40.2 Å²	40.2	53%	0.525	22%	0.216	S	C	.	.	H	α-helix	trans	-65.5	-40.1	172.9	-170.2	-172.3	-60.6	105.9	-2.6	112.3	C307 S308 L309 L313 V314 A315	C307-R311 WeakPolarHBondContact O-CB 3.47Å; C307-R311 PolarHBondContact O-N 3.13Å; S308-R311 WeakPolarHBondContact O-CB 3.11Å; S308-R311 PolarHBondContact O-N 3.45Å; L309-R311 PolarHBondContact O-N 3.2Å; R311-L313 VanDerWaalsContact C-N 3.33Å; R311-V314 PolarHBondContact O-N 3.21Å; R311-A315 PolarHBondContact O-N 3.12Å
312	H	98.7	Very high	98.5	Very high	67 Å²	67	42.4 Å²	42.4	31%	0.31	23%	0.225	S	C	.	.	H	α-helix	trans	-61.4	-44.7	173.9	-173	55.6	0	0	0	110.8	S308 L309 V314 A315 L316 E345	S308-H312 PolarHBondContact O-N 3.23Å; L309-H312 WeakPolarHBondContact O-CB 3.24Å; L309-H312 PolarHBondContact O-N 3.07Å; H312-V314 VanDerWaalsContact C-N 3.29Å; H312-V314 PolarHBondContact O-N 3.32Å; H312-A315 WeakPolarHBondContact O-CB 3.2Å; H312-A315 PolarHBondContact O-N 3.24Å; H312-L316 WeakPolarHBondContact O-CG 3.5Å; H312-L316 PolarHBondContact O-N 3.16Å; H312-E345 IonicContact CE1-OE2 3.91Å; H312-E345 IonicContact NE2-OE2 3.15Å; H312-E345 PolarHBondContact NE2-OE2 3.35Å
313	L	98.4	Very high	98.6	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-58.8	-39	178.1	-168.4	55.7	0	0	0	112.9	L257 L309 A310 R311 S346 T349 A350	L257-L313 HydrophobicContact CB-CD1 3.97Å; L257-L313 HydrophobicContact CB-CD2 4.37Å; L257-L313 HydrophobicContact CB-CG 4.31Å; L257-L313 WeakPolarHBondContact O-CD2 3.27Å; L257-L313 WeakPolarHBondContact O-CG 3.28Å; L309-L313 PolarHBondContact O-N 3.33Å; A310-L313 WeakPolarHBondContact O-CB 3.36Å; A310-L313 PolarHBondContact O-N 2.97Å; R311-L313 VanDerWaalsContact C-N 3.33Å; L313-S346 WeakPolarHBondContact CD1-O 3.4Å; L313-T349 HydrophobicContact CB-CG2 3.91Å; L313-A350 HydrophobicContact CD2-CB 3.99Å
314	V	98.8	Very high	98.7	Very high	58 Å²	58	43.9 Å²	43.9	35%	0.352	24%	0.239	S	C	.	.	H	α-helix	trans	-66.5	-42.5	173	174.8	0	0	0	0	111.4	A258 A310 R311 H312 L316 M317	A258-V314 WeakPolarHBondContact O-CG2 3.24Å; A310-V314 WeakPolarHBondContact O-CG2 3.46Å; A310-V314 PolarHBondContact O-N 3.28Å; A310-V314 VanDerWaalsContact O-N 3.1Å; R311-V314 PolarHBondContact O-N 3.21Å; H312-V314 VanDerWaalsContact C-N 3.29Å; H312-V314 PolarHBondContact O-N 3.32Å; V314-L316 PolarHBondContact O-N 3.19Å; V314-M317 WeakPolarHBondContact O-CB 3.11Å; V314-M317 PolarHBondContact O-N 2.88Å
315	A	98.7	Very high	98.7	Very high	62 Å²	62	44.3 Å²	44.3	51%	0.512	25%	0.251	S	S	.	.	H	α-helix	trans	-65.4	-36.2	-177.3	0	0	0	0	0	113	R311 H312 M317 A318	R311-A315 PolarHBondContact O-N 3.12Å; H312-A315 WeakPolarHBondContact O-CB 3.2Å; H312-A315 PolarHBondContact O-N 3.24Å; A315-M317 PolarHBondContact O-N 3.21Å; A315-M317 VanDerWaalsContact O-N 3.08Å; A315-A318 PolarHBondContact O-N 3.24Å
316	L	98.5	Very high	98.7	Very high	11 Å²	11	45.8 Å²	45.8	6%	0.058	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-16.8	178.4	-72.8	174.3	0	0	0	113.6	H312 V314 A318 D319 P320 E345 S346	H312-L316 WeakPolarHBondContact O-CG 3.5Å; H312-L316 PolarHBondContact O-N 3.16Å; V314-L316 PolarHBondContact O-N 3.19Å; L316-A318 PolarHBondContact O-N 3.34Å; L316-D319 WeakPolarHBondContact O-CB 3.31Å; L316-D319 PolarHBondContact O-N 2.73Å; L316-P320 VanDerWaalsContact O-CD 3.25Å; L316-P320 WeakPolarHBondContact O-CD 3.24Å; L316-E345 HydrophobicContact CD1-CB 3.9Å; L316-S346 WeakPolarHBondContact CD1-OG 3.18Å
317	M	98.1	Very high	98.7	Very high	23 Å²	23	47.8 Å²	47.8	11%	0.113	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-27.3	178	-170.2	57.2	-132.7	0	0	113.5	V251 L254 S255 A258 V314 A315 D319 P320 L321	V251-M317 HydrophobicContact CB-CE 4.25Å; V251-M317 HydrophobicContact CG1-CE 3.65Å; V251-M317 WeakPolarHBondContact O-CE 3.45Å; L254-M317 HydrophobicContact CB-SD 3.95Å; S255-M317 WeakPolarHBondContact CA-SD 3.3Å; S255-M317 PolarHBondContact N-SD 3.46Å; S255-M317 WeakPolarHBondContact OG-CE 3.43Å; S255-M317 PolarHBondContact OG-SD 2.89Å; S255-M317 VanDerWaalsContact OG-SD 3.39Å; A258-M317 HydrophobicContact CB-CB 3.91Å; A258-M317 HydrophobicContact CB-CG 4.22Å; A258-M317 HydrophobicContact CB-SD 4.34Å; V314-M317 WeakPolarHBondContact O-CB 3.11Å; V314-M317 PolarHBondContact O-N 2.88Å; A315-M317 PolarHBondContact O-N 3.21Å; A315-M317 VanDerWaalsContact O-N 3.08Å; M317-D319 PolarHBondContact O-N 2.94Å; M317-P320 HydrophobicContact CE-CG 3.86Å; M317-P320 WeakPolarHBondContact O-CD 3.39Å; M317-P320 WeakPolarHBondContact O-CG 3.18Å; M317-P320 HydrophobicContact SD-CG 4.43Å; M317-L321 HydrophobicContact CE-CD1 3.95Å; M317-L321 HydrophobicContact CE-CD2 4.2Å; M317-L321 HydrophobicContact CE-CG 3.64Å; M317-L321 HydrophobicContact CG-CD1 4.13Å
318	A	98.6	Very high	98.7	Very high	45 Å²	45	56.6 Å²	56.6	37%	0.372	31%	0.306	S	S	.	.	H	α-helix	trans	-65.1	-28.6	-179.8	0	0	0	0	0	112.6	A315 L316 Q322	A315-A318 PolarHBondContact O-N 3.24Å; L316-A318 PolarHBondContact O-N 3.34Å; A318-Q322 WeakPolarHBondContact O-CB 3.47Å; A318-Q322 VanDerWaalsContact O-CG 3.31Å; A318-Q322 WeakPolarHBondContact O-CG 3.25Å; A318-Q322 PolarHBondContact O-N 3.37Å; A318-Q322 VanDerWaalsContact O-N 3.12Å; A318-Q322 PolarHBondContact O-NE2 2.9Å
319	D	98.8	Very high	98.7	Very high	42 Å²	42	61 Å²	61	23%	0.225	32%	0.323	C	S	.	.	H	α-helix	trans	-62.1	-63.3	-178.3	-83.2	-29.1	0	0	0	112.7	L316 M317 L321 Q322 T323 N338 S342	L316-D319 WeakPolarHBondContact O-CB 3.31Å; L316-D319 PolarHBondContact O-N 2.73Å; M317-D319 PolarHBondContact O-N 2.94Å; D319-L321 VanDerWaalsContact C-N 3.25Å; D319-L321 PolarHBondContact O-N 3.27Å; D319-Q322 PolarHBondContact O-N 2.94Å; D319-T323 WeakPolarHBondContact O-CB 3.31Å; D319-T323 PolarHBondContact O-N 3.11Å; D319-T323 PolarHBondContact O-OG1 3.01Å; D319-N338 WeakPolarHBondContact CB-OD1 3.11Å; D319-N338 PolarHBondContact OD1-ND2 3.25Å; D319-S342 WeakPolarHBondContact OD2-CB 3.36Å
320	P	98.8	Very high	98.7	Very high	4 Å²	4	64.7 Å²	64.7	3%	0.026	34%	0.34	C	S	.	.	H	α-helix	trans	-64.7	-29.3	-177.6	29.3	-39.5	0	0	0	112.6	D250 V251 L254 L316 M317 A324	D250-P320 HydrophobicContact CB-CB 4Å; V251-P320 HydrophobicContact CG2-CB 3.93Å; V251-P320 VanDerWaalsContact CG2-O 3.27Å; V251-P320 WeakPolarHBondContact CG2-O 3.42Å; L254-P320 HydrophobicContact CB-CG 3.97Å; L254-P320 HydrophobicContact CD2-CB 4.44Å; L254-P320 HydrophobicContact CD2-CG 3.68Å; L254-P320 HydrophobicContact CG-CG 4.43Å; L316-P320 VanDerWaalsContact O-CD 3.25Å; L316-P320 WeakPolarHBondContact O-CD 3.24Å; M317-P320 HydrophobicContact CE-CG 3.86Å; M317-P320 WeakPolarHBondContact O-CD 3.39Å; M317-P320 WeakPolarHBondContact O-CG 3.18Å; M317-P320 HydrophobicContact SD-CG 4.43Å; P320-A324 WeakPolarHBondContact O-CB 3.33Å; P320-A324 PolarHBondContact O-N 3.1Å
321	L	98.8	Very high	98.6	Very high	93 Å²	93	66.5 Å²	66.5	49%	0.487	35%	0.347	S	S	.	.	H	α-helix	trans	-62.1	-49.4	174.7	-77.7	168.1	0	0	0	111.3	V251 M317 D319 S325	V251-L321 HydrophobicContact CG1-CD2 3.68Å; V251-L321 HydrophobicContact CG1-CG 4.35Å; V251-L321 HydrophobicContact CG2-CD2 4.33Å; M317-L321 HydrophobicContact CE-CD1 3.95Å; M317-L321 HydrophobicContact CE-CD2 4.2Å; M317-L321 HydrophobicContact CE-CG 3.64Å; M317-L321 HydrophobicContact CG-CD1 4.13Å; D319-L321 VanDerWaalsContact C-N 3.25Å; D319-L321 PolarHBondContact O-N 3.27Å; L321-S325 WeakPolarHBondContact O-CB 3.29Å; L321-S325 PolarHBondContact O-N 3.07Å; L321-S325 PolarHBondContact O-OG 3.48Å
322	Q	98.9	Very high	98.6	Very high	121 Å²	121	61 Å²	61	57%	0.565	33%	0.329	S	S	*	.	H	α-helix	trans	-66.3	-49.6	178.1	-72.9	172.4	89.4	0	0	110.6	A318 D319 A324 S325 V326	A318-Q322 WeakPolarHBondContact O-CB 3.47Å; A318-Q322 VanDerWaalsContact O-CG 3.31Å; A318-Q322 WeakPolarHBondContact O-CG 3.25Å; A318-Q322 PolarHBondContact O-N 3.37Å; A318-Q322 VanDerWaalsContact O-N 3.12Å; A318-Q322 PolarHBondContact O-NE2 2.9Å; D319-Q322 PolarHBondContact O-N 2.94Å; Q322-A324 PolarHBondContact O-N 3.16Å; Q322-S325 PolarHBondContact O-N 3.45Å; Q322-S325 VanDerWaalsContact O-N 3.13Å; Q322-S325 PolarHBondContact O-OG 3.2Å; Q322-V326 WeakPolarHBondContact O-CG2 3.33Å; Q322-V326 PolarHBondContact O-N 3.34Å
323	T	98.9	Very high	98.6	Very high	12 Å²	12	64 Å²	64	7%	0.074	35%	0.347	C	S	.	.	H	α-helix	trans	-56.4	-46.8	-179.9	-67.1	0	0	0	0	112.5	D319 S325 Q327 D335	D319-T323 WeakPolarHBondContact O-CB 3.31Å; D319-T323 PolarHBondContact O-N 3.11Å; D319-T323 PolarHBondContact O-OG1 3.01Å; T323-S325 VanDerWaalsContact C-N 3.32Å; T323-S325 PolarHBondContact O-N 3.42Å; T323-Q327 PolarHBondContact O-N 3.01Å; T323-D335 HydrophobicContact CG2-CB 3.31Å
324	A	98.8	Very high	98.6	Very high	31 Å²	31	68 Å²	68	26%	0.256	37%	0.368	S	S	.	.	H	α-helix	trans	-67	-34.5	179.6	0	0	0	0	0	112.5	R247 V251 P320 Q322 V326	R247-A324 HydrophobicContact CB-CB 4.05Å; V251-A324 HydrophobicContact CG2-CB 3.97Å; P320-A324 WeakPolarHBondContact O-CB 3.33Å; P320-A324 PolarHBondContact O-N 3.1Å; Q322-A324 PolarHBondContact O-N 3.16Å; A324-V326 VanDerWaalsContact C-N 3.26Å; A324-V326 PolarHBondContact O-N 2.91Å
325	S	98.7	Very high	98.6	Very high	94 Å²	94	65.2 Å²	65.2	66%	0.657	35%	0.351	S	S	*	.	H	α-helix	trans	-69.1	-22.6	-176.6	74.6	0	0	0	0	114.2	L321 Q322 T323	L321-S325 WeakPolarHBondContact O-CB 3.29Å; L321-S325 PolarHBondContact O-N 3.07Å; L321-S325 PolarHBondContact O-OG 3.48Å; Q322-S325 PolarHBondContact O-N 3.45Å; Q322-S325 VanDerWaalsContact O-N 3.13Å; Q322-S325 PolarHBondContact O-OG 3.2Å; T323-S325 VanDerWaalsContact C-N 3.32Å; T323-S325 PolarHBondContact O-N 3.42Å
326	V	98.7	Very high	98.6	Very high	64 Å²	64	63.6 Å²	63.6	39%	0.388	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	9.6	-175.6	-57.4	0	0	0	0	113.9	Q322 A324 W328	Q322-V326 WeakPolarHBondContact O-CG2 3.33Å; Q322-V326 PolarHBondContact O-N 3.34Å; A324-V326 VanDerWaalsContact C-N 3.26Å; A324-V326 PolarHBondContact O-N 2.91Å; V326-W328 PolarHBondContact O-N 3.26Å; V326-W328 VanDerWaalsContact O-N 3.15Å; V326-W328 PolarHBondContact O-NE1 3.05Å
327	Q	98.7	Very high	98.6	Very high	42 Å²	42	66.4 Å²	66.4	20%	0.196	36%	0.361	C	S	.	.			trans	-63.4	116.2	170.4	-81	-62.5	-67.8	0	0	110.1	R247 T323 T332	R247-Q327 HydrophobicContact CG-CG 4.11Å; T323-Q327 PolarHBondContact O-N 3.01Å; Q327-T332 PolarHBondContact NE2-O 2.9Å; Q327-T332 PolarHBondContact NE2-OG1 3.38Å
328	W	98.4	Very high	98.6	Very high	188 Å²	188	67.1 Å²	67.1	71%	0.712	37%	0.365	S	S	*	.			trans	-86.1	126.1	178.4	-49.9	-25.6	0	0	0	110.9	V326 E330 R331 T332	V326-W328 PolarHBondContact O-N 3.26Å; V326-W328 VanDerWaalsContact O-N 3.15Å; V326-W328 PolarHBondContact O-NE1 3.05Å; W328-E330 PolarHBondContact O-N 3.43Å; W328-R331 CarbonylContact O-C 3.48Å; W328-R331 PolarHBondContact O-N 2.96Å; W328-R331 VanDerWaalsContact O-N 3.13Å; W328-T332 HydrophobicContact CB-CG2 3.55Å; W328-T332 HydrophobicContact CD2-CG2 3.79Å; W328-T332 HydrophobicContact CE3-CG2 3.6Å; W328-T332 HydrophobicContact CG-CG2 3.81Å; W328-T332 HydrophobicContact CZ3-CG2 4.5Å; W328-T332 PolarHBondContact N-OG1 3.47Å
329	L	98.4	Very high	98.6	Very high	159 Å²	159	65.8 Å²	65.8	83%	0.832	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	-128.8	173.7	-53.4	176.4	0	0	0	111.7	R331	L329-R331 VanDerWaalsContact C-N 3.33Å; L329-R331 PolarHBondContact O-N 3.06Å
330	E	98.6	Very high	98.6	Very high	102 Å²	102	69.9 Å²	69.9	48%	0.477	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-23	-177.5	-69.1	67	-140.1	0	0	113.6	Q243 W328	Q243-E330 PolarHBondContact N-O 2.91Å; W328-E330 PolarHBondContact O-N 3.43Å
331	R	98.6	Very high	98.6	Very high	38 Å²	38	74 Å²	74	14%	0.143	38%	0.384	C	S	.	.			trans	177.9	144.8	-179.8	-166.9	61.9	173.8	85.7	23.6	116	Q243 T244 W328 L329 D335	Q243-R331 HydrophobicContact CB-CB 3.74Å; Q243-R331 HydrophobicContact CB-CG 4.07Å; T244-R331 VanDerWaalsContact CG2-CD 3.42Å; W328-R331 CarbonylContact O-C 3.48Å; W328-R331 PolarHBondContact O-N 2.96Å; W328-R331 VanDerWaalsContact O-N 3.13Å; L329-R331 VanDerWaalsContact C-N 3.33Å; L329-R331 PolarHBondContact O-N 3.06Å; R331-D335 IonicContact CZ-OD1 3.65Å; R331-D335 IonicContact CZ-OD2 2.78Å; R331-D335 IonicContact NE-OD2 2.97Å; R331-D335 IonicContact NH1-OD1 2.82Å; R331-D335 PolarHBondContact NH1-OD1 2.95Å; R331-D335 IonicContact NH1-OD2 3.8Å; R331-D335 PolarHBondContact NH1-OD2 3.29Å; R331-D335 IonicContact NH2-OD1 3.48Å; R331-D335 PolarHBondContact NH2-OD1 3.22Å; R331-D335 IonicContact NH2-OD2 3.87Å; R331-D335 PolarHBondContact NH2-OD2 3.25Å
332	T	98.4	Very high	98.6	Very high	24 Å²	24	69.6 Å²	69.6	15%	0.147	36%	0.361	C	S	.	.			trans	-137.7	128.9	159.2	49.3	0	0	0	0	113.6	Q327 W328 D334	Q327-T332 PolarHBondContact NE2-O 2.9Å; Q327-T332 PolarHBondContact NE2-OG1 3.38Å; W328-T332 HydrophobicContact CB-CG2 3.55Å; W328-T332 HydrophobicContact CD2-CG2 3.79Å; W328-T332 HydrophobicContact CE3-CG2 3.6Å; W328-T332 HydrophobicContact CG-CG2 3.81Å; W328-T332 HydrophobicContact CZ3-CG2 4.5Å; W328-T332 PolarHBondContact N-OG1 3.47Å; T332-D334 WeakPolarHBondContact CB-OD1 3.25Å; T332-D334 PolarHBondContact O-N 3.26Å; T332-D334 PolarHBondContact OG1-OD1 3.31Å
333	L	98.4	Very high	98.6	Very high	129 Å²	129	64.1 Å²	64.1	68%	0.675	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	1.5	-166.9	-160.1	63.4	0	0	0	116.4	D335 S336	L333-D335 PolarHBondContact O-N 3.1Å; L333-S336 VanDerWaalsContact O-CB 3.3Å; L333-S336 WeakPolarHBondContact O-CB 3.31Å; L333-S336 PolarHBondContact O-N 2.98Å; L333-S336 VanDerWaalsContact O-N 3.09Å
334	D	98.4	Very high	98.6	Very high	85 Å²	85	64.9 Å²	64.9	46%	0.455	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-20.2	180	59.8	-65.4	0	0	0	114.4	T332 S336	T332-D334 WeakPolarHBondContact CB-OD1 3.25Å; T332-D334 PolarHBondContact O-N 3.26Å; T332-D334 PolarHBondContact OG1-OD1 3.31Å; D334-S336 VanDerWaalsContact C-N 3.32Å; D334-S336 PolarHBondContact O-N 3.36Å
335	D	98.7	Very high	98.6	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-67.3	-25.2	169.3	72.2	-34.9	0	0	0	114	R247 T323 R331 L333 A337 N338 R339	R247-D335 IonicContact CZ-OD2 3.4Å; R247-D335 VanDerWaalsContact CZ-OD2 3.28Å; R247-D335 IonicContact NE-OD2 2.99Å; R247-D335 PolarHBondContact NE-OD2 3.45Å; R247-D335 IonicContact NH2-OD2 3.7Å; R247-D335 PolarHBondContact NH2-OD2 2.89Å; T323-D335 HydrophobicContact CG2-CB 3.31Å; R331-D335 IonicContact CZ-OD1 3.65Å; R331-D335 IonicContact CZ-OD2 2.78Å; R331-D335 IonicContact NE-OD2 2.97Å; R331-D335 IonicContact NH1-OD1 2.82Å; R331-D335 PolarHBondContact NH1-OD1 2.95Å; R331-D335 IonicContact NH1-OD2 3.8Å; R331-D335 PolarHBondContact NH1-OD2 3.29Å; R331-D335 IonicContact NH2-OD1 3.48Å; R331-D335 PolarHBondContact NH2-OD1 3.22Å; R331-D335 IonicContact NH2-OD2 3.87Å; R331-D335 PolarHBondContact NH2-OD2 3.25Å; L333-D335 PolarHBondContact O-N 3.1Å; D335-A337 PolarHBondContact O-N 3.08Å; D335-N338 PolarHBondContact O-N 3.31Å; D335-R339 HydrophobicContact CB-CG 4.38Å; D335-R339 WeakPolarHBondContact O-CB 3.2Å; D335-R339 VanDerWaalsContact O-CG 3.24Å; D335-R339 WeakPolarHBondContact O-CG 3.13Å; D335-R339 PolarHBondContact O-N 3.12Å; D335-R339 WeakPolarHBondContact OD2-CD 3.41Å
336	S	98.4	Very high	98.6	Very high	29 Å²	29	61.1 Å²	61.1	20%	0.203	31%	0.307	C	S	.	.	H	α-helix	trans	-67.7	-46.5	-160.4	176.6	0	0	0	0	111.3	L333 D334 R340	L333-S336 VanDerWaalsContact O-CB 3.3Å; L333-S336 WeakPolarHBondContact O-CB 3.31Å; L333-S336 PolarHBondContact O-N 2.98Å; L333-S336 VanDerWaalsContact O-N 3.09Å; D334-S336 VanDerWaalsContact C-N 3.32Å; D334-S336 PolarHBondContact O-N 3.36Å; S336-R340 WeakPolarHBondContact O-CD 3.38Å; S336-R340 WeakPolarHBondContact O-CG 3.23Å; S336-R340 PolarHBondContact O-N 3.28Å
337	A	98.5	Very high	98.6	Very high	69 Å²	69	58.1 Å²	58.1	57%	0.57	29%	0.289	S	S	*	.	H	α-helix	trans	-67.9	-42.3	177.5	0	0	0	0	0	111.4	D335 R340	D335-A337 PolarHBondContact O-N 3.08Å; A337-R340 PolarHBondContact O-N 2.97Å
338	N	98.8	Very high	98.6	Very high	38 Å²	38	56.5 Å²	56.5	20%	0.203	28%	0.282	C	S	.	.	H	α-helix	trans	-62.2	-49.5	-179.5	-176.3	-78.8	0	0	0	111.4	D319 D335 R340 I341 S342	D319-N338 WeakPolarHBondContact CB-OD1 3.11Å; D319-N338 PolarHBondContact OD1-ND2 3.25Å; D335-N338 PolarHBondContact O-N 3.31Å; N338-R340 PolarHBondContact O-N 2.88Å; N338-I341 WeakPolarHBondContact O-CA 3.3Å; N338-I341 WeakPolarHBondContact O-CB 3.46Å; N338-I341 PolarHBondContact O-N 2.66Å; N338-S342 PolarHBondContact O-N 3.18Å; N338-S342 PolarHBondContact O-OG 3.41Å; N338-S342 VanDerWaalsContact O-OG 3.11Å; N338-S342 PolarHBondContact OD1-OG 3.22Å
339	R	98.8	Very high	98.7	Very high	18 Å²	18	47.6 Å²	47.6	7%	0.068	25%	0.248	C	C	.	.	H	α-helix	trans	-63.6	-27.6	-178.4	-70	170	67.5	-99	-2.9	113.5	D122 Y245 D250 D335 I341 L343 P344	D122-R339 IonicContact OD2-CZ 3.2Å; D122-R339 IonicContact OD2-NH1 3.65Å; D122-R339 PolarHBondContact OD2-NH1 3.13Å; D122-R339 IonicContact OD2-NH2 2.9Å; D122-R339 PolarHBondContact OD2-NH2 2.97Å; Y245-R339 PolarHBondContact OH-NH2 3.34Å; D250-R339 WeakPolarHBondContact OD2-CD 3.49Å; D250-R339 IonicContact OD2-CZ 3.72Å; D250-R339 IonicContact OD2-NE 3.82Å; D250-R339 PolarHBondContact OD2-NE 3.47Å; D335-R339 HydrophobicContact CB-CG 4.38Å; D335-R339 WeakPolarHBondContact O-CB 3.2Å; D335-R339 VanDerWaalsContact O-CG 3.24Å; D335-R339 WeakPolarHBondContact O-CG 3.13Å; D335-R339 PolarHBondContact O-N 3.12Å; D335-R339 WeakPolarHBondContact OD2-CD 3.41Å; R339-I341 PolarHBondContact O-N 3.44Å; R339-L343 HydrophobicContact CB-CD1 3.99Å; R339-L343 HydrophobicContact CB-CG 4.22Å; R339-L343 HydrophobicContact CG-CD1 4.36Å; R339-L343 WeakPolarHBondContact O-CB 3.31Å; R339-L343 WeakPolarHBondContact O-CG 3.47Å; R339-L343 PolarHBondContact O-N 3.14Å; R339-P344 WeakPolarHBondContact O-CD 3.16Å
340	R	98.6	Very high	98.7	Very high	128 Å²	128	40 Å²	40	48%	0.483	21%	0.208	S	C	.	.	H	α-helix	trans	-67.5	-17.1	173.1	-71.8	167.1	-170.8	-105.3	4	112.9	D89 S336 A337 N338 P344	D89-R340 IonicContact OD2-CZ 3.05Å; D89-R340 IonicContact OD2-NH1 3.47Å; D89-R340 IonicContact OD2-NH2 3.6Å; D89-R340 PolarHBondContact OD2-NH2 3.31Å; S336-R340 WeakPolarHBondContact O-CD 3.38Å; S336-R340 WeakPolarHBondContact O-CG 3.23Å; S336-R340 PolarHBondContact O-N 3.28Å; A337-R340 PolarHBondContact O-N 2.97Å; N338-R340 PolarHBondContact O-N 2.88Å; R340-P344 WeakPolarHBondContact O-CG 3.4Å
341	I	98.7	Very high	98.7	Very high	90 Å²	90	35.1 Å²	35.1	46%	0.462	19%	0.185	S	C	.	.	H	α-helix	trans	-103.2	-59.3	176.7	-58.7	168.5	0	0	0	109.3	N338 R339 L343 P344 E345	N338-I341 WeakPolarHBondContact O-CA 3.3Å; N338-I341 WeakPolarHBondContact O-CB 3.46Å; N338-I341 PolarHBondContact O-N 2.66Å; R339-I341 PolarHBondContact O-N 3.44Å; I341-L343 PolarHBondContact O-N 3.1Å; I341-P344 WeakPolarHBondContact O-CD 3.39Å; I341-E345 HydrophobicContact CG2-CG 4.3Å; I341-E345 VanDerWaalsContact O-CB 3.28Å; I341-E345 WeakPolarHBondContact O-CB 3.43Å; I341-E345 VanDerWaalsContact O-CG 3.27Å; I341-E345 WeakPolarHBondContact O-CG 3.35Å; I341-E345 PolarHBondContact O-N 2.73Å
342	S	98.6	Very high	98.7	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.007	18%	0.179	C	C	.	.	H	α-helix	trans	-65.7	-38.7	-168.2	58	0	0	0	0	113.3	D319 N338 S346	D319-S342 WeakPolarHBondContact OD2-CB 3.36Å; N338-S342 PolarHBondContact O-N 3.18Å; N338-S342 PolarHBondContact O-OG 3.41Å; N338-S342 VanDerWaalsContact O-OG 3.11Å; N338-S342 PolarHBondContact OD1-OG 3.22Å; S342-S346 VanDerWaalsContact O-CB 3.27Å; S342-S346 WeakPolarHBondContact O-CB 3.45Å; S342-S346 PolarHBondContact O-N 3.41Å; S342-S346 VanDerWaalsContact O-N 3.15Å; S342-S346 PolarHBondContact O-OG 2.76Å
343	L	98.8	Very high	98.7	Very high	6 Å²	6	32.3 Å²	32.3	3%	0.031	17%	0.172	C	C	.	.	H	α-helix	trans	-69.4	-57.5	179.4	-50.6	177.5	0	0	0	111.3	D250 L254 R339 I341 E345 S346 F347	D250-L343 HydrophobicContact CB-CD2 4.1Å; L254-L343 HydrophobicContact CD1-CD2 3.55Å; L254-L343 HydrophobicContact CD2-CD2 4.22Å; R339-L343 HydrophobicContact CB-CD1 3.99Å; R339-L343 HydrophobicContact CB-CG 4.22Å; R339-L343 HydrophobicContact CG-CD1 4.36Å; R339-L343 WeakPolarHBondContact O-CB 3.31Å; R339-L343 WeakPolarHBondContact O-CG 3.47Å; R339-L343 PolarHBondContact O-N 3.14Å; I341-L343 PolarHBondContact O-N 3.1Å; L343-E345 PolarHBondContact O-N 3.34Å; L343-S346 PolarHBondContact O-N 2.77Å; L343-F347 WeakPolarHBondContact O-CD2 3.46Å; L343-F347 PolarHBondContact O-N 3.01Å
344	P	98.8	Very high	98.7	Very high	27 Å²	27	26.1 Å²	26.1	18%	0.175	14%	0.14	C	C	.	.	H	α-helix	trans	-60.2	-44.4	179.9	-24.6	36.5	0	0	0	112.8	F32 R339 R340 I341 S346 F347 L348	F32-P344 HydrophobicContact CB-CB 3.93Å; F32-P344 HydrophobicContact CB-CG 4.37Å; F32-P344 HydrophobicContact CD1-CB 3.83Å; F32-P344 HydrophobicContact CD1-CG 3.73Å; F32-P344 HydrophobicContact CE1-CG 4.36Å; F32-P344 HydrophobicContact CG-CB 3.85Å; F32-P344 HydrophobicContact CG-CG 4.23Å; R339-P344 WeakPolarHBondContact O-CD 3.16Å; R340-P344 WeakPolarHBondContact O-CG 3.4Å; I341-P344 WeakPolarHBondContact O-CD 3.39Å; P344-S346 VanDerWaalsContact C-N 3.28Å; P344-S346 PolarHBondContact O-N 2.98Å; P344-F347 PolarHBondContact O-N 3.22Å; P344-L348 HydrophobicContact CB-CD1 4.42Å; P344-L348 WeakPolarHBondContact O-CB 3.47Å; P344-L348 WeakPolarHBondContact O-CD1 3.43Å; P344-L348 WeakPolarHBondContact O-CG 3.33Å; P344-L348 PolarHBondContact O-N 2.64Å
345	E	98.8	Very high	98.7	Very high	45 Å²	45	22.7 Å²	22.7	21%	0.21	12%	0.122	C	C	.	.	H	α-helix	trans	-63	-35.9	-178.2	-70.4	-162.4	179.1	0	0	112.3	L19 H312 L316 I341 L343 T349	L19-E345 HydrophobicContact CD1-CB 3.87Å; L19-E345 HydrophobicContact CD1-CG 3.73Å; H312-E345 IonicContact CE1-OE2 3.91Å; H312-E345 IonicContact NE2-OE2 3.15Å; H312-E345 PolarHBondContact NE2-OE2 3.35Å; L316-E345 HydrophobicContact CD1-CB 3.9Å; I341-E345 HydrophobicContact CG2-CG 4.3Å; I341-E345 VanDerWaalsContact O-CB 3.28Å; I341-E345 WeakPolarHBondContact O-CB 3.43Å; I341-E345 VanDerWaalsContact O-CG 3.27Å; I341-E345 WeakPolarHBondContact O-CG 3.35Å; I341-E345 PolarHBondContact O-N 2.73Å; L343-E345 PolarHBondContact O-N 3.34Å; E345-T349 WeakPolarHBondContact O-CB 3.46Å; E345-T349 PolarHBondContact O-N 2.86Å; E345-T349 PolarHBondContact O-OG1 3.1Å
346	S	98.9	Very high	98.6	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.014	12%	0.123	C	C	.	.	H	α-helix	trans	-63.7	-47.4	177.6	-64	0	0	0	0	111.7	L254 L313 L316 S342 L343 P344 T349 A350	L254-S346 WeakPolarHBondContact CD2-OG 3.43Å; L313-S346 WeakPolarHBondContact CD1-O 3.4Å; L316-S346 WeakPolarHBondContact CD1-OG 3.18Å; S342-S346 VanDerWaalsContact O-CB 3.27Å; S342-S346 WeakPolarHBondContact O-CB 3.45Å; S342-S346 PolarHBondContact O-N 3.41Å; S342-S346 VanDerWaalsContact O-N 3.15Å; S342-S346 PolarHBondContact O-OG 2.76Å; L343-S346 PolarHBondContact O-N 2.77Å; P344-S346 VanDerWaalsContact C-N 3.28Å; P344-S346 PolarHBondContact O-N 2.98Å; S346-T349 PolarHBondContact O-N 3.11Å; S346-A350 WeakPolarHBondContact O-CB 3.45Å; S346-A350 PolarHBondContact O-N 3.23Å
347	F	98.9	Very high	98.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-70.8	-41.3	-179.9	-80.6	-96.8	0	0	0	112.5	M28 F32 L126 F130 L133 L257 L343 P344 T349 A350 D351	M28-F347 HydrophobicContact CE-CB 4.3Å; M28-F347 HydrophobicContact CE-CD1 4.32Å; M28-F347 HydrophobicContact SD-CB 3.87Å; F32-F347 HydrophobicContact CD2-CB 4.33Å; F32-F347 HydrophobicContact CE2-CB 3.39Å; F32-F347 HydrophobicContact CE2-CD1 4.37Å; F32-F347 HydrophobicContact CE2-CD2 4.28Å; F32-F347 AromaticContact CE2-CG 3.78Å; F32-F347 HydrophobicContact CE2-CG 3.78Å; F32-F347 HydrophobicContact CZ-CB 3.81Å; F32-F347 HydrophobicContact CZ-CD1 4.39Å; F32-F347 AromaticContact CZ-CD2 3.8Å; F32-F347 HydrophobicContact CZ-CD2 3.8Å; F32-F347 HydrophobicContact CZ-CE2 4.48Å; F32-F347 AromaticContact CZ-CG 3.74Å; F32-F347 HydrophobicContact CZ-CG 3.74Å; L126-F347 HydrophobicContact CD2-CD2 4.3Å; L126-F347 HydrophobicContact CD2-CE2 3.35Å; L126-F347 HydrophobicContact CD2-CZ 3.71Å; F130-F347 HydrophobicContact CD1-CE1 4.02Å; F130-F347 HydrophobicContact CD1-CZ 4.41Å; F130-F347 HydrophobicContact CD2-CE1 4.1Å; F130-F347 HydrophobicContact CD2-CZ 4.05Å; F130-F347 HydrophobicContact CE1-CE1 4.1Å; F130-F347 HydrophobicContact CE1-CZ 4.09Å; F130-F347 HydrophobicContact CE2-CE1 4.18Å; F130-F347 AromaticContact CE2-CZ 3.71Å; F130-F347 HydrophobicContact CE2-CZ 3.71Å; F130-F347 HydrophobicContact CG-CE1 4.01Å; F130-F347 HydrophobicContact CG-CZ 4.38Å; F130-F347 HydrophobicContact CZ-CE1 4.17Å; F130-F347 AromaticContact CZ-CZ 3.73Å; F130-F347 HydrophobicContact CZ-CZ 3.73Å; L133-F347 HydrophobicContact CD1-CD1 3.68Å; L133-F347 HydrophobicContact CD1-CE1 4.08Å; L133-F347 HydrophobicContact CG-CD1 4.49Å; L257-F347 HydrophobicContact CD1-CD1 4.46Å; L257-F347 HydrophobicContact CD1-CD2 3.86Å; L257-F347 HydrophobicContact CD1-CE1 4.43Å; L257-F347 HydrophobicContact CD1-CE2 3.83Å; L257-F347 HydrophobicContact CD1-CG 4.2Å; L257-F347 HydrophobicContact CD1-CZ 4.13Å; L343-F347 WeakPolarHBondContact O-CD2 3.46Å; L343-F347 PolarHBondContact O-N 3.01Å; P344-F347 PolarHBondContact O-N 3.22Å; F347-T349 VanDerWaalsContact C-N 3.34Å; F347-T349 PolarHBondContact O-N 3.01Å; F347-A350 PolarHBondContact O-N 2.95Å; F347-D351 VanDerWaalsContact O-CB 3.27Å; F347-D351 WeakPolarHBondContact O-CB 3.49Å; F347-D351 PolarHBondContact O-N 3.3Å
348	L	98.9	Very high	98.6	Very high	9 Å²	9	18.2 Å²	18.2	5%	0.047	9%	0.087	C	C	.	.	H	α-helix	trans	-60.6	-45	174.1	-69.2	165.6	0	0	0	110.7	L19 V20 A24 M28 A29 P344 D351 I352	L19-L348 HydrophobicContact CB-CB 4.2Å; L19-L348 HydrophobicContact CB-CD1 4.34Å; L19-L348 HydrophobicContact CD1-CB 4.39Å; V20-L348 HydrophobicContact CG2-CD1 3.9Å; A24-L348 HydrophobicContact CB-CB 4.25Å; A24-L348 HydrophobicContact CB-CD2 3.42Å; A24-L348 VanDerWaalsContact CB-CD2 3.42Å; A24-L348 HydrophobicContact CB-CG 4.43Å; M28-L348 HydrophobicContact CB-CD2 4.29Å; M28-L348 HydrophobicContact CG-CD2 3.8Å; M28-L348 HydrophobicContact CG-CG 4.37Å; A29-L348 HydrophobicContact CB-CD2 4.42Å; P344-L348 HydrophobicContact CB-CD1 4.42Å; P344-L348 WeakPolarHBondContact O-CB 3.47Å; P344-L348 WeakPolarHBondContact O-CD1 3.43Å; P344-L348 WeakPolarHBondContact O-CG 3.33Å; P344-L348 PolarHBondContact O-N 2.64Å; L348-D351 WeakPolarHBondContact O-CB 3.2Å; L348-D351 PolarHBondContact O-N 2.79Å; L348-I352 VanDerWaalsContact O-CD1 3.24Å; L348-I352 WeakPolarHBondContact O-CD1 3.42Å; L348-I352 WeakPolarHBondContact O-CG1 3.21Å; L348-I352 PolarHBondContact O-N 3.44Å
349	T	98.9	Very high	98.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-63.9	-45.2	178.6	-57.8	0	0	0	0	111.4	L309 L313 E345 S346 F347 D351 I352 V353	L309-T349 HydrophobicContact CB-CG2 3.93Å; L309-T349 WeakPolarHBondContact O-CG2 3.39Å; L313-T349 HydrophobicContact CB-CG2 3.91Å; E345-T349 WeakPolarHBondContact O-CB 3.46Å; E345-T349 PolarHBondContact O-N 2.86Å; E345-T349 PolarHBondContact O-OG1 3.1Å; S346-T349 PolarHBondContact O-N 3.11Å; F347-T349 VanDerWaalsContact C-N 3.34Å; F347-T349 PolarHBondContact O-N 3.01Å; T349-D351 VanDerWaalsContact C-N 3.31Å; T349-D351 PolarHBondContact O-N 2.67Å; T349-I352 PolarHBondContact O-N 3.42Å; T349-V353 WeakPolarHBondContact O-CG1 3.33Å; T349-V353 WeakPolarHBondContact O-CG2 3.36Å; T349-V353 PolarHBondContact O-N 3.01Å
350	A	98.9	Very high	98.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-58.3	-42.8	174.6	0	0	0	0	0	111.9	L133 L257 L260 L313 S346 F347 I352 V353 L354	L133-A350 HydrophobicContact CD1-CB 3.89Å; L133-A350 HydrophobicContact CD2-CB 3.96Å; L257-A350 HydrophobicContact CD2-CB 4.09Å; L260-A350 HydrophobicContact CD2-CB 4.45Å; L313-A350 HydrophobicContact CD2-CB 3.99Å; S346-A350 WeakPolarHBondContact O-CB 3.45Å; S346-A350 PolarHBondContact O-N 3.23Å; F347-A350 PolarHBondContact O-N 2.95Å; A350-I352 PolarHBondContact O-N 2.96Å; A350-V353 VanDerWaalsContact O-CG2 3.25Å; A350-V353 WeakPolarHBondContact O-CG2 3.36Å; A350-V353 PolarHBondContact O-N 2.88Å; A350-L354 WeakPolarHBondContact O-CB 3.36Å; A350-L354 VanDerWaalsContact O-CG 3.32Å; A350-L354 WeakPolarHBondContact O-CG 3.39Å; A350-L354 PolarHBondContact O-N 3.13Å
351	D	98.8	Very high	98.4	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-60	-44.6	178.2	-173.2	68.5	0	0	0	112.5	S25 M28 L133 K136 F347 L348 T349 S355	S25-D351 VanDerWaalsContact CB-OD2 3.24Å; S25-D351 WeakPolarHBondContact CB-OD2 3.44Å; S25-D351 PolarHBondContact N-OD2 3.01Å; S25-D351 VanDerWaalsContact OG-CG 3.25Å; S25-D351 PolarHBondContact OG-OD1 3.4Å; S25-D351 PolarHBondContact OG-OD2 3.29Å; M28-D351 HydrophobicContact CB-CB 4.06Å; M28-D351 HydrophobicContact CE-CB 4.13Å; M28-D351 HydrophobicContact CG-CB 3.9Å; L133-D351 HydrophobicContact CD2-CB 3.95Å; K136-D351 WeakPolarHBondContact CD-OD1 3.3Å; K136-D351 VanDerWaalsContact CE-OD1 3.23Å; K136-D351 WeakPolarHBondContact CE-OD1 3.47Å; K136-D351 VanDerWaalsContact NZ-CG 3.33Å; K136-D351 IonicContact NZ-OD1 3.49Å; K136-D351 PolarHBondContact NZ-OD1 2.97Å; K136-D351 IonicContact NZ-OD2 3.87Å; K136-D351 PolarHBondContact NZ-OD2 3.09Å; F347-D351 VanDerWaalsContact O-CB 3.27Å; F347-D351 WeakPolarHBondContact O-CB 3.49Å; F347-D351 PolarHBondContact O-N 3.3Å; L348-D351 WeakPolarHBondContact O-CB 3.2Å; L348-D351 PolarHBondContact O-N 2.79Å; T349-D351 VanDerWaalsContact C-N 3.31Å; T349-D351 PolarHBondContact O-N 2.67Å; D351-S355 WeakPolarHBondContact O-CB 3.34Å; D351-S355 PolarHBondContact O-N 3.48Å; D351-S355 PolarHBondContact O-OG 3.37Å
352	I	98.4	Very high	98.2	Very high	2 Å²	2	9.4 Å²	9.4	1%	0.01	5%	0.05	C	C	.	.	H	α-helix	trans	-65.9	-48.4	179.6	-63.1	158.8	0	0	0	110.8	L19 Y23 A24 L309 L348 T349 A350 L354 S355 T356	L19-I352 HydrophobicContact CB-CD1 4.25Å; L19-I352 HydrophobicContact CD2-CD1 3.65Å; Y23-I352 HydrophobicContact CD2-CD1 4.47Å; Y23-I352 HydrophobicContact CG-CD1 4.3Å; Y23-I352 HydrophobicContact CG-CG2 4.29Å; A24-I352 HydrophobicContact CB-CD1 4.1Å; A24-I352 HydrophobicContact CB-CG1 3.94Å; L309-I352 HydrophobicContact CD1-CB 4.16Å; L309-I352 HydrophobicContact CD1-CG2 3.37Å; L348-I352 VanDerWaalsContact O-CD1 3.24Å; L348-I352 WeakPolarHBondContact O-CD1 3.42Å; L348-I352 WeakPolarHBondContact O-CG1 3.21Å; L348-I352 PolarHBondContact O-N 3.44Å; T349-I352 PolarHBondContact O-N 3.42Å; A350-I352 PolarHBondContact O-N 2.96Å; I352-L354 VanDerWaalsContact C-N 3.34Å; I352-L354 PolarHBondContact O-N 3Å; I352-S355 PolarHBondContact O-N 3.03Å; I352-T356 WeakPolarHBondContact O-CB 3.13Å; I352-T356 PolarHBondContact O-N 2.91Å; I352-T356 PolarHBondContact O-OG1 3.05Å
353	V	98.6	Very high	98	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-67.2	-36.8	-176.8	-62	0	0	0	0	111.3	V264 L309 T349 A350 L357	V264-V353 HydrophobicContact CG1-CB 4.21Å; V264-V353 HydrophobicContact CG2-CG2 4.4Å; L309-V353 HydrophobicContact CB-CG1 3.62Å; T349-V353 WeakPolarHBondContact O-CG1 3.33Å; T349-V353 WeakPolarHBondContact O-CG2 3.36Å; T349-V353 PolarHBondContact O-N 3.01Å; A350-V353 VanDerWaalsContact O-CG2 3.25Å; A350-V353 WeakPolarHBondContact O-CG2 3.36Å; A350-V353 PolarHBondContact O-N 2.88Å; V353-L357 WeakPolarHBondContact O-CB 3.34Å; V353-L357 PolarHBondContact O-N 3.46Å
354	L	98.8	Very high	97.9	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-67.7	-42.7	174.9	-71.3	178.1	0	0	0	112	L133 K136 L137 V140 L260 A350 I352 L357 Q358	L133-L354 HydrophobicContact CB-CD1 4.26Å; L133-L354 HydrophobicContact CD2-CD1 4Å; K136-L354 HydrophobicContact CB-CB 4.02Å; K136-L354 HydrophobicContact CB-CD1 4.1Å; L137-L354 HydrophobicContact CB-CD1 4.09Å; L137-L354 HydrophobicContact CB-CD2 4.14Å; L137-L354 HydrophobicContact CD1-CD2 3.9Å; V140-L354 HydrophobicContact CG2-CD2 4.42Å; L260-L354 HydrophobicContact CD1-CD2 4.14Å; L260-L354 HydrophobicContact CD2-CD1 4.21Å; L260-L354 HydrophobicContact CD2-CD2 4.16Å; L260-L354 HydrophobicContact CD2-CG 4.21Å; A350-L354 WeakPolarHBondContact O-CB 3.36Å; A350-L354 VanDerWaalsContact O-CG 3.32Å; A350-L354 WeakPolarHBondContact O-CG 3.39Å; A350-L354 PolarHBondContact O-N 3.13Å; I352-L354 VanDerWaalsContact C-N 3.34Å; I352-L354 PolarHBondContact O-N 3Å; L354-L357 PolarHBondContact O-N 3.43Å; L354-Q358 WeakPolarHBondContact O-CB 3.12Å; L354-Q358 PolarHBondContact O-N 3.48Å
355	S	97.8	Very high	97.9	Very high	12 Å²	12	12.7 Å²	12.7	8%	0.084	7%	0.074	C	C	.	.	H	α-helix	trans	-64.9	-43.2	178.4	-54.3	0	0	0	0	111	K136 D351 I352 Q358 N359 I482	K136-S355 PolarHBondContact NZ-OG 3.01Å; D351-S355 WeakPolarHBondContact O-CB 3.34Å; D351-S355 PolarHBondContact O-N 3.48Å; D351-S355 PolarHBondContact O-OG 3.37Å; I352-S355 PolarHBondContact O-N 3.03Å; S355-Q358 PolarHBondContact O-N 3.44Å; S355-N359 PolarHBondContact O-N 3.27Å; S355-N359 VanDerWaalsContact O-N 3.1Å; S355-I482 WeakPolarHBondContact O-CG2 3.49Å
356	T	98	Very high	97.8	Very high	4 Å²	4	11.2 Å²	11.2	3%	0.025	7%	0.068	C	C	.	.	H	α-helix	trans	-67.4	-41	177.1	-51.3	0	0	0	0	111.5	R302 C306 I352 N359 I360 L484	R302-T356 HydrophobicContact CB-CG2 3.98Å; C306-T356 VanDerWaalsContact SG-CB 3.58Å; C306-T356 WeakPolarHBondContact SG-CG2 3.35Å; I352-T356 WeakPolarHBondContact O-CB 3.13Å; I352-T356 PolarHBondContact O-N 2.91Å; I352-T356 PolarHBondContact O-OG1 3.05Å; T356-N359 PolarHBondContact O-N 3.02Å; T356-I360 HydrophobicContact CG2-CD1 4.33Å; T356-I360 WeakPolarHBondContact O-CG1 3.37Å; T356-I360 PolarHBondContact O-N 2.96Å; T356-L484 HydrophobicContact CG2-CD1 4.29Å
357	L	98.5	Very high	97.8	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-68.7	-35.7	177.4	-175.4	60.5	0	0	0	112.1	V140 V264 I267 V353 L354 N359 I360 T361	V140-L357 HydrophobicContact CG1-CD2 3.7Å; V140-L357 HydrophobicContact CG1-CG 3.76Å; V140-L357 HydrophobicContact CG2-CB 4.46Å; V140-L357 HydrophobicContact CG2-CG 4.49Å; V264-L357 HydrophobicContact CG1-CD2 4.37Å; V264-L357 HydrophobicContact CG2-CD2 3.95Å; I267-L357 HydrophobicContact CG2-CD1 4.25Å; V353-L357 WeakPolarHBondContact O-CB 3.34Å; V353-L357 PolarHBondContact O-N 3.46Å; L354-L357 PolarHBondContact O-N 3.43Å; L357-N359 VanDerWaalsContact C-N 3.35Å; L357-I360 PolarHBondContact O-N 3.2Å; L357-T361 HydrophobicContact CD1-CG2 4.16Å; L357-T361 HydrophobicContact CG-CG2 4.37Å; L357-T361 WeakPolarHBondContact O-CB 3.26Å; L357-T361 WeakPolarHBondContact O-CG2 3.15Å; L357-T361 PolarHBondContact O-N 3.3Å; L357-T361 PolarHBondContact O-OG1 2.71Å
358	Q	98.1	Very high	97.8	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-59	-50.7	171.9	-174.7	-177.6	-27.6	0	0	109.5	R139 V140 L354 S355 I360 T361 E362 V480 I482	R139-Q358 HydrophobicContact CB-CG 4.35Å; V140-Q358 HydrophobicContact CG2-CB 3.81Å; L354-Q358 WeakPolarHBondContact O-CB 3.12Å; L354-Q358 PolarHBondContact O-N 3.48Å; S355-Q358 PolarHBondContact O-N 3.44Å; Q358-I360 VanDerWaalsContact C-N 3.31Å; Q358-I360 PolarHBondContact O-N 2.81Å; Q358-T361 WeakPolarHBondContact CA-OG1 3.39Å; Q358-T361 PolarHBondContact O-N 3.03Å; Q358-T361 VanDerWaalsContact O-N 3.17Å; Q358-T361 PolarHBondContact O-OG1 2.91Å; Q358-E362 HydrophobicContact CG-CG 4.31Å; Q358-E362 PolarHBondContact NE2-OE1 3.36Å; Q358-E362 WeakPolarHBondContact O-CB 3.38Å; Q358-E362 VanDerWaalsContact O-CG 3.31Å; Q358-E362 WeakPolarHBondContact O-CG 3.47Å; Q358-E362 PolarHBondContact O-N 2.93Å; Q358-V480 PolarHBondContact NE2-O 3.21Å; Q358-I482 HydrophobicContact CB-CG1 4.26Å; Q358-I482 HydrophobicContact CG-CG1 4.22Å
359	N	96.9	Very high	97.8	Very high	18 Å²	18	23.5 Å²	23.5	10%	0.096	12%	0.124	C	C	.	.	H	α-helix	trans	-58.8	-40.1	177.8	177.5	-88	0	0	0	112.8	P283 R302 S355 T356 L357 I482 L484	P283-N359 VanDerWaalsContact CG-O 3.31Å; P283-N359 WeakPolarHBondContact CG-O 3.1Å; R302-N359 PolarHBondContact NH1-OD1 3.43Å; S355-N359 PolarHBondContact O-N 3.27Å; S355-N359 VanDerWaalsContact O-N 3.1Å; T356-N359 PolarHBondContact O-N 3.02Å; L357-N359 VanDerWaalsContact C-N 3.35Å; N359-I482 HydrophobicContact CB-CG2 4.41Å; N359-I482 PolarHBondContact ND2-O 2.82Å; N359-I482 VanDerWaalsContact ND2-O 3.16Å; N359-L484 HydrophobicContact CB-CD1 3.86Å; N359-L484 HydrophobicContact CB-CD2 4.4Å; N359-L484 HydrophobicContact CB-CG 3.95Å; N359-L484 WeakPolarHBondContact OD1-CD1 3.42Å
360	I	97.6	Very high	97.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.6	-51.7	174	-68.2	164.8	0	0	0	110.7	I271 E282 P283 R302 A303 T356 L357 Q358 E362 G363 L364	I271-I360 HydrophobicContact CD1-CG2 3.96Å; E282-I360 HydrophobicContact CB-CG2 4.42Å; P283-I360 WeakPolarHBondContact CD-O 3.5Å; R302-I360 HydrophobicContact CB-CD1 3.75Å; R302-I360 HydrophobicContact CB-CG1 3.74Å; A303-I360 HydrophobicContact CB-CD1 4.3Å; T356-I360 HydrophobicContact CG2-CD1 4.33Å; T356-I360 WeakPolarHBondContact O-CG1 3.37Å; T356-I360 PolarHBondContact O-N 2.96Å; L357-I360 PolarHBondContact O-N 3.2Å; Q358-I360 VanDerWaalsContact C-N 3.31Å; Q358-I360 PolarHBondContact O-N 2.81Å; I360-E362 VanDerWaalsContact C-N 3.31Å; I360-E362 PolarHBondContact O-N 3.47Å; I360-G363 CarbonylContact O-C 3.15Å; I360-G363 PolarHBondContact O-N 3.13Å; I360-G363 VanDerWaalsContact O-N 3.13Å; I360-L364 HydrophobicContact CG2-CD2 3.84Å; I360-L364 HydrophobicContact CG2-CG 4.43Å; I360-L364 WeakPolarHBondContact O-CG 3.5Å; I360-L364 PolarHBondContact O-N 3.41Å; I360-L364 VanDerWaalsContact O-N 3.12Å
361	T	97	Very high	97.8	Very high	8 Å²	8	25.6 Å²	25.6	5%	0.049	14%	0.137	C	C	.	.	H	α-helix	trans	-67.9	-27.5	-174.9	51.9	0	0	0	0	113.4	V140 L144 L357 Q358 G363	V140-T361 HydrophobicContact CG1-CG2 4.43Å; L144-T361 HydrophobicContact CB-CG2 4.28Å; L144-T361 HydrophobicContact CD1-CG2 4.27Å; L357-T361 HydrophobicContact CD1-CG2 4.16Å; L357-T361 HydrophobicContact CG-CG2 4.37Å; L357-T361 WeakPolarHBondContact O-CB 3.26Å; L357-T361 WeakPolarHBondContact O-CG2 3.15Å; L357-T361 PolarHBondContact O-N 3.3Å; L357-T361 PolarHBondContact O-OG1 2.71Å; Q358-T361 WeakPolarHBondContact CA-OG1 3.39Å; Q358-T361 PolarHBondContact O-N 3.03Å; Q358-T361 VanDerWaalsContact O-N 3.17Å; Q358-T361 PolarHBondContact O-OG1 2.91Å; T361-G363 VanDerWaalsContact C-N 3.25Å; T361-G363 PolarHBondContact O-N 2.83Å
362	E	95.2	Very high	97.7	Very high	62 Å²	62	29.3 Å²	29.3	29%	0.29	15%	0.154	S	C	.	.	H	α-helix	trans	-67.7	-22.4	173.1	-75.5	179	162.4	0	0	113.4	R143 Q358 I360	R143-E362 HydrophobicContact CB-CG 4.41Å; R143-E362 HydrophobicContact CG-CG 3.66Å; R143-E362 IonicContact CZ-OE1 3.04Å; R143-E362 IonicContact NE-OE1 2.83Å; R143-E362 PolarHBondContact NE-OE1 3.2Å; R143-E362 VanDerWaalsContact NE-OE1 3.15Å; R143-E362 IonicContact NH2-OE1 3.84Å; R143-E362 PolarHBondContact NH2-OE1 3.47Å; Q358-E362 HydrophobicContact CG-CG 4.31Å; Q358-E362 PolarHBondContact NE2-OE1 3.36Å; Q358-E362 WeakPolarHBondContact O-CB 3.38Å; Q358-E362 VanDerWaalsContact O-CG 3.31Å; Q358-E362 WeakPolarHBondContact O-CG 3.47Å; Q358-E362 PolarHBondContact O-N 2.93Å; I360-E362 VanDerWaalsContact C-N 3.31Å; I360-E362 PolarHBondContact O-N 3.47Å
363	G	94.4	Very high	97.7	Very high	25 Å²	25	35.5 Å²	35.5	26%	0.258	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134.6	22.3	-170.9	0	0	0	0	0	115.5	P283 I360 T361 V365	P283-G363 WeakPolarHBondContact CA-O 3.4Å; P283-G363 WeakPolarHBondContact CB-O 3.29Å; P283-G363 WeakPolarHBondContact CD-O 3.44Å; I360-G363 CarbonylContact O-C 3.15Å; I360-G363 PolarHBondContact O-N 3.13Å; I360-G363 VanDerWaalsContact O-N 3.13Å; T361-G363 VanDerWaalsContact C-N 3.25Å; T361-G363 PolarHBondContact O-N 2.83Å; G363-V365 PolarHBondContact O-N 3.31Å
364	L	96.9	Very high	97.7	Very high	18 Å²	18	37.9 Å²	37.9	9%	0.094	19%	0.188	C	C	.	.			trans	-56	128.2	173.4	-74.8	173.5	0	0	0	110.8	F147 I271 I280 I360	F147-L364 HydrophobicContact CD1-CD1 4.47Å; F147-L364 HydrophobicContact CD2-CB 4.02Å; F147-L364 HydrophobicContact CD2-CD1 4.07Å; F147-L364 HydrophobicContact CE1-CD1 4.41Å; F147-L364 HydrophobicContact CE2-CB 3.71Å; F147-L364 HydrophobicContact CE2-CD1 3.99Å; F147-L364 HydrophobicContact CG-CD1 4.32Å; F147-L364 HydrophobicContact CZ-CB 4.48Å; F147-L364 HydrophobicContact CZ-CD1 4.18Å; I271-L364 HydrophobicContact CD1-CD2 4.33Å; I280-L364 HydrophobicContact CG2-CB 4.45Å; I280-L364 HydrophobicContact CG2-CD2 3.9Å; I360-L364 HydrophobicContact CG2-CD2 3.84Å; I360-L364 HydrophobicContact CG2-CG 4.43Å; I360-L364 WeakPolarHBondContact O-CG 3.5Å; I360-L364 PolarHBondContact O-N 3.41Å; I360-L364 VanDerWaalsContact O-N 3.12Å
365	V	97.3	Very high	97.7	Very high	60 Å²	60	38 Å²	38	36%	0.364	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	125.8	177.4	-176.8	0	0	0	0	108.9	I280 E281 G363 Y367	I280-V365 CarbonylContact C-O 3.6Å; I280-V365 VanDerWaalsContact CA-O 3.22Å; I280-V365 WeakPolarHBondContact CA-O 3Å; E281-V365 PolarHBondContact N-O 2.91Å; E281-V365 PolarHBondContact O-N 3.12Å; G363-V365 PolarHBondContact O-N 3.31Å; V365-Y367 HydrophobicContact CG1-CE1 4.06Å; V365-Y367 HydrophobicContact CG1-CE2 4.07Å
366	V	98.1	Very high	97.6	Very high	15 Å²	15	45.3 Å²	45.3	9%	0.091	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	139.7	178.8	-175.8	0	0	0	0	109.6	F147 Y151 L154 V170 I280 P368 I371	F147-V366 HydrophobicContact CE2-CG2 3.53Å; F147-V366 HydrophobicContact CZ-CG2 3.6Å; Y151-V366 HydrophobicContact CD2-CG2 4.14Å; Y151-V366 HydrophobicContact CE1-CB 3.98Å; Y151-V366 HydrophobicContact CE1-CG1 4.18Å; Y151-V366 HydrophobicContact CE1-CG2 4.04Å; Y151-V366 HydrophobicContact CE2-CB 4.41Å; Y151-V366 HydrophobicContact CE2-CG2 3.65Å; L154-V366 HydrophobicContact CD2-CG1 3.75Å; V170-V366 HydrophobicContact CG1-CG2 4.5Å; I280-V366 HydrophobicContact CD1-CG2 4.41Å; I280-V366 HydrophobicContact CG1-CG2 4.34Å; V366-P368 VanDerWaalsContact O-CD 3.24Å; V366-P368 WeakPolarHBondContact O-CD 3.24Å; V366-I371 HydrophobicContact CG1-CD1 3.7Å
367	Y	98.4	Very high	97.5	Very high	71 Å²	71	47.7 Å²	47.7	28%	0.278	23%	0.226	S	C	.	.			trans	-114.5	81.9	179.1	-61.7	-76.6	0	0	0	112.2	K278 E279 E281 V365 K369 V370 I371	K278-Y367 WeakPolarHBondContact O-CB 3.15Å; K278-Y367 WeakPolarHBondContact O-CD2 3.39Å; E279-Y367 PolarHBondContact O-N 3.31Å; E281-Y367 HydrophobicContact CB-CE2 4.09Å; E281-Y367 HydrophobicContact CG-CE2 3.78Å; E281-Y367 WeakPolarHBondContact OE2-CE2 3.36Å; E281-Y367 PolarHBondContact OE2-OH 2.94Å; V365-Y367 HydrophobicContact CG1-CE1 4.06Å; V365-Y367 HydrophobicContact CG1-CE2 4.07Å; Y367-K369 VanDerWaalsContact C-N 3.25Å; Y367-K369 PolarHBondContact O-N 2.96Å; Y367-K369 VanDerWaalsContact O-N 3.11Å; Y367-V370 PolarHBondContact O-N 2.91Å; Y367-I371 PolarHBondContact O-N 3.18Å
368	P	98.4	Very high	97.5	Very high	49 Å²	49	50.3 Å²	50.3	32%	0.318	24%	0.238	S	C	.	.	H	α-helix	trans	-54.1	-36.3	-176	-28.5	35.1	0	0	0	114.5	L154 V366 V370 I371 E372	L154-P368 HydrophobicContact CD1-CB 4.27Å; L154-P368 HydrophobicContact CD2-CG 4.37Å; V366-P368 VanDerWaalsContact O-CD 3.24Å; V366-P368 WeakPolarHBondContact O-CD 3.24Å; P368-V370 PolarHBondContact O-N 2.88Å; P368-I371 WeakPolarHBondContact O-CB 3.44Å; P368-I371 PolarHBondContact O-N 3.29Å; P368-E372 WeakPolarHBondContact O-CB 3.47Å; P368-E372 VanDerWaalsContact O-CG 3.28Å; P368-E372 WeakPolarHBondContact O-CG 3.48Å; P368-E372 PolarHBondContact O-N 2.98Å
369	K	98.6	Very high	97.4	Very high	149 Å²	149	50.6 Å²	50.6	65%	0.648	24%	0.239	S	C	*	.	H	α-helix	trans	-69.6	-29.6	-179.4	-64	-47.7	-173.3	-167.4	0	114.1	Y367 E372 R373	Y367-K369 VanDerWaalsContact C-N 3.25Å; Y367-K369 PolarHBondContact O-N 2.96Å; Y367-K369 VanDerWaalsContact O-N 3.11Å; K369-E372 WeakPolarHBondContact CD-OE2 3.4Å; K369-E372 IonicContact NZ-OE1 2.86Å; K369-E372 PolarHBondContact NZ-OE1 3.42Å; K369-E372 IonicContact NZ-OE2 2.82Å; K369-E372 PolarHBondContact NZ-OE2 2.99Å; K369-R373 PolarHBondContact O-N 3.37Å
370	V	98.4	Very high	97.4	Very high	43 Å²	43	50.2 Å²	50.2	26%	0.261	24%	0.238	S	C	.	.	H	α-helix	trans	-71.5	-45	171.7	178.7	0	0	0	0	109.5	L277 K278 E279 Y367 P368 E372 R373 H374	L277-V370 WeakPolarHBondContact O-CG1 3.12Å; K278-V370 HydrophobicContact CB-CG1 4.21Å; E279-V370 HydrophobicContact CG-CG1 4.38Å; Y367-V370 PolarHBondContact O-N 2.91Å; P368-V370 PolarHBondContact O-N 2.88Å; V370-E372 PolarHBondContact O-N 2.89Å; V370-R373 WeakPolarHBondContact O-CB 3.22Å; V370-R373 PolarHBondContact O-N 2.98Å; V370-R373 VanDerWaalsContact O-N 3.12Å; V370-H374 PolarHBondContact O-N 3.19Å
371	I	98.8	Very high	97.3	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-58.6	-49.5	177.2	-62.3	167.3	0	0	0	111	L154 P155 V170 E279 V366 Y367 P368 R373 H374 I375	L154-I371 HydrophobicContact CD2-CD1 4.16Å; P155-I371 WeakPolarHBondContact O-CG2 3.37Å; V170-I371 HydrophobicContact CG2-CD1 4.02Å; E279-I371 HydrophobicContact CB-CD1 4.26Å; E279-I371 HydrophobicContact CB-CG1 3.74Å; E279-I371 HydrophobicContact CG-CG1 3.62Å; V366-I371 HydrophobicContact CG1-CD1 3.7Å; Y367-I371 PolarHBondContact O-N 3.18Å; P368-I371 WeakPolarHBondContact O-CB 3.44Å; P368-I371 PolarHBondContact O-N 3.29Å; I371-R373 VanDerWaalsContact C-N 3.26Å; I371-R373 PolarHBondContact O-N 2.61Å; I371-H374 PolarHBondContact O-N 3.48Å; I371-I375 HydrophobicContact CG2-CD1 3.91Å; I371-I375 HydrophobicContact CG2-CG1 4.46Å; I371-I375 WeakPolarHBondContact O-CG1 3.42Å; I371-I375 PolarHBondContact O-N 3.15Å
372	E	98.4	Very high	97.2	Very high	77 Å²	77	53.9 Å²	53.9	36%	0.36	25%	0.254	S	S	.	.	H	α-helix	trans	-57.4	-38.2	175.7	-74.9	170.2	-151.9	0	0	112.1	P368 K369 V370 R376	P368-E372 WeakPolarHBondContact O-CB 3.47Å; P368-E372 VanDerWaalsContact O-CG 3.28Å; P368-E372 WeakPolarHBondContact O-CG 3.48Å; P368-E372 PolarHBondContact O-N 2.98Å; K369-E372 WeakPolarHBondContact CD-OE2 3.4Å; K369-E372 IonicContact NZ-OE1 2.86Å; K369-E372 PolarHBondContact NZ-OE1 3.42Å; K369-E372 IonicContact NZ-OE2 2.82Å; K369-E372 PolarHBondContact NZ-OE2 2.99Å; V370-E372 PolarHBondContact O-N 2.89Å; E372-R376 WeakPolarHBondContact O-CG 3.25Å; E372-R376 PolarHBondContact O-N 3.26Å; E372-R376 PolarHBondContact O-NE 3.28Å
373	R	98.2	Very high	97.1	Very high	132 Å²	132	51 Å²	51	50%	0.498	24%	0.24	S	C	.	.	H	α-helix	trans	-65	-48.3	175.6	-178.1	-177.6	179	-177.9	-0.1	111.2	K369 V370 I371 I375 R376 H377	K369-R373 PolarHBondContact O-N 3.37Å; V370-R373 WeakPolarHBondContact O-CB 3.22Å; V370-R373 PolarHBondContact O-N 2.98Å; V370-R373 VanDerWaalsContact O-N 3.12Å; I371-R373 VanDerWaalsContact C-N 3.26Å; I371-R373 PolarHBondContact O-N 2.61Å; R373-I375 VanDerWaalsContact C-N 3.33Å; R373-I375 PolarHBondContact O-N 3.38Å; R373-R376 PolarHBondContact O-N 3.06Å; R373-H377 PolarHBondContact O-CD2 2.73Å; R373-H377 PolarHBondContact O-N 3.08Å
374	H	98.3	Very high	97	Very high	50 Å²	50	51.5 Å²	51.5	23%	0.231	24%	0.239	C	C	.	.	H	α-helix	trans	-62.2	-41.5	178.9	-66.7	170.9	0	0	0	112.2	L277 E279 V370 I371 R376 H377 E378	L277-H374 PolarHBondContact O-CE1 3.08Å; E279-H374 IonicContact OE1-CE1 2.84Å; E279-H374 IonicContact OE1-CG 2.68Å; E279-H374 IonicContact OE1-ND1 3.6Å; E279-H374 PolarHBondContact OE1-ND1 3.39Å; V370-H374 PolarHBondContact O-N 3.19Å; I371-H374 PolarHBondContact O-N 3.48Å; H374-R376 VanDerWaalsContact C-N 3.34Å; H374-R376 PolarHBondContact O-N 2.93Å; H374-H377 PolarHBondContact O-N 3.43Å; H374-E378 PolarHBondContact O-N 3.31Å
375	I	98.3	Very high	96.8	Very high	4 Å²	4	54.4 Å²	54.4	2%	0.021	25%	0.252	C	S	.	.	H	α-helix	trans	-58.4	-47.6	174	-68.4	169.2	0	0	0	110.3	P155 L167 I371 R373 H377 E378 L379 P448	P155-I375 HydrophobicContact CB-CD1 3.94Å; L167-I375 HydrophobicContact CD1-CD1 4.33Å; L167-I375 HydrophobicContact CD1-CG1 4.5Å; L167-I375 HydrophobicContact CD1-CG2 3.94Å; L167-I375 HydrophobicContact CD2-CG1 4.12Å; L167-I375 HydrophobicContact CD2-CG2 4.33Å; I371-I375 HydrophobicContact CG2-CD1 3.91Å; I371-I375 HydrophobicContact CG2-CG1 4.46Å; I371-I375 WeakPolarHBondContact O-CG1 3.42Å; I371-I375 PolarHBondContact O-N 3.15Å; R373-I375 VanDerWaalsContact C-N 3.33Å; R373-I375 PolarHBondContact O-N 3.38Å; I375-H377 PolarHBondContact O-N 3.18Å; I375-H377 VanDerWaalsContact O-N 3.14Å; I375-E378 PolarHBondContact O-N 3.04Å; I375-L379 HydrophobicContact CG2-CB 3.95Å; I375-L379 HydrophobicContact CG2-CD2 3.84Å; I375-L379 HydrophobicContact CG2-CG 4.38Å; I375-L379 WeakPolarHBondContact O-CB 3.35Å; I375-L379 PolarHBondContact O-N 3.44Å; I375-P448 HydrophobicContact CG2-CB 4.1Å; I375-P448 HydrophobicContact CG2-CG 3.9Å
376	R	96.4	Very high	96.6	Very high	164 Å²	164	54.1 Å²	54.1	62%	0.619	25%	0.248	S	C	*	.	H	α-helix	trans	-58.6	-28.6	179.5	-78.2	-176.7	-67.4	150.9	-2.7	113.7	E372 R373 H374 P380	E372-R376 WeakPolarHBondContact O-CG 3.25Å; E372-R376 PolarHBondContact O-N 3.26Å; E372-R376 PolarHBondContact O-NE 3.28Å; R373-R376 PolarHBondContact O-N 3.06Å; H374-R376 VanDerWaalsContact C-N 3.34Å; H374-R376 PolarHBondContact O-N 2.93Å; R376-P380 VanDerWaalsContact O-CD 3.24Å; R376-P380 WeakPolarHBondContact O-CD 3.48Å
377	H	96.1	Very high	96.4	Very high	54 Å²	54	53.5 Å²	53.5	25%	0.25	25%	0.245	C	C	.	.	H	α-helix	trans	-75.6	-27.4	179	-68.8	-158.8	0	0	0	112.5	R373 H374 I375 D422 N423	R373-H377 PolarHBondContact O-CD2 2.73Å; R373-H377 PolarHBondContact O-N 3.08Å; H374-H377 PolarHBondContact O-N 3.43Å; I375-H377 PolarHBondContact O-N 3.18Å; I375-H377 VanDerWaalsContact O-N 3.14Å; H377-D422 IonicContact CE1-OD1 2.89Å; H377-D422 PolarHBondContact CE1-OD1 3.3Å; H377-D422 IonicContact NE2-OD1 2.99Å; H377-N423 VanDerWaalsContact O-CB 3.25Å; H377-N423 WeakPolarHBondContact O-CB 3.37Å; H377-N423 PolarHBondContact O-ND2 3.05Å
378	E	97.4	Very high	96.2	Very high	57 Å²	57	50.3 Å²	50.3	27%	0.266	23%	0.232	S	C	.	.	H	α-helix	trans	-112.4	-29.3	-171.8	-59.7	-61.6	161.8	0	0	113.6	L157 P164 H374 I375 P380 F381 M382	L157-E378 HydrophobicContact CD1-CB 4.05Å; L157-E378 HydrophobicContact CD1-CG 4.4Å; L157-E378 HydrophobicContact CD2-CB 4.48Å; L157-E378 HydrophobicContact CD2-CG 3.93Å; P164-E378 HydrophobicContact CB-CB 4.21Å; P164-E378 HydrophobicContact CB-CG 3.88Å; P164-E378 HydrophobicContact CG-CG 3.87Å; H374-E378 PolarHBondContact O-N 3.31Å; I375-E378 PolarHBondContact O-N 3.04Å; E378-P380 VanDerWaalsContact C-CD 3.41Å; E378-F381 PolarHBondContact O-N 3.49Å; E378-F381 VanDerWaalsContact O-N 3.09Å; E378-M382 HydrophobicContact CB-CE 3.74Å; E378-M382 PolarHBondContact O-N 3.23Å
379	L	96.4	Very high	96	Very high	5 Å²	5	52.5 Å²	52.5	3%	0.026	24%	0.239	C	C	.	.	H	α-helix	trans	-58.2	-36.2	-177.7	-165.4	62.3	0	0	0	114.3	L167 I375 F381 M382 A383 L446 P448 F451	L167-L379 HydrophobicContact CD1-CD1 4.04Å; L167-L379 HydrophobicContact CG-CD1 4.23Å; I375-L379 HydrophobicContact CG2-CB 3.95Å; I375-L379 HydrophobicContact CG2-CD2 3.84Å; I375-L379 HydrophobicContact CG2-CG 4.38Å; I375-L379 WeakPolarHBondContact O-CB 3.35Å; I375-L379 PolarHBondContact O-N 3.44Å; L379-F381 PolarHBondContact O-N 3.43Å; L379-M382 HydrophobicContact CD1-CB 4.3Å; L379-M382 HydrophobicContact CD1-CE 4.32Å; L379-M382 PolarHBondContact O-N 2.84Å; L379-M382 VanDerWaalsContact O-N 3.07Å; L379-A383 VanDerWaalsContact O-CB 3.26Å; L379-A383 WeakPolarHBondContact O-CB 3Å; L379-A383 PolarHBondContact O-N 3.33Å; L379-L446 WeakPolarHBondContact CD2-O 3.28Å; L379-L446 HydrophobicContact CG-CD2 4.28Å; L379-P448 HydrophobicContact CD2-CB 4.37Å; L379-P448 HydrophobicContact CD2-CG 3.96Å; L379-F451 HydrophobicContact CD1-CB 4.3Å; L379-F451 HydrophobicContact CD1-CD1 3.83Å; L379-F451 HydrophobicContact CD1-CD2 3.81Å; L379-F451 HydrophobicContact CD1-CE1 4.03Å; L379-F451 HydrophobicContact CD1-CE2 4.02Å; L379-F451 HydrophobicContact CD1-CG 3.71Å; L379-F451 HydrophobicContact CD1-CZ 4.12Å; L379-F451 HydrophobicContact CD2-CD2 4.35Å; L379-F451 HydrophobicContact CD2-CE2 4.37Å; L379-F451 HydrophobicContact CG-CE2 4.4Å
380	P	96.3	Very high	95.8	Very high	11 Å²	11	45.5 Å²	45.5	7%	0.071	21%	0.21	C	C	.	.	H	α-helix	trans	-54.9	-37.7	174.5	-27.6	36.2	0	0	0	113.3	R376 E378 L425	R376-P380 VanDerWaalsContact O-CD 3.24Å; R376-P380 WeakPolarHBondContact O-CD 3.48Å; E378-P380 VanDerWaalsContact C-CD 3.41Å; P380-L425 HydrophobicContact CB-CB 4.11Å; P380-L425 HydrophobicContact CB-CD2 4.08Å; P380-L425 HydrophobicContact CB-CG 4.36Å; P380-L425 WeakPolarHBondContact O-CD2 3.42Å
381	F	95.9	Very high	95.8	Very high	55 Å²	55	43.8 Å²	43.8	24%	0.241	20%	0.199	C	C	.	.	H	α-helix	trans	-71.3	-40.1	176.6	-63.8	-51.2	0	0	0	112	E378 L379 A383 T384 A412 A413 N423 L425	E378-F381 PolarHBondContact O-N 3.49Å; E378-F381 VanDerWaalsContact O-N 3.09Å; L379-F381 PolarHBondContact O-N 3.43Å; F381-A383 VanDerWaalsContact C-N 3.33Å; F381-A383 PolarHBondContact O-N 3.43Å; F381-T384 VanDerWaalsContact O-CG2 3.3Å; F381-T384 WeakPolarHBondContact O-CG2 3.37Å; F381-T384 PolarHBondContact O-OG1 3.31Å; F381-A412 HydrophobicContact CE1-CB 4.07Å; F381-A412 HydrophobicContact CZ-CB 4.19Å; F381-A413 HydrophobicContact CE1-CB 4.48Å; F381-A413 HydrophobicContact CZ-CB 4.2Å; F381-N423 VanDerWaalsContact CD2-ND2 3.34Å; F381-N423 WeakPolarHBondContact CD2-ND2 3.42Å; F381-N423 WeakPolarHBondContact CE2-ND2 3.24Å; F381-N423 WeakPolarHBondContact CZ-ND2 3.33Å; F381-L425 HydrophobicContact CD1-CD2 3.64Å; F381-L425 HydrophobicContact CE1-CB 4.43Å; F381-L425 HydrophobicContact CE1-CD2 3.98Å
382	M	94.4	Very high	95.7	Very high	30 Å²	30	46.7 Å²	46.7	15%	0.148	22%	0.216	C	C	.	.	H	α-helix	trans	-71.1	-27	179	-67.4	-175.3	-91.5	0	0	113.4	L157 A165 L167 E378 L379 T384	L157-M382 HydrophobicContact CD1-CE 3.47Å; L157-M382 VanDerWaalsContact CD1-CE 3.47Å; L157-M382 HydrophobicContact CD1-SD 4.44Å; A165-M382 VanDerWaalsContact C-SD 3.51Å; L167-M382 HydrophobicContact CD2-CE 3.87Å; L167-M382 HydrophobicContact CD2-SD 4.47Å; E378-M382 HydrophobicContact CB-CE 3.74Å; E378-M382 PolarHBondContact O-N 3.23Å; L379-M382 HydrophobicContact CD1-CB 4.3Å; L379-M382 HydrophobicContact CD1-CE 4.32Å; L379-M382 PolarHBondContact O-N 2.84Å; L379-M382 VanDerWaalsContact O-N 3.07Å; M382-T384 VanDerWaalsContact C-N 3.29Å; M382-T384 PolarHBondContact O-N 2.67Å
383	A	94.1	Very high	95.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-0	-178.4	0	0	0	0	0	114	L379 F381 E385 N386 I387 L446 F451	L379-A383 VanDerWaalsContact O-CB 3.26Å; L379-A383 WeakPolarHBondContact O-CB 3Å; L379-A383 PolarHBondContact O-N 3.33Å; F381-A383 VanDerWaalsContact C-N 3.33Å; F381-A383 PolarHBondContact O-N 3.43Å; A383-E385 VanDerWaalsContact C-N 3.3Å; A383-E385 PolarHBondContact O-N 2.81Å; A383-N386 WeakPolarHBondContact O-CB 3.18Å; A383-N386 PolarHBondContact O-N 3.18Å; A383-I387 WeakPolarHBondContact O-CG1 3.2Å; A383-I387 PolarHBondContact O-N 3.31Å; A383-L446 HydrophobicContact CB-CD2 3.46Å; A383-L446 VanDerWaalsContact CB-CD2 3.46Å; A383-L446 HydrophobicContact CB-CG 4.49Å; A383-F451 HydrophobicContact CB-CE1 4.08Å; A383-F451 HydrophobicContact CB-CZ 3.6Å
384	T	92.9	Very high	95.4	Very high	36 Å²	36	46.5 Å²	46.5	22%	0.221	23%	0.229	C	C	.	.	H	α-helix	trans	-56.7	-39.8	-176.4	48	0	0	0	0	113	F381 M382 I387 I388 I405 L425	F381-T384 VanDerWaalsContact O-CG2 3.3Å; F381-T384 WeakPolarHBondContact O-CG2 3.37Å; F381-T384 PolarHBondContact O-OG1 3.31Å; M382-T384 VanDerWaalsContact C-N 3.29Å; M382-T384 PolarHBondContact O-N 2.67Å; T384-I387 PolarHBondContact O-N 2.81Å; T384-I388 VanDerWaalsContact O-CG1 3.26Å; T384-I388 WeakPolarHBondContact O-CG1 3.35Å; T384-I388 PolarHBondContact O-N 3.13Å; T384-I405 HydrophobicContact CG2-CD1 3.74Å; T384-I405 HydrophobicContact CG2-CG1 3.97Å; T384-L425 HydrophobicContact CG2-CD2 4.27Å
385	E	90.8	Very high	95.2	Very high	79 Å²	79	47.6 Å²	47.6	37%	0.369	25%	0.254	S	S	.	.	H	α-helix	trans	-66.8	-40.3	175.4	-170.8	65.2	-165.2	0	0	112	A383 I387 I388 M389 R398	A383-E385 VanDerWaalsContact C-N 3.3Å; A383-E385 PolarHBondContact O-N 2.81Å; E385-I387 VanDerWaalsContact C-N 3.3Å; E385-I387 PolarHBondContact O-N 3.48Å; E385-I388 PolarHBondContact O-N 2.92Å; E385-M389 HydrophobicContact CG-SD 4.39Å; E385-M389 VanDerWaalsContact O-CG 3.32Å; E385-M389 WeakPolarHBondContact O-CG 3.26Å; E385-M389 PolarHBondContact O-N 2.89Å; E385-R398 IonicContact OE1-NH2 3.33Å; E385-R398 PolarHBondContact OE1-NH2 3.41Å; E385-R398 IonicContact OE2-NH2 2.71Å
386	N	93.3	Very high	95	Very high	54 Å²	54	48.6 Å²	48.6	29%	0.289	27%	0.266	S	S	.	.	H	α-helix	trans	-62.8	-39.5	176.4	-71.1	7.1	0	0	0	111.4	A383 M389 A390 L445 F451	A383-N386 WeakPolarHBondContact O-CB 3.18Å; A383-N386 PolarHBondContact O-N 3.18Å; N386-M389 PolarHBondContact O-N 3.29Å; N386-A390 WeakPolarHBondContact O-CB 3.34Å; N386-A390 PolarHBondContact O-N 3.14Å; N386-L445 HydrophobicContact CB-CD2 4.36Å; N386-F451 WeakPolarHBondContact ND2-CZ 3.35Å
387	I	94.3	Very high	95	Very high	3 Å²	3	45 Å²	45	2%	0.015	26%	0.259	C	S	.	.	H	α-helix	trans	-63.6	-44.6	175.1	-68.4	169.3	0	0	0	110.6	A383 T384 E385 A390 M391 I405 F435 I438	A383-I387 WeakPolarHBondContact O-CG1 3.2Å; A383-I387 PolarHBondContact O-N 3.31Å; T384-I387 PolarHBondContact O-N 2.81Å; E385-I387 VanDerWaalsContact C-N 3.3Å; E385-I387 PolarHBondContact O-N 3.48Å; I387-A390 PolarHBondContact O-N 3.39Å; I387-M391 PolarHBondContact O-N 3.17Å; I387-I405 HydrophobicContact CB-CD1 3.81Å; I387-I405 HydrophobicContact CD1-CD1 4.1Å; I387-I405 HydrophobicContact CG2-CD1 3.56Å; I387-F435 HydrophobicContact CG2-CD1 4.21Å; I387-F435 HydrophobicContact CG2-CE1 4.09Å; I387-I438 HydrophobicContact CG2-CD1 3.63Å
388	I	94.7	Very high	95	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-61	-46.1	175.8	-68.2	162.4	0	0	0	110.7	T384 E385 A390 M391 V392 R398 H402 I405	T384-I388 VanDerWaalsContact O-CG1 3.26Å; T384-I388 WeakPolarHBondContact O-CG1 3.35Å; T384-I388 PolarHBondContact O-N 3.13Å; E385-I388 PolarHBondContact O-N 2.92Å; I388-A390 PolarHBondContact O-N 3.09Å; I388-M391 PolarHBondContact O-N 3.47Å; I388-V392 HydrophobicContact CG2-CG2 4.46Å; I388-V392 WeakPolarHBondContact O-CG2 3.43Å; I388-V392 PolarHBondContact O-N 3.38Å; I388-R398 HydrophobicContact CG2-CG 3.87Å; I388-H402 HydrophobicContact CD1-CB 4.16Å; I388-I405 HydrophobicContact CD1-CG2 3.95Å; I388-I405 HydrophobicContact CG1-CG2 4.1Å
389	M	94	Very high	94.9	Very high	94 Å²	94	51.3 Å²	51.3	46%	0.463	28%	0.283	S	S	.	.	H	α-helix	trans	-59.7	-44.4	178.6	-73.2	177	62.3	0	0	112	E385 N386 M391 V392 Q393	E385-M389 HydrophobicContact CG-SD 4.39Å; E385-M389 VanDerWaalsContact O-CG 3.32Å; E385-M389 WeakPolarHBondContact O-CG 3.26Å; E385-M389 PolarHBondContact O-N 2.89Å; N386-M389 PolarHBondContact O-N 3.29Å; M389-M391 PolarHBondContact O-N 3.05Å; M389-V392 PolarHBondContact O-N 3.21Å; M389-Q393 WeakPolarHBondContact O-CG 3.15Å; M389-Q393 PolarHBondContact O-N 3.11Å
390	A	95.6	Very high	94.9	Very high	3 Å²	3	55.5 Å²	55.5	3%	0.025	31%	0.306	C	S	.	.	H	α-helix	trans	-63.3	-40.6	176.9	0	0	0	0	0	112.1	N386 I387 I388 V392 Q393 A394 I438 L445	N386-A390 WeakPolarHBondContact O-CB 3.34Å; N386-A390 PolarHBondContact O-N 3.14Å; I387-A390 PolarHBondContact O-N 3.39Å; I388-A390 PolarHBondContact O-N 3.09Å; A390-V392 PolarHBondContact O-N 3.45Å; A390-Q393 PolarHBondContact O-N 3.26Å; A390-A394 WeakPolarHBondContact O-CB 3.13Å; A390-A394 PolarHBondContact O-N 3.21Å; A390-I438 HydrophobicContact CB-CB 4.46Å; A390-I438 HydrophobicContact CB-CG2 3.75Å; A390-L445 HydrophobicContact CB-CD1 3.63Å; A390-L445 HydrophobicContact CB-CD2 4.07Å; A390-L445 HydrophobicContact CB-CG 4.5Å
391	M	97.2	Very high	94.9	Very high	6 Å²	6	55 Å²	55	3%	0.03	30%	0.302	C	S	.	.	H	α-helix	trans	-63.2	-40.8	175.5	-80.1	-57.9	-60.9	0	0	112.4	I387 I388 M389 A394 G395 G396 C401 Y434 F435 P437 I438	I387-M391 PolarHBondContact O-N 3.17Å; I388-M391 PolarHBondContact O-N 3.47Å; M389-M391 PolarHBondContact O-N 3.05Å; M391-A394 CarbonylContact O-C 3.54Å; M391-A394 PolarHBondContact O-N 3.12Å; M391-G395 PolarHBondContact O-N 2.99Å; M391-G396 WeakPolarHBondContact O-CA 3.36Å; M391-G396 PolarHBondContact O-N 2.96Å; M391-C401 HydrophobicContact CB-CB 4.39Å; M391-Y434 HydrophobicContact CE-CD1 4Å; M391-Y434 HydrophobicContact CE-CE1 3.69Å; M391-Y434 WeakPolarHBondContact CE-O 3.31Å; M391-F435 HydrophobicContact CG-CD1 3.91Å; M391-F435 HydrophobicContact CG-CE1 4.32Å; M391-F435 HydrophobicContact SD-CD1 4.07Å; M391-P437 HydrophobicContact CE-CG 4.28Å; M391-I438 HydrophobicContact CG-CD1 3.94Å; M391-I438 HydrophobicContact CG-CG1 4.27Å; M391-I438 HydrophobicContact CG-CG2 4.09Å; M391-I438 HydrophobicContact SD-CB 4.23Å; M391-I438 HydrophobicContact SD-CD1 4.04Å; M391-I438 HydrophobicContact SD-CG1 3.7Å; M391-I438 HydrophobicContact SD-CG2 3.59Å; M391-I438 VanDerWaalsContact SD-CG2 3.59Å
392	V	96.3	Very high	95	Very high	62 Å²	62	55.7 Å²	55.7	38%	0.376	31%	0.306	S	S	.	.	H	α-helix	trans	-65.4	-42.5	176.4	172.1	0	0	0	0	111	I388 M389 A390 A394 G395 R398	I388-V392 HydrophobicContact CG2-CG2 4.46Å; I388-V392 WeakPolarHBondContact O-CG2 3.43Å; I388-V392 PolarHBondContact O-N 3.38Å; M389-V392 PolarHBondContact O-N 3.21Å; A390-V392 PolarHBondContact O-N 3.45Å; V392-A394 PolarHBondContact O-N 3.06Å; V392-G395 PolarHBondContact O-N 3.19Å; V392-R398 HydrophobicContact CG2-CB 3.74Å; V392-R398 HydrophobicContact CG2-CG 4.21Å
393	Q	95.5	Very high	95.1	Very high	156 Å²	156	58.2 Å²	58.2	73%	0.729	32%	0.317	S	S	*	.	H	α-helix	trans	-63.7	-30.8	175.7	-72.6	176.6	-4.7	0	0	112.7	M389 A390 G395	M389-Q393 WeakPolarHBondContact O-CG 3.15Å; M389-Q393 PolarHBondContact O-N 3.11Å; A390-Q393 PolarHBondContact O-N 3.26Å; Q393-G395 PolarHBondContact O-N 3.28Å
394	A	95.3	Very high	95.2	Very high	49 Å²	49	61.8 Å²	61.8	41%	0.405	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	6.5	172.5	0	0	0	0	0	113.9	A390 M391 V392 P437 I438	A390-A394 WeakPolarHBondContact O-CB 3.13Å; A390-A394 PolarHBondContact O-N 3.21Å; M391-A394 CarbonylContact O-C 3.54Å; M391-A394 PolarHBondContact O-N 3.12Å; V392-A394 PolarHBondContact O-N 3.06Å; A394-P437 HydrophobicContact CB-CB 3.69Å; A394-I438 HydrophobicContact CB-CG2 4.47Å
395	G	94.3	Very high	95.4	Very high	73 Å²	73	60.3 Å²	60.3	75%	0.753	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	94	8.3	176.3	0	0	0	0	0	115.3	M391 V392 Q393	M391-G395 PolarHBondContact O-N 2.99Å; V392-G395 PolarHBondContact O-N 3.19Å; Q393-G395 PolarHBondContact O-N 3.28Å
396	G	94.3	Very high	95.7	Very high	26 Å²	26	61 Å²	61	27%	0.268	32%	0.323	S	S	.	.			trans	-77.9	160.1	177.7	0	0	0	0	0	114.3	M391	M391-G396 WeakPolarHBondContact O-CA 3.36Å; M391-G396 PolarHBondContact O-N 2.96Å
397	N	96.6	Very high	95.9	Very high	87 Å²	87	61 Å²	61	47%	0.465	33%	0.325	S	S	.	.			trans	-81.9	128.9	172.6	-176.8	-67.1	0	0	0	110.9	Q399 D400 C401 Y434	N397-Q399 PolarHBondContact O-N 3.31Å; N397-Q399 WeakPolarHBondContact OD1-CA 3.49Å; N397-Q399 WeakPolarHBondContact OD1-CB 3.28Å; N397-Q399 PolarHBondContact OD1-N 3.45Å; N397-D400 HydrophobicContact CB-CB 4.16Å; N397-D400 WeakPolarHBondContact CB-OD2 3.33Å; N397-D400 PolarHBondContact OD1-N 2.87Å; N397-C401 WeakPolarHBondContact O-CB 3.28Å; N397-C401 PolarHBondContact O-N 3Å; N397-C401 VanDerWaalsContact O-N 3.07Å; N397-Y434 PolarHBondContact O-OH 3.32Å
398	R	95.9	Very high	96.1	Very high	125 Å²	125	61.7 Å²	61.7	47%	0.472	33%	0.329	S	S	.	.	H	α-helix	trans	-58.6	-44	-178.8	-173.2	179.8	-177.2	-86.2	-5.1	113.2	E385 I388 V392 C401 H402	E385-R398 IonicContact OE1-NH2 3.33Å; E385-R398 PolarHBondContact OE1-NH2 3.41Å; E385-R398 IonicContact OE2-NH2 2.71Å; I388-R398 HydrophobicContact CG2-CG 3.87Å; V392-R398 HydrophobicContact CG2-CB 3.74Å; V392-R398 HydrophobicContact CG2-CG 4.21Å; R398-C401 PolarHBondContact O-N 3.16Å; R398-H402 WeakPolarHBondContact O-CB 3.43Å; R398-H402 PolarHBondContact O-N 2.86Å
399	Q	95.9	Very high	96.2	Very high	120 Å²	120	62.5 Å²	62.5	56%	0.561	34%	0.335	S	S	*	.	H	α-helix	trans	-72	-40.4	-173.7	-165	63.9	18.3	0	0	111.4	N397 C401 H402 E403	N397-Q399 PolarHBondContact O-N 3.31Å; N397-Q399 WeakPolarHBondContact OD1-CA 3.49Å; N397-Q399 WeakPolarHBondContact OD1-CB 3.28Å; N397-Q399 PolarHBondContact OD1-N 3.45Å; Q399-C401 VanDerWaalsContact C-N 3.34Å; Q399-H402 PolarHBondContact O-N 2.85Å; Q399-E403 PolarHBondContact O-N 3.2Å
400	D	96.3	Very high	96.3	Very high	93 Å²	93	63.4 Å²	63.4	50%	0.497	34%	0.337	S	S	.	.	H	α-helix	trans	-63.9	-41.9	175	-61.5	-24.7	0	0	0	111	N397 E403 K404 Y434	N397-D400 HydrophobicContact CB-CB 4.16Å; N397-D400 WeakPolarHBondContact CB-OD2 3.33Å; N397-D400 PolarHBondContact OD1-N 2.87Å; D400-E403 PolarHBondContact O-N 3.4Å; D400-K404 PolarHBondContact O-N 3.35Å; D400-K404 VanDerWaalsContact O-N 3.09Å; D400-Y434 HydrophobicContact CB-CE2 4.45Å
401	C	96.1	Very high	96.4	Very high	0 Å²	0	67 Å²	67	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-64.6	-44.3	177.8	-172.5	0	0	0	0	111.6	M391 N397 R398 Q399 K404 I405 Y434	M391-C401 HydrophobicContact CB-CB 4.39Å; N397-C401 WeakPolarHBondContact O-CB 3.28Å; N397-C401 PolarHBondContact O-N 3Å; N397-C401 VanDerWaalsContact O-N 3.07Å; R398-C401 PolarHBondContact O-N 3.16Å; Q399-C401 VanDerWaalsContact C-N 3.34Å; C401-K404 PolarHBondContact O-N 2.99Å; C401-I405 WeakPolarHBondContact O-CB 3.18Å; C401-I405 WeakPolarHBondContact O-CG2 3.42Å; C401-I405 PolarHBondContact O-N 2.98Å; C401-Y434 VanDerWaalsContact CA-OH 3.28Å; C401-Y434 WeakPolarHBondContact CA-OH 3.45Å; C401-Y434 HydrophobicContact CB-CE1 3.83Å; C401-Y434 VanDerWaalsContact CB-OH 3.32Å; C401-Y434 WeakPolarHBondContact CB-OH 3.49Å; C401-Y434 PolarHBondContact N-OH 2.92Å
402	H	96.9	Very high	96.4	Very high	70 Å²	70	66.7 Å²	66.7	32%	0.324	35%	0.352	S	S	.	.	H	α-helix	trans	-60.6	-46.2	178	177	-78.8	0	0	0	111.6	I388 R398 Q399 I405 R406	I388-H402 HydrophobicContact CD1-CB 4.16Å; R398-H402 WeakPolarHBondContact O-CB 3.43Å; R398-H402 PolarHBondContact O-N 2.86Å; Q399-H402 PolarHBondContact O-N 2.85Å; H402-I405 WeakPolarHBondContact O-CG2 3.41Å; H402-I405 PolarHBondContact O-N 3.36Å; H402-R406 VanDerWaalsContact O-CB 3.23Å; H402-R406 WeakPolarHBondContact O-CB 3.41Å; H402-R406 PolarHBondContact O-N 3.34Å
403	E	96.7	Very high	96.5	Very high	82 Å²	82	65 Å²	65	38%	0.383	35%	0.345	S	S	.	.	H	α-helix	trans	-66.6	-41.7	-179.2	-176.6	56.9	-163.5	0	0	112	Q399 D400 R406 V407	Q399-E403 PolarHBondContact O-N 3.2Å; D400-E403 PolarHBondContact O-N 3.4Å; E403-R406 WeakPolarHBondContact O-CB 3.29Å; E403-R406 PolarHBondContact O-N 3.29Å; E403-R406 IonicContact OE1-CZ 3.75Å; E403-R406 IonicContact OE1-NE 2.82Å; E403-R406 PolarHBondContact OE1-NE 3.39Å; E403-R406 IonicContact OE1-NH2 2.55Å; E403-R406 PolarHBondContact OE1-NH2 3.45Å; E403-R406 IonicContact OE2-CZ 3.31Å; E403-R406 IonicContact OE2-NE 3.81Å; E403-R406 PolarHBondContact OE2-NE 2.99Å; E403-R406 IonicContact OE2-NH2 3Å; E403-V407 WeakPolarHBondContact O-CG2 3.39Å; E403-V407 PolarHBondContact O-N 2.98Å; E403-V407 VanDerWaalsContact O-N 3.12Å
404	K	96.9	Very high	96.6	Very high	75 Å²	75	59 Å²	59	33%	0.326	32%	0.322	S	S	.	.	H	α-helix	trans	-60.4	-50.2	174.9	-83.5	-179.2	155.4	-78.4	0	112.4	D400 C401 R406 V407 L408 D432 Y434 F435	D400-K404 PolarHBondContact O-N 3.35Å; D400-K404 VanDerWaalsContact O-N 3.09Å; C401-K404 PolarHBondContact O-N 2.99Å; K404-R406 VanDerWaalsContact C-N 3.27Å; K404-R406 PolarHBondContact O-N 3.5Å; K404-V407 PolarHBondContact O-N 3.31Å; K404-L408 WeakPolarHBondContact O-CG 3.34Å; K404-L408 PolarHBondContact O-N 2.98Å; K404-L408 VanDerWaalsContact O-N 3.12Å; K404-D432 IonicContact NZ-OD1 3.32Å; K404-D432 PolarHBondContact NZ-OD1 3.07Å; K404-D432 IonicContact NZ-OD2 2.73Å; K404-D432 PolarHBondContact NZ-OD2 2.94Å; K404-Y434 HydrophobicContact CD-CD1 3.53Å; K404-Y434 HydrophobicContact CD-CD2 3.48Å; K404-Y434 VanDerWaalsContact CD-CD2 3.48Å; K404-Y434 HydrophobicContact CD-CE1 3.97Å; K404-Y434 HydrophobicContact CD-CE2 3.92Å; K404-Y434 HydrophobicContact CD-CG 3.26Å; K404-F435 HydrophobicContact CB-CZ 4.24Å
405	I	96.1	Very high	96.7	Very high	5 Å²	5	57.6 Å²	57.6	3%	0.026	31%	0.308	C	S	.	.	H	α-helix	trans	-67	-31	-178.9	-155.6	169.2	0	0	0	111.7	T384 I387 I388 C401 H402 S409 F435	T384-I405 HydrophobicContact CG2-CD1 3.74Å; T384-I405 HydrophobicContact CG2-CG1 3.97Å; I387-I405 HydrophobicContact CB-CD1 3.81Å; I387-I405 HydrophobicContact CD1-CD1 4.1Å; I387-I405 HydrophobicContact CG2-CD1 3.56Å; I388-I405 HydrophobicContact CD1-CG2 3.95Å; I388-I405 HydrophobicContact CG1-CG2 4.1Å; C401-I405 WeakPolarHBondContact O-CB 3.18Å; C401-I405 WeakPolarHBondContact O-CG2 3.42Å; C401-I405 PolarHBondContact O-N 2.98Å; H402-I405 WeakPolarHBondContact O-CG2 3.41Å; H402-I405 PolarHBondContact O-N 3.36Å; I405-S409 VanDerWaalsContact O-CB 3.24Å; I405-S409 WeakPolarHBondContact O-CB 3.45Å; I405-S409 PolarHBondContact O-N 3.5Å; I405-S409 PolarHBondContact O-OG 2.98Å; I405-F435 HydrophobicContact CB-CZ 4.28Å
406	R	97.4	Very high	96.8	Very high	93 Å²	93	56.6 Å²	56.6	35%	0.351	29%	0.287	S	S	.	.	H	α-helix	trans	-60.8	-48.8	173.7	-173.4	-172.6	76.2	73.3	0.2	111.3	H402 E403 K404 S409 Q410	H402-R406 VanDerWaalsContact O-CB 3.23Å; H402-R406 WeakPolarHBondContact O-CB 3.41Å; H402-R406 PolarHBondContact O-N 3.34Å; E403-R406 WeakPolarHBondContact O-CB 3.29Å; E403-R406 PolarHBondContact O-N 3.29Å; E403-R406 IonicContact OE1-CZ 3.75Å; E403-R406 IonicContact OE1-NE 2.82Å; E403-R406 PolarHBondContact OE1-NE 3.39Å; E403-R406 IonicContact OE1-NH2 2.55Å; E403-R406 PolarHBondContact OE1-NH2 3.45Å; E403-R406 IonicContact OE2-CZ 3.31Å; E403-R406 IonicContact OE2-NE 3.81Å; E403-R406 PolarHBondContact OE2-NE 2.99Å; E403-R406 IonicContact OE2-NH2 3Å; K404-R406 VanDerWaalsContact C-N 3.27Å; K404-R406 PolarHBondContact O-N 3.5Å; R406-S409 PolarHBondContact O-N 3.02Å; R406-Q410 WeakPolarHBondContact O-CG 3.5Å; R406-Q410 PolarHBondContact O-N 3.25Å
407	V	97.7	Very high	96.9	Very high	54 Å²	54	63.8 Å²	63.8	33%	0.327	31%	0.311	S	S	.	.	H	α-helix	trans	-61.2	-50.4	178.3	173.6	0	0	0	0	110.6	E403 K404 S409 Q410 E411	E403-V407 WeakPolarHBondContact O-CG2 3.39Å; E403-V407 PolarHBondContact O-N 2.98Å; E403-V407 VanDerWaalsContact O-N 3.12Å; K404-V407 PolarHBondContact O-N 3.31Å; V407-S409 VanDerWaalsContact C-N 3.26Å; V407-S409 PolarHBondContact O-N 3.41Å; V407-Q410 PolarHBondContact O-N 2.86Å; V407-Q410 VanDerWaalsContact O-N 3.1Å; V407-E411 WeakPolarHBondContact O-CG 3.37Å; V407-E411 PolarHBondContact O-N 2.96Å
408	L	97.8	Very high	97	Very high	19 Å²	19	67.4 Å²	67.4	10%	0.099	33%	0.325	C	S	.	.	H	α-helix	trans	-60.5	-36.8	178.6	-62.2	-176.2	0	0	0	112.4	K404 E411 A412 L425 R428 V429 D432 F435	K404-L408 WeakPolarHBondContact O-CG 3.34Å; K404-L408 PolarHBondContact O-N 2.98Å; K404-L408 VanDerWaalsContact O-N 3.12Å; L408-E411 PolarHBondContact O-N 3.4Å; L408-A412 WeakPolarHBondContact O-CB 3.38Å; L408-A412 PolarHBondContact O-N 3.21Å; L408-L425 HydrophobicContact CB-CD1 3.72Å; L408-R428 HydrophobicContact CB-CB 4.44Å; L408-R428 HydrophobicContact CD1-CB 4.24Å; L408-R428 HydrophobicContact CD2-CB 4.15Å; L408-V429 HydrophobicContact CD1-CG2 4.13Å; L408-D432 HydrophobicContact CD1-CB 4.42Å; L408-F435 HydrophobicContact CD1-CE2 3.73Å; L408-F435 HydrophobicContact CD1-CZ 4.43Å
409	S	97.1	Very high	97.1	Very high	21 Å²	21	68.3 Å²	68.3	15%	0.147	34%	0.335	C	S	.	.	H	α-helix	trans	-67.2	-38.3	176.7	-60.6	0	0	0	0	112.1	I405 R406 V407 A413	I405-S409 VanDerWaalsContact O-CB 3.24Å; I405-S409 WeakPolarHBondContact O-CB 3.45Å; I405-S409 PolarHBondContact O-N 3.5Å; I405-S409 PolarHBondContact O-OG 2.98Å; R406-S409 PolarHBondContact O-N 3.02Å; V407-S409 VanDerWaalsContact C-N 3.26Å; V407-S409 PolarHBondContact O-N 3.41Å; S409-A413 WeakPolarHBondContact O-CB 3.45Å; S409-A413 PolarHBondContact O-N 3.35Å
410	Q	97.3	Very high	97.1	Very high	112 Å²	112	65.9 Å²	65.9	52%	0.523	34%	0.342	S	S	.	.	H	α-helix	trans	-66.9	-40.4	176.2	-74	-178.6	-21.8	0	0	111.8	R406 V407 A413 A414	R406-Q410 WeakPolarHBondContact O-CG 3.5Å; R406-Q410 PolarHBondContact O-N 3.25Å; V407-Q410 PolarHBondContact O-N 2.86Å; V407-Q410 VanDerWaalsContact O-N 3.1Å; Q410-A413 PolarHBondContact O-N 3.48Å; Q410-A414 WeakPolarHBondContact O-CB 3.4Å; Q410-A414 PolarHBondContact O-N 3.38Å
411	E	97.7	Very high	97.1	Very high	79 Å²	79	62.9 Å²	62.9	37%	0.369	33%	0.333	S	S	.	.	H	α-helix	trans	-63.5	-48.8	174.8	-66.1	172	176.6	0	0	111.5	V407 L408 A413 A414 V415 R428	V407-E411 WeakPolarHBondContact O-CG 3.37Å; V407-E411 PolarHBondContact O-N 2.96Å; L408-E411 PolarHBondContact O-N 3.4Å; E411-A413 VanDerWaalsContact C-N 3.33Å; E411-A413 PolarHBondContact O-N 2.85Å; E411-A414 WeakPolarHBondContact O-CB 3.32Å; E411-A414 PolarHBondContact O-N 3.25Å; E411-A414 VanDerWaalsContact O-N 3.12Å; E411-V415 PolarHBondContact O-N 3.07Å; E411-R428 IonicContact OE2-CZ 2.78Å; E411-R428 IonicContact OE2-NH1 3.09Å; E411-R428 PolarHBondContact OE2-NH1 3.05Å
412	A	97.6	Very high	97.1	Very high	0 Å²	0	68 Å²	68	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-61.9	-40.4	177	0	0	0	0	0	112.1	F381 L408 A414 V415 V416 D424 L425	F381-A412 HydrophobicContact CE1-CB 4.07Å; F381-A412 HydrophobicContact CZ-CB 4.19Å; L408-A412 WeakPolarHBondContact O-CB 3.38Å; L408-A412 PolarHBondContact O-N 3.21Å; A412-A414 VanDerWaalsContact C-N 3.29Å; A412-A414 PolarHBondContact O-N 3.27Å; A412-V415 PolarHBondContact O-N 3.46Å; A412-V416 WeakPolarHBondContact O-CG2 3.46Å; A412-V416 PolarHBondContact O-N 3.18Å; A412-D424 WeakPolarHBondContact CA-OD1 3.34Å; A412-D424 VanDerWaalsContact CB-OD1 3.29Å; A412-D424 WeakPolarHBondContact CB-OD1 3.07Å; A412-L425 HydrophobicContact CB-CB 3.76Å
413	A	96.8	Very high	97.1	Very high	26 Å²	26	65.9 Å²	65.9	22%	0.215	35%	0.352	C	S	.	.	H	α-helix	trans	-64.8	-33.6	175	0	0	0	0	0	112.5	F381 S409 Q410 E411 K417	F381-A413 HydrophobicContact CE1-CB 4.48Å; F381-A413 HydrophobicContact CZ-CB 4.2Å; S409-A413 WeakPolarHBondContact O-CB 3.45Å; S409-A413 PolarHBondContact O-N 3.35Å; Q410-A413 PolarHBondContact O-N 3.48Å; E411-A413 VanDerWaalsContact C-N 3.33Å; E411-A413 PolarHBondContact O-N 2.85Å; A413-K417 WeakPolarHBondContact O-CB 3.26Å; A413-K417 WeakPolarHBondContact O-CG 3.49Å; A413-K417 PolarHBondContact O-N 3.31Å
414	A	97.5	Very high	97.1	Very high	31 Å²	31	64.1 Å²	64.1	26%	0.256	35%	0.345	S	S	.	.	H	α-helix	trans	-67.1	-42.9	174	0	0	0	0	0	111.2	Q410 E411 A412 V416 K417 Q418	Q410-A414 WeakPolarHBondContact O-CB 3.4Å; Q410-A414 PolarHBondContact O-N 3.38Å; E411-A414 WeakPolarHBondContact O-CB 3.32Å; E411-A414 PolarHBondContact O-N 3.25Å; E411-A414 VanDerWaalsContact O-N 3.12Å; A412-A414 VanDerWaalsContact C-N 3.29Å; A412-A414 PolarHBondContact O-N 3.27Å; A414-V416 VanDerWaalsContact C-N 3.35Å; A414-V416 PolarHBondContact O-N 3.33Å; A414-K417 PolarHBondContact O-N 2.83Å; A414-Q418 WeakPolarHBondContact O-CA 3.49Å; A414-Q418 WeakPolarHBondContact O-CB 3.48Å; A414-Q418 PolarHBondContact O-N 3.22Å
415	V	97.9	Very high	97.2	Very high	18 Å²	18	60.6 Å²	60.6	11%	0.109	33%	0.33	C	S	.	.	I	π-helix	trans	-56.5	-48.6	173.5	172.9	0	0	0	0	110.9	E411 A412 K417 E419 G420 G421	E411-V415 PolarHBondContact O-N 3.07Å; A412-V415 PolarHBondContact O-N 3.46Å; V415-K417 PolarHBondContact O-N 2.98Å; V415-E419 CarbonylContact O-C 3.59Å; V415-E419 WeakPolarHBondContact O-CA 3.42Å; V415-E419 VanDerWaalsContact O-CB 3.3Å; V415-E419 WeakPolarHBondContact O-CB 3.42Å; V415-E419 PolarHBondContact O-N 3.38Å; V415-E419 VanDerWaalsContact O-N 3.1Å; V415-G420 PolarHBondContact O-N 3.09Å; V415-G420 VanDerWaalsContact O-N 3.11Å; V415-G421 PolarHBondContact O-N 3.17Å
416	V	97.3	Very high	97.1	Very high	52 Å²	52	62.5 Å²	62.5	32%	0.315	34%	0.34	S	S	.	.	I	π-helix	trans	-61.7	-46.8	179.1	173.9	0	0	0	0	111.7	A412 A414 G420 N423	A412-V416 WeakPolarHBondContact O-CG2 3.46Å; A412-V416 PolarHBondContact O-N 3.18Å; A414-V416 VanDerWaalsContact C-N 3.35Å; A414-V416 PolarHBondContact O-N 3.33Å; V416-G420 WeakPolarHBondContact O-CA 3.42Å; V416-G420 PolarHBondContact O-N 3.16Å; V416-N423 HydrophobicContact CG2-CB 4.11Å
417	K	96.3	Very high	97	Very high	178 Å²	178	59.6 Å²	59.6	77%	0.774	34%	0.335	S	S	*	.	I	π-helix	trans	-87.4	-32.5	-170.1	-67.9	-179.8	-179.7	-179.8	0	114.7	A413 A414 V415	A413-K417 WeakPolarHBondContact O-CB 3.26Å; A413-K417 WeakPolarHBondContact O-CG 3.49Å; A413-K417 PolarHBondContact O-N 3.31Å; A414-K417 PolarHBondContact O-N 2.83Å; V415-K417 PolarHBondContact O-N 2.98Å
418	Q	97.8	Very high	97	Very high	162 Å²	162	60 Å²	60	76%	0.757	33%	0.331	S	S	*	.	I	π-helix	trans	-100.1	-31.3	-175.1	-57	-175.2	2.3	0	0	112	A414	A414-Q418 WeakPolarHBondContact O-CA 3.49Å; A414-Q418 WeakPolarHBondContact O-CB 3.48Å; A414-Q418 PolarHBondContact O-N 3.22Å
419	E	97.6	Very high	96.9	Very high	145 Å²	145	59.1 Å²	59.1	68%	0.678	33%	0.326	S	S	*	.	I	π-helix	trans	-108.3	-15.2	-174.8	-51.9	176.8	-164.3	0	0	112.6	V415 G421	V415-E419 CarbonylContact O-C 3.59Å; V415-E419 WeakPolarHBondContact O-CA 3.42Å; V415-E419 VanDerWaalsContact O-CB 3.3Å; V415-E419 WeakPolarHBondContact O-CB 3.42Å; V415-E419 PolarHBondContact O-N 3.38Å; V415-E419 VanDerWaalsContact O-N 3.1Å; E419-G421 VanDerWaalsContact C-N 3.25Å; E419-G421 PolarHBondContact O-N 2.78Å
420	G	95.9	Very high	96.8	Very high	69 Å²	69	62.8 Å²	62.8	71%	0.711	34%	0.341	S	S	*	.			trans	70.2	22.5	-176	0	0	0	0	0	113.3	V415 V416	V415-G420 PolarHBondContact O-N 3.09Å; V415-G420 VanDerWaalsContact O-N 3.11Å; V416-G420 WeakPolarHBondContact O-CA 3.42Å; V416-G420 PolarHBondContact O-N 3.16Å
421	G	97	Very high	96.8	Very high	30 Å²	30	67.3 Å²	67.3	31%	0.309	35%	0.353	S	S	.	.			trans	-80.9	169.3	177	0	0	0	0	0	113.5	V415 E419	V415-G421 PolarHBondContact O-N 3.17Å; E419-G421 VanDerWaalsContact C-N 3.25Å; E419-G421 PolarHBondContact O-N 2.78Å
422	D	96.6	Very high	96.7	Very high	107 Å²	107	65 Å²	65	57%	0.572	34%	0.344	S	S	*	.			trans	-71.4	157.4	169.9	-70.9	-35.4	0	0	0	110.9	H377 D424	H377-D422 IonicContact CE1-OD1 2.89Å; H377-D422 PolarHBondContact CE1-OD1 3.3Å; H377-D422 IonicContact NE2-OD1 2.99Å; D422-D424 PolarHBondContact O-N 3.42Å; D422-D424 VanDerWaalsContact O-N 3.15Å
423	N	97	Very high	96.6	Very high	26 Å²	26	70 Å²	70	14%	0.139	38%	0.376	C	S	.	.			trans	-66	112.8	175.2	-176.2	-7.2	0	0	0	110.9	H377 F381 V416 L425	H377-N423 VanDerWaalsContact O-CB 3.25Å; H377-N423 WeakPolarHBondContact O-CB 3.37Å; H377-N423 PolarHBondContact O-ND2 3.05Å; F381-N423 VanDerWaalsContact CD2-ND2 3.34Å; F381-N423 WeakPolarHBondContact CD2-ND2 3.42Å; F381-N423 WeakPolarHBondContact CE2-ND2 3.24Å; F381-N423 WeakPolarHBondContact CZ-ND2 3.33Å; V416-N423 HydrophobicContact CG2-CB 4.11Å; N423-L425 VanDerWaalsContact OD1-CB 3.23Å; N423-L425 WeakPolarHBondContact OD1-CB 3.49Å; N423-L425 PolarHBondContact OD1-N 3.42Å
424	D	96.9	Very high	96.6	Very high	45 Å²	45	71.2 Å²	71.2	24%	0.241	38%	0.376	C	S	.	.			trans	-102.2	9.9	-177.7	73.1	-12.6	0	0	0	113.9	A412 D422 L426 A427 R428	A412-D424 WeakPolarHBondContact CA-OD1 3.34Å; A412-D424 VanDerWaalsContact CB-OD1 3.29Å; A412-D424 WeakPolarHBondContact CB-OD1 3.07Å; D422-D424 PolarHBondContact O-N 3.42Å; D422-D424 VanDerWaalsContact O-N 3.15Å; D424-L426 VanDerWaalsContact C-N 3.27Å; D424-L426 PolarHBondContact O-N 3.18Å; D424-A427 WeakPolarHBondContact O-CB 3.16Å; D424-A427 PolarHBondContact O-N 3.2Å; D424-R428 VanDerWaalsContact CG-NE 3.27Å; D424-R428 PolarHBondContact O-N 3.46Å; D424-R428 IonicContact OD1-CZ 3.64Å; D424-R428 IonicContact OD1-NE 2.94Å; D424-R428 PolarHBondContact OD1-NE 3.14Å; D424-R428 IonicContact OD1-NH2 3.44Å; D424-R428 IonicContact OD2-CZ 3.9Å; D424-R428 IonicContact OD2-NE 3.5Å; D424-R428 PolarHBondContact OD2-NE 3.08Å; D424-R428 VanDerWaalsContact OD2-NE 3.09Å; D424-R428 IonicContact OD2-NH2 3.79Å; D424-R428 PolarHBondContact OD2-NH2 3.07Å
425	L	97.1	Very high	96.6	Very high	1 Å²	1	69.8 Å²	69.8	1%	0.005	36%	0.363	C	S	.	.	H	α-helix	trans	-52.7	-44.1	-177.2	175.7	56.7	0	0	0	112.4	P380 F381 T384 L408 A412 N423 A427 R428 V429	P380-L425 HydrophobicContact CB-CB 4.11Å; P380-L425 HydrophobicContact CB-CD2 4.08Å; P380-L425 HydrophobicContact CB-CG 4.36Å; P380-L425 WeakPolarHBondContact O-CD2 3.42Å; F381-L425 HydrophobicContact CD1-CD2 3.64Å; F381-L425 HydrophobicContact CE1-CB 4.43Å; F381-L425 HydrophobicContact CE1-CD2 3.98Å; T384-L425 HydrophobicContact CG2-CD2 4.27Å; L408-L425 HydrophobicContact CB-CD1 3.72Å; A412-L425 HydrophobicContact CB-CB 3.76Å; N423-L425 VanDerWaalsContact OD1-CB 3.23Å; N423-L425 WeakPolarHBondContact OD1-CB 3.49Å; N423-L425 PolarHBondContact OD1-N 3.42Å; L425-A427 VanDerWaalsContact C-N 3.34Å; L425-A427 PolarHBondContact O-N 3.06Å; L425-R428 WeakPolarHBondContact O-CB 3.4Å; L425-R428 PolarHBondContact O-N 2.97Å; L425-V429 HydrophobicContact CD1-CG2 4.16Å; L425-V429 WeakPolarHBondContact O-CG2 3.32Å; L425-V429 PolarHBondContact O-N 3.19Å
426	L	94.8	Very high	96.5	Very high	45 Å²	45	73 Å²	73	24%	0.236	38%	0.383	C	S	.	.	H	α-helix	trans	-64	-40.5	179.7	-174.4	58.6	0	0	0	112	D424 R428 V429 Q430 L442 L446	D424-L426 VanDerWaalsContact C-N 3.27Å; D424-L426 PolarHBondContact O-N 3.18Å; L426-R428 VanDerWaalsContact C-N 3.28Å; L426-R428 PolarHBondContact O-N 3.23Å; L426-V429 PolarHBondContact O-N 3.39Å; L426-Q430 WeakPolarHBondContact O-CB 3.36Å; L426-Q430 VanDerWaalsContact O-CG 3.27Å; L426-Q430 WeakPolarHBondContact O-CG 3.26Å; L426-Q430 PolarHBondContact O-N 3.44Å; L426-L442 HydrophobicContact CD1-CB 4.38Å; L426-L442 HydrophobicContact CD1-CD1 3.94Å; L426-L442 HydrophobicContact CD1-CD2 4.19Å; L426-L442 HydrophobicContact CD1-CG 4.41Å; L426-L446 HydrophobicContact CD1-CD1 3.53Å; L426-L446 HydrophobicContact CD2-CD1 3.51Å; L426-L446 HydrophobicContact CG-CD1 4.09Å
427	A	95.6	Very high	96.5	Very high	31 Å²	31	74 Å²	74	26%	0.256	39%	0.391	S	S	.	.	H	α-helix	trans	-65.8	-34.2	176.7	0	0	0	0	0	111.5	D424 L425 R431	D424-A427 WeakPolarHBondContact O-CB 3.16Å; D424-A427 PolarHBondContact O-N 3.2Å; L425-A427 VanDerWaalsContact C-N 3.34Å; L425-A427 PolarHBondContact O-N 3.06Å; A427-R431 VanDerWaalsContact O-CG 3.26Å; A427-R431 WeakPolarHBondContact O-CG 3.48Å; A427-R431 PolarHBondContact O-N 3.26Å
428	R	97.3	Very high	96.4	Very high	62 Å²	62	65.5 Å²	65.5	23%	0.234	35%	0.354	C	S	.	.	H	α-helix	trans	-65.8	-47.6	172.8	-65.7	177.5	-175.3	-91.2	-13.5	111.5	L408 E411 D424 L425 L426 Q430 R431 D432	L408-R428 HydrophobicContact CB-CB 4.44Å; L408-R428 HydrophobicContact CD1-CB 4.24Å; L408-R428 HydrophobicContact CD2-CB 4.15Å; E411-R428 IonicContact OE2-CZ 2.78Å; E411-R428 IonicContact OE2-NH1 3.09Å; E411-R428 PolarHBondContact OE2-NH1 3.05Å; D424-R428 VanDerWaalsContact CG-NE 3.27Å; D424-R428 PolarHBondContact O-N 3.46Å; D424-R428 IonicContact OD1-CZ 3.64Å; D424-R428 IonicContact OD1-NE 2.94Å; D424-R428 PolarHBondContact OD1-NE 3.14Å; D424-R428 IonicContact OD1-NH2 3.44Å; D424-R428 IonicContact OD2-CZ 3.9Å; D424-R428 IonicContact OD2-NE 3.5Å; D424-R428 PolarHBondContact OD2-NE 3.08Å; D424-R428 VanDerWaalsContact OD2-NE 3.09Å; D424-R428 IonicContact OD2-NH2 3.79Å; D424-R428 PolarHBondContact OD2-NH2 3.07Å; L425-R428 WeakPolarHBondContact O-CB 3.4Å; L425-R428 PolarHBondContact O-N 2.97Å; L426-R428 VanDerWaalsContact C-N 3.28Å; L426-R428 PolarHBondContact O-N 3.23Å; R428-Q430 VanDerWaalsContact C-N 3.3Å; R428-Q430 PolarHBondContact O-N 3.09Å; R428-R431 PolarHBondContact O-N 3.14Å; R428-R431 VanDerWaalsContact O-N 3.12Å; R428-D432 PolarHBondContact O-N 3.31Å
429	V	95.6	Very high	96.2	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.006	33%	0.334	C	S	.	.	H	α-helix	trans	-58.2	-42.5	175.9	169.2	0	0	0	0	111.1	L408 L425 L426 R431 D432 F435 L442	L408-V429 HydrophobicContact CD1-CG2 4.13Å; L425-V429 HydrophobicContact CD1-CG2 4.16Å; L425-V429 WeakPolarHBondContact O-CG2 3.32Å; L425-V429 PolarHBondContact O-N 3.19Å; L426-V429 PolarHBondContact O-N 3.39Å; V429-R431 VanDerWaalsContact C-N 3.26Å; V429-R431 PolarHBondContact O-N 3.39Å; V429-D432 PolarHBondContact O-N 3.4Å; V429-F435 HydrophobicContact CB-CD2 4.41Å; V429-F435 HydrophobicContact CG1-CB 3.87Å; V429-F435 HydrophobicContact CG1-CD1 4.12Å; V429-F435 HydrophobicContact CG1-CD2 3.98Å; V429-F435 HydrophobicContact CG1-CG 3.73Å; V429-F435 HydrophobicContact CG2-CE2 4.42Å; V429-L442 HydrophobicContact CG1-CD1 4.47Å; V429-L442 HydrophobicContact CG1-CD2 4.23Å
430	Q	95.3	Very high	96	Very high	99 Å²	99	58.1 Å²	58.1	46%	0.463	34%	0.344	S	S	.	.	H	α-helix	trans	-64.8	-26.2	178.1	-75.1	172.3	-20.7	0	0	114.1	L426 R428 L439 L442	L426-Q430 WeakPolarHBondContact O-CB 3.36Å; L426-Q430 VanDerWaalsContact O-CG 3.27Å; L426-Q430 WeakPolarHBondContact O-CG 3.26Å; L426-Q430 PolarHBondContact O-N 3.44Å; R428-Q430 VanDerWaalsContact C-N 3.3Å; R428-Q430 PolarHBondContact O-N 3.09Å; Q430-L439 HydrophobicContact CB-CD2 4.49Å; Q430-L439 HydrophobicContact CG-CD2 4.38Å; Q430-L442 HydrophobicContact CG-CD1 3.6Å
431	R	96.5	Very high	95.9	Very high	206 Å²	206	58.7 Å²	58.7	78%	0.777	33%	0.328	S	S	*	.	H	α-helix	trans	-94.7	-22.5	-178.3	-69.6	172.7	-173.2	172.3	3.8	113.6	A427 R428 V429 P433	A427-R431 VanDerWaalsContact O-CG 3.26Å; A427-R431 WeakPolarHBondContact O-CG 3.48Å; A427-R431 PolarHBondContact O-N 3.26Å; R428-R431 PolarHBondContact O-N 3.14Å; R428-R431 VanDerWaalsContact O-N 3.12Å; V429-R431 VanDerWaalsContact C-N 3.26Å; V429-R431 PolarHBondContact O-N 3.39Å; R431-P433 WeakPolarHBondContact O-CD 3.13Å
432	D	96.4	Very high	95.6	Very high	32 Å²	32	57.4 Å²	57.4	17%	0.171	31%	0.314	C	S	.	.	S	Bend	trans	-77.5	117	177.6	-177.2	-26.8	0	0	0	109.7	K404 L408 R428 V429 Y434 F435	K404-D432 IonicContact NZ-OD1 3.32Å; K404-D432 PolarHBondContact NZ-OD1 3.07Å; K404-D432 IonicContact NZ-OD2 2.73Å; K404-D432 PolarHBondContact NZ-OD2 2.94Å; L408-D432 HydrophobicContact CD1-CB 4.42Å; R428-D432 PolarHBondContact O-N 3.31Å; V429-D432 PolarHBondContact O-N 3.4Å; D432-Y434 PolarHBondContact O-N 3.14Å; D432-Y434 WeakPolarHBondContact OD1-CB 3.3Å; D432-Y434 PolarHBondContact OD1-N 3.06Å; D432-F435 HydrophobicContact CB-CD2 3.92Å; D432-F435 HydrophobicContact CB-CE2 4.22Å; D432-F435 PolarHBondContact O-N 3.5Å
433	P	96	Very high	95.3	Very high	103 Å²	103	59 Å²	59	67%	0.669	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-55.7	-22.7	-178	-26.2	35.3	0	0	0	114.4	R431 F435 T436	R431-P433 WeakPolarHBondContact O-CD 3.13Å; P433-F435 PolarHBondContact O-N 3.46Å; P433-T436 WeakPolarHBondContact O-CB 3.19Å; P433-T436 PolarHBondContact O-N 3.47Å; P433-T436 PolarHBondContact O-OG1 2.87Å
434	Y	96.4	Very high	95.1	Very high	53 Å²	53	61.1 Å²	61.1	21%	0.208	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-56.8	-35.4	176.5	-177.5	-95.5	0	0	0	112.8	M391 N397 D400 C401 K404 D432 P437	M391-Y434 HydrophobicContact CE-CD1 4Å; M391-Y434 HydrophobicContact CE-CE1 3.69Å; M391-Y434 WeakPolarHBondContact CE-O 3.31Å; N397-Y434 PolarHBondContact O-OH 3.32Å; D400-Y434 HydrophobicContact CB-CE2 4.45Å; C401-Y434 VanDerWaalsContact CA-OH 3.28Å; C401-Y434 WeakPolarHBondContact CA-OH 3.45Å; C401-Y434 HydrophobicContact CB-CE1 3.83Å; C401-Y434 VanDerWaalsContact CB-OH 3.32Å; C401-Y434 WeakPolarHBondContact CB-OH 3.49Å; C401-Y434 PolarHBondContact N-OH 2.92Å; K404-Y434 HydrophobicContact CD-CD1 3.53Å; K404-Y434 HydrophobicContact CD-CD2 3.48Å; K404-Y434 VanDerWaalsContact CD-CD2 3.48Å; K404-Y434 HydrophobicContact CD-CE1 3.97Å; K404-Y434 HydrophobicContact CD-CE2 3.92Å; K404-Y434 HydrophobicContact CD-CG 3.26Å; D432-Y434 PolarHBondContact O-N 3.14Å; D432-Y434 WeakPolarHBondContact OD1-CB 3.3Å; D432-Y434 PolarHBondContact OD1-N 3.06Å; Y434-P437 WeakPolarHBondContact O-CD 3.34Å
435	F	96.8	Very high	95	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-90.9	6.9	-176.5	-59.4	-81.1	0	0	0	114	I387 M391 K404 I405 L408 V429 D432 P433 P437 I438 L439	I387-F435 HydrophobicContact CG2-CD1 4.21Å; I387-F435 HydrophobicContact CG2-CE1 4.09Å; M391-F435 HydrophobicContact CG-CD1 3.91Å; M391-F435 HydrophobicContact CG-CE1 4.32Å; M391-F435 HydrophobicContact SD-CD1 4.07Å; K404-F435 HydrophobicContact CB-CZ 4.24Å; I405-F435 HydrophobicContact CB-CZ 4.28Å; L408-F435 HydrophobicContact CD1-CE2 3.73Å; L408-F435 HydrophobicContact CD1-CZ 4.43Å; V429-F435 HydrophobicContact CB-CD2 4.41Å; V429-F435 HydrophobicContact CG1-CB 3.87Å; V429-F435 HydrophobicContact CG1-CD1 4.12Å; V429-F435 HydrophobicContact CG1-CD2 3.98Å; V429-F435 HydrophobicContact CG1-CG 3.73Å; V429-F435 HydrophobicContact CG2-CE2 4.42Å; D432-F435 HydrophobicContact CB-CD2 3.92Å; D432-F435 HydrophobicContact CB-CE2 4.22Å; D432-F435 PolarHBondContact O-N 3.5Å; P433-F435 PolarHBondContact O-N 3.46Å; F435-P437 VanDerWaalsContact C-N 3.27Å; F435-P437 VanDerWaalsContact O-N 3.12Å; F435-I438 HydrophobicContact CB-CD1 4.39Å; F435-I438 HydrophobicContact CB-CG1 4.15Å; F435-I438 HydrophobicContact CD1-CD1 4.07Å; F435-I438 WeakPolarHBondContact O-CG1 3.27Å; F435-I438 PolarHBondContact O-N 3.4Å; F435-L439 PolarHBondContact O-N 3.44Å
436	T	96.3	Very high	94.8	Very high	86 Å²	86	61.5 Å²	61.5	53%	0.528	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-44.9	-43.2	176.6	-57.1	0	0	0	0	113.9	P433 I438 L439	P433-T436 WeakPolarHBondContact O-CB 3.19Å; P433-T436 PolarHBondContact O-N 3.47Å; P433-T436 PolarHBondContact O-OG1 2.87Å; T436-I438 PolarHBondContact O-N 3.46Å; T436-I438 VanDerWaalsContact O-N 3.14Å; T436-L439 PolarHBondContact O-N 2.9Å
437	P	96.8	Very high	94.9	Very high	73 Å²	73	62.4 Å²	62.4	47%	0.474	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-62.8	-22	-176.8	-24	35.6	0	0	0	115.4	M391 A394 Y434 F435	M391-P437 HydrophobicContact CE-CG 4.28Å; A394-P437 HydrophobicContact CB-CB 3.69Å; Y434-P437 WeakPolarHBondContact O-CD 3.34Å; F435-P437 VanDerWaalsContact C-N 3.27Å; F435-P437 VanDerWaalsContact O-N 3.12Å
438	I	95.5	Very high	94.9	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-111.3	-0.2	-174.9	63.7	158	0	0	0	113.6	I387 A390 M391 A394 F435 T436 G440 Q441 L442	I387-I438 HydrophobicContact CG2-CD1 3.63Å; A390-I438 HydrophobicContact CB-CB 4.46Å; A390-I438 HydrophobicContact CB-CG2 3.75Å; M391-I438 HydrophobicContact CG-CD1 3.94Å; M391-I438 HydrophobicContact CG-CG1 4.27Å; M391-I438 HydrophobicContact CG-CG2 4.09Å; M391-I438 HydrophobicContact SD-CB 4.23Å; M391-I438 HydrophobicContact SD-CD1 4.04Å; M391-I438 HydrophobicContact SD-CG1 3.7Å; M391-I438 HydrophobicContact SD-CG2 3.59Å; M391-I438 VanDerWaalsContact SD-CG2 3.59Å; A394-I438 HydrophobicContact CB-CG2 4.47Å; F435-I438 HydrophobicContact CB-CD1 4.39Å; F435-I438 HydrophobicContact CB-CG1 4.15Å; F435-I438 HydrophobicContact CD1-CD1 4.07Å; F435-I438 WeakPolarHBondContact O-CG1 3.27Å; F435-I438 PolarHBondContact O-N 3.4Å; T436-I438 PolarHBondContact O-N 3.46Å; T436-I438 VanDerWaalsContact O-N 3.14Å; I438-G440 PolarHBondContact O-N 3.2Å; I438-Q441 WeakPolarHBondContact O-CA 3.46Å; I438-Q441 WeakPolarHBondContact O-CB 3.05Å; I438-Q441 PolarHBondContact O-N 2.81Å; I438-L442 HydrophobicContact CD1-CD2 3.97Å; I438-L442 HydrophobicContact CG1-CD2 4.48Å; I438-L442 PolarHBondContact O-N 3.41Å
439	L	93.4	Very high	94.9	Very high	65 Å²	65	62.8 Å²	62.8	34%	0.34	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-56.6	-38.1	-174.6	-65.6	-177.7	0	0	0	112.7	Q430 F435 T436 Q441 L442	Q430-L439 HydrophobicContact CB-CD2 4.49Å; Q430-L439 HydrophobicContact CG-CD2 4.38Å; F435-L439 PolarHBondContact O-N 3.44Å; T436-L439 PolarHBondContact O-N 2.9Å; L439-Q441 PolarHBondContact O-N 3.49Å; L439-L442 HydrophobicContact CD2-CD1 3.79Å; L439-L442 PolarHBondContact O-N 3.04Å
440	G	93.6	Very high	94.9	Very high	86 Å²	86	66.6 Å²	66.6	89%	0.887	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-71.7	-5.9	176.4	0	0	0	0	0	115.1	I438	I438-G440 PolarHBondContact O-N 3.2Å
441	Q	93.4	Very high	95	Very high	82 Å²	82	62.8 Å²	62.8	38%	0.383	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-109.1	-10	-178.8	-56.6	178.7	47	0	0	112.6	I438 L439 D443 A444 L445	I438-Q441 WeakPolarHBondContact O-CA 3.46Å; I438-Q441 WeakPolarHBondContact O-CB 3.05Å; I438-Q441 PolarHBondContact O-N 2.81Å; L439-Q441 PolarHBondContact O-N 3.49Å; Q441-D443 VanDerWaalsContact C-N 3.32Å; Q441-D443 PolarHBondContact O-N 3.21Å; Q441-A444 PolarHBondContact O-N 2.82Å; Q441-L445 HydrophobicContact CB-CD1 4.05Å; Q441-L445 HydrophobicContact CB-CG 4.28Å; Q441-L445 WeakPolarHBondContact O-CG 3.25Å; Q441-L445 PolarHBondContact O-N 3.04Å
442	L	90.6	Very high	95.1	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.01	33%	0.333	C	S	.	.	H	α-helix	trans	-57.9	-40.9	-170.4	-72	176.4	0	0	0	113.3	L426 V429 Q430 I438 L439 A444 L445 L446	L426-L442 HydrophobicContact CD1-CB 4.38Å; L426-L442 HydrophobicContact CD1-CD1 3.94Å; L426-L442 HydrophobicContact CD1-CD2 4.19Å; L426-L442 HydrophobicContact CD1-CG 4.41Å; V429-L442 HydrophobicContact CG1-CD1 4.47Å; V429-L442 HydrophobicContact CG1-CD2 4.23Å; Q430-L442 HydrophobicContact CG-CD1 3.6Å; I438-L442 HydrophobicContact CD1-CD2 3.97Å; I438-L442 HydrophobicContact CG1-CD2 4.48Å; I438-L442 PolarHBondContact O-N 3.41Å; L439-L442 HydrophobicContact CD2-CD1 3.79Å; L439-L442 PolarHBondContact O-N 3.04Å; L442-A444 VanDerWaalsContact C-N 3.32Å; L442-A444 PolarHBondContact O-N 3.47Å; L442-L445 PolarHBondContact O-N 3.47Å; L442-L446 WeakPolarHBondContact O-CB 3.49Å; L442-L446 WeakPolarHBondContact O-CD1 3.43Å; L442-L446 WeakPolarHBondContact O-CG 3.48Å; L442-L446 PolarHBondContact O-N 2.96Å; L442-L446 VanDerWaalsContact O-N 3.08Å
443	D	90.6	Very high	95.1	Very high	140 Å²	140	55.2 Å²	55.2	75%	0.749	36%	0.355	S	S	*	.	H	α-helix	trans	-62.2	-40.8	178	-68.9	-20.9	0	0	0	111.8	Q441 L446 D447	Q441-D443 VanDerWaalsContact C-N 3.32Å; Q441-D443 PolarHBondContact O-N 3.21Å; D443-L446 PolarHBondContact O-N 2.94Å; D443-D447 PolarHBondContact O-N 2.89Å
444	A	93	Very high	95.2	Very high	71 Å²	71	58.3 Å²	58.3	59%	0.587	35%	0.353	S	S	*	.	H	α-helix	trans	-71.1	-38.7	177.5	0	0	0	0	0	112	Q441 L442 L446 D447	Q441-A444 PolarHBondContact O-N 2.82Å; L442-A444 VanDerWaalsContact C-N 3.32Å; L442-A444 PolarHBondContact O-N 3.47Å; A444-L446 PolarHBondContact O-N 3.5Å; A444-D447 PolarHBondContact O-N 3.09Å
445	L	93.4	Very high	95.4	Very high	30 Å²	30	56 Å²	56	16%	0.157	35%	0.345	C	S	.	.	H	α-helix	trans	-67.7	-18.4	177.4	-67.6	171.7	0	0	0	113.1	N386 A390 Q441 L442 F451	N386-L445 HydrophobicContact CB-CD2 4.36Å; A390-L445 HydrophobicContact CB-CD1 3.63Å; A390-L445 HydrophobicContact CB-CD2 4.07Å; A390-L445 HydrophobicContact CB-CG 4.5Å; Q441-L445 HydrophobicContact CB-CD1 4.05Å; Q441-L445 HydrophobicContact CB-CG 4.28Å; Q441-L445 WeakPolarHBondContact O-CG 3.25Å; Q441-L445 PolarHBondContact O-N 3.04Å; L442-L445 PolarHBondContact O-N 3.47Å; L445-F451 VanDerWaalsContact O-CE2 3.26Å; L445-F451 WeakPolarHBondContact O-CE2 3.33Å; L445-F451 WeakPolarHBondContact O-CZ 3.42Å
446	L	93.6	Very high	95.5	Very high	25 Å²	25	56.4 Å²	56.4	13%	0.131	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	11.4	179.8	-70.7	164.8	0	0	0	112.9	L379 A383 L426 L442 D443 A444 P448	L379-L446 WeakPolarHBondContact CD2-O 3.28Å; L379-L446 HydrophobicContact CG-CD2 4.28Å; A383-L446 HydrophobicContact CB-CD2 3.46Å; A383-L446 VanDerWaalsContact CB-CD2 3.46Å; A383-L446 HydrophobicContact CB-CG 4.49Å; L426-L446 HydrophobicContact CD1-CD1 3.53Å; L426-L446 HydrophobicContact CD2-CD1 3.51Å; L426-L446 HydrophobicContact CG-CD1 4.09Å; L442-L446 WeakPolarHBondContact O-CB 3.49Å; L442-L446 WeakPolarHBondContact O-CD1 3.43Å; L442-L446 WeakPolarHBondContact O-CG 3.48Å; L442-L446 PolarHBondContact O-N 2.96Å; L442-L446 VanDerWaalsContact O-N 3.08Å; D443-L446 PolarHBondContact O-N 2.94Å; A444-L446 PolarHBondContact O-N 3.5Å; L446-P448 WeakPolarHBondContact O-CD 3.23Å
447	D	95.8	Very high	95.6	Very high	63 Å²	63	57.4 Å²	57.4	34%	0.337	35%	0.346	S	S	.	.			trans	-65.7	113.3	174.1	176.8	7.1	0	0	0	109.8	D443 A444 S449 T450 F451	D443-D447 PolarHBondContact O-N 2.89Å; A444-D447 PolarHBondContact O-N 3.09Å; D447-S449 PolarHBondContact O-N 2.98Å; D447-S449 WeakPolarHBondContact OD1-CB 3.46Å; D447-S449 PolarHBondContact OD1-N 3.23Å; D447-S449 PolarHBondContact OD1-OG 3.28Å; D447-S449 PolarHBondContact OD2-OG 2.69Å; D447-T450 HydrophobicContact CB-CG2 4.2Å; D447-T450 PolarHBondContact O-N 3.06Å; D447-T450 PolarHBondContact O-OG1 3.29Å; D447-F451 WeakPolarHBondContact O-CD2 3.39Å
448	P	97	Very high	95.7	Very high	39 Å²	39	58.1 Å²	58.1	25%	0.253	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-55	-27.9	-180	-24.9	35.9	0	0	0	113.6	P155 L167 I375 L379 L446 T450 F451	P155-P448 HydrophobicContact CB-CB 3.98Å; P155-P448 HydrophobicContact CG-CB 4.06Å; L167-P448 HydrophobicContact CD1-CB 3.83Å; I375-P448 HydrophobicContact CG2-CB 4.1Å; I375-P448 HydrophobicContact CG2-CG 3.9Å; L379-P448 HydrophobicContact CD2-CB 4.37Å; L379-P448 HydrophobicContact CD2-CG 3.96Å; L446-P448 WeakPolarHBondContact O-CD 3.23Å; P448-T450 PolarHBondContact O-N 3.12Å; P448-F451 PolarHBondContact O-N 3.37Å; P448-F451 VanDerWaalsContact O-N 3.11Å
449	S	96.5	Very high	95.8	Very high	63 Å²	63	58.1 Å²	58.1	44%	0.441	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-63.8	-22.3	180	89.2	0	0	0	0	113.3	D447 I452	D447-S449 PolarHBondContact O-N 2.98Å; D447-S449 WeakPolarHBondContact OD1-CB 3.46Å; D447-S449 PolarHBondContact OD1-N 3.23Å; D447-S449 PolarHBondContact OD1-OG 3.28Å; D447-S449 PolarHBondContact OD2-OG 2.69Å; S449-I452 WeakPolarHBondContact O-CG1 3.36Å
450	T	96.1	Very high	96.1	Very high	81 Å²	81	58.1 Å²	58.1	50%	0.497	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-86.9	-12.1	177.8	66.3	0	0	0	0	113.4	D447 P448	D447-T450 HydrophobicContact CB-CG2 4.2Å; D447-T450 PolarHBondContact O-N 3.06Å; D447-T450 PolarHBondContact O-OG1 3.29Å; P448-T450 PolarHBondContact O-N 3.12Å
451	F	97.4	Very high	96.3	Very high	19 Å²	19	61.1 Å²	61.1	8%	0.083	33%	0.331	C	S	.	.	S	Bend	trans	-97.6	-2.3	-178	-71.8	-97.6	0	0	0	113.9	L167 L379 A383 N386 L445 D447 P448 G453	L167-F451 HydrophobicContact CB-CB 4.06Å; L167-F451 HydrophobicContact CD1-CB 3.81Å; L167-F451 HydrophobicContact CG-CB 3.87Å; L379-F451 HydrophobicContact CD1-CB 4.3Å; L379-F451 HydrophobicContact CD1-CD1 3.83Å; L379-F451 HydrophobicContact CD1-CD2 3.81Å; L379-F451 HydrophobicContact CD1-CE1 4.03Å; L379-F451 HydrophobicContact CD1-CE2 4.02Å; L379-F451 HydrophobicContact CD1-CG 3.71Å; L379-F451 HydrophobicContact CD1-CZ 4.12Å; L379-F451 HydrophobicContact CD2-CD2 4.35Å; L379-F451 HydrophobicContact CD2-CE2 4.37Å; L379-F451 HydrophobicContact CG-CE2 4.4Å; A383-F451 HydrophobicContact CB-CE1 4.08Å; A383-F451 HydrophobicContact CB-CZ 3.6Å; N386-F451 WeakPolarHBondContact ND2-CZ 3.35Å; L445-F451 VanDerWaalsContact O-CE2 3.26Å; L445-F451 WeakPolarHBondContact O-CE2 3.33Å; L445-F451 WeakPolarHBondContact O-CZ 3.42Å; D447-F451 WeakPolarHBondContact O-CD2 3.39Å; P448-F451 PolarHBondContact O-N 3.37Å; P448-F451 VanDerWaalsContact O-N 3.11Å; F451-G453 VanDerWaalsContact C-N 3.35Å
452	I	98.1	Very high	96.6	Very high	17 Å²	17	58.3 Å²	58.3	9%	0.087	32%	0.317	C	S	.	.	S	Bend	trans	-90.6	3.2	-178.3	58.3	167.4	0	0	0	113.7	P155 L167 T168 T169 S449 R454 A455 P456	P155-I452 HydrophobicContact CB-CG2 3.69Å; P155-I452 HydrophobicContact CG-CG2 4.01Å; L167-I452 HydrophobicContact CB-CG2 3.93Å; T168-I452 WeakPolarHBondContact O-CG2 3.11Å; T169-I452 HydrophobicContact CG2-CB 3.85Å; T169-I452 HydrophobicContact CG2-CD1 3.59Å; T169-I452 HydrophobicContact CG2-CG1 4.3Å; T169-I452 HydrophobicContact CG2-CG2 3.84Å; S449-I452 WeakPolarHBondContact O-CG1 3.36Å; I452-R454 PolarHBondContact O-N 2.68Å; I452-A455 HydrophobicContact CB-CB 4.43Å; I452-A455 WeakPolarHBondContact O-CB 3.45Å; I452-A455 PolarHBondContact O-N 2.88Å; I452-A455 VanDerWaalsContact O-N 3.07Å; I452-P456 HydrophobicContact CD1-CG 3.91Å
453	G	97.4	Very high	97	Very high	61 Å²	61	58.6 Å²	58.6	63%	0.629	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	-123.4	176.3	0	0	0	0	0	112.8	F451	F451-G453 VanDerWaalsContact C-N 3.35Å
454	R	98.4	Very high	97.4	Very high	168 Å²	168	55.2 Å²	55.2	63%	0.634	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	15.1	-179.1	-58.9	-169.9	68.5	-148.5	-0.4	113.9	I452 Q457 Q458	I452-R454 PolarHBondContact O-N 2.68Å; R454-Q457 PolarHBondContact O-N 3.48Å; R454-Q457 PolarHBondContact O-OE1 3.31Å; R454-Q458 HydrophobicContact CB-CG 4.3Å; R454-Q458 WeakPolarHBondContact O-CB 3.21Å; R454-Q458 WeakPolarHBondContact O-CG 3.26Å; R454-Q458 PolarHBondContact O-N 3.12Å
455	A	98.8	Very high	97.7	Very high	4 Å²	4	57 Å²	57	3%	0.033	30%	0.302	C	S	.	.	H	α-helix	trans	-53.7	-47.7	-171.2	0	0	0	0	0	113.3	T169 K172 I452 Q457 Q458 V459	T169-A455 HydrophobicContact CG2-CB 3.81Å; K172-A455 HydrophobicContact CB-CB 3.84Å; K172-A455 HydrophobicContact CG-CB 3.99Å; I452-A455 HydrophobicContact CB-CB 4.43Å; I452-A455 WeakPolarHBondContact O-CB 3.45Å; I452-A455 PolarHBondContact O-N 2.88Å; I452-A455 VanDerWaalsContact O-N 3.07Å; A455-Q457 PolarHBondContact O-N 3.03Å; A455-Q458 PolarHBondContact O-N 3.39Å; A455-V459 VanDerWaalsContact O-CG2 3.31Å; A455-V459 WeakPolarHBondContact O-CG2 3.24Å; A455-V459 PolarHBondContact O-N 3.31Å
456	P	98.8	Very high	97.9	Very high	10 Å²	10	59.7 Å²	59.7	7%	0.065	31%	0.314	C	S	.	.	H	α-helix	trans	-62.9	-43.2	179.2	-23.4	34.4	0	0	0	113.6	K152 D153 I452 Q458 V459 T460	K152-P456 HydrophobicContact CG-CB 4.41Å; D153-P456 WeakPolarHBondContact OD1-CB 3.39Å; D153-P456 VanDerWaalsContact OD1-CG 3.25Å; D153-P456 WeakPolarHBondContact OD1-CG 3.43Å; I452-P456 HydrophobicContact CD1-CG 3.91Å; P456-Q458 VanDerWaalsContact C-N 3.33Å; P456-Q458 PolarHBondContact O-N 2.92Å; P456-V459 WeakPolarHBondContact O-CB 3.23Å; P456-V459 PolarHBondContact O-N 3.28Å; P456-T460 PolarHBondContact O-N 2.97Å; P456-T460 PolarHBondContact O-OG1 2.9Å
457	Q	98.8	Very high	98.1	Very high	106 Å²	106	58.5 Å²	58.5	50%	0.495	31%	0.308	S	S	.	.	H	α-helix	trans	-68.7	-34.9	-179.2	-63.1	76.8	20.4	0	0	111.5	R454 A455 R461	R454-Q457 PolarHBondContact O-N 3.48Å; R454-Q457 PolarHBondContact O-OE1 3.31Å; A455-Q457 PolarHBondContact O-N 3.03Å; Q457-R461 VanDerWaalsContact O-CB 3.3Å; Q457-R461 WeakPolarHBondContact O-CB 3.29Å; Q457-R461 PolarHBondContact O-N 3.48Å
458	Q	98.9	Very high	98.3	Very high	89 Å²	89	59.8 Å²	59.8	42%	0.416	31%	0.308	S	S	.	.	H	α-helix	trans	-63.2	-42.8	172.9	-73.9	173.4	-14	0	0	111.4	K172 R454 A455 P456 F462	K172-Q458 HydrophobicContact CD-CB 4.06Å; R454-Q458 HydrophobicContact CB-CG 4.3Å; R454-Q458 WeakPolarHBondContact O-CB 3.21Å; R454-Q458 WeakPolarHBondContact O-CG 3.26Å; R454-Q458 PolarHBondContact O-N 3.12Å; A455-Q458 PolarHBondContact O-N 3.39Å; P456-Q458 VanDerWaalsContact C-N 3.33Å; P456-Q458 PolarHBondContact O-N 2.92Å; Q458-F462 WeakPolarHBondContact O-CB 3.36Å; Q458-F462 PolarHBondContact O-N 2.99Å
459	V	98.9	Very high	98.3	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-59.3	-56.1	175.6	173.6	0	0	0	0	110.1	A148 K152 K172 A455 P456 R461 F462 L463	A148-V459 HydrophobicContact CB-CG1 4.41Å; K152-V459 HydrophobicContact CB-CB 3.9Å; K152-V459 HydrophobicContact CB-CG1 3.71Å; K152-V459 HydrophobicContact CB-CG2 4.1Å; K172-V459 HydrophobicContact CB-CG2 3.93Å; K172-V459 HydrophobicContact CD-CG2 4.24Å; A455-V459 VanDerWaalsContact O-CG2 3.31Å; A455-V459 WeakPolarHBondContact O-CG2 3.24Å; A455-V459 PolarHBondContact O-N 3.31Å; P456-V459 WeakPolarHBondContact O-CB 3.23Å; P456-V459 PolarHBondContact O-N 3.28Å; V459-R461 VanDerWaalsContact C-N 3.33Å; V459-R461 PolarHBondContact O-N 3.42Å; V459-F462 PolarHBondContact O-N 3.45Å; V459-L463 HydrophobicContact CG1-CD1 3.81Å; V459-L463 HydrophobicContact CG1-CG 4.2Å; V459-L463 WeakPolarHBondContact O-CB 3.43Å; V459-L463 VanDerWaalsContact O-CG 3.29Å; V459-L463 WeakPolarHBondContact O-CG 3.44Å; V459-L463 PolarHBondContact O-N 2.86Å
460	T	98.9	Very high	98.4	Very high	64 Å²	64	59.7 Å²	59.7	39%	0.393	30%	0.304	S	S	.	.	H	α-helix	trans	-57.3	-46.3	-178	-64.9	0	0	0	0	112	P456 S464	P456-T460 PolarHBondContact O-N 2.97Å; P456-T460 PolarHBondContact O-OG1 2.9Å; T460-S464 WeakPolarHBondContact O-CB 3.44Å; T460-S464 PolarHBondContact O-N 3.46Å; T460-S464 PolarHBondContact O-OG 2.84Å
461	R	98.8	Very high	98.5	Very high	150 Å²	150	56.3 Å²	56.3	57%	0.566	28%	0.283	S	S	*	.	H	α-helix	trans	-61.5	-51.9	179.4	-172.2	177.9	179.8	-161.3	-11.6	111.7	Q457 V459 L463 S464 E465	Q457-R461 VanDerWaalsContact O-CB 3.3Å; Q457-R461 WeakPolarHBondContact O-CB 3.29Å; Q457-R461 PolarHBondContact O-N 3.48Å; V459-R461 VanDerWaalsContact C-N 3.33Å; V459-R461 PolarHBondContact O-N 3.42Å; R461-L463 PolarHBondContact O-N 3.15Å; R461-S464 PolarHBondContact O-N 3.42Å; R461-S464 PolarHBondContact O-OG 3.41Å; R461-E465 HydrophobicContact CG-CG 4.24Å; R461-E465 VanDerWaalsContact CG-OE1 3.23Å; R461-E465 WeakPolarHBondContact CG-OE1 3.33Å; R461-E465 IonicContact CZ-OE1 2.63Å; R461-E465 IonicContact CZ-OE2 3.2Å; R461-E465 VanDerWaalsContact NE-CD 3.27Å; R461-E465 IonicContact NE-OE1 2.97Å; R461-E465 PolarHBondContact NE-OE1 3.35Å; R461-E465 IonicContact NE-OE2 3.51Å; R461-E465 PolarHBondContact NE-OE2 3.26Å; R461-E465 IonicContact NH2-OE1 2.92Å; R461-E465 IonicContact NH2-OE2 3.75Å; R461-E465 PolarHBondContact NH2-OE2 3.2Å; R461-E465 WeakPolarHBondContact O-CB 3.37Å; R461-E465 PolarHBondContact O-N 3.12Å
462	F	98.9	Very high	98.5	Very high	23 Å²	23	60.8 Å²	60.8	10%	0.101	30%	0.304	C	S	.	.	H	α-helix	trans	-59.4	-44.6	-179.3	173.7	-115.1	0	0	0	112.3	C175 L178 Q179 Q458 V459 S464 E466 I467	C175-F462 HydrophobicContact CB-CD1 3.96Å; C175-F462 HydrophobicContact CB-CE1 4.18Å; L178-F462 HydrophobicContact CB-CE1 3.76Å; L178-F462 HydrophobicContact CB-CZ 4.3Å; L178-F462 HydrophobicContact CD1-CE1 4.47Å; Q179-F462 HydrophobicContact CB-CZ 4.14Å; Q458-F462 WeakPolarHBondContact O-CB 3.36Å; Q458-F462 PolarHBondContact O-N 2.99Å; V459-F462 PolarHBondContact O-N 3.45Å; F462-S464 VanDerWaalsContact C-N 3.34Å; F462-S464 PolarHBondContact O-N 2.68Å; F462-E466 HydrophobicContact CD2-CB 3.9Å; F462-E466 HydrophobicContact CD2-CG 4.11Å; F462-E466 HydrophobicContact CE2-CB 3.77Å; F462-E466 HydrophobicContact CE2-CG 4.21Å; F462-E466 WeakPolarHBondContact CE2-OE2 3.46Å; F462-E466 PolarHBondContact O-N 3Å; F462-I467 HydrophobicContact CD1-CG1 4.05Å; F462-I467 HydrophobicContact CE1-CD1 3.78Å; F462-I467 HydrophobicContact CE1-CG1 3.55Å; F462-I467 HydrophobicContact CE2-CD1 4.23Å; F462-I467 HydrophobicContact CE2-CG1 4.32Å; F462-I467 HydrophobicContact CZ-CD1 3.5Å; F462-I467 VanDerWaalsContact CZ-CD1 3.5Å; F462-I467 HydrophobicContact CZ-CG1 3.71Å; F462-I467 PolarHBondContact O-N 3.02Å
463	L	98.9	Very high	98.4	Very high	8 Å²	8	64.5 Å²	64.5	4%	0.042	33%	0.329	C	S	.	.	I	π-helix	trans	-60.4	-45.3	176.8	-67.2	-176.3	0	0	0	111.3	A145 A148 D149 L178 V459 R461 I467 R468	A145-L463 HydrophobicContact CB-CD2 3.79Å; A148-L463 HydrophobicContact CB-CD1 4.49Å; D149-L463 HydrophobicContact CB-CD1 3.72Å; L178-L463 HydrophobicContact CD1-CD2 3.78Å; V459-L463 HydrophobicContact CG1-CD1 3.81Å; V459-L463 HydrophobicContact CG1-CG 4.2Å; V459-L463 WeakPolarHBondContact O-CB 3.43Å; V459-L463 VanDerWaalsContact O-CG 3.29Å; V459-L463 WeakPolarHBondContact O-CG 3.44Å; V459-L463 PolarHBondContact O-N 2.86Å; R461-L463 PolarHBondContact O-N 3.15Å; L463-I467 HydrophobicContact CD2-CB 4.17Å; L463-I467 HydrophobicContact CD2-CG1 4.02Å; L463-I467 HydrophobicContact CD2-CG2 4.4Å; L463-I467 PolarHBondContact O-N 3.06Å; L463-R468 VanDerWaalsContact O-CG 3.31Å; L463-R468 WeakPolarHBondContact O-CG 3.35Å; L463-R468 PolarHBondContact O-N 3.28Å
464	S	98.7	Very high	98.5	Very high	68 Å²	68	62.4 Å²	62.4	48%	0.476	30%	0.303	S	S	.	.	I	π-helix	trans	-71.2	-41	-178.1	67.3	0	0	0	0	114.4	T460 R461 F462 P469	T460-S464 WeakPolarHBondContact O-CB 3.44Å; T460-S464 PolarHBondContact O-N 3.46Å; T460-S464 PolarHBondContact O-OG 2.84Å; R461-S464 PolarHBondContact O-N 3.42Å; R461-S464 PolarHBondContact O-OG 3.41Å; F462-S464 VanDerWaalsContact C-N 3.34Å; F462-S464 PolarHBondContact O-N 2.68Å; S464-P469 WeakPolarHBondContact O-CD 3.47Å
465	E	98.7	Very high	98.3	Very high	110 Å²	110	60.9 Å²	60.9	51%	0.514	30%	0.301	S	S	.	.	I	π-helix	trans	-88.1	-33.2	-171.8	-70.6	-179.9	-161.3	0	0	112.5	R461	R461-E465 HydrophobicContact CG-CG 4.24Å; R461-E465 VanDerWaalsContact CG-OE1 3.23Å; R461-E465 WeakPolarHBondContact CG-OE1 3.33Å; R461-E465 IonicContact CZ-OE1 2.63Å; R461-E465 IonicContact CZ-OE2 3.2Å; R461-E465 VanDerWaalsContact NE-CD 3.27Å; R461-E465 IonicContact NE-OE1 2.97Å; R461-E465 PolarHBondContact NE-OE1 3.35Å; R461-E465 IonicContact NE-OE2 3.51Å; R461-E465 PolarHBondContact NE-OE2 3.26Å; R461-E465 IonicContact NH2-OE1 2.92Å; R461-E465 IonicContact NH2-OE2 3.75Å; R461-E465 PolarHBondContact NH2-OE2 3.2Å; R461-E465 WeakPolarHBondContact O-CB 3.37Å; R461-E465 PolarHBondContact O-N 3.12Å
466	E	98.6	Very high	98.1	Very high	85 Å²	85	66 Å²	66	40%	0.397	34%	0.337	S	S	.	.	I	π-helix	trans	-114.5	-43.8	-173.6	-65.9	-168.7	-141.9	0	0	113.6	Q179 F462 L470	Q179-E466 PolarHBondContact NE2-OE2 2.94Å; F462-E466 HydrophobicContact CD2-CB 3.9Å; F462-E466 HydrophobicContact CD2-CG 4.11Å; F462-E466 HydrophobicContact CE2-CB 3.77Å; F462-E466 HydrophobicContact CE2-CG 4.21Å; F462-E466 WeakPolarHBondContact CE2-OE2 3.46Å; F462-E466 PolarHBondContact O-N 3Å; E466-L470 WeakPolarHBondContact O-CB 3.43Å
467	I	98.6	Very high	97.8	Very high	0 Å²	0	70.4 Å²	70.4	0%	0	36%	0.355	C	S	.	.	I	π-helix	trans	-83.4	-52.2	-170.4	-59.4	-57.6	0	0	0	112.8	I141 A145 L178 A182 F462 L463 L470 L471	I141-I467 HydrophobicContact CG2-CD1 4.41Å; I141-I467 HydrophobicContact CG2-CG2 3.63Å; A145-I467 HydrophobicContact CB-CG2 3.96Å; L178-I467 HydrophobicContact CB-CD1 4.28Å; A182-I467 HydrophobicContact CB-CD1 3.89Å; F462-I467 HydrophobicContact CD1-CG1 4.05Å; F462-I467 HydrophobicContact CE1-CD1 3.78Å; F462-I467 HydrophobicContact CE1-CG1 3.55Å; F462-I467 HydrophobicContact CE2-CD1 4.23Å; F462-I467 HydrophobicContact CE2-CG1 4.32Å; F462-I467 HydrophobicContact CZ-CD1 3.5Å; F462-I467 VanDerWaalsContact CZ-CD1 3.5Å; F462-I467 HydrophobicContact CZ-CG1 3.71Å; F462-I467 PolarHBondContact O-N 3.02Å; L463-I467 HydrophobicContact CD2-CB 4.17Å; L463-I467 HydrophobicContact CD2-CG1 4.02Å; L463-I467 HydrophobicContact CD2-CG2 4.4Å; L463-I467 PolarHBondContact O-N 3.06Å; I467-L470 WeakPolarHBondContact O-CB 3.21Å; I467-L470 PolarHBondContact O-N 3.1Å; I467-L470 VanDerWaalsContact O-N 3.16Å; I467-L471 HydrophobicContact CG2-CD1 3.96Å; I467-L471 HydrophobicContact CG2-CG 4.47Å; I467-L471 WeakPolarHBondContact O-CG 3.41Å; I467-L471 PolarHBondContact O-N 3.31Å
468	R	98.1	Very high	97.5	Very high	90 Å²	90	66.3 Å²	66.3	34%	0.34	34%	0.336	S	S	.	.	H	α-helix	trans	-60	-42.5	-177.4	-63.4	-61.7	179.9	-149.4	-1	112.7	D142 L463 L470 L471 E472	D142-R468 IonicContact OD1-NH1 3.4Å; D142-R468 PolarHBondContact OD1-NH1 2.99Å; L463-R468 VanDerWaalsContact O-CG 3.31Å; L463-R468 WeakPolarHBondContact O-CG 3.35Å; L463-R468 PolarHBondContact O-N 3.28Å; R468-L470 VanDerWaalsContact C-N 3.31Å; R468-L470 PolarHBondContact O-N 2.95Å; R468-L471 PolarHBondContact O-N 3.34Å; R468-E472 PolarHBondContact O-N 3.42Å
469	P	98.3	Very high	97.1	Very high	76 Å²	76	69.4 Å²	69.4	49%	0.494	36%	0.355	S	S	.	.	H	α-helix	trans	-61.5	-36.5	175.4	-25.1	36.6	0	0	0	113.7	S464 L471 E472	S464-P469 WeakPolarHBondContact O-CD 3.47Å; P469-L471 PolarHBondContact O-N 2.73Å; P469-E472 PolarHBondContact O-N 3.03Å
470	L	97.8	Very high	96.6	Very high	25 Å²	25	72.9 Å²	72.9	13%	0.131	38%	0.377	C	S	.	.	H	α-helix	trans	-63.8	-29.5	178.2	-175.5	67.4	0	0	0	112.7	I141 A182 M185 E466 I467 R468	I141-L470 HydrophobicContact CD1-CD2 4.26Å; A182-L470 HydrophobicContact CB-CD2 3.74Å; M185-L470 HydrophobicContact CB-CD1 4.32Å; M185-L470 HydrophobicContact CB-CD2 3.96Å; M185-L470 HydrophobicContact CB-CG 4.43Å; M185-L470 HydrophobicContact CG-CD1 3.63Å; M185-L470 HydrophobicContact CG-CD2 3.93Å; M185-L470 HydrophobicContact CG-CG 3.85Å; E466-L470 WeakPolarHBondContact O-CB 3.43Å; I467-L470 WeakPolarHBondContact O-CB 3.21Å; I467-L470 PolarHBondContact O-N 3.1Å; I467-L470 VanDerWaalsContact O-N 3.16Å; R468-L470 VanDerWaalsContact C-N 3.31Å; R468-L470 PolarHBondContact O-N 2.95Å
471	L	98	Very high	95.9	Very high	9 Å²	9	79.8 Å²	79.8	5%	0.047	40%	0.395	C	S	.	.	H	α-helix	trans	-87	-17.6	-176.7	-65.5	175.3	0	0	0	113.9	A138 I141 D142 I467 R468 P469 P473 F474 K475 M478	A138-L471 HydrophobicContact CB-CD2 4.04Å; A138-L471 VanDerWaalsContact O-CD2 3.24Å; A138-L471 WeakPolarHBondContact O-CD2 3.36Å; I141-L471 HydrophobicContact CB-CD2 4.06Å; I141-L471 HydrophobicContact CG2-CD1 4.25Å; I141-L471 HydrophobicContact CG2-CD2 3.85Å; I141-L471 HydrophobicContact CG2-CG 4.27Å; D142-L471 HydrophobicContact CB-CD1 3.9Å; D142-L471 HydrophobicContact CB-CD2 4.47Å; I467-L471 HydrophobicContact CG2-CD1 3.96Å; I467-L471 HydrophobicContact CG2-CG 4.47Å; I467-L471 WeakPolarHBondContact O-CG 3.41Å; I467-L471 PolarHBondContact O-N 3.31Å; R468-L471 PolarHBondContact O-N 3.34Å; P469-L471 PolarHBondContact O-N 2.73Å; L471-P473 VanDerWaalsContact C-CD 3.45Å; L471-F474 WeakPolarHBondContact O-CA 3.44Å; L471-F474 PolarHBondContact O-N 2.78Å; L471-K475 PolarHBondContact O-N 3.09Å; L471-M478 HydrophobicContact CB-CE 3.97Å; L471-M478 HydrophobicContact CD2-CE 3.9Å; L471-M478 HydrophobicContact CG-CE 4.42Å
472	E	97.3	Very high	95.1	Very high	113 Å²	113	74 Å²	74	53%	0.528	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-55	-42	-174.3	-167.7	61	-156	0	0	113.7	R468 P469 F474 K475	R468-E472 PolarHBondContact O-N 3.42Å; P469-E472 PolarHBondContact O-N 3.03Å; E472-F474 PolarHBondContact O-N 3.03Å; E472-K475 WeakPolarHBondContact O-CB 3.35Å; E472-K475 PolarHBondContact O-N 2.76Å; E472-K475 IonicContact OE1-NZ 2.88Å
473	P	97.6	Very high	94	Very high	95 Å²	95	80.7 Å²	80.7	62%	0.617	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-62	-17	176.7	-23	35.2	0	0	0	114.6	L471	L471-P473 VanDerWaalsContact C-CD 3.45Å
474	F	97.7	Very high	93.1	Very high	17 Å²	17	82 Å²	82	8%	0.075	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-109	3.6	-174.9	-58.9	-79.3	0	0	0	113.4	L134 P135 A138 M185 L471 E472 S476 K477 M478	L134-F474 HydrophobicContact CB-CE1 3.81Å; L134-F474 HydrophobicContact CB-CZ 3.92Å; P135-F474 HydrophobicContact CB-CD1 4.37Å; P135-F474 HydrophobicContact CG-CD1 4.24Å; P135-F474 HydrophobicContact CG-CE1 4.31Å; A138-F474 HydrophobicContact CB-CB 3.72Å; A138-F474 HydrophobicContact CB-CD1 4.14Å; A138-F474 HydrophobicContact CB-CD2 3.71Å; A138-F474 HydrophobicContact CB-CE2 4.34Å; A138-F474 HydrophobicContact CB-CG 3.59Å; M185-F474 HydrophobicContact CE-CD2 4.46Å; M185-F474 HydrophobicContact CE-CE2 3.96Å; M185-F474 HydrophobicContact CE-CZ 4.35Å; M185-F474 HydrophobicContact SD-CE2 3.91Å; M185-F474 HydrophobicContact SD-CZ 4.06Å; L471-F474 WeakPolarHBondContact O-CA 3.44Å; L471-F474 PolarHBondContact O-N 2.78Å; E472-F474 PolarHBondContact O-N 3.03Å; F474-S476 PolarHBondContact O-N 3.12Å; F474-S476 VanDerWaalsContact O-N 3.1Å; F474-K477 WeakPolarHBondContact O-CA 3.3Å; F474-K477 PolarHBondContact O-N 3.3Å; F474-M478 HydrophobicContact CB-CE 3.58Å
475	K	94.7	Very high	91.5	Very high	136 Å²	136	86.3 Å²	86.3	59%	0.591	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-52.6	-37.1	-173.7	-170.9	174.1	-174.8	171.1	0	114	L471 E472 K477	L471-K475 PolarHBondContact O-N 3.09Å; E472-K475 WeakPolarHBondContact O-CB 3.35Å; E472-K475 PolarHBondContact O-N 2.76Å; E472-K475 IonicContact OE1-NZ 2.88Å; K475-K477 PolarHBondContact O-N 2.99Å
476	S	94.8	Very high	89.5	Confident	112 Å²	112	86.3 Å²	86.3	78%	0.783	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-73.4	-5.1	177.3	58.7	0	0	0	0	114.8	F474	F474-S476 PolarHBondContact O-N 3.12Å; F474-S476 VanDerWaalsContact O-N 3.1Å
477	K	93	Very high	89	Confident	103 Å²	103	86.4 Å²	86.4	45%	0.448	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-117.4	15.4	-175.8	-59.5	-172.5	177.8	-176.8	0	113.2	P135 R139 F474 K475	P135-K477 HydrophobicContact CB-CB 4.3Å; P135-K477 HydrophobicContact CB-CD 3.85Å; P135-K477 HydrophobicContact CG-CD 3.7Å; R139-K477 WeakPolarHBondContact CD-O 3.43Å; R139-K477 PolarHBondContact NH1-O 3.47Å; F474-K477 WeakPolarHBondContact O-CA 3.3Å; F474-K477 PolarHBondContact O-N 3.3Å; K475-K477 PolarHBondContact O-N 2.99Å
478	M	92.3	Very high	88.5	Confident	19 Å²	19	90.9 Å²	90.9	9%	0.094	45%	0.453	C	S	.	.			trans	-86.4	-24.5	-173	-64.4	-53.5	-175.3	0	0	114.9	A138 R139 D142 R143 L471 F474 V480	A138-M478 HydrophobicContact CB-CE 4.07Å; R139-M478 HydrophobicContact CG-SD 3.91Å; D142-M478 HydrophobicContact CB-SD 4.24Å; R143-M478 PolarHBondContact NH2-O 3.23Å; L471-M478 HydrophobicContact CB-CE 3.97Å; L471-M478 HydrophobicContact CD2-CE 3.9Å; L471-M478 HydrophobicContact CG-CE 4.42Å; F474-M478 HydrophobicContact CB-CE 3.58Å; M478-V480 PolarHBondContact O-N 3.47Å
479	D	89.8	Confident	88	Confident	154 Å²	154	90.9 Å²	90.9	82%	0.824	46%	0.46	S	S	*	.			trans	-78.3	-3.5	-172.2	-63.2	-34.4	0	0	0	114.7	R481	D479-R481 PolarHBondContact O-N 3.11Å
480	V	89.7	Confident	87.4	Confident	74 Å²	74	91.8 Å²	91.8	45%	0.448	46%	0.458	S	S	.	.			trans	-72.6	116.2	179.9	-177.2	0	0	0	0	110.2	R139 Q358 M478	R139-V480 VanDerWaalsContact CD-O 3.32Å; R139-V480 WeakPolarHBondContact CD-O 3.45Å; Q358-V480 PolarHBondContact NE2-O 3.21Å; M478-V480 PolarHBondContact O-N 3.47Å
481	R	84.4	Confident	86.7	Confident	208 Å²	208	96 Å²	96	79%	0.785	48%	0.478	S	S	*	.			trans	-88	151.2	169.4	-67.3	-171.9	177	-168.9	-2.1	110.9	D479	D479-R481 PolarHBondContact O-N 3.11Å
482	I	81.1	Confident	86	Confident	28 Å²	28	101.8 Å²	101.8	14%	0.144	51%	0.507	C	S	.	.			trans	-106.8	114	175.3	-63.3	-67.2	0	0	0	109.4	S355 Q358 N359 L484	S355-I482 WeakPolarHBondContact O-CG2 3.49Å; Q358-I482 HydrophobicContact CB-CG1 4.26Å; Q358-I482 HydrophobicContact CG-CG1 4.22Å; N359-I482 HydrophobicContact CB-CG2 4.41Å; N359-I482 PolarHBondContact ND2-O 2.82Å; N359-I482 VanDerWaalsContact ND2-O 3.16Å; I482-L484 HydrophobicContact CG2-CD2 3.93Å
483	E	76	Confident	85.2	Confident	165 Å²	165	101 Å²	101	77%	0.771	51%	0.505	S	S	*	.			trans	-89.2	128.4	163.5	-66.1	-175.4	177.8	0	0	108.5	E485	E483-E485 PolarHBondContact O-N 3.45Å
484	L	79.8	Confident	84.2	Confident	34 Å²	34	101.5 Å²	101.5	18%	0.178	50%	0.497	C	S	.	.			trans	-89.5	87.7	176.3	-66	179.3	0	0	0	108.5	R302 T356 N359 I482 L486	R302-L484 HydrophobicContact CG-CD1 4.43Å; T356-L484 HydrophobicContact CG2-CD1 4.29Å; N359-L484 HydrophobicContact CB-CD1 3.86Å; N359-L484 HydrophobicContact CB-CD2 4.4Å; N359-L484 HydrophobicContact CB-CG 3.95Å; N359-L484 WeakPolarHBondContact OD1-CD1 3.42Å; I482-L484 HydrophobicContact CG2-CD2 3.93Å; L484-L486 PolarHBondContact O-N 3.1Å
485	E	65	Low	83.1	Confident	160 Å²	160	108.5 Å²	108.5	75%	0.748	53%	0.532	S	S	*	.			trans	-71.1	113.4	166.4	-63.4	-179.1	178.2	0	0	107.8	E483	E483-E485 PolarHBondContact O-N 3.45Å
486	L	56.2	Low	82	Confident	109 Å²	109	106 Å²	106	57%	0.571	53%	0.527	S	S	*	.			trans	-114.3	0	-170.5	-109.9	-173.2	0	0	0	113.4	R22 Y23 L484	R22-L486 PolarHBondContact NH1-OXT 3.24Å; Y23-L486 HydrophobicContact CE1-CD2 4.14Å; L484-L486 PolarHBondContact O-N 3.1Å

Retrieved 486 of 486 residues in 897.2 ms (Link to these results)

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