M3ZNT8_XIPMA Loading...

Protein phosphatase 2, regulatory subunit A, beta a

AlphaFold DB , UniProt , Accession M3ZNT8, Species XIPMA (Xiphophorus maculatus, Southern platyfish), Gene n/a, Length 589 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.3	Very low	46.1	Very low	252 Å²	252	123 Å²	123	100%	1.241	75%	0.751	S	S	*	*				0	119.3	0	-75.2	176.8	-171	0	0	106
2	A	34.4	Very low	47.6	Very low	104 Å²	104	116.2 Å²	116.2	86%	0.86	71%	0.71	S	S	*	*			trans	-92.7	143.3	-172.3	0	0	0	0	0	110.6
3	G	42	Very low	48.8	Very low	83 Å²	83	108.8 Å²	108.8	86%	0.856	66%	0.664	S	S	*	*			trans	67.2	91	149.9	0	0	0	0	0	117.5
4	A	37.6	Very low	50.3	Low	97 Å²	97	104.1 Å²	104.1	80%	0.802	64%	0.642	S	S	*	*			trans	-145.1	3.4	159.5	0	0	0	0	0	115
5	D	44.5	Very low	51.8	Low	142 Å²	142	100.1 Å²	100.1	76%	0.759	62%	0.617	S	S	*	*			trans	-99.3	13.9	-175	-70.4	-31.2	0	0	0	114.8	S9	D5-S9 WeakPolarHBondContact O-CB 3.4Å; D5-S9 PolarHBondContact O-OG 3.07Å
6	G	41.4	Very low	52.9	Low	63 Å²	63	94.1 Å²	94.1	65%	0.649	58%	0.579	S	S	*	*	S	Bend	trans	-79.1	-27.7	-166.5	0	0	0	0	0	116.9
7	D	45.9	Very low	54	Low	151 Å²	151	90.8 Å²	90.8	81%	0.807	56%	0.557	S	S	*	*	S	Bend	trans	-120.4	-32.8	-167.8	-114.9	-4.9	0	0	0	114.3	S9	D7-S9 VanDerWaalsContact C-N 3.32Å; D7-S9 PolarHBondContact O-N 3.28Å
8	D	48.8	Very low	55.2	Low	150 Å²	150	92.1 Å²	92.1	80%	0.802	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	-11.3	177.6	-84.8	-26.6	0	0	0	113.5
9	S	53.6	Low	56.5	Low	42 Å²	42	91.2 Å²	91.2	29%	0.294	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-16.6	-173.1	61	0	0	0	0	114.1	D5 D7 R46	D5-S9 WeakPolarHBondContact O-CB 3.4Å; D5-S9 PolarHBondContact O-OG 3.07Å; D7-S9 VanDerWaalsContact C-N 3.32Å; D7-S9 PolarHBondContact O-N 3.28Å; S9-R46 PolarHBondContact O-NH1 2.99Å; S9-R46 PolarHBondContact O-NH2 2.83Å
10	L	55.5	Low	57.4	Low	101 Å²	101	87.2 Å²	87.2	53%	0.529	52%	0.524	S	S	.	.	S	Bend	trans	-97.7	-17.4	-179.5	-76	162.7	0	0	0	113.7	I13 A14	L10-I13 PolarHBondContact O-N 3.44Å; L10-A14 WeakPolarHBondContact O-CB 2.94Å; L10-A14 PolarHBondContact O-N 2.96Å
11	Y	66.4	Low	58.3	Low	168 Å²	168	91.6 Å²	91.6	66%	0.659	53%	0.532	S	S	*	.	H	α-helix	trans	-60.9	-43.5	-173.5	-170.4	-103.9	0	0	0	113.7	I13 A14 V15	Y11-I13 PolarHBondContact O-N 3.31Å; Y11-A14 PolarHBondContact O-N 3.21Å; Y11-V15 HydrophobicContact CD1-CG2 4.19Å; Y11-V15 HydrophobicContact CD2-CG2 4.39Å; Y11-V15 HydrophobicContact CE1-CG2 3.88Å; Y11-V15 HydrophobicContact CE2-CG2 4.09Å; Y11-V15 HydrophobicContact CG-CG2 4.44Å; Y11-V15 WeakPolarHBondContact O-CB 3.46Å; Y11-V15 VanDerWaalsContact O-CG2 3.27Å; Y11-V15 WeakPolarHBondContact O-CG2 3.36Å; Y11-V15 PolarHBondContact O-N 2.91Å
12	P	63.2	Low	60.4	Low	41 Å²	41	82.6 Å²	82.6	27%	0.266	49%	0.488	S	S	.	.	H	α-helix	trans	-66.8	-35	179.5	-21.7	34.5	0	0	0	114	L16 A41	P12-L16 WeakPolarHBondContact O-CB 3.29Å; P12-L16 PolarHBondContact O-N 3.42Å; P12-L16 VanDerWaalsContact O-N 3.11Å; P12-A41 HydrophobicContact CB-CB 4.4Å; P12-A41 HydrophobicContact CG-CB 4.37Å
13	I	63.5	Low	62.7	Low	21 Å²	21	86.6 Å²	86.6	11%	0.108	49%	0.489	C	S	.	.	H	α-helix	trans	-72.9	-43.3	174.2	-82.3	164.5	0	0	0	110.6	L10 Y11 V15 L16 I17 L42 E50	L10-I13 PolarHBondContact O-N 3.44Å; Y11-I13 PolarHBondContact O-N 3.31Å; I13-V15 VanDerWaalsContact C-N 3.32Å; I13-V15 PolarHBondContact O-N 3.34Å; I13-L16 PolarHBondContact O-N 3.15Å; I13-I17 HydrophobicContact CG2-CD1 3.41Å; I13-I17 VanDerWaalsContact CG2-CD1 3.41Å; I13-I17 HydrophobicContact CG2-CG1 4Å; I13-I17 WeakPolarHBondContact O-CB 3.2Å; I13-I17 WeakPolarHBondContact O-CG1 3.48Å; I13-I17 PolarHBondContact O-N 2.77Å; I13-L42 HydrophobicContact CD1-CD1 3.58Å; I13-L42 HydrophobicContact CD1-CD2 3.24Å; I13-L42 HydrophobicContact CD1-CG 3.99Å; I13-L42 HydrophobicContact CG1-CD1 3.51Å; I13-L42 HydrophobicContact CG1-CD2 3.54Å; I13-L42 HydrophobicContact CG1-CG 4.03Å; I13-E50 HydrophobicContact CD1-CB 4.24Å; I13-E50 VanDerWaalsContact CD1-OE2 3.23Å; I13-E50 WeakPolarHBondContact CD1-OE2 3.47Å
14	A	70.1	Confident	64.8	Low	43 Å²	43	86.4 Å²	86.4	36%	0.355	47%	0.469	S	S	.	.	H	α-helix	trans	-60.6	-44.1	179.5	0	0	0	0	0	111.3	L10 Y11 I17 D18	L10-A14 WeakPolarHBondContact O-CB 2.94Å; L10-A14 PolarHBondContact O-N 2.96Å; Y11-A14 PolarHBondContact O-N 3.21Å; A14-I17 PolarHBondContact O-N 3.25Å; A14-D18 WeakPolarHBondContact O-CB 3.49Å; A14-D18 PolarHBondContact O-N 3.45Å
15	V	72.8	Confident	67.1	Low	44 Å²	44	84 Å²	84	27%	0.267	44%	0.444	S	S	.	.	H	α-helix	trans	-62.9	-44.2	174.6	173.6	0	0	0	0	111.1	Y11 I13 I17 D18 E19	Y11-V15 HydrophobicContact CD1-CG2 4.19Å; Y11-V15 HydrophobicContact CD2-CG2 4.39Å; Y11-V15 HydrophobicContact CE1-CG2 3.88Å; Y11-V15 HydrophobicContact CE2-CG2 4.09Å; Y11-V15 HydrophobicContact CG-CG2 4.44Å; Y11-V15 WeakPolarHBondContact O-CB 3.46Å; Y11-V15 VanDerWaalsContact O-CG2 3.27Å; Y11-V15 WeakPolarHBondContact O-CG2 3.36Å; Y11-V15 PolarHBondContact O-N 2.91Å; I13-V15 VanDerWaalsContact C-N 3.32Å; I13-V15 PolarHBondContact O-N 3.34Å; V15-I17 PolarHBondContact O-N 3.1Å; V15-D18 PolarHBondContact O-N 3.31Å; V15-E19 HydrophobicContact CG1-CG 4.2Å; V15-E19 WeakPolarHBondContact O-CB 3.44Å; V15-E19 VanDerWaalsContact O-CG 3.27Å; V15-E19 WeakPolarHBondContact O-CG 3.43Å; V15-E19 PolarHBondContact O-N 3.11Å
16	L	69.8	Low	69.2	Low	3 Å²	3	81.7 Å²	81.7	2%	0.016	43%	0.429	C	S	.	.	H	α-helix	trans	-63.3	-42.1	176.7	-178.7	58.8	0	0	0	112.5	P12 I13 D18 E19 L20 L35 I38 L51	P12-L16 WeakPolarHBondContact O-CB 3.29Å; P12-L16 PolarHBondContact O-N 3.42Å; P12-L16 VanDerWaalsContact O-N 3.11Å; I13-L16 PolarHBondContact O-N 3.15Å; L16-D18 VanDerWaalsContact C-N 3.33Å; L16-E19 PolarHBondContact O-N 3.35Å; L16-L20 HydrophobicContact CD1-CD1 3.56Å; L16-L20 HydrophobicContact CD1-CD2 4.43Å; L16-L20 HydrophobicContact CD1-CG 3.69Å; L16-L20 HydrophobicContact CD2-CD1 4.14Å; L16-L20 HydrophobicContact CG-CD1 3.67Å; L16-L20 HydrophobicContact CG-CG 4.17Å; L16-L20 VanDerWaalsContact O-CB 3.25Å; L16-L20 WeakPolarHBondContact O-CB 3.49Å; L16-L20 VanDerWaalsContact O-CG 3.29Å; L16-L20 WeakPolarHBondContact O-CG 3.23Å; L16-L20 PolarHBondContact O-N 3.1Å; L16-L35 HydrophobicContact CD2-CD1 3.83Å; L16-I38 HydrophobicContact CB-CD1 3.93Å; L16-I38 HydrophobicContact CB-CG2 4.5Å; L16-I38 HydrophobicContact CD1-CD1 3.39Å; L16-I38 HydrophobicContact CD2-CB 4.43Å; L16-I38 HydrophobicContact CD2-CD1 3.67Å; L16-I38 HydrophobicContact CD2-CG2 3.85Å; L16-I38 HydrophobicContact CG-CD1 3.8Å; L16-L51 HydrophobicContact CD2-CD1 3.56Å
17	I	71.4	Confident	71.3	Confident	38 Å²	38	82.3 Å²	82.3	20%	0.195	42%	0.417	C	S	.	.	H	α-helix	trans	-63.7	-42.6	177.8	-70.6	174.2	0	0	0	109.8	I13 A14 V15 R21 F54	I13-I17 HydrophobicContact CG2-CD1 3.41Å; I13-I17 VanDerWaalsContact CG2-CD1 3.41Å; I13-I17 HydrophobicContact CG2-CG1 4Å; I13-I17 WeakPolarHBondContact O-CB 3.2Å; I13-I17 WeakPolarHBondContact O-CG1 3.48Å; I13-I17 PolarHBondContact O-N 2.77Å; A14-I17 PolarHBondContact O-N 3.25Å; V15-I17 PolarHBondContact O-N 3.1Å; I17-R21 VanDerWaalsContact O-CB 3.27Å; I17-R21 WeakPolarHBondContact O-CB 3.35Å; I17-R21 WeakPolarHBondContact O-CG 3.45Å; I17-R21 PolarHBondContact O-N 3.49Å; I17-F54 HydrophobicContact CB-CZ 4.35Å; I17-F54 HydrophobicContact CD1-CD2 4.39Å; I17-F54 HydrophobicContact CD1-CE2 4.22Å; I17-F54 HydrophobicContact CG1-CD2 4.27Å; I17-F54 HydrophobicContact CG1-CE1 4.22Å; I17-F54 HydrophobicContact CG1-CE2 3.77Å; I17-F54 HydrophobicContact CG1-CZ 3.76Å; I17-F54 HydrophobicContact CG2-CE2 4.31Å; I17-F54 HydrophobicContact CG2-CZ 4.37Å
18	D	75.8	Confident	73.2	Confident	115 Å²	115	76.4 Å²	76.4	62%	0.615	38%	0.383	S	S	*	.	H	α-helix	trans	-67.3	-39.7	177.3	-76.1	-12	0	0	0	111.6	A14 V15 L16 R21 N22	A14-D18 WeakPolarHBondContact O-CB 3.49Å; A14-D18 PolarHBondContact O-N 3.45Å; V15-D18 PolarHBondContact O-N 3.31Å; L16-D18 VanDerWaalsContact C-N 3.33Å; D18-R21 PolarHBondContact O-N 3.4Å; D18-N22 PolarHBondContact O-N 2.73Å
19	E	80.2	Confident	75.1	Confident	74 Å²	74	69.9 Å²	69.9	35%	0.346	35%	0.348	S	S	.	.	H	α-helix	trans	-72	-36.6	177.4	-70.4	-178.6	157.9	0	0	112.5	V15 L16 R21 N22 R28 S31	V15-E19 HydrophobicContact CG1-CG 4.2Å; V15-E19 WeakPolarHBondContact O-CB 3.44Å; V15-E19 VanDerWaalsContact O-CG 3.27Å; V15-E19 WeakPolarHBondContact O-CG 3.43Å; V15-E19 PolarHBondContact O-N 3.11Å; L16-E19 PolarHBondContact O-N 3.35Å; E19-R21 VanDerWaalsContact C-N 3.33Å; E19-N22 WeakPolarHBondContact O-CB 3.4Å; E19-N22 PolarHBondContact O-N 3.06Å; E19-R28 WeakPolarHBondContact O-CG 3.5Å; E19-S31 VanDerWaalsContact CB-OG 3.23Å; E19-S31 WeakPolarHBondContact CB-OG 3.47Å; E19-S31 PolarHBondContact OE2-OG 3.17Å
20	L	73.9	Confident	76.7	Confident	12 Å²	12	70.7 Å²	70.7	6%	0.063	35%	0.349	C	S	.	.	H	α-helix	trans	-77.5	-16.8	175.5	-71.7	175.7	0	0	0	113.4	L16 R28 I32 F54 L55	L16-L20 HydrophobicContact CD1-CD1 3.56Å; L16-L20 HydrophobicContact CD1-CD2 4.43Å; L16-L20 HydrophobicContact CD1-CG 3.69Å; L16-L20 HydrophobicContact CD2-CD1 4.14Å; L16-L20 HydrophobicContact CG-CD1 3.67Å; L16-L20 HydrophobicContact CG-CG 4.17Å; L16-L20 VanDerWaalsContact O-CB 3.25Å; L16-L20 WeakPolarHBondContact O-CB 3.49Å; L16-L20 VanDerWaalsContact O-CG 3.29Å; L16-L20 WeakPolarHBondContact O-CG 3.23Å; L16-L20 PolarHBondContact O-N 3.1Å; L20-R28 HydrophobicContact CD2-CB 4.48Å; L20-R28 WeakPolarHBondContact O-CD 3.29Å; L20-I32 HydrophobicContact CD1-CD1 4.24Å; L20-I32 HydrophobicContact CD2-CD1 3.53Å; L20-I32 HydrophobicContact CD2-CG1 3.75Å; L20-F54 HydrophobicContact CD1-CE1 3.76Å; L20-L55 HydrophobicContact CD1-CD2 4.38Å
21	R	76	Confident	78.3	Confident	180 Å²	180	66 Å²	66	68%	0.679	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	2	170.1	-70.2	176.5	176.1	-177.6	0.3	112.8	I17 D18 E19	I17-R21 VanDerWaalsContact O-CB 3.27Å; I17-R21 WeakPolarHBondContact O-CB 3.35Å; I17-R21 WeakPolarHBondContact O-CG 3.45Å; I17-R21 PolarHBondContact O-N 3.49Å; D18-R21 PolarHBondContact O-N 3.4Å; E19-R21 VanDerWaalsContact C-N 3.33Å
22	N	82.6	Confident	79.3	Confident	62 Å²	62	58.2 Å²	58.2	33%	0.332	30%	0.295	S	S	.	.			trans	-66.1	143.9	178.7	-162.3	-67.5	0	0	0	110.5	D18 E19 D24 R28	D18-N22 PolarHBondContact O-N 2.73Å; E19-N22 WeakPolarHBondContact O-CB 3.4Å; E19-N22 PolarHBondContact O-N 3.06Å; N22-D24 VanDerWaalsContact C-N 3.28Å; N22-D24 PolarHBondContact O-N 3.44Å; N22-D24 WeakPolarHBondContact OD1-CB 3.4Å; N22-D24 PolarHBondContact OD1-N 3.28Å; N22-R28 VanDerWaalsContact O-CD 3.31Å; N22-R28 WeakPolarHBondContact O-CD 3.34Å; N22-R28 WeakPolarHBondContact O-CG 3.46Å; N22-R28 PolarHBondContact O-NH1 3.37Å
23	E	80.9	Confident	80.6	Confident	188 Å²	188	61.9 Å²	61.9	88%	0.879	31%	0.307	S	S	*	.	S	Bend	trans	-67.5	-27.6	178.1	-64	-178.4	175.3	0	0	112.5	V25 R28	E23-V25 PolarHBondContact O-N 2.95Å; E23-R28 VanDerWaalsContact C-NH1 3.27Å; E23-R28 PolarHBondContact O-NH1 3.01Å
24	D	87.1	Confident	81.8	Confident	80 Å²	80	66.9 Å²	66.9	43%	0.428	33%	0.328	S	S	.	.			trans	-77.2	113.1	179.3	-173	-12.1	0	0	0	111.9	N22 Q26 L27 R28	N22-D24 VanDerWaalsContact C-N 3.28Å; N22-D24 PolarHBondContact O-N 3.44Å; N22-D24 WeakPolarHBondContact OD1-CB 3.4Å; N22-D24 PolarHBondContact OD1-N 3.28Å; D24-Q26 PolarHBondContact O-N 3.24Å; D24-Q26 WeakPolarHBondContact OD1-CB 3.35Å; D24-Q26 PolarHBondContact OD1-N 3.13Å; D24-L27 HydrophobicContact CB-CB 4.21Å; D24-L27 HydrophobicContact CB-CD1 3.98Å; D24-L27 HydrophobicContact CB-CG 4.01Å; D24-L27 PolarHBondContact O-N 2.95Å; D24-L27 VanDerWaalsContact O-N 3.13Å; D24-R28 PolarHBondContact O-N 3.27Å; D24-R28 VanDerWaalsContact O-N 3.13Å
25	V	85.9	Confident	82.8	Confident	46 Å²	46	64.9 Å²	64.9	28%	0.279	31%	0.311	S	S	.	.	H	α-helix	trans	-55.6	-37.9	177.4	-174.6	0	0	0	0	111.7	E23 L27 R28 L29 E62 V65	E23-V25 PolarHBondContact O-N 2.95Å; V25-L27 VanDerWaalsContact C-N 3.31Å; V25-L27 PolarHBondContact O-N 3.03Å; V25-R28 PolarHBondContact O-N 3.03Å; V25-L29 WeakPolarHBondContact O-CB 2.63Å; V25-L29 PolarHBondContact O-N 3.02Å; V25-E62 HydrophobicContact CG1-CB 4.15Å; V25-E62 HydrophobicContact CG1-CG 4.22Å; V25-E62 HydrophobicContact CG2-CG 3.95Å; V25-V65 HydrophobicContact CG1-CG2 3.99Å
26	Q	87.5	Confident	83.7	Confident	94 Å²	94	64.5 Å²	64.5	44%	0.439	31%	0.31	S	S	.	.	H	α-helix	trans	-67.9	-35.1	-177.9	-170	64.7	35	0	0	111.4	D24 N30	D24-Q26 PolarHBondContact O-N 3.24Å; D24-Q26 WeakPolarHBondContact OD1-CB 3.35Å; D24-Q26 PolarHBondContact OD1-N 3.13Å; Q26-N30 WeakPolarHBondContact O-CB 3.44Å; Q26-N30 PolarHBondContact O-N 3.14Å; Q26-N30 PolarHBondContact O-ND2 2.99Å; Q26-N30 VanDerWaalsContact O-ND2 3.09Å
27	L	85.6	Confident	84.6	Confident	76 Å²	76	68.9 Å²	68.9	40%	0.398	34%	0.337	S	S	.	.	H	α-helix	trans	-69.8	-43.9	174.8	-67.4	-179.6	0	0	0	110.9	D24 V25 L29 N30 S31	D24-L27 HydrophobicContact CB-CB 4.21Å; D24-L27 HydrophobicContact CB-CD1 3.98Å; D24-L27 HydrophobicContact CB-CG 4.01Å; D24-L27 PolarHBondContact O-N 2.95Å; D24-L27 VanDerWaalsContact O-N 3.13Å; V25-L27 VanDerWaalsContact C-N 3.31Å; V25-L27 PolarHBondContact O-N 3.03Å; L27-L29 PolarHBondContact O-N 3.48Å; L27-N30 PolarHBondContact O-N 3.28Å; L27-S31 WeakPolarHBondContact O-CB 3.19Å; L27-S31 PolarHBondContact O-N 3.37Å; L27-S31 PolarHBondContact O-OG 2.96Å
28	R	87.5	Confident	85.2	Confident	26 Å²	26	68 Å²	68	10%	0.098	33%	0.332	C	S	.	.	H	α-helix	trans	-58.8	-46.6	173.8	-61.6	-158.8	-62.4	-80.8	6.7	111.6	E19 L20 N22 E23 D24 V25 N30 S31 I32 D61 V65	E19-R28 WeakPolarHBondContact O-CG 3.5Å; L20-R28 HydrophobicContact CD2-CB 4.48Å; L20-R28 WeakPolarHBondContact O-CD 3.29Å; N22-R28 VanDerWaalsContact O-CD 3.31Å; N22-R28 WeakPolarHBondContact O-CD 3.34Å; N22-R28 WeakPolarHBondContact O-CG 3.46Å; N22-R28 PolarHBondContact O-NH1 3.37Å; E23-R28 VanDerWaalsContact C-NH1 3.27Å; E23-R28 PolarHBondContact O-NH1 3.01Å; D24-R28 PolarHBondContact O-N 3.27Å; D24-R28 VanDerWaalsContact O-N 3.13Å; V25-R28 PolarHBondContact O-N 3.03Å; R28-N30 PolarHBondContact O-N 3.47Å; R28-S31 WeakPolarHBondContact O-CB 3.38Å; R28-S31 PolarHBondContact O-N 2.82Å; R28-S31 VanDerWaalsContact O-N 3.12Å; R28-I32 PolarHBondContact O-N 2.61Å; R28-D61 WeakPolarHBondContact CD-OD2 3.22Å; R28-D61 IonicContact CZ-OD1 2.71Å; R28-D61 VanDerWaalsContact CZ-OD1 3.26Å; R28-D61 IonicContact CZ-OD2 3.55Å; R28-D61 VanDerWaalsContact NE-CG 3.34Å; R28-D61 IonicContact NE-OD1 2.79Å; R28-D61 PolarHBondContact NE-OD1 2.92Å; R28-D61 IonicContact NE-OD2 4Å; R28-D61 PolarHBondContact NE-OD2 2.75Å; R28-D61 IonicContact NH2-OD1 3.49Å; R28-D61 PolarHBondContact NH2-OD1 3.16Å; R28-V65 HydrophobicContact CB-CG1 4.49Å; R28-V65 HydrophobicContact CB-CG2 4.22Å
29	L	88.4	Confident	85.9	Confident	13 Å²	13	62.5 Å²	62.5	7%	0.068	30%	0.303	C	S	.	.	H	α-helix	trans	-60.5	-45.3	177.6	-178	65.4	0	0	0	112.6	V25 L27 S31 I32 K33 E64 V65 A68	V25-L29 WeakPolarHBondContact O-CB 2.63Å; V25-L29 PolarHBondContact O-N 3.02Å; L27-L29 PolarHBondContact O-N 3.48Å; L29-S31 PolarHBondContact O-N 3.22Å; L29-I32 PolarHBondContact O-N 3.03Å; L29-K33 WeakPolarHBondContact O-CG 3.44Å; L29-K33 PolarHBondContact O-N 2.66Å; L29-E64 WeakPolarHBondContact CD1-O 3.39Å; L29-V65 HydrophobicContact CB-CG2 4.39Å; L29-A68 HydrophobicContact CD1-CB 3.6Å
30	N	87.4	Confident	86.3	Confident	60 Å²	60	65 Å²	65	32%	0.321	32%	0.318	S	S	.	.	H	α-helix	trans	-62.8	-32.7	176.9	-74.3	-26.3	0	0	0	112	Q26 L27 R28 K33 K34	Q26-N30 WeakPolarHBondContact O-CB 3.44Å; Q26-N30 PolarHBondContact O-N 3.14Å; Q26-N30 PolarHBondContact O-ND2 2.99Å; Q26-N30 VanDerWaalsContact O-ND2 3.09Å; L27-N30 PolarHBondContact O-N 3.28Å; R28-N30 PolarHBondContact O-N 3.47Å; N30-K33 PolarHBondContact O-N 3.32Å; N30-K34 WeakPolarHBondContact O-CG 3.33Å; N30-K34 PolarHBondContact O-N 2.92Å
31	S	87.5	Confident	86.9	Confident	3 Å²	3	67.7 Å²	67.7	2%	0.021	34%	0.342	C	S	.	.	H	α-helix	trans	-70.2	-45.1	177.3	-52.4	0	0	0	0	111.1	E19 L27 R28 L29 K33 K34 L35	E19-S31 VanDerWaalsContact CB-OG 3.23Å; E19-S31 WeakPolarHBondContact CB-OG 3.47Å; E19-S31 PolarHBondContact OE2-OG 3.17Å; L27-S31 WeakPolarHBondContact O-CB 3.19Å; L27-S31 PolarHBondContact O-N 3.37Å; L27-S31 PolarHBondContact O-OG 2.96Å; R28-S31 WeakPolarHBondContact O-CB 3.38Å; R28-S31 PolarHBondContact O-N 2.82Å; R28-S31 VanDerWaalsContact O-N 3.12Å; L29-S31 PolarHBondContact O-N 3.22Å; S31-K33 VanDerWaalsContact C-N 3.33Å; S31-K33 PolarHBondContact O-N 3.45Å; S31-K34 CarbonylContact O-C 3.27Å; S31-K34 WeakPolarHBondContact O-CA 3.36Å; S31-K34 PolarHBondContact O-N 2.91Å; S31-L35 PolarHBondContact O-N 2.77Å
32	I	89.4	Confident	87.4	Confident	4 Å²	4	59.8 Å²	59.8	2%	0.021	31%	0.313	C	S	.	.	H	α-helix	trans	-59.5	-42.1	172.3	-67.3	-56.6	0	0	0	111.5	L20 R28 L29 K34 L35 L55 V65 A68 L69 Q72	L20-I32 HydrophobicContact CD1-CD1 4.24Å; L20-I32 HydrophobicContact CD2-CD1 3.53Å; L20-I32 HydrophobicContact CD2-CG1 3.75Å; R28-I32 PolarHBondContact O-N 2.61Å; L29-I32 PolarHBondContact O-N 3.03Å; I32-K34 PolarHBondContact O-N 3.44Å; I32-K34 VanDerWaalsContact O-N 3.1Å; I32-L35 WeakPolarHBondContact O-CB 3.41Å; I32-L35 PolarHBondContact O-N 3.47Å; I32-L55 HydrophobicContact CD1-CD2 4.4Å; I32-V65 HydrophobicContact CG1-CG1 3.62Å; I32-A68 HydrophobicContact CG2-CB 3.71Å; I32-L69 HydrophobicContact CD1-CB 4.48Å; I32-L69 HydrophobicContact CD1-CD1 4.22Å; I32-L69 HydrophobicContact CG2-CB 4.03Å; I32-Q72 HydrophobicContact CG2-CG 4.31Å; I32-Q72 WeakPolarHBondContact O-CG 3.29Å
33	K	89.4	Confident	87.7	Confident	118 Å²	118	58.2 Å²	58.2	51%	0.513	31%	0.312	S	S	.	.	H	α-helix	trans	-61.4	-22	175.7	-74.1	176.4	179.3	174.1	0	113.5	L29 N30 S31	L29-K33 WeakPolarHBondContact O-CG 3.44Å; L29-K33 PolarHBondContact O-N 2.66Å; N30-K33 PolarHBondContact O-N 3.32Å; S31-K33 VanDerWaalsContact C-N 3.33Å; S31-K33 PolarHBondContact O-N 3.45Å
34	K	89.6	Confident	88.4	Confident	126 Å²	126	52.3 Å²	52.3	55%	0.548	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	5.4	177.9	-68.3	176.1	-176.4	174.6	0	113.5	N30 S31 I32 S36 T37 I38	N30-K34 WeakPolarHBondContact O-CG 3.33Å; N30-K34 PolarHBondContact O-N 2.92Å; S31-K34 CarbonylContact O-C 3.27Å; S31-K34 WeakPolarHBondContact O-CA 3.36Å; S31-K34 PolarHBondContact O-N 2.91Å; I32-K34 PolarHBondContact O-N 3.44Å; I32-K34 VanDerWaalsContact O-N 3.1Å; K34-S36 PolarHBondContact O-N 3Å; K34-S36 VanDerWaalsContact O-N 3.09Å; K34-T37 VanDerWaalsContact O-CB 3.3Å; K34-T37 WeakPolarHBondContact O-CB 3.49Å; K34-T37 PolarHBondContact O-N 3.41Å; K34-I38 PolarHBondContact O-N 2.98Å
35	L	90.3	Very high	88.7	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-54.8	-34.7	-175.7	-161.5	73	0	0	0	112.8	L16 S31 I32 T37 I38 A39 L51 L55 L69 Q72 F76	L16-L35 HydrophobicContact CD2-CD1 3.83Å; S31-L35 PolarHBondContact O-N 2.77Å; I32-L35 WeakPolarHBondContact O-CB 3.41Å; I32-L35 PolarHBondContact O-N 3.47Å; L35-T37 VanDerWaalsContact C-N 3.32Å; L35-T37 PolarHBondContact O-N 3.14Å; L35-I38 PolarHBondContact O-N 3.43Å; L35-I38 VanDerWaalsContact O-N 3.16Å; L35-A39 PolarHBondContact O-N 2.96Å; L35-L51 HydrophobicContact CD1-CD1 4.23Å; L35-L51 HydrophobicContact CD1-CD2 4.32Å; L35-L51 HydrophobicContact CG-CD2 4.5Å; L35-L55 HydrophobicContact CD1-CD1 4.15Å; L35-L55 HydrophobicContact CD1-CD2 4.11Å; L35-L55 HydrophobicContact CD2-CD1 3.7Å; L35-L55 HydrophobicContact CD2-CD2 4.47Å; L35-L55 HydrophobicContact CG-CD1 4.37Å; L35-L69 HydrophobicContact CD2-CD1 3.85Å; L35-Q72 HydrophobicContact CD2-CB 4.35Å; L35-F76 HydrophobicContact CB-CZ 3.75Å; L35-F76 HydrophobicContact CD2-CE1 3.75Å; L35-F76 HydrophobicContact CD2-CE2 4.3Å; L35-F76 HydrophobicContact CD2-CZ 3.43Å; L35-F76 VanDerWaalsContact CD2-CZ 3.43Å; L35-F76 HydrophobicContact CG-CE1 3.91Å; L35-F76 HydrophobicContact CG-CZ 3.48Å; L35-F76 VanDerWaalsContact CG-CZ 3.48Å
36	S	90.9	Very high	88.8	Confident	37 Å²	37	55.2 Å²	55.2	26%	0.259	29%	0.294	S	S	.	.	H	α-helix	trans	-59.7	-39.2	174.5	-64.2	0	0	0	0	113.3	K34 I38 L40 Q72	K34-S36 PolarHBondContact O-N 3Å; K34-S36 VanDerWaalsContact O-N 3.09Å; S36-I38 VanDerWaalsContact C-N 3.28Å; S36-I38 PolarHBondContact O-N 2.67Å; S36-L40 VanDerWaalsContact O-CG 3.29Å; S36-L40 WeakPolarHBondContact O-CG 3.33Å; S36-L40 PolarHBondContact O-N 2.92Å; S36-Q72 PolarHBondContact OG-OE1 3.18Å
37	T	88.5	Confident	89.1	Confident	94 Å²	94	50.7 Å²	50.7	58%	0.577	27%	0.274	S	S	*	.	H	α-helix	trans	-66.8	-35.1	178	-52.3	0	0	0	0	110.9	K34 L35 L40 A41	K34-T37 VanDerWaalsContact O-CB 3.3Å; K34-T37 WeakPolarHBondContact O-CB 3.49Å; K34-T37 PolarHBondContact O-N 3.41Å; L35-T37 VanDerWaalsContact C-N 3.32Å; L35-T37 PolarHBondContact O-N 3.14Å; T37-L40 WeakPolarHBondContact O-CB 3.44Å; T37-L40 PolarHBondContact O-N 2.73Å; T37-A41 PolarHBondContact O-N 3.43Å
38	I	85.9	Confident	89.5	Confident	19 Å²	19	49.5 Å²	49.5	10%	0.097	26%	0.264	C	S	.	.	H	α-helix	trans	-75.3	-43.9	-177.3	-59	166	0	0	0	109.9	L16 K34 L35 S36 L40 A41 L42	L16-I38 HydrophobicContact CB-CD1 3.93Å; L16-I38 HydrophobicContact CB-CG2 4.5Å; L16-I38 HydrophobicContact CD1-CD1 3.39Å; L16-I38 HydrophobicContact CD2-CB 4.43Å; L16-I38 HydrophobicContact CD2-CD1 3.67Å; L16-I38 HydrophobicContact CD2-CG2 3.85Å; L16-I38 HydrophobicContact CG-CD1 3.8Å; K34-I38 PolarHBondContact O-N 2.98Å; L35-I38 PolarHBondContact O-N 3.43Å; L35-I38 VanDerWaalsContact O-N 3.16Å; S36-I38 VanDerWaalsContact C-N 3.28Å; S36-I38 PolarHBondContact O-N 2.67Å; I38-L40 VanDerWaalsContact C-N 3.27Å; I38-L40 PolarHBondContact O-N 3.42Å; I38-A41 PolarHBondContact O-N 3.01Å; I38-A41 VanDerWaalsContact O-N 3.13Å; I38-L42 HydrophobicContact CG2-CD1 3.93Å; I38-L42 HydrophobicContact CG2-CG 4.41Å; I38-L42 VanDerWaalsContact O-CG 3.3Å; I38-L42 WeakPolarHBondContact O-CG 3.27Å; I38-L42 PolarHBondContact O-N 3.08Å
39	A	89	Confident	89.8	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.008	29%	0.285	C	S	.	.	H	α-helix	trans	-58.9	-39.4	172.2	0	0	0	0	0	112	L35 L42 G43 T47 L51 F76 L79	L35-A39 PolarHBondContact O-N 2.96Å; A39-L42 PolarHBondContact O-N 2.95Å; A39-G43 PolarHBondContact O-N 3.13Å; A39-T47 WeakPolarHBondContact CA-OG1 3.44Å; A39-T47 HydrophobicContact CB-CG2 3.93Å; A39-T47 PolarHBondContact O-OG1 3.45Å; A39-L51 HydrophobicContact CB-CD2 4.25Å; A39-F76 HydrophobicContact CB-CE1 4.19Å; A39-L79 HydrophobicContact CB-CB 4.01Å; A39-L79 HydrophobicContact CB-CD1 4.12Å; A39-L79 HydrophobicContact CB-CD2 4.4Å; A39-L79 HydrophobicContact CB-CG 4.41Å
40	L	88.8	Confident	89.8	Confident	126 Å²	126	55.4 Å²	55.4	66%	0.66	30%	0.298	S	S	*	.	H	α-helix	trans	-61.9	-42.6	173.6	-76.5	168.6	0	0	0	112.5	S36 T37 I38 L79	S36-L40 VanDerWaalsContact O-CG 3.29Å; S36-L40 WeakPolarHBondContact O-CG 3.33Å; S36-L40 PolarHBondContact O-N 2.92Å; T37-L40 WeakPolarHBondContact O-CB 3.44Å; T37-L40 PolarHBondContact O-N 2.73Å; I38-L40 VanDerWaalsContact C-N 3.27Å; I38-L40 PolarHBondContact O-N 3.42Å; L40-L79 HydrophobicContact CD2-CD2 3.64Å; L40-L79 HydrophobicContact CG-CD2 3.64Å
41	A	86.3	Confident	89.9	Confident	68 Å²	68	52.7 Å²	52.7	56%	0.562	28%	0.284	S	S	*	.	H	α-helix	trans	-69.1	-33.8	179.1	0	0	0	0	0	112.8	P12 T37 I38	P12-A41 HydrophobicContact CB-CB 4.4Å; P12-A41 HydrophobicContact CG-CB 4.37Å; T37-A41 PolarHBondContact O-N 3.43Å; I38-A41 PolarHBondContact O-N 3.01Å; I38-A41 VanDerWaalsContact O-N 3.13Å
42	L	86	Confident	90.1	Very high	14 Å²	14	52.8 Å²	52.8	7%	0.073	28%	0.284	C	S	.	.	H	α-helix	trans	-79	-26.7	179.1	-69.8	171.1	0	0	0	114.1	I13 I38 A39 R46 L51	I13-L42 HydrophobicContact CD1-CD1 3.58Å; I13-L42 HydrophobicContact CD1-CD2 3.24Å; I13-L42 HydrophobicContact CD1-CG 3.99Å; I13-L42 HydrophobicContact CG1-CD1 3.51Å; I13-L42 HydrophobicContact CG1-CD2 3.54Å; I13-L42 HydrophobicContact CG1-CG 4.03Å; I38-L42 HydrophobicContact CG2-CD1 3.93Å; I38-L42 HydrophobicContact CG2-CG 4.41Å; I38-L42 VanDerWaalsContact O-CG 3.3Å; I38-L42 WeakPolarHBondContact O-CG 3.27Å; I38-L42 PolarHBondContact O-N 3.08Å; A39-L42 PolarHBondContact O-N 2.95Å; L42-R46 HydrophobicContact CB-CB 4.27Å; L42-L51 HydrophobicContact CD1-CB 4.21Å; L42-L51 HydrophobicContact CD1-CD2 4.28Å
43	G	90.9	Very high	90.2	Very high	30 Å²	30	55.2 Å²	55.2	31%	0.309	30%	0.3	S	S	.	.	H	α-helix	trans	77.4	166.7	-169.9	0	0	0	0	0	112.8	A39 E45 T47	A39-G43 PolarHBondContact O-N 3.13Å; G43-E45 PolarHBondContact O-N 2.99Å; G43-T47 VanDerWaalsContact O-CB 3.29Å; G43-T47 WeakPolarHBondContact O-CB 3.34Å; G43-T47 PolarHBondContact O-N 3.1Å; G43-T47 PolarHBondContact O-OG1 2.99Å
44	V	94.5	Very high	90.2	Very high	64 Å²	64	51.3 Å²	51.3	39%	0.388	28%	0.283	S	S	.	.	H	α-helix	trans	-68.2	-31.4	-167.3	-60.4	0	0	0	0	113.9	R48	V44-R48 WeakPolarHBondContact O-CG 3.4Å; V44-R48 PolarHBondContact O-N 3.24Å; V44-R48 PolarHBondContact O-NE 3.25Å
45	E	92.8	Very high	90.2	Very high	135 Å²	135	45.5 Å²	45.5	63%	0.631	26%	0.258	S	S	*	.	H	α-helix	trans	-70.6	-54.8	-179.8	-171.1	175	-179.9	0	0	111.2	G43 T47 R48 T49	G43-E45 PolarHBondContact O-N 2.99Å; E45-T47 VanDerWaalsContact C-N 3.32Å; E45-T47 PolarHBondContact O-N 3.24Å; E45-R48 WeakPolarHBondContact O-CB 3.47Å; E45-R48 PolarHBondContact O-N 3.49Å; E45-T49 PolarHBondContact O-N 2.96Å; E45-T49 PolarHBondContact O-OG1 3.38Å
46	R	89.4	Confident	90.1	Very high	51 Å²	51	47.1 Å²	47.1	19%	0.192	27%	0.268	C	S	.	.	H	α-helix	trans	-68.6	-31.3	-179.8	-62.8	-177.1	64.6	-151.1	-2.7	113	S9 L42 R48 T49 E50 L51	S9-R46 PolarHBondContact O-NH1 2.99Å; S9-R46 PolarHBondContact O-NH2 2.83Å; L42-R46 HydrophobicContact CB-CB 4.27Å; R46-R48 PolarHBondContact O-N 3.42Å; R46-T49 PolarHBondContact O-N 3.48Å; R46-E50 WeakPolarHBondContact CG-OE1 3.29Å; R46-E50 IonicContact CZ-OE1 3.45Å; R46-E50 IonicContact CZ-OE2 3.16Å; R46-E50 IonicContact NE-OE1 2.77Å; R46-E50 PolarHBondContact NE-OE1 3.06Å; R46-E50 IonicContact NE-OE2 2.67Å; R46-E50 PolarHBondContact NE-OE2 3.43Å; R46-E50 IonicContact NH2-OE1 3.37Å; R46-E50 IonicContact NH2-OE2 2.69Å; R46-E50 PolarHBondContact NH2-OE2 3.42Å; R46-E50 WeakPolarHBondContact O-CA 3.3Å; R46-E50 WeakPolarHBondContact O-CB 3.26Å; R46-E50 PolarHBondContact O-N 3.21Å; R46-L51 PolarHBondContact O-N 3.37Å
47	T	92.6	Very high	89.8	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.288	C	S	.	.	I	π-helix	trans	-54.4	-43.5	169	-64.6	0	0	0	0	110.8	A39 G43 E45 L51 L52 V80	A39-T47 WeakPolarHBondContact CA-OG1 3.44Å; A39-T47 HydrophobicContact CB-CG2 3.93Å; A39-T47 PolarHBondContact O-OG1 3.45Å; G43-T47 VanDerWaalsContact O-CB 3.29Å; G43-T47 WeakPolarHBondContact O-CB 3.34Å; G43-T47 PolarHBondContact O-N 3.1Å; G43-T47 PolarHBondContact O-OG1 2.99Å; E45-T47 VanDerWaalsContact C-N 3.32Å; E45-T47 PolarHBondContact O-N 3.24Å; T47-L51 HydrophobicContact CG2-CD2 4.32Å; T47-L51 WeakPolarHBondContact O-CB 3.18Å; T47-L51 PolarHBondContact O-N 3.35Å; T47-L52 WeakPolarHBondContact O-CG 3.46Å; T47-L52 PolarHBondContact O-N 3.31Å; T47-V80 HydrophobicContact CG2-CG1 4.12Å
48	R	94.8	Very high	89.3	Confident	51 Å²	51	49.3 Å²	49.3	19%	0.192	28%	0.275	C	S	.	.	I	π-helix	trans	-74.5	-42.2	178.9	-70.1	173.8	-71.7	169.9	-0.4	113.6	V44 E45 R46 P53 V80 Y85 C88	V44-R48 WeakPolarHBondContact O-CG 3.4Å; V44-R48 PolarHBondContact O-N 3.24Å; V44-R48 PolarHBondContact O-NE 3.25Å; E45-R48 WeakPolarHBondContact O-CB 3.47Å; E45-R48 PolarHBondContact O-N 3.49Å; R46-R48 PolarHBondContact O-N 3.42Å; R48-P53 WeakPolarHBondContact O-CD 3.45Å; R48-V80 WeakPolarHBondContact CD-O 3.34Å; R48-V80 HydrophobicContact CG-CB 4.02Å; R48-V80 HydrophobicContact CG-CG1 4.4Å; R48-V80 PolarHBondContact NE-O 2.96Å; R48-Y85 VanDerWaalsContact NH1-CD2 3.25Å; R48-Y85 VanDerWaalsContact NH1-CE2 3.28Å; R48-C88 HydrophobicContact CG-CB 4.25Å
49	T	92.5	Very high	88.7	Confident	90 Å²	90	48.7 Å²	48.7	55%	0.552	27%	0.272	S	S	*	.	I	π-helix	trans	-89.1	-21.5	-170.9	57.5	0	0	0	0	114.2	E45 R46	E45-T49 PolarHBondContact O-N 2.96Å; E45-T49 PolarHBondContact O-OG1 3.38Å; R46-T49 PolarHBondContact O-N 3.48Å
50	E	88.8	Confident	88	Confident	72 Å²	72	58.5 Å²	58.5	34%	0.336	31%	0.31	S	S	.	.	I	π-helix	trans	-119.6	-55.6	-176.6	-62.4	170.7	-134.7	0	0	111.6	I13 R46 F54	I13-E50 HydrophobicContact CD1-CB 4.24Å; I13-E50 VanDerWaalsContact CD1-OE2 3.23Å; I13-E50 WeakPolarHBondContact CD1-OE2 3.47Å; R46-E50 WeakPolarHBondContact CG-OE1 3.29Å; R46-E50 IonicContact CZ-OE1 3.45Å; R46-E50 IonicContact CZ-OE2 3.16Å; R46-E50 IonicContact NE-OE1 2.77Å; R46-E50 PolarHBondContact NE-OE1 3.06Å; R46-E50 IonicContact NE-OE2 2.67Å; R46-E50 PolarHBondContact NE-OE2 3.43Å; R46-E50 IonicContact NH2-OE1 3.37Å; R46-E50 IonicContact NH2-OE2 2.69Å; R46-E50 PolarHBondContact NH2-OE2 3.42Å; R46-E50 WeakPolarHBondContact O-CA 3.3Å; R46-E50 WeakPolarHBondContact O-CB 3.26Å; R46-E50 PolarHBondContact O-N 3.21Å; E50-F54 WeakPolarHBondContact O-CB 3.46Å; E50-F54 PolarHBondContact O-N 3.24Å
51	L	89.8	Confident	87.5	Confident	4 Å²	4	54.2 Å²	54.2	2%	0.021	29%	0.288	C	S	.	.	I	π-helix	trans	-68.9	-48.7	-171.9	-177.4	61	0	0	0	112.8	L16 L35 A39 L42 R46 T47 F54 L55	L16-L51 HydrophobicContact CD2-CD1 3.56Å; L35-L51 HydrophobicContact CD1-CD1 4.23Å; L35-L51 HydrophobicContact CD1-CD2 4.32Å; L35-L51 HydrophobicContact CG-CD2 4.5Å; A39-L51 HydrophobicContact CB-CD2 4.25Å; L42-L51 HydrophobicContact CD1-CB 4.21Å; L42-L51 HydrophobicContact CD1-CD2 4.28Å; R46-L51 PolarHBondContact O-N 3.37Å; T47-L51 HydrophobicContact CG2-CD2 4.32Å; T47-L51 WeakPolarHBondContact O-CB 3.18Å; T47-L51 PolarHBondContact O-N 3.35Å; L51-F54 PolarHBondContact O-N 2.85Å; L51-L55 HydrophobicContact CD1-CD1 4.13Å; L51-L55 HydrophobicContact CD1-CG 4.15Å; L51-L55 HydrophobicContact CG-CD1 3.91Å; L51-L55 HydrophobicContact CG-CG 4.37Å; L51-L55 VanDerWaalsContact O-CG 3.29Å; L51-L55 WeakPolarHBondContact O-CG 3.31Å; L51-L55 PolarHBondContact O-N 3.01Å
52	L	92.9	Very high	87.6	Confident	5 Å²	5	56.2 Å²	56.2	3%	0.026	29%	0.286	C	S	.	.	H	α-helix	trans	-64.3	-44	-178.4	-66.1	179.5	0	0	0	113.5	T47 F54 L55 T56 L73 V80 C88 L89	T47-L52 WeakPolarHBondContact O-CG 3.46Å; T47-L52 PolarHBondContact O-N 3.31Å; L52-F54 VanDerWaalsContact C-N 3.34Å; L52-F54 PolarHBondContact O-N 3.29Å; L52-L55 HydrophobicContact CD2-CD1 4.42Å; L52-L55 PolarHBondContact O-N 3.02Å; L52-T56 WeakPolarHBondContact O-CB 3.26Å; L52-T56 PolarHBondContact O-N 3.45Å; L52-T56 PolarHBondContact O-OG1 3.42Å; L52-L73 HydrophobicContact CD2-CD2 3.95Å; L52-V80 HydrophobicContact CD1-CG1 3.91Å; L52-C88 HydrophobicContact CD1-CB 3.84Å; L52-C88 WeakPolarHBondContact CD1-O 3.33Å; L52-L89 HydrophobicContact CD1-CD2 4Å; L52-L89 HydrophobicContact CD2-CD2 3.79Å
53	P	91.5	Very high	87.8	Confident	55 Å²	55	59.3 Å²	59.3	36%	0.357	30%	0.302	S	S	.	.	H	α-helix	trans	-58.7	-44.9	172.1	-27.2	36.6	0	0	0	112.3	R48 L55 T56 D57	R48-P53 WeakPolarHBondContact O-CD 3.45Å; P53-L55 VanDerWaalsContact C-N 3.34Å; P53-L55 PolarHBondContact O-N 3.07Å; P53-T56 WeakPolarHBondContact O-CB 3.34Å; P53-T56 PolarHBondContact O-N 3.22Å; P53-T56 VanDerWaalsContact O-N 3.1Å; P53-D57 PolarHBondContact O-N 3.09Å
54	F	87.8	Confident	87.9	Confident	36 Å²	36	63.7 Å²	63.7	16%	0.158	32%	0.315	C	S	.	.	H	α-helix	trans	-58.4	-45.4	176.7	174.3	-95.1	0	0	0	112.2	I17 L20 E50 L51 L52 T56 D57 T58	I17-F54 HydrophobicContact CB-CZ 4.35Å; I17-F54 HydrophobicContact CD1-CD2 4.39Å; I17-F54 HydrophobicContact CD1-CE2 4.22Å; I17-F54 HydrophobicContact CG1-CD2 4.27Å; I17-F54 HydrophobicContact CG1-CE1 4.22Å; I17-F54 HydrophobicContact CG1-CE2 3.77Å; I17-F54 HydrophobicContact CG1-CZ 3.76Å; I17-F54 HydrophobicContact CG2-CE2 4.31Å; I17-F54 HydrophobicContact CG2-CZ 4.37Å; L20-F54 HydrophobicContact CD1-CE1 3.76Å; E50-F54 WeakPolarHBondContact O-CB 3.46Å; E50-F54 PolarHBondContact O-N 3.24Å; L51-F54 PolarHBondContact O-N 2.85Å; L52-F54 VanDerWaalsContact C-N 3.34Å; L52-F54 PolarHBondContact O-N 3.29Å; F54-T56 VanDerWaalsContact C-N 3.29Å; F54-T56 PolarHBondContact O-N 2.93Å; F54-D57 PolarHBondContact O-N 2.88Å; F54-T58 WeakPolarHBondContact O-CB 3.21Å; F54-T58 PolarHBondContact O-N 3.22Å; F54-T58 VanDerWaalsContact O-N 3.14Å; F54-T58 PolarHBondContact O-OG1 3.03Å
55	L	89.3	Confident	87.8	Confident	3 Å²	3	60.8 Å²	60.8	2%	0.016	30%	0.297	C	S	.	.	H	α-helix	trans	-64.4	-35.2	177.1	-69.2	170.1	0	0	0	112	L20 I32 L35 L51 L52 P53 T58 I59 L69 L73	L20-L55 HydrophobicContact CD1-CD2 4.38Å; I32-L55 HydrophobicContact CD1-CD2 4.4Å; L35-L55 HydrophobicContact CD1-CD1 4.15Å; L35-L55 HydrophobicContact CD1-CD2 4.11Å; L35-L55 HydrophobicContact CD2-CD1 3.7Å; L35-L55 HydrophobicContact CD2-CD2 4.47Å; L35-L55 HydrophobicContact CG-CD1 4.37Å; L51-L55 HydrophobicContact CD1-CD1 4.13Å; L51-L55 HydrophobicContact CD1-CG 4.15Å; L51-L55 HydrophobicContact CG-CD1 3.91Å; L51-L55 HydrophobicContact CG-CG 4.37Å; L51-L55 VanDerWaalsContact O-CG 3.29Å; L51-L55 WeakPolarHBondContact O-CG 3.31Å; L51-L55 PolarHBondContact O-N 3.01Å; L52-L55 HydrophobicContact CD2-CD1 4.42Å; L52-L55 PolarHBondContact O-N 3.02Å; P53-L55 VanDerWaalsContact C-N 3.34Å; P53-L55 PolarHBondContact O-N 3.07Å; L55-T58 PolarHBondContact O-N 3.24Å; L55-I59 WeakPolarHBondContact O-CG1 3.37Å; L55-L69 HydrophobicContact CD1-CD1 4.18Å; L55-L69 HydrophobicContact CD2-CD1 3.99Å; L55-L73 HydrophobicContact CD1-CD2 4.43Å
56	T	88.4	Confident	87.8	Confident	35 Å²	35	54.8 Å²	54.8	22%	0.215	27%	0.269	C	S	.	.	H	α-helix	trans	-69.5	-40.7	179.2	-54.2	0	0	0	0	111.7	L52 P53 F54 T58 I59 P91 P92	L52-T56 WeakPolarHBondContact O-CB 3.26Å; L52-T56 PolarHBondContact O-N 3.45Å; L52-T56 PolarHBondContact O-OG1 3.42Å; P53-T56 WeakPolarHBondContact O-CB 3.34Å; P53-T56 PolarHBondContact O-N 3.22Å; P53-T56 VanDerWaalsContact O-N 3.1Å; F54-T56 VanDerWaalsContact C-N 3.29Å; F54-T56 PolarHBondContact O-N 2.93Å; T56-T58 PolarHBondContact O-N 3.26Å; T56-I59 HydrophobicContact CG2-CD1 4.42Å; T56-I59 WeakPolarHBondContact O-CG1 3.46Å; T56-P91 HydrophobicContact CG2-CB 4.48Å; T56-P92 WeakPolarHBondContact OG1-CB 3.48Å; T56-P92 WeakPolarHBondContact OG1-CD 3.41Å
57	D	84.6	Confident	88.1	Confident	128 Å²	128	54.9 Å²	54.9	68%	0.684	27%	0.273	S	S	*	.	H	α-helix	trans	-73.5	-19.3	178.3	-67.3	-18.6	0	0	0	112.5	P53 F54	P53-D57 PolarHBondContact O-N 3.09Å; F54-D57 PolarHBondContact O-N 2.88Å
58	T	78	Confident	88.2	Confident	49 Å²	49	55.3 Å²	55.3	30%	0.301	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	19.4	-177.2	-43.2	0	0	0	0	112.6	F54 L55 T56 Y60	F54-T58 WeakPolarHBondContact O-CB 3.21Å; F54-T58 PolarHBondContact O-N 3.22Å; F54-T58 VanDerWaalsContact O-N 3.14Å; F54-T58 PolarHBondContact O-OG1 3.03Å; L55-T58 PolarHBondContact O-N 3.24Å; T56-T58 PolarHBondContact O-N 3.26Å; T58-Y60 PolarHBondContact O-N 3.34Å
59	I	74.4	Confident	88.2	Confident	5 Å²	5	53.2 Å²	53.2	3%	0.026	27%	0.27	C	S	.	.			trans	-77.8	49.6	178.4	-55.3	175.2	0	0	0	111.1	L55 T56 L66 P92 S95 L96 V99	L55-I59 WeakPolarHBondContact O-CG1 3.37Å; T56-I59 HydrophobicContact CG2-CD1 4.42Å; T56-I59 WeakPolarHBondContact O-CG1 3.46Å; I59-L66 HydrophobicContact CG2-CD2 4.18Å; I59-P92 HydrophobicContact CD1-CB 4.16Å; I59-P92 WeakPolarHBondContact CD1-O 3.29Å; I59-S95 VanDerWaalsContact CD1-CB 3.43Å; I59-S95 WeakPolarHBondContact CD1-OG 3.28Å; I59-L96 HydrophobicContact CD1-CG 4.19Å; I59-L96 HydrophobicContact CG2-CD2 3.69Å; I59-L96 HydrophobicContact CG2-CG 4.06Å; I59-V99 HydrophobicContact CG2-CG1 4.27Å
60	Y	73.6	Confident	88.4	Confident	208 Å²	208	49 Å²	49	82%	0.816	24%	0.243	S	C	*	.			trans	-142.4	73.2	175.7	-60.3	-75.9	0	0	0	107.8	T58	T58-Y60 PolarHBondContact O-N 3.34Å
61	D	79.3	Confident	88.8	Confident	36 Å²	36	49.8 Å²	49.8	19%	0.193	25%	0.247	C	C	.	.	S	Bend	trans	-138	179.5	-179.8	-152	-25.3	0	0	0	109.8	R28 V65 L66	R28-D61 WeakPolarHBondContact CD-OD2 3.22Å; R28-D61 IonicContact CZ-OD1 2.71Å; R28-D61 VanDerWaalsContact CZ-OD1 3.26Å; R28-D61 IonicContact CZ-OD2 3.55Å; R28-D61 VanDerWaalsContact NE-CG 3.34Å; R28-D61 IonicContact NE-OD1 2.79Å; R28-D61 PolarHBondContact NE-OD1 2.92Å; R28-D61 IonicContact NE-OD2 4Å; R28-D61 PolarHBondContact NE-OD2 2.75Å; R28-D61 IonicContact NH2-OD1 3.49Å; R28-D61 PolarHBondContact NH2-OD1 3.16Å; D61-V65 HydrophobicContact CB-CB 4.32Å; D61-V65 HydrophobicContact CB-CG1 4.37Å; D61-L66 HydrophobicContact CB-CD2 4.15Å; D61-L66 HydrophobicContact CB-CG 4.47Å; D61-L66 WeakPolarHBondContact O-CD1 3.38Å
62	E	87.1	Confident	89.1	Confident	109 Å²	109	51.2 Å²	51.2	51%	0.509	25%	0.254	S	S	.	.			trans	-63.6	148.1	177	-65.1	-67.8	156.9	0	0	112.2	V25 E64 V65 L66	V25-E62 HydrophobicContact CG1-CB 4.15Å; V25-E62 HydrophobicContact CG1-CG 4.22Å; V25-E62 HydrophobicContact CG2-CG 3.95Å; E62-E64 VanDerWaalsContact C-N 3.26Å; E62-E64 PolarHBondContact O-N 3.16Å; E62-E64 VanDerWaalsContact O-N 3.13Å; E62-V65 HydrophobicContact CB-CG2 4.44Å; E62-V65 WeakPolarHBondContact O-CB 3.46Å; E62-V65 PolarHBondContact O-N 3.2Å; E62-L66 PolarHBondContact O-N 2.91Å; E62-L66 VanDerWaalsContact O-N 3.11Å
63	D	91.6	Very high	89.2	Confident	79 Å²	79	51 Å²	51	42%	0.422	25%	0.253	S	S	.	.	H	α-helix	trans	-55.9	-36.7	-172.3	-66.3	-33.5	0	0	0	113.5	V65 L66 L67 E101 V104	D63-V65 VanDerWaalsContact C-N 3.33Å; D63-V65 PolarHBondContact O-N 3.47Å; D63-L66 PolarHBondContact O-N 2.87Å; D63-L67 VanDerWaalsContact O-CB 3.22Å; D63-L67 WeakPolarHBondContact O-CB 3.49Å; D63-L67 PolarHBondContact O-N 2.89Å; D63-E101 HydrophobicContact CB-CG 4.12Å; D63-E101 WeakPolarHBondContact OD1-CB 3.29Å; D63-V104 HydrophobicContact CB-CG2 4.44Å
64	E	91.6	Very high	89.5	Confident	122 Å²	122	48.4 Å²	48.4	57%	0.57	24%	0.237	S	C	*	.	H	α-helix	trans	-64.6	-36.5	177.5	-66.7	-170.5	175.7	0	0	112.7	L29 E62 A68	L29-E64 WeakPolarHBondContact CD1-O 3.39Å; E62-E64 VanDerWaalsContact C-N 3.26Å; E62-E64 PolarHBondContact O-N 3.16Å; E62-E64 VanDerWaalsContact O-N 3.13Å; E64-A68 PolarHBondContact O-N 3.25Å; E64-A68 VanDerWaalsContact O-N 3.15Å
65	V	92.2	Very high	89.9	Confident	3 Å²	3	50.5 Å²	50.5	2%	0.018	25%	0.249	C	C	.	.	H	α-helix	trans	-72.7	-44.5	179.4	-176.2	0	0	0	0	109.5	V25 R28 L29 I32 D61 E62 D63 L67 A68 L69	V25-V65 HydrophobicContact CG1-CG2 3.99Å; R28-V65 HydrophobicContact CB-CG1 4.49Å; R28-V65 HydrophobicContact CB-CG2 4.22Å; L29-V65 HydrophobicContact CB-CG2 4.39Å; I32-V65 HydrophobicContact CG1-CG1 3.62Å; D61-V65 HydrophobicContact CB-CB 4.32Å; D61-V65 HydrophobicContact CB-CG1 4.37Å; E62-V65 HydrophobicContact CB-CG2 4.44Å; E62-V65 WeakPolarHBondContact O-CB 3.46Å; E62-V65 PolarHBondContact O-N 3.2Å; D63-V65 VanDerWaalsContact C-N 3.33Å; D63-V65 PolarHBondContact O-N 3.47Å; V65-L67 VanDerWaalsContact C-N 3.34Å; V65-L67 PolarHBondContact O-N 2.97Å; V65-A68 PolarHBondContact O-N 3.47Å; V65-L69 WeakPolarHBondContact O-CB 3.48Å; V65-L69 PolarHBondContact O-N 3.09Å
66	L	94.3	Very high	90.2	Very high	9 Å²	9	50.3 Å²	50.3	5%	0.047	25%	0.248	C	C	.	.	H	α-helix	trans	-63.8	-39.4	177.1	-61.5	-177.7	0	0	0	112	I59 D61 E62 D63 L69 A70 L96 V104	I59-L66 HydrophobicContact CG2-CD2 4.18Å; D61-L66 HydrophobicContact CB-CD2 4.15Å; D61-L66 HydrophobicContact CB-CG 4.47Å; D61-L66 WeakPolarHBondContact O-CD1 3.38Å; E62-L66 PolarHBondContact O-N 2.91Å; E62-L66 VanDerWaalsContact O-N 3.11Å; D63-L66 PolarHBondContact O-N 2.87Å; L66-L69 PolarHBondContact O-N 2.98Å; L66-A70 WeakPolarHBondContact O-CB 3.44Å; L66-A70 PolarHBondContact O-N 2.88Å; L66-L96 HydrophobicContact CB-CD2 4.01Å; L66-L96 HydrophobicContact CD2-CD2 4.01Å; L66-V104 HydrophobicContact CB-CG1 3.77Å; L66-V104 HydrophobicContact CB-CG2 4.02Å
67	L	95.5	Very high	90.6	Very high	53 Å²	53	49.3 Å²	49.3	28%	0.277	24%	0.242	S	C	.	.	H	α-helix	trans	-60.8	-47.9	175.6	-178.5	62.4	0	0	0	111.4	D63 V65 L69 A70 E71 V103 V104 K107	D63-L67 VanDerWaalsContact O-CB 3.22Å; D63-L67 WeakPolarHBondContact O-CB 3.49Å; D63-L67 PolarHBondContact O-N 2.89Å; V65-L67 VanDerWaalsContact C-N 3.34Å; V65-L67 PolarHBondContact O-N 2.97Å; L67-L69 VanDerWaalsContact C-N 3.31Å; L67-L69 PolarHBondContact O-N 3.46Å; L67-A70 PolarHBondContact O-N 3.23Å; L67-E71 PolarHBondContact O-N 2.82Å; L67-E71 VanDerWaalsContact O-N 3.14Å; L67-V103 HydrophobicContact CD1-CG1 3.89Å; L67-V103 HydrophobicContact CD2-CG1 4.08Å; L67-V104 HydrophobicContact CB-CG2 4.24Å; L67-K107 HydrophobicContact CD1-CB 3.52Å; L67-K107 HydrophobicContact CD1-CG 3.86Å
68	A	94.6	Very high	91.2	Very high	10 Å²	10	50 Å²	50	8%	0.083	24%	0.243	C	C	.	.	H	α-helix	trans	-64.5	-37.7	177	0	0	0	0	0	111.7	L29 I32 E64 V65 E71 Q72	L29-A68 HydrophobicContact CD1-CB 3.6Å; I32-A68 HydrophobicContact CG2-CB 3.71Å; E64-A68 PolarHBondContact O-N 3.25Å; E64-A68 VanDerWaalsContact O-N 3.15Å; V65-A68 PolarHBondContact O-N 3.47Å; A68-E71 PolarHBondContact O-N 2.96Å; A68-Q72 WeakPolarHBondContact O-CG 3.21Å; A68-Q72 PolarHBondContact O-N 3.12Å
69	L	95	Very high	92	Very high	7 Å²	7	48.8 Å²	48.8	4%	0.037	23%	0.234	C	C	.	.	H	α-helix	trans	-64.5	-47.5	177.8	175.5	59.7	0	0	0	111	I32 L35 L55 V65 L66 L67 E71 Q72 L73 L96	I32-L69 HydrophobicContact CD1-CB 4.48Å; I32-L69 HydrophobicContact CD1-CD1 4.22Å; I32-L69 HydrophobicContact CG2-CB 4.03Å; L35-L69 HydrophobicContact CD2-CD1 3.85Å; L55-L69 HydrophobicContact CD1-CD1 4.18Å; L55-L69 HydrophobicContact CD2-CD1 3.99Å; V65-L69 WeakPolarHBondContact O-CB 3.48Å; V65-L69 PolarHBondContact O-N 3.09Å; L66-L69 PolarHBondContact O-N 2.98Å; L67-L69 VanDerWaalsContact C-N 3.31Å; L67-L69 PolarHBondContact O-N 3.46Å; L69-E71 VanDerWaalsContact C-N 3.29Å; L69-E71 PolarHBondContact O-N 3.32Å; L69-Q72 PolarHBondContact O-N 3.26Å; L69-L73 HydrophobicContact CD1-CD1 4Å; L69-L73 HydrophobicContact CD1-CD2 4.47Å; L69-L73 HydrophobicContact CD1-CG 4.02Å; L69-L73 HydrophobicContact CG-CD1 4.07Å; L69-L73 HydrophobicContact CG-CG 4.5Å; L69-L73 WeakPolarHBondContact O-CG 3.13Å; L69-L73 PolarHBondContact O-N 3.38Å; L69-L96 HydrophobicContact CD2-CD1 4.28Å; L69-L96 HydrophobicContact CG-CD1 4.1Å
70	A	96.8	Very high	93	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-54.8	-46.8	175.9	0	0	0	0	0	111.2	L66 L67 L73 G74 L96 K107 A108 S111	L66-A70 WeakPolarHBondContact O-CB 3.44Å; L66-A70 PolarHBondContact O-N 2.88Å; L67-A70 PolarHBondContact O-N 3.23Å; A70-L73 PolarHBondContact O-N 2.9Å; A70-G74 PolarHBondContact O-N 3.45Å; A70-L96 HydrophobicContact CB-CD1 4.03Å; A70-K107 HydrophobicContact CB-CB 4.16Å; A70-K107 HydrophobicContact CB-CG 3.74Å; A70-A108 HydrophobicContact CB-CB 4.31Å; A70-S111 WeakPolarHBondContact O-CB 3.17Å; A70-S111 PolarHBondContact O-OG 3.29Å
71	E	96.8	Very high	94	Very high	90 Å²	90	40.1 Å²	40.1	42%	0.421	21%	0.21	S	C	.	.	H	α-helix	trans	-63.2	-42.3	177.7	-178.3	169.6	-138.4	0	0	113.4	L67 A68 L69 G74 N75 K107	L67-E71 PolarHBondContact O-N 2.82Å; L67-E71 VanDerWaalsContact O-N 3.14Å; A68-E71 PolarHBondContact O-N 2.96Å; L69-E71 VanDerWaalsContact C-N 3.29Å; L69-E71 PolarHBondContact O-N 3.32Å; E71-G74 PolarHBondContact O-N 3.39Å; E71-N75 PolarHBondContact O-ND2 3.02Å; E71-K107 HydrophobicContact CB-CD 3.83Å; E71-K107 HydrophobicContact CB-CG 4.06Å; E71-K107 HydrophobicContact CG-CD 4.34Å; E71-K107 IonicContact OE1-NZ 2.77Å
72	Q	95.7	Very high	94.7	Very high	33 Å²	33	38.7 Å²	38.7	15%	0.154	20%	0.203	C	C	.	.	H	α-helix	trans	-62.6	-47.2	178	-73.5	-58.5	-62.1	0	0	111	I32 L35 S36 A68 L69 G74 N75 F76	I32-Q72 HydrophobicContact CG2-CG 4.31Å; I32-Q72 WeakPolarHBondContact O-CG 3.29Å; L35-Q72 HydrophobicContact CD2-CB 4.35Å; S36-Q72 PolarHBondContact OG-OE1 3.18Å; A68-Q72 WeakPolarHBondContact O-CG 3.21Å; A68-Q72 PolarHBondContact O-N 3.12Å; L69-Q72 PolarHBondContact O-N 3.26Å; Q72-G74 PolarHBondContact O-N 2.9Å; Q72-N75 WeakPolarHBondContact O-CA 3.33Å; Q72-N75 PolarHBondContact O-N 3.23Å; Q72-F76 HydrophobicContact CB-CE2 3.96Å; Q72-F76 WeakPolarHBondContact O-CD2 3.34Å; Q72-F76 WeakPolarHBondContact O-CE2 3.42Å
73	L	96.4	Very high	95.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-59.8	-30.5	-178.2	-68.2	172.7	0	0	0	113	L52 L55 L69 A70 N75 F76 L89 P92 L93 L96	L52-L73 HydrophobicContact CD2-CD2 3.95Å; L55-L73 HydrophobicContact CD1-CD2 4.43Å; L69-L73 HydrophobicContact CD1-CD1 4Å; L69-L73 HydrophobicContact CD1-CD2 4.47Å; L69-L73 HydrophobicContact CD1-CG 4.02Å; L69-L73 HydrophobicContact CG-CD1 4.07Å; L69-L73 HydrophobicContact CG-CG 4.5Å; L69-L73 WeakPolarHBondContact O-CG 3.13Å; L69-L73 PolarHBondContact O-N 3.38Å; A70-L73 PolarHBondContact O-N 2.9Å; L73-N75 PolarHBondContact O-N 3.25Å; L73-N75 VanDerWaalsContact O-N 3.15Å; L73-F76 HydrophobicContact CD2-CD1 4.2Å; L73-F76 PolarHBondContact O-N 3.37Å; L73-L89 HydrophobicContact CD2-CD2 4.13Å; L73-P92 HydrophobicContact CD1-CB 3.77Å; L73-P92 HydrophobicContact CD1-CG 4.03Å; L73-L93 HydrophobicContact CB-CD1 4.36Å; L73-L93 HydrophobicContact CB-CD2 3.86Å; L73-L93 HydrophobicContact CB-CG 4.04Å; L73-L93 HydrophobicContact CD1-CD2 4.16Å; L73-L93 HydrophobicContact CD1-CG 4.21Å; L73-L96 HydrophobicContact CD1-CD1 3.84Å
74	G	96.3	Very high	95.3	Very high	2 Å²	2	39.4 Å²	39.4	2%	0.021	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-15	172.6	0	0	0	0	0	115	A70 E71 Q72 K114	A70-G74 PolarHBondContact O-N 3.45Å; E71-G74 PolarHBondContact O-N 3.39Å; Q72-G74 PolarHBondContact O-N 2.9Å; G74-K114 WeakPolarHBondContact O-CD 3.33Å
75	N	96.4	Very high	95.5	Very high	79 Å²	79	37.8 Å²	37.8	42%	0.422	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	7.3	179.5	-62.2	-61.2	0	0	0	113.3	E71 Q72 L73 K114	E71-N75 PolarHBondContact O-ND2 3.02Å; Q72-N75 WeakPolarHBondContact O-CA 3.33Å; Q72-N75 PolarHBondContact O-N 3.23Å; L73-N75 PolarHBondContact O-N 3.25Å; L73-N75 VanDerWaalsContact O-N 3.15Å; N75-K114 PolarHBondContact OD1-NZ 2.79Å
76	F	96.6	Very high	95.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.198	C	C	.	.			trans	-88.6	-1.5	-169	-92.3	-137.6	0	0	0	115.4	L35 A39 Q72 L73 M78 L79 V80 L89	L35-F76 HydrophobicContact CB-CZ 3.75Å; L35-F76 HydrophobicContact CD2-CE1 3.75Å; L35-F76 HydrophobicContact CD2-CE2 4.3Å; L35-F76 HydrophobicContact CD2-CZ 3.43Å; L35-F76 VanDerWaalsContact CD2-CZ 3.43Å; L35-F76 HydrophobicContact CG-CE1 3.91Å; L35-F76 HydrophobicContact CG-CZ 3.48Å; L35-F76 VanDerWaalsContact CG-CZ 3.48Å; A39-F76 HydrophobicContact CB-CE1 4.19Å; Q72-F76 HydrophobicContact CB-CE2 3.96Å; Q72-F76 WeakPolarHBondContact O-CD2 3.34Å; Q72-F76 WeakPolarHBondContact O-CE2 3.42Å; L73-F76 HydrophobicContact CD2-CD1 4.2Å; L73-F76 PolarHBondContact O-N 3.37Å; F76-M78 VanDerWaalsContact C-N 3.33Å; F76-M78 PolarHBondContact O-N 2.71Å; F76-L79 HydrophobicContact CD1-CD1 4.41Å; F76-L79 HydrophobicContact CD2-CD1 3.77Å; F76-L79 HydrophobicContact CE1-CD1 4.42Å; F76-L79 HydrophobicContact CE2-CD1 3.81Å; F76-L79 HydrophobicContact CG-CD1 4.09Å; F76-L79 HydrophobicContact CZ-CD1 4.11Å; F76-L79 CarbonylContact O-C 3.55Å; F76-L79 WeakPolarHBondContact O-CA 3.26Å; F76-L79 WeakPolarHBondContact O-CB 3.46Å; F76-L79 PolarHBondContact O-N 3.24Å; F76-V80 PolarHBondContact O-N 3.24Å; F76-L89 HydrophobicContact CB-CD1 3.87Å; F76-L89 HydrophobicContact CB-CD2 3.66Å; F76-L89 HydrophobicContact CB-CG 4.43Å; F76-L89 HydrophobicContact CD1-CD2 4.46Å; F76-L89 HydrophobicContact CG-CD2 4.49Å
77	T	96.4	Very high	95.8	Very high	13 Å²	13	39.7 Å²	39.7	8%	0.08	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	-49.4	-175.2	-52.9	0	0	0	0	113	L79 V80 G82 V86 E118	T77-L79 VanDerWaalsContact C-N 3.32Å; T77-L79 PolarHBondContact O-N 3.02Å; T77-V80 WeakPolarHBondContact O-CG2 3.32Å; T77-V80 PolarHBondContact O-N 2.89Å; T77-G82 VanDerWaalsContact O-CA 3.28Å; T77-G82 WeakPolarHBondContact O-CA 3.14Å; T77-G82 PolarHBondContact O-N 3.32Å; T77-V86 HydrophobicContact CG2-CB 4.33Å; T77-V86 HydrophobicContact CG2-CG2 4.22Å; T77-E118 HydrophobicContact CG2-CB 4Å; T77-E118 HydrophobicContact CG2-CG 3.92Å
78	M	96.3	Very high	95.9	Very high	144 Å²	144	38.7 Å²	38.7	71%	0.709	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-70.2	-30.2	179.6	-65.3	-54	-61.4	0	0	112.8	F76 V80 G81	F76-M78 VanDerWaalsContact C-N 3.33Å; F76-M78 PolarHBondContact O-N 2.71Å; M78-V80 VanDerWaalsContact C-N 3.3Å; M78-V80 PolarHBondContact O-N 2.95Å; M78-G81 PolarHBondContact O-N 3.19Å
79	L	95	Very high	96	Very high	22 Å²	22	38.2 Å²	38.2	12%	0.115	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-75.9	-18.9	-178.6	-61.3	173.8	0	0	0	112.8	A39 L40 F76 T77	A39-L79 HydrophobicContact CB-CB 4.01Å; A39-L79 HydrophobicContact CB-CD1 4.12Å; A39-L79 HydrophobicContact CB-CD2 4.4Å; A39-L79 HydrophobicContact CB-CG 4.41Å; L40-L79 HydrophobicContact CD2-CD2 3.64Å; L40-L79 HydrophobicContact CG-CD2 3.64Å; F76-L79 HydrophobicContact CD1-CD1 4.41Å; F76-L79 HydrophobicContact CD2-CD1 3.77Å; F76-L79 HydrophobicContact CE1-CD1 4.42Å; F76-L79 HydrophobicContact CE2-CD1 3.81Å; F76-L79 HydrophobicContact CG-CD1 4.09Å; F76-L79 HydrophobicContact CZ-CD1 4.11Å; F76-L79 CarbonylContact O-C 3.55Å; F76-L79 WeakPolarHBondContact O-CA 3.26Å; F76-L79 WeakPolarHBondContact O-CB 3.46Å; F76-L79 PolarHBondContact O-N 3.24Å; T77-L79 VanDerWaalsContact C-N 3.32Å; T77-L79 PolarHBondContact O-N 3.02Å
80	V	96.4	Very high	96.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-96.1	2.8	173.5	-59.9	0	0	0	0	113.6	T47 R48 L52 F76 T77 M78 Y85 L89	T47-V80 HydrophobicContact CG2-CG1 4.12Å; R48-V80 WeakPolarHBondContact CD-O 3.34Å; R48-V80 HydrophobicContact CG-CB 4.02Å; R48-V80 HydrophobicContact CG-CG1 4.4Å; R48-V80 PolarHBondContact NE-O 2.96Å; L52-V80 HydrophobicContact CD1-CG1 3.91Å; F76-V80 PolarHBondContact O-N 3.24Å; T77-V80 WeakPolarHBondContact O-CG2 3.32Å; T77-V80 PolarHBondContact O-N 2.89Å; M78-V80 VanDerWaalsContact C-N 3.3Å; M78-V80 PolarHBondContact O-N 2.95Å; V80-Y85 WeakPolarHBondContact O-CB 3.38Å; V80-L89 HydrophobicContact CG1-CD2 3.78Å; V80-L89 HydrophobicContact CG1-CG 4.19Å; V80-L89 HydrophobicContact CG2-CD1 4.26Å; V80-L89 HydrophobicContact CG2-CG 4.36Å
81	G	94	Very high	96.1	Very high	32 Å²	32	41.3 Å²	41.3	33%	0.33	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	102.6	17.6	179.3	0	0	0	0	0	114.9	M78	M78-G81 PolarHBondContact O-N 3.19Å
82	G	94.8	Very high	96.1	Very high	5 Å²	5	37.1 Å²	37.1	5%	0.052	20%	0.201	C	C	.	.	S	Bend	trans	89.8	-169.2	173.4	0	0	0	0	0	114.3	T77 E84 Y85 V86	T77-G82 VanDerWaalsContact O-CA 3.28Å; T77-G82 WeakPolarHBondContact O-CA 3.14Å; T77-G82 PolarHBondContact O-N 3.32Å; G82-E84 PolarHBondContact O-N 3.32Å; G82-E84 VanDerWaalsContact O-N 3.14Å; G82-Y85 PolarHBondContact O-N 2.85Å; G82-Y85 VanDerWaalsContact O-N 3.08Å; G82-V86 PolarHBondContact O-N 2.69Å
83	P	94.6	Very high	96.2	Very high	62 Å²	62	35.5 Å²	35.5	40%	0.403	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-53.1	-32.4	-175.7	-33	39.4	0	0	0	115.6	Y85 V86 E118	P83-Y85 PolarHBondContact O-N 2.94Å; P83-Y85 VanDerWaalsContact O-N 3.17Å; P83-V86 VanDerWaalsContact O-CG1 3.26Å; P83-V86 WeakPolarHBondContact O-CG1 3.39Å; P83-V86 PolarHBondContact O-N 2.93Å; P83-E118 WeakPolarHBondContact CB-O 3.42Å
84	E	94.7	Very high	96.2	Very high	141 Å²	141	37.1 Å²	37.1	66%	0.659	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-62.6	-24	-180	-64	-178.6	-177.9	0	0	113.2	G82 H87	G82-E84 PolarHBondContact O-N 3.32Å; G82-E84 VanDerWaalsContact O-N 3.14Å; E84-H87 PolarHBondContact O-CE1 2.67Å; E84-H87 PolarHBondContact O-ND1 3.14Å
85	Y	96.4	Very high	96.2	Very high	88 Å²	88	38.7 Å²	38.7	35%	0.345	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-122.6	12.5	-174	-58.3	-67.9	0	0	0	113.8	R48 V80 G82 P83 H87 C88	R48-Y85 VanDerWaalsContact NH1-CD2 3.25Å; R48-Y85 VanDerWaalsContact NH1-CE2 3.28Å; V80-Y85 WeakPolarHBondContact O-CB 3.38Å; G82-Y85 PolarHBondContact O-N 2.85Å; G82-Y85 VanDerWaalsContact O-N 3.08Å; P83-Y85 PolarHBondContact O-N 2.94Å; P83-Y85 VanDerWaalsContact O-N 3.17Å; Y85-H87 PolarHBondContact O-N 3.41Å; Y85-C88 WeakPolarHBondContact O-CB 3.47Å; Y85-C88 PolarHBondContact O-N 3.43Å; Y85-C88 VanDerWaalsContact O-N 3.08Å; Y85-C88 PolarHBondContact O-SG 2.84Å; Y85-C88 VanDerWaalsContact O-SG 3.36Å
86	V	96.6	Very high	96.2	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-61.2	-27.7	179.6	68.3	0	0	0	0	112.5	T77 G82 P83 C88 L89 I115 E118 H119	T77-V86 HydrophobicContact CG2-CB 4.33Å; T77-V86 HydrophobicContact CG2-CG2 4.22Å; G82-V86 PolarHBondContact O-N 2.69Å; P83-V86 VanDerWaalsContact O-CG1 3.26Å; P83-V86 WeakPolarHBondContact O-CG1 3.39Å; P83-V86 PolarHBondContact O-N 2.93Å; V86-C88 PolarHBondContact O-N 3.41Å; V86-C88 VanDerWaalsContact O-N 3.13Å; V86-L89 HydrophobicContact CG2-CD1 4.32Å; V86-L89 WeakPolarHBondContact O-CB 3.42Å; V86-L89 PolarHBondContact O-N 3.11Å; V86-I115 HydrophobicContact CG2-CB 3.79Å; V86-I115 HydrophobicContact CG2-CD1 4.47Å; V86-I115 HydrophobicContact CG2-CG2 4.41Å; V86-E118 HydrophobicContact CB-CB 4.48Å; V86-E118 HydrophobicContact CG2-CB 4.11Å; V86-H119 HydrophobicContact CG1-CB 4.38Å; V86-H119 VanDerWaalsContact CG1-CE1 3.46Å; V86-H119 WeakPolarHBondContact CG1-CE1 3.15Å; V86-H119 WeakPolarHBondContact CG1-ND1 3.44Å
87	H	96.7	Very high	96.2	Very high	52 Å²	52	35 Å²	35	24%	0.241	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-61.2	-21.7	176.9	65.8	-91.7	0	0	0	113	E84 Y85 L89 L90 H127	E84-H87 PolarHBondContact O-CE1 2.67Å; E84-H87 PolarHBondContact O-ND1 3.14Å; Y85-H87 PolarHBondContact O-N 3.41Å; H87-L89 PolarHBondContact O-N 3.31Å; H87-L90 HydrophobicContact CB-CD1 4.17Å; H87-L90 WeakPolarHBondContact O-CB 3.34Å; H87-L90 WeakPolarHBondContact O-CG 3.46Å; H87-L90 PolarHBondContact O-N 3.03Å; H87-H127 HydrophobicContact CB-CB 3.89Å; H87-H127 AromaticContact CG-CD2 3.94Å
88	C	96.9	Very high	96.2	Very high	32 Å²	32	37.1 Å²	37.1	22%	0.216	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-64.9	-20.3	175.1	-57.8	0	0	0	0	112.9	R48 L52 Y85 V86 L90 P91	R48-C88 HydrophobicContact CG-CB 4.25Å; L52-C88 HydrophobicContact CD1-CB 3.84Å; L52-C88 WeakPolarHBondContact CD1-O 3.33Å; Y85-C88 WeakPolarHBondContact O-CB 3.47Å; Y85-C88 PolarHBondContact O-N 3.43Å; Y85-C88 VanDerWaalsContact O-N 3.08Å; Y85-C88 PolarHBondContact O-SG 2.84Å; Y85-C88 VanDerWaalsContact O-SG 3.36Å; V86-C88 PolarHBondContact O-N 3.41Å; V86-C88 VanDerWaalsContact O-N 3.13Å; C88-L90 VanDerWaalsContact C-N 3.34Å; C88-P91 WeakPolarHBondContact O-CD 3.47Å
89	L	97.5	Very high	96.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-82.1	-12.4	177.6	-62.1	171.9	0	0	0	113.1	L52 L73 F76 V80 V86 H87 P92 L93 I115	L52-L89 HydrophobicContact CD1-CD2 4Å; L52-L89 HydrophobicContact CD2-CD2 3.79Å; L73-L89 HydrophobicContact CD2-CD2 4.13Å; F76-L89 HydrophobicContact CB-CD1 3.87Å; F76-L89 HydrophobicContact CB-CD2 3.66Å; F76-L89 HydrophobicContact CB-CG 4.43Å; F76-L89 HydrophobicContact CD1-CD2 4.46Å; F76-L89 HydrophobicContact CG-CD2 4.49Å; V80-L89 HydrophobicContact CG1-CD2 3.78Å; V80-L89 HydrophobicContact CG1-CG 4.19Å; V80-L89 HydrophobicContact CG2-CD1 4.26Å; V80-L89 HydrophobicContact CG2-CG 4.36Å; V86-L89 HydrophobicContact CG2-CD1 4.32Å; V86-L89 WeakPolarHBondContact O-CB 3.42Å; V86-L89 PolarHBondContact O-N 3.11Å; H87-L89 PolarHBondContact O-N 3.31Å; L89-P92 WeakPolarHBondContact O-CD 3.27Å; L89-P92 WeakPolarHBondContact O-CG 3.46Å; L89-L93 HydrophobicContact CB-CD1 4.41Å; L89-L93 WeakPolarHBondContact O-CB 3.23Å; L89-L93 WeakPolarHBondContact O-CG 3.41Å; L89-L93 PolarHBondContact O-N 3.45Å; L89-I115 HydrophobicContact CB-CD1 3.93Å; L89-I115 HydrophobicContact CD1-CG2 4.34Å
90	L	97.6	Very high	95.9	Very high	8 Å²	8	39.1 Å²	39.1	4%	0.042	21%	0.213	C	C	.	.	H	α-helix	trans	-65.2	-46.5	-176.3	-60.4	177.8	0	0	0	113.1	H87 C88 L93 E94 L112 I115 H127 F128 L131	H87-L90 HydrophobicContact CB-CD1 4.17Å; H87-L90 WeakPolarHBondContact O-CB 3.34Å; H87-L90 WeakPolarHBondContact O-CG 3.46Å; H87-L90 PolarHBondContact O-N 3.03Å; C88-L90 VanDerWaalsContact C-N 3.34Å; L90-L93 PolarHBondContact O-N 2.94Å; L90-E94 VanDerWaalsContact O-CB 3.26Å; L90-E94 WeakPolarHBondContact O-CB 3.32Å; L90-E94 PolarHBondContact O-N 2.94Å; L90-L112 HydrophobicContact CD2-CD2 3.88Å; L90-I115 HydrophobicContact CD2-CD1 3.86Å; L90-H127 HydrophobicContact CD1-CB 3.79Å; L90-F128 HydrophobicContact CD2-CD2 3.86Å; L90-F128 HydrophobicContact CD2-CE2 4.29Å; L90-L131 HydrophobicContact CB-CD1 3.72Å; L90-L131 HydrophobicContact CD2-CD1 4.09Å; L90-L131 HydrophobicContact CG-CD1 4.33Å
91	P	96.9	Very high	95.9	Very high	65 Å²	65	42.2 Å²	42.2	42%	0.422	23%	0.228	S	C	.	.	H	α-helix	trans	-57.6	-49.2	-178.3	-24.1	34.6	0	0	0	115.5	T56 C88 L93 E94 S95	T56-P91 HydrophobicContact CG2-CB 4.48Å; C88-P91 WeakPolarHBondContact O-CD 3.47Å; P91-L93 PolarHBondContact O-N 3.48Å; P91-E94 PolarHBondContact O-N 3.3Å; P91-S95 PolarHBondContact O-N 3.33Å; P91-S95 VanDerWaalsContact O-N 3.11Å
92	P	96.1	Very high	95.9	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.006	23%	0.232	C	C	.	.	H	α-helix	trans	-66.5	-38.4	178.3	22.7	-31.2	0	0	0	112.1	T56 I59 L73 L89 S95 L96	T56-P92 WeakPolarHBondContact OG1-CB 3.48Å; T56-P92 WeakPolarHBondContact OG1-CD 3.41Å; I59-P92 HydrophobicContact CD1-CB 4.16Å; I59-P92 WeakPolarHBondContact CD1-O 3.29Å; L73-P92 HydrophobicContact CD1-CB 3.77Å; L73-P92 HydrophobicContact CD1-CG 4.03Å; L89-P92 WeakPolarHBondContact O-CD 3.27Å; L89-P92 WeakPolarHBondContact O-CG 3.46Å; P92-S95 PolarHBondContact O-N 2.93Å; P92-L96 WeakPolarHBondContact O-CG 3.26Å; P92-L96 PolarHBondContact O-N 3.49Å
93	L	97.8	Very high	96	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-68.9	-33.6	177.1	-76	172.5	0	0	0	112.8	L73 L89 L90 P91 L96 A97 L112 I115	L73-L93 HydrophobicContact CB-CD1 4.36Å; L73-L93 HydrophobicContact CB-CD2 3.86Å; L73-L93 HydrophobicContact CB-CG 4.04Å; L73-L93 HydrophobicContact CD1-CD2 4.16Å; L73-L93 HydrophobicContact CD1-CG 4.21Å; L89-L93 HydrophobicContact CB-CD1 4.41Å; L89-L93 WeakPolarHBondContact O-CB 3.23Å; L89-L93 WeakPolarHBondContact O-CG 3.41Å; L89-L93 PolarHBondContact O-N 3.45Å; L90-L93 PolarHBondContact O-N 2.94Å; P91-L93 PolarHBondContact O-N 3.48Å; L93-L96 HydrophobicContact CD2-CD1 4.48Å; L93-L96 PolarHBondContact O-N 3.22Å; L93-A97 VanDerWaalsContact O-CB 3.3Å; L93-A97 WeakPolarHBondContact O-CB 3.27Å; L93-A97 PolarHBondContact O-N 3.21Å; L93-L112 HydrophobicContact CB-CD1 4.42Å; L93-L112 HydrophobicContact CB-CD2 3.64Å; L93-L112 HydrophobicContact CB-CG 3.86Å; L93-L112 HydrophobicContact CD1-CD2 3.98Å; L93-L112 HydrophobicContact CD1-CG 4.23Å; L93-L112 HydrophobicContact CG-CD2 4.45Å; L93-I115 HydrophobicContact CD1-CD1 3.51Å; L93-I115 HydrophobicContact CD1-CG1 4.38Å
94	E	97.1	Very high	96.1	Very high	34 Å²	34	44.7 Å²	44.7	16%	0.159	24%	0.235	C	C	.	.	H	α-helix	trans	-62.7	-48	173.9	-172.3	173.8	174.3	0	0	110.3	L90 P91 A97 T98 L131 R134 L135	L90-E94 VanDerWaalsContact O-CB 3.26Å; L90-E94 WeakPolarHBondContact O-CB 3.32Å; L90-E94 PolarHBondContact O-N 2.94Å; P91-E94 PolarHBondContact O-N 3.3Å; E94-A97 WeakPolarHBondContact O-CB 3.44Å; E94-A97 PolarHBondContact O-N 3.3Å; E94-A97 VanDerWaalsContact O-N 3.12Å; E94-T98 WeakPolarHBondContact O-CG2 3.34Å; E94-T98 PolarHBondContact O-N 3.43Å; E94-L131 HydrophobicContact CB-CD1 3.75Å; E94-L131 HydrophobicContact CB-CG 4.3Å; E94-L131 HydrophobicContact CG-CD1 4.1Å; E94-L131 HydrophobicContact CG-CG 4.08Å; E94-R134 IonicContact OE1-CZ 3.8Å; E94-R134 IonicContact OE1-NE 3.73Å; E94-R134 PolarHBondContact OE1-NE 3.04Å; E94-R134 IonicContact OE1-NH2 2.69Å; E94-R134 PolarHBondContact OE1-NH2 3.46Å; E94-R134 IonicContact OE2-CZ 3.81Å; E94-R134 IonicContact OE2-NE 3.25Å; E94-R134 PolarHBondContact OE2-NE 3.1Å; E94-R134 IonicContact OE2-NH2 3.39Å; E94-R134 PolarHBondContact OE2-NH2 3.17Å; E94-L135 HydrophobicContact CG-CD2 3.98Å; E94-L135 HydrophobicContact CG-CG 4.31Å
95	S	95.6	Very high	96.2	Very high	35 Å²	35	38.5 Å²	38.5	25%	0.245	21%	0.205	C	C	.	.	H	α-helix	trans	-61.4	-46	176.8	175.3	0	0	0	0	111.7	I59 P91 P92 A97 T98	I59-S95 VanDerWaalsContact CD1-CB 3.43Å; I59-S95 WeakPolarHBondContact CD1-OG 3.28Å; P91-S95 PolarHBondContact O-N 3.33Å; P91-S95 VanDerWaalsContact O-N 3.11Å; P92-S95 PolarHBondContact O-N 2.93Å; S95-A97 PolarHBondContact O-N 3.5Å; S95-T98 PolarHBondContact O-N 3.13Å; S95-T98 PolarHBondContact O-OG1 3.09Å
96	L	96.4	Very high	96.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-60.7	-30.9	173.9	-70.8	163.3	0	0	0	112.9	I59 L66 L69 A70 L73 P92 L93 T98 V99 V104 A108	I59-L96 HydrophobicContact CD1-CG 4.19Å; I59-L96 HydrophobicContact CG2-CD2 3.69Å; I59-L96 HydrophobicContact CG2-CG 4.06Å; L66-L96 HydrophobicContact CB-CD2 4.01Å; L66-L96 HydrophobicContact CD2-CD2 4.01Å; L69-L96 HydrophobicContact CD2-CD1 4.28Å; L69-L96 HydrophobicContact CG-CD1 4.1Å; A70-L96 HydrophobicContact CB-CD1 4.03Å; L73-L96 HydrophobicContact CD1-CD1 3.84Å; P92-L96 WeakPolarHBondContact O-CG 3.26Å; P92-L96 PolarHBondContact O-N 3.49Å; L93-L96 HydrophobicContact CD2-CD1 4.48Å; L93-L96 PolarHBondContact O-N 3.22Å; L96-T98 PolarHBondContact O-N 3.33Å; L96-V99 VanDerWaalsContact O-CG2 3.3Å; L96-V99 WeakPolarHBondContact O-CG2 3.19Å; L96-V104 HydrophobicContact CD2-CG1 4.04Å; L96-A108 HydrophobicContact CB-CB 3.76Å
97	A	96.9	Very high	96.3	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-5.6	175.4	0	0	0	0	0	113.5	L93 E94 S95 R105 A108 L112 L135 S146	L93-A97 VanDerWaalsContact O-CB 3.3Å; L93-A97 WeakPolarHBondContact O-CB 3.27Å; L93-A97 PolarHBondContact O-N 3.21Å; E94-A97 WeakPolarHBondContact O-CB 3.44Å; E94-A97 PolarHBondContact O-N 3.3Å; E94-A97 VanDerWaalsContact O-N 3.12Å; S95-A97 PolarHBondContact O-N 3.5Å; A97-R105 VanDerWaalsContact O-CD 3.28Å; A97-R105 WeakPolarHBondContact O-CD 3.45Å; A97-A108 HydrophobicContact CB-CB 4.13Å; A97-L112 HydrophobicContact CB-CD1 4.25Å; A97-L135 HydrophobicContact CB-CD1 4.43Å; A97-S146 WeakPolarHBondContact O-CB 3.39Å; A97-S146 PolarHBondContact O-OG 3.4Å
98	T	95.4	Very high	96.4	Very high	59 Å²	59	38.6 Å²	38.6	36%	0.362	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-8.1	178.7	64	0	0	0	0	114.9	E94 S95 L96 L135 T142	E94-T98 WeakPolarHBondContact O-CG2 3.34Å; E94-T98 PolarHBondContact O-N 3.43Å; S95-T98 PolarHBondContact O-N 3.13Å; S95-T98 PolarHBondContact O-OG1 3.09Å; L96-T98 PolarHBondContact O-N 3.33Å; T98-L135 HydrophobicContact CG2-CD2 3.67Å; T98-T142 PolarHBondContact O-OG1 3.42Å
99	V	94.6	Very high	96.5	Very high	25 Å²	25	37.8 Å²	37.8	15%	0.152	21%	0.205	C	C	.	.	S	Bend	trans	-64	161.1	-176.9	-53.8	0	0	0	0	113	I59 L96 V104 R105	I59-V99 HydrophobicContact CG2-CG1 4.27Å; L96-V99 VanDerWaalsContact O-CG2 3.3Å; L96-V99 WeakPolarHBondContact O-CG2 3.19Å; V99-V104 HydrophobicContact CG2-CB 3.74Å; V99-V104 HydrophobicContact CG2-CG1 3.68Å; V99-R105 HydrophobicContact CG2-CG 3.95Å; V99-R105 WeakPolarHBondContact O-CD 3.21Å; V99-R105 VanDerWaalsContact O-CG 3.32Å; V99-R105 WeakPolarHBondContact O-CG 3.26Å; V99-R105 PolarHBondContact O-NH1 3.24Å
100	E	91.8	Very high	96.5	Very high	182 Å²	182	43 Å²	43	85%	0.85	23%	0.23	S	C	*	.	S	Bend	trans	-70.9	-33	-177.4	-65.4	-170.1	171.9	0	0	113.5	T102 R105	E100-T102 PolarHBondContact O-N 3.1Å; E100-R105 PolarHBondContact O-NH1 3.21Å
101	E	95	Very high	96.6	Very high	66 Å²	66	43 Å²	43	31%	0.308	23%	0.23	S	C	.	.			trans	-73.9	125.1	-179.1	-177.4	43.3	-120.2	0	0	111.7	D63 V103 V104 R105	D63-E101 HydrophobicContact CB-CG 4.12Å; D63-E101 WeakPolarHBondContact OD1-CB 3.29Å; E101-V103 WeakPolarHBondContact OE1-CG2 3.25Å; E101-V103 PolarHBondContact OE1-N 3.11Å; E101-V104 HydrophobicContact CB-CB 4.46Å; E101-V104 HydrophobicContact CB-CG2 4.09Å; E101-V104 HydrophobicContact CG-CG2 3.98Å; E101-V104 PolarHBondContact O-N 3.14Å; E101-R105 PolarHBondContact O-N 3.36Å; E101-R105 PolarHBondContact O-NH1 3.48Å
102	T	95.1	Very high	96.7	Very high	66 Å²	66	39.9 Å²	39.9	41%	0.405	21%	0.21	S	C	.	.	H	α-helix	trans	-70	-39	-173.1	-56.8	0	0	0	0	111.8	E100 V104 R105 D106	E100-T102 PolarHBondContact O-N 3.1Å; T102-V104 VanDerWaalsContact C-N 3.28Å; T102-V104 PolarHBondContact O-N 3.19Å; T102-R105 PolarHBondContact O-N 3.21Å; T102-R105 PolarHBondContact OG1-NH2 3.35Å; T102-D106 PolarHBondContact O-N 3.22Å
103	V	96.8	Very high	96.8	Very high	84 Å²	84	42.9 Å²	42.9	51%	0.509	22%	0.221	S	C	.	.	H	α-helix	trans	-63.8	-36.9	-178.4	-177.1	0	0	0	0	111.2	L67 E101 K107	L67-V103 HydrophobicContact CD1-CG1 3.89Å; L67-V103 HydrophobicContact CD2-CG1 4.08Å; E101-V103 WeakPolarHBondContact OE1-CG2 3.25Å; E101-V103 PolarHBondContact OE1-N 3.11Å; V103-K107 PolarHBondContact O-N 2.88Å; V103-K107 VanDerWaalsContact O-N 3.15Å
104	V	96.9	Very high	96.8	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.006	25%	0.245	C	C	.	.	H	α-helix	trans	-67.5	-46.6	175.6	-179.8	0	0	0	0	110.8	D63 L66 L67 L96 V99 E101 T102 D106 K107 A108	D63-V104 HydrophobicContact CB-CG2 4.44Å; L66-V104 HydrophobicContact CB-CG1 3.77Å; L66-V104 HydrophobicContact CB-CG2 4.02Å; L67-V104 HydrophobicContact CB-CG2 4.24Å; L96-V104 HydrophobicContact CD2-CG1 4.04Å; V99-V104 HydrophobicContact CG2-CB 3.74Å; V99-V104 HydrophobicContact CG2-CG1 3.68Å; E101-V104 HydrophobicContact CB-CB 4.46Å; E101-V104 HydrophobicContact CB-CG2 4.09Å; E101-V104 HydrophobicContact CG-CG2 3.98Å; E101-V104 PolarHBondContact O-N 3.14Å; T102-V104 VanDerWaalsContact C-N 3.28Å; T102-V104 PolarHBondContact O-N 3.19Å; V104-D106 VanDerWaalsContact C-N 3.33Å; V104-D106 PolarHBondContact O-N 3.35Å; V104-K107 PolarHBondContact O-N 3.4Å; V104-A108 WeakPolarHBondContact O-CB 3.33Å; V104-A108 PolarHBondContact O-N 3.44Å
105	R	96.8	Very high	96.8	Very high	10 Å²	10	46.7 Å²	46.7	4%	0.038	24%	0.237	C	C	.	.	H	α-helix	trans	-58.9	-44.5	176.8	-69.4	-164.2	-54.3	-78.7	-6	112.1	A97 V99 E100 E101 T102 K107 A108 V109 S146	A97-R105 VanDerWaalsContact O-CD 3.28Å; A97-R105 WeakPolarHBondContact O-CD 3.45Å; V99-R105 HydrophobicContact CG2-CG 3.95Å; V99-R105 WeakPolarHBondContact O-CD 3.21Å; V99-R105 VanDerWaalsContact O-CG 3.32Å; V99-R105 WeakPolarHBondContact O-CG 3.26Å; V99-R105 PolarHBondContact O-NH1 3.24Å; E100-R105 PolarHBondContact O-NH1 3.21Å; E101-R105 PolarHBondContact O-N 3.36Å; E101-R105 PolarHBondContact O-NH1 3.48Å; T102-R105 PolarHBondContact O-N 3.21Å; T102-R105 PolarHBondContact OG1-NH2 3.35Å; R105-K107 VanDerWaalsContact C-N 3.31Å; R105-K107 PolarHBondContact O-N 3.46Å; R105-A108 PolarHBondContact O-N 3.47Å; R105-V109 WeakPolarHBondContact O-CG2 3.27Å; R105-V109 PolarHBondContact O-N 3.46Å; R105-S146 WeakPolarHBondContact CD-OG 3.39Å
106	D	97.4	Very high	96.9	Very high	102 Å²	102	45 Å²	45	55%	0.545	23%	0.226	S	C	.	.	H	α-helix	trans	-61.4	-41.8	179.8	-73.2	-16.9	0	0	0	111.1	T102 V104 V109 E110	T102-D106 PolarHBondContact O-N 3.22Å; V104-D106 VanDerWaalsContact C-N 3.33Å; V104-D106 PolarHBondContact O-N 3.35Å; D106-V109 PolarHBondContact O-N 3.23Å; D106-E110 WeakPolarHBondContact O-CB 3.46Å; D106-E110 PolarHBondContact O-N 3.05Å
107	K	98.2	Very high	96.9	Very high	40 Å²	40	50 Å²	50	17%	0.174	25%	0.249	C	C	.	.	H	α-helix	trans	-68.8	-35.7	175.3	-178	61.4	76.2	-176.6	0	112.8	L67 A70 E71 V103 V104 R105 E110 S111	L67-K107 HydrophobicContact CD1-CB 3.52Å; L67-K107 HydrophobicContact CD1-CG 3.86Å; A70-K107 HydrophobicContact CB-CB 4.16Å; A70-K107 HydrophobicContact CB-CG 3.74Å; E71-K107 HydrophobicContact CB-CD 3.83Å; E71-K107 HydrophobicContact CB-CG 4.06Å; E71-K107 HydrophobicContact CG-CD 4.34Å; E71-K107 IonicContact OE1-NZ 2.77Å; V103-K107 PolarHBondContact O-N 2.88Å; V103-K107 VanDerWaalsContact O-N 3.15Å; V104-K107 PolarHBondContact O-N 3.4Å; R105-K107 VanDerWaalsContact C-N 3.31Å; R105-K107 PolarHBondContact O-N 3.46Å; K107-E110 WeakPolarHBondContact CD-OE2 3.4Å; K107-E110 WeakPolarHBondContact CE-OE2 3.39Å; K107-E110 IonicContact NZ-OE1 3.33Å; K107-E110 IonicContact NZ-OE2 3.08Å; K107-E110 PolarHBondContact NZ-OE2 2.92Å; K107-E110 PolarHBondContact O-N 3.09Å; K107-S111 WeakPolarHBondContact O-CB 3.5Å; K107-S111 PolarHBondContact O-N 2.81Å; K107-S111 PolarHBondContact O-OG 2.76Å
108	A	98.1	Very high	96.8	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-64.7	-44.6	174.1	0	0	0	0	0	111.1	A70 L96 A97 V104 R105 S111 L112	A70-A108 HydrophobicContact CB-CB 4.31Å; L96-A108 HydrophobicContact CB-CB 3.76Å; A97-A108 HydrophobicContact CB-CB 4.13Å; V104-A108 WeakPolarHBondContact O-CB 3.33Å; V104-A108 PolarHBondContact O-N 3.44Å; R105-A108 PolarHBondContact O-N 3.47Å; A108-S111 PolarHBondContact O-N 3.19Å; A108-L112 WeakPolarHBondContact O-CB 3.45Å; A108-L112 WeakPolarHBondContact O-CG 3.43Å; A108-L112 PolarHBondContact O-N 3.45Å
109	V	98.4	Very high	96.9	Very high	15 Å²	15	51.4 Å²	51.4	9%	0.091	25%	0.251	C	S	.	.	H	α-helix	trans	-63	-42.3	174.2	171.3	0	0	0	0	111.2	R105 D106 S111 L112 R113 L150	R105-V109 WeakPolarHBondContact O-CG2 3.27Å; R105-V109 PolarHBondContact O-N 3.46Å; D106-V109 PolarHBondContact O-N 3.23Å; V109-S111 VanDerWaalsContact C-N 3.29Å; V109-S111 PolarHBondContact O-N 3Å; V109-L112 PolarHBondContact O-N 3.35Å; V109-R113 HydrophobicContact CG1-CG 4.38Å; V109-R113 WeakPolarHBondContact O-CB 3.34Å; V109-R113 WeakPolarHBondContact O-CG 3.45Å; V109-R113 PolarHBondContact O-N 2.91Å; V109-L150 HydrophobicContact CG1-CD2 3.91Å; V109-L150 HydrophobicContact CG1-CG 4.47Å
110	E	98.4	Very high	97	Very high	111 Å²	111	52.3 Å²	52.3	52%	0.519	26%	0.259	S	S	.	.	H	α-helix	trans	-56.2	-45.6	173.3	-172.4	-170.9	171.9	0	0	111.4	D106 K107 R113 K114	D106-E110 WeakPolarHBondContact O-CB 3.46Å; D106-E110 PolarHBondContact O-N 3.05Å; K107-E110 WeakPolarHBondContact CD-OE2 3.4Å; K107-E110 WeakPolarHBondContact CE-OE2 3.39Å; K107-E110 IonicContact NZ-OE1 3.33Å; K107-E110 IonicContact NZ-OE2 3.08Å; K107-E110 PolarHBondContact NZ-OE2 2.92Å; K107-E110 PolarHBondContact O-N 3.09Å; E110-R113 WeakPolarHBondContact O-CB 3.44Å; E110-R113 PolarHBondContact O-N 3.27Å; E110-K114 PolarHBondContact O-N 3.14Å
111	S	98.5	Very high	97.2	Very high	6 Å²	6	46.8 Å²	46.8	4%	0.042	24%	0.239	C	C	.	.	H	α-helix	trans	-68.2	-42.7	179.4	-62.4	0	0	0	0	112.3	A70 K107 A108 V109 R113 K114 I115	A70-S111 WeakPolarHBondContact O-CB 3.17Å; A70-S111 PolarHBondContact O-OG 3.29Å; K107-S111 WeakPolarHBondContact O-CB 3.5Å; K107-S111 PolarHBondContact O-N 2.81Å; K107-S111 PolarHBondContact O-OG 2.76Å; A108-S111 PolarHBondContact O-N 3.19Å; V109-S111 VanDerWaalsContact C-N 3.29Å; V109-S111 PolarHBondContact O-N 3Å; S111-R113 VanDerWaalsContact C-N 3.32Å; S111-R113 PolarHBondContact O-N 3.49Å; S111-K114 WeakPolarHBondContact O-CB 3.43Å; S111-K114 PolarHBondContact O-N 3.4Å; S111-I115 WeakPolarHBondContact O-CG1 3.25Å; S111-I115 PolarHBondContact O-N 3.14Å
112	L	98.6	Very high	97.3	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-57.9	-44.3	172.4	-76.6	167.9	0	0	0	111.5	L90 L93 A97 A108 V109 K114 I115 S116 F128 L131 L150	L90-L112 HydrophobicContact CD2-CD2 3.88Å; L93-L112 HydrophobicContact CB-CD1 4.42Å; L93-L112 HydrophobicContact CB-CD2 3.64Å; L93-L112 HydrophobicContact CB-CG 3.86Å; L93-L112 HydrophobicContact CD1-CD2 3.98Å; L93-L112 HydrophobicContact CD1-CG 4.23Å; L93-L112 HydrophobicContact CG-CD2 4.45Å; A97-L112 HydrophobicContact CB-CD1 4.25Å; A108-L112 WeakPolarHBondContact O-CB 3.45Å; A108-L112 WeakPolarHBondContact O-CG 3.43Å; A108-L112 PolarHBondContact O-N 3.45Å; V109-L112 PolarHBondContact O-N 3.35Å; L112-K114 VanDerWaalsContact C-N 3.33Å; L112-K114 PolarHBondContact O-N 3.39Å; L112-I115 HydrophobicContact CD2-CD1 4.39Å; L112-I115 WeakPolarHBondContact O-CG1 3.38Å; L112-I115 PolarHBondContact O-N 3.26Å; L112-S116 WeakPolarHBondContact O-CB 3.42Å; L112-S116 PolarHBondContact O-N 3.36Å; L112-F128 HydrophobicContact CB-CE2 4.49Å; L112-F128 HydrophobicContact CD2-CE2 4.49Å; L112-L131 HydrophobicContact CD1-CD2 4.43Å; L112-L131 HydrophobicContact CD2-CD1 4.11Å; L112-L150 HydrophobicContact CB-CD2 3.68Å; L112-L150 HydrophobicContact CD1-CD1 4.01Å; L112-L150 HydrophobicContact CD1-CD2 4.2Å
113	R	98.4	Very high	97.3	Very high	65 Å²	65	46.8 Å²	46.8	25%	0.245	24%	0.242	C	C	.	.	H	α-helix	trans	-62	-41.8	176.1	-71.3	169.5	65.6	86.9	2.4	111.6	V109 E110 S111 S116 G149 L150 S152 V153 E191	V109-R113 HydrophobicContact CG1-CG 4.38Å; V109-R113 WeakPolarHBondContact O-CB 3.34Å; V109-R113 WeakPolarHBondContact O-CG 3.45Å; V109-R113 PolarHBondContact O-N 2.91Å; E110-R113 WeakPolarHBondContact O-CB 3.44Å; E110-R113 PolarHBondContact O-N 3.27Å; S111-R113 VanDerWaalsContact C-N 3.32Å; S111-R113 PolarHBondContact O-N 3.49Å; R113-S116 PolarHBondContact O-N 2.87Å; R113-S116 PolarHBondContact O-OG 3.17Å; R113-G149 WeakPolarHBondContact CD-O 3.43Å; R113-G149 PolarHBondContact NH1-O 3.49Å; R113-L150 HydrophobicContact CG-CD2 4.06Å; R113-S152 PolarHBondContact NH1-OG 2.94Å; R113-V153 HydrophobicContact CB-CG1 4.08Å; R113-V153 HydrophobicContact CG-CG1 3.94Å; R113-V153 HydrophobicContact CG-CG2 4.19Å; R113-E191 IonicContact CZ-OE1 3.88Å; R113-E191 IonicContact NH1-OE1 2.73Å; R113-E191 PolarHBondContact NH1-OE1 3.09Å; R113-E191 IonicContact NH1-OE2 3.78Å; R113-E191 IonicContact NH2-OE1 3.1Å; R113-E191 PolarHBondContact NH2-OE1 3.2Å; R113-E191 IonicContact NH2-OE2 3.97Å
114	K	97.9	Very high	97.3	Very high	113 Å²	113	42.8 Å²	42.8	49%	0.491	22%	0.218	S	C	.	.	H	α-helix	trans	-62.1	-53.3	176.6	-177.3	172.1	177.3	172.7	0	111.6	G74 N75 E110 S111 L112 S116 Q117	G74-K114 WeakPolarHBondContact O-CD 3.33Å; N75-K114 PolarHBondContact OD1-NZ 2.79Å; E110-K114 PolarHBondContact O-N 3.14Å; S111-K114 WeakPolarHBondContact O-CB 3.43Å; S111-K114 PolarHBondContact O-N 3.4Å; L112-K114 VanDerWaalsContact C-N 3.33Å; L112-K114 PolarHBondContact O-N 3.39Å; K114-S116 VanDerWaalsContact C-N 3.26Å; K114-S116 PolarHBondContact O-N 2.95Å; K114-Q117 PolarHBondContact O-N 2.84Å
115	I	97.6	Very high	97.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-70.4	-21.5	-177.7	68.2	168.8	0	0	0	113	V86 L89 L90 L93 S111 L112 Q117 E118 H119	V86-I115 HydrophobicContact CG2-CB 3.79Å; V86-I115 HydrophobicContact CG2-CD1 4.47Å; V86-I115 HydrophobicContact CG2-CG2 4.41Å; L89-I115 HydrophobicContact CB-CD1 3.93Å; L89-I115 HydrophobicContact CD1-CG2 4.34Å; L90-I115 HydrophobicContact CD2-CD1 3.86Å; L93-I115 HydrophobicContact CD1-CD1 3.51Å; L93-I115 HydrophobicContact CD1-CG1 4.38Å; S111-I115 WeakPolarHBondContact O-CG1 3.25Å; S111-I115 PolarHBondContact O-N 3.14Å; L112-I115 HydrophobicContact CD2-CD1 4.39Å; L112-I115 WeakPolarHBondContact O-CG1 3.38Å; L112-I115 PolarHBondContact O-N 3.26Å; I115-Q117 PolarHBondContact O-N 3.39Å; I115-E118 WeakPolarHBondContact O-CB 3.4Å; I115-E118 PolarHBondContact O-N 3.06Å; I115-H119 PolarHBondContact O-N 2.78Å; I115-H119 PolarHBondContact O-ND1 3.39Å
116	S	97.1	Very high	97.3	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-58.5	-29	173.9	77.3	0	0	0	0	112.7	L112 R113 K114 E118 H119 V153 R157	L112-S116 WeakPolarHBondContact O-CB 3.42Å; L112-S116 PolarHBondContact O-N 3.36Å; R113-S116 PolarHBondContact O-N 2.87Å; R113-S116 PolarHBondContact O-OG 3.17Å; K114-S116 VanDerWaalsContact C-N 3.26Å; K114-S116 PolarHBondContact O-N 2.95Å; S116-E118 VanDerWaalsContact C-N 3.26Å; S116-E118 PolarHBondContact O-N 3.14Å; S116-H119 PolarHBondContact O-N 3.1Å; S116-V153 WeakPolarHBondContact OG-CB 3.47Å; S116-V153 WeakPolarHBondContact OG-CG2 3.24Å; S116-R157 PolarHBondContact O-NH1 3.46Å
117	Q	96.2	Very high	97.3	Very high	104 Å²	104	47.5 Å²	47.5	49%	0.486	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-29	177.1	-59.5	-54.8	-39.6	0	0	112.1	K114 I115 R157	K114-Q117 PolarHBondContact O-N 2.84Å; I115-Q117 PolarHBondContact O-N 3.39Å; Q117-R157 PolarHBondContact O-NH1 3.38Å
118	E	96.4	Very high	97.2	Very high	88 Å²	88	45.6 Å²	45.6	41%	0.411	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-16.8	-179.9	-56.3	-62.8	151.1	0	0	113.1	T77 P83 V86 I115 S116	T77-E118 HydrophobicContact CG2-CB 4Å; T77-E118 HydrophobicContact CG2-CG 3.92Å; P83-E118 WeakPolarHBondContact CB-O 3.42Å; V86-E118 HydrophobicContact CB-CB 4.48Å; V86-E118 HydrophobicContact CG2-CB 4.11Å; I115-E118 WeakPolarHBondContact O-CB 3.4Å; I115-E118 PolarHBondContact O-N 3.06Å; S116-E118 VanDerWaalsContact C-N 3.26Å; S116-E118 PolarHBondContact O-N 3.14Å
119	H	97.2	Very high	97.1	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	24%	0.237	C	C	.	.	S	Bend	trans	-70.6	143.1	176.8	-72.3	68.4	0	0	0	110.4	V86 I115 S116 D123 L124 R157	V86-H119 HydrophobicContact CG1-CB 4.38Å; V86-H119 VanDerWaalsContact CG1-CE1 3.46Å; V86-H119 WeakPolarHBondContact CG1-CE1 3.15Å; V86-H119 WeakPolarHBondContact CG1-ND1 3.44Å; I115-H119 PolarHBondContact O-N 2.78Å; I115-H119 PolarHBondContact O-ND1 3.39Å; S116-H119 PolarHBondContact O-N 3.1Å; H119-D123 HydrophobicContact CB-CB 4.23Å; H119-L124 HydrophobicContact CB-CD2 3.65Å; H119-L124 HydrophobicContact CB-CG 3.73Å; H119-R157 PolarHBondContact O-NH1 3Å; H119-R157 PolarHBondContact O-NH2 3.07Å
120	S	96.7	Very high	97.1	Very high	44 Å²	44	47.3 Å²	47.3	31%	0.308	24%	0.244	S	C	.	.			trans	-69.2	160.7	166.7	78.2	0	0	0	0	110.8	V122 D123 L124	S120-V122 PolarHBondContact O-N 3.08Å; S120-V122 PolarHBondContact OG-N 3.1Å; S120-D123 WeakPolarHBondContact CB-OD2 3.28Å; S120-D123 PolarHBondContact N-OD2 3.13Å; S120-D123 PolarHBondContact O-N 2.94Å; S120-D123 VanDerWaalsContact O-N 3.1Å; S120-D123 PolarHBondContact OG-N 3.13Å; S120-D123 VanDerWaalsContact OG-N 3.13Å; S120-D123 PolarHBondContact OG-OD2 2.92Å; S120-L124 WeakPolarHBondContact O-CG 3.23Å; S120-L124 PolarHBondContact O-N 3.06Å
121	P	96.1	Very high	97.1	Very high	66 Å²	66	42 Å²	42	43%	0.429	22%	0.219	S	C	.	.	H	α-helix	trans	-52.5	-36.9	173.4	-30.3	38.4	0	0	0	113.7	E125 R157	P121-E125 PolarHBondContact O-N 3.2Å; P121-R157 WeakPolarHBondContact CB-O 3.49Å
122	V	95.8	Very high	97	Very high	98 Å²	98	41.9 Å²	41.9	59%	0.594	22%	0.218	S	C	*	.	H	α-helix	trans	-69.2	-45.4	177.4	-179.6	0	0	0	0	110.5	S120 L124 E125 V126	S120-V122 PolarHBondContact O-N 3.08Å; S120-V122 PolarHBondContact OG-N 3.1Å; V122-L124 VanDerWaalsContact C-N 3.28Å; V122-L124 PolarHBondContact O-N 2.78Å; V122-E125 PolarHBondContact O-N 2.89Å; V122-E125 VanDerWaalsContact O-N 3.14Å; V122-V126 HydrophobicContact CG1-CG2 4.12Å; V122-V126 WeakPolarHBondContact O-CB 3.36Å; V122-V126 VanDerWaalsContact O-CG2 3.3Å; V122-V126 WeakPolarHBondContact O-CG2 3.46Å; V122-V126 PolarHBondContact O-N 3.35Å
123	D	95.8	Very high	96.9	Very high	35 Å²	35	45.7 Å²	45.7	19%	0.187	24%	0.235	C	C	.	.	H	α-helix	trans	-67.8	-29.4	179.2	-58.7	-43.5	0	0	0	112.4	H119 S120 E125 H127 F128	H119-D123 HydrophobicContact CB-CB 4.23Å; S120-D123 WeakPolarHBondContact CB-OD2 3.28Å; S120-D123 PolarHBondContact N-OD2 3.13Å; S120-D123 PolarHBondContact O-N 2.94Å; S120-D123 VanDerWaalsContact O-N 3.1Å; S120-D123 PolarHBondContact OG-N 3.13Å; S120-D123 VanDerWaalsContact OG-N 3.13Å; S120-D123 PolarHBondContact OG-OD2 2.92Å; D123-E125 VanDerWaalsContact C-N 3.35Å; D123-H127 WeakPolarHBondContact O-CA 3.25Å; D123-H127 WeakPolarHBondContact O-CB 3.35Å; D123-H127 PolarHBondContact O-N 3.32Å; D123-H127 IonicContact OD1-CD2 3Å; D123-F128 PolarHBondContact O-N 3.18Å
124	L	96.4	Very high	96.9	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.244	C	C	.	.	I	π-helix	trans	-61.3	-44.2	171.2	-76.6	177.2	0	0	0	111.2	H119 S120 V122 F128 E129 C154 R157 V158	H119-L124 HydrophobicContact CB-CD2 3.65Å; H119-L124 HydrophobicContact CB-CG 3.73Å; S120-L124 WeakPolarHBondContact O-CG 3.23Å; S120-L124 PolarHBondContact O-N 3.06Å; V122-L124 VanDerWaalsContact C-N 3.28Å; V122-L124 PolarHBondContact O-N 2.78Å; L124-F128 HydrophobicContact CD2-CB 3.7Å; L124-F128 HydrophobicContact CD2-CD1 4.13Å; L124-F128 HydrophobicContact CD2-CD2 4.42Å; L124-F128 HydrophobicContact CD2-CG 3.84Å; L124-F128 CarbonylContact O-C 3.55Å; L124-F128 WeakPolarHBondContact O-CB 3.47Å; L124-F128 PolarHBondContact O-N 3.14Å; L124-E129 PolarHBondContact O-N 3.07Å; L124-C154 HydrophobicContact CD2-CB 4.37Å; L124-R157 HydrophobicContact CD1-CB 3.69Å; L124-R157 HydrophobicContact CD1-CG 4.5Å; L124-V158 HydrophobicContact CB-CG1 4.02Å
125	E	96.6	Very high	96.9	Very high	64 Å²	64	43 Å²	43	30%	0.299	22%	0.222	S	C	.	.	I	π-helix	trans	-73.8	-37	178.4	-67.2	-172.7	-149.8	0	0	112.6	P121 V122 D123 P130 V158 S159 V162	P121-E125 PolarHBondContact O-N 3.2Å; V122-E125 PolarHBondContact O-N 2.89Å; V122-E125 VanDerWaalsContact O-N 3.14Å; D123-E125 VanDerWaalsContact C-N 3.35Å; E125-P130 WeakPolarHBondContact O-CD 3.49Å; E125-V158 HydrophobicContact CG-CB 3.85Å; E125-V158 HydrophobicContact CG-CG1 3.72Å; E125-V158 WeakPolarHBondContact OE1-CA 3.28Å; E125-S159 VanDerWaalsContact OE1-CB 3.28Å; E125-S159 WeakPolarHBondContact OE1-CB 3.4Å; E125-S159 PolarHBondContact OE1-N 2.92Å; E125-S159 PolarHBondContact OE1-OG 3.47Å; E125-S159 PolarHBondContact OE2-OG 2.88Å; E125-S159 VanDerWaalsContact OE2-OG 3.07Å; E125-V162 HydrophobicContact CG-CG2 4.11Å
126	V	96.7	Very high	96.9	Very high	84 Å²	84	43.5 Å²	43.5	51%	0.509	23%	0.226	S	C	.	.	I	π-helix	trans	-82.1	-32.2	-174.7	175.8	0	0	0	0	112.7	V122 P130	V122-V126 HydrophobicContact CG1-CG2 4.12Å; V122-V126 WeakPolarHBondContact O-CB 3.36Å; V122-V126 VanDerWaalsContact O-CG2 3.3Å; V122-V126 WeakPolarHBondContact O-CG2 3.46Å; V122-V126 PolarHBondContact O-N 3.35Å; V126-P130 WeakPolarHBondContact O-CG 3.27Å
127	H	97.4	Very high	96.8	Very high	63 Å²	63	47.7 Å²	47.7	29%	0.292	26%	0.255	S	S	.	.	I	π-helix	trans	-121.9	-49.8	-171.9	-60.3	-65.9	0	0	0	113.5	H87 L90 D123 L131	H87-H127 HydrophobicContact CB-CB 3.89Å; H87-H127 AromaticContact CG-CD2 3.94Å; L90-H127 HydrophobicContact CD1-CB 3.79Å; D123-H127 WeakPolarHBondContact O-CA 3.25Å; D123-H127 WeakPolarHBondContact O-CB 3.35Å; D123-H127 PolarHBondContact O-N 3.32Å; D123-H127 IonicContact OD1-CD2 3Å; H127-L131 PolarHBondContact O-N 3.46Å
128	F	97.4	Very high	96.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.241	C	C	.	.	I	π-helix	trans	-74.4	-45.8	-172.6	-165	-88.2	0	0	0	112.6	L90 L112 D123 L124 L131 V132 L150 V153 C154	L90-F128 HydrophobicContact CD2-CD2 3.86Å; L90-F128 HydrophobicContact CD2-CE2 4.29Å; L112-F128 HydrophobicContact CB-CE2 4.49Å; L112-F128 HydrophobicContact CD2-CE2 4.49Å; D123-F128 PolarHBondContact O-N 3.18Å; L124-F128 HydrophobicContact CD2-CB 3.7Å; L124-F128 HydrophobicContact CD2-CD1 4.13Å; L124-F128 HydrophobicContact CD2-CD2 4.42Å; L124-F128 HydrophobicContact CD2-CG 3.84Å; L124-F128 CarbonylContact O-C 3.55Å; L124-F128 WeakPolarHBondContact O-CB 3.47Å; L124-F128 PolarHBondContact O-N 3.14Å; F128-L131 WeakPolarHBondContact O-CB 3.19Å; F128-L131 PolarHBondContact O-N 3.29Å; F128-L131 VanDerWaalsContact O-N 3.16Å; F128-V132 HydrophobicContact CD1-CG2 3.86Å; F128-V132 HydrophobicContact CE1-CG2 3.66Å; F128-V132 WeakPolarHBondContact O-CG2 3.47Å; F128-V132 PolarHBondContact O-N 3.02Å; F128-L150 HydrophobicContact CE1-CB 4.42Å; F128-L150 HydrophobicContact CZ-CD2 4.28Å; F128-V153 HydrophobicContact CE1-CG2 4.23Å; F128-V153 HydrophobicContact CZ-CG2 4.19Å; F128-C154 HydrophobicContact CD1-CB 3.81Å; F128-C154 HydrophobicContact CE1-CB 3.99Å
129	E	96.1	Very high	96.5	Very high	14 Å²	14	46.8 Å²	46.8	7%	0.065	26%	0.261	C	S	.	.	H	α-helix	trans	-61.1	-44.2	178	-172.5	-78.7	161.3	0	0	112.2	L124 L131 V132 K133 V162 H169	L124-E129 PolarHBondContact O-N 3.07Å; E129-L131 PolarHBondContact O-N 3.17Å; E129-V132 PolarHBondContact O-N 3.33Å; E129-K133 WeakPolarHBondContact O-CB 3.19Å; E129-K133 PolarHBondContact O-N 3.18Å; E129-V162 HydrophobicContact CB-CG1 4.34Å; E129-V162 HydrophobicContact CG-CG1 3.72Å; E129-H169 IonicContact OE1-CE1 2.79Å
130	P	97.7	Very high	96.4	Very high	37 Å²	37	55.8 Å²	55.8	24%	0.24	30%	0.295	C	S	.	.	H	α-helix	trans	-58.8	-33.3	174.4	-31.5	38.6	0	0	0	113.8	E125 V126 R134	E125-P130 WeakPolarHBondContact O-CD 3.49Å; V126-P130 WeakPolarHBondContact O-CG 3.27Å; P130-R134 WeakPolarHBondContact O-CG 3.1Å; P130-R134 PolarHBondContact O-N 3.36Å; P130-R134 PolarHBondContact O-NH1 2.91Å
131	L	98.1	Very high	96.3	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-65	-48.4	171.8	172	155.9	0	0	0	111	L90 E94 L112 H127 F128 E129 K133 R134 L135 L150	L90-L131 HydrophobicContact CB-CD1 3.72Å; L90-L131 HydrophobicContact CD2-CD1 4.09Å; L90-L131 HydrophobicContact CG-CD1 4.33Å; E94-L131 HydrophobicContact CB-CD1 3.75Å; E94-L131 HydrophobicContact CB-CG 4.3Å; E94-L131 HydrophobicContact CG-CD1 4.1Å; E94-L131 HydrophobicContact CG-CG 4.08Å; L112-L131 HydrophobicContact CD1-CD2 4.43Å; L112-L131 HydrophobicContact CD2-CD1 4.11Å; H127-L131 PolarHBondContact O-N 3.46Å; F128-L131 WeakPolarHBondContact O-CB 3.19Å; F128-L131 PolarHBondContact O-N 3.29Å; F128-L131 VanDerWaalsContact O-N 3.16Å; E129-L131 PolarHBondContact O-N 3.17Å; L131-K133 PolarHBondContact O-N 3.35Å; L131-R134 PolarHBondContact O-N 3.42Å; L131-L135 HydrophobicContact CD2-CD1 3.6Å; L131-L135 HydrophobicContact CD2-CG 4.32Å; L131-L135 HydrophobicContact CG-CD1 4.33Å; L131-L135 WeakPolarHBondContact O-CG 3.45Å; L131-L135 PolarHBondContact O-N 3.3Å; L131-L150 HydrophobicContact CD2-CD1 3.88Å
132	V	97.6	Very high	96.3	Very high	3 Å²	3	54 Å²	54	2%	0.018	28%	0.276	C	S	.	.	H	α-helix	trans	-59.5	-40.5	178.5	178.5	0	0	0	0	110.4	F128 E129 L135 A136 L150 F151	F128-V132 HydrophobicContact CD1-CG2 3.86Å; F128-V132 HydrophobicContact CE1-CG2 3.66Å; F128-V132 WeakPolarHBondContact O-CG2 3.47Å; F128-V132 PolarHBondContact O-N 3.02Å; E129-V132 PolarHBondContact O-N 3.33Å; V132-L135 PolarHBondContact O-N 2.81Å; V132-A136 VanDerWaalsContact O-CB 3.24Å; V132-A136 WeakPolarHBondContact O-CB 3.49Å; V132-A136 PolarHBondContact O-N 2.99Å; V132-L150 HydrophobicContact CG1-CB 4.39Å; V132-L150 HydrophobicContact CG2-CB 3.72Å; V132-L150 HydrophobicContact CG2-CD1 4.08Å; V132-F151 HydrophobicContact CG1-CD1 3.83Å; V132-F151 HydrophobicContact CG1-CE1 3.54Å; V132-F151 HydrophobicContact CG1-CE2 4.44Å; V132-F151 HydrophobicContact CG1-CG 4.47Å; V132-F151 HydrophobicContact CG1-CZ 3.88Å
133	K	96.7	Very high	96.3	Very high	80 Å²	80	49.8 Å²	49.8	35%	0.348	25%	0.25	S	S	.	.	H	α-helix	trans	-62.1	-47.8	176.1	-170.4	168.6	-166	158.7	0	112.2	E129 L131 L135 A136 S137 E165	E129-K133 WeakPolarHBondContact O-CB 3.19Å; E129-K133 PolarHBondContact O-N 3.18Å; L131-K133 PolarHBondContact O-N 3.35Å; K133-L135 PolarHBondContact O-N 3.33Å; K133-A136 PolarHBondContact O-N 3.47Å; K133-S137 PolarHBondContact O-N 3.17Å; K133-S137 PolarHBondContact O-OG 3.41Å; K133-S137 VanDerWaalsContact O-OG 3.05Å; K133-E165 IonicContact NZ-OE2 3.84Å; K133-E165 PolarHBondContact NZ-OE2 2.9Å
134	R	97.8	Very high	96.4	Very high	119 Å²	119	49.7 Å²	49.7	45%	0.449	25%	0.247	S	C	.	.	H	α-helix	trans	-59.5	-44.2	176.2	-76.3	-170.8	-55.6	-86.8	7.6	112.2	E94 P130 L131 G138	E94-R134 IonicContact OE1-CZ 3.8Å; E94-R134 IonicContact OE1-NE 3.73Å; E94-R134 PolarHBondContact OE1-NE 3.04Å; E94-R134 IonicContact OE1-NH2 2.69Å; E94-R134 PolarHBondContact OE1-NH2 3.46Å; E94-R134 IonicContact OE2-CZ 3.81Å; E94-R134 IonicContact OE2-NE 3.25Å; E94-R134 PolarHBondContact OE2-NE 3.1Å; E94-R134 IonicContact OE2-NH2 3.39Å; E94-R134 PolarHBondContact OE2-NH2 3.17Å; P130-R134 WeakPolarHBondContact O-CG 3.1Å; P130-R134 PolarHBondContact O-N 3.36Å; P130-R134 PolarHBondContact O-NH1 2.91Å; L131-R134 PolarHBondContact O-N 3.42Å; R134-G138 WeakPolarHBondContact O-CA 3.26Å; R134-G138 PolarHBondContact O-N 2.83Å
135	L	97.8	Very high	96.5	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.016	26%	0.256	C	S	.	.	H	α-helix	trans	-65.1	-43.2	176.3	-69	178.5	0	0	0	111.6	E94 A97 T98 L131 V132 K133 S137 G138 S143 R144 A147 L150	E94-L135 HydrophobicContact CG-CD2 3.98Å; E94-L135 HydrophobicContact CG-CG 4.31Å; A97-L135 HydrophobicContact CB-CD1 4.43Å; T98-L135 HydrophobicContact CG2-CD2 3.67Å; L131-L135 HydrophobicContact CD2-CD1 3.6Å; L131-L135 HydrophobicContact CD2-CG 4.32Å; L131-L135 HydrophobicContact CG-CD1 4.33Å; L131-L135 WeakPolarHBondContact O-CG 3.45Å; L131-L135 PolarHBondContact O-N 3.3Å; V132-L135 PolarHBondContact O-N 2.81Å; K133-L135 PolarHBondContact O-N 3.33Å; L135-S137 VanDerWaalsContact C-N 3.33Å; L135-S137 PolarHBondContact O-N 2.95Å; L135-G138 PolarHBondContact O-N 3.08Å; L135-S143 CarbonylContact O-C 3.39Å; L135-S143 VanDerWaalsContact O-C 3.27Å; L135-S143 PolarHBondContact O-OG 3.42Å; L135-R144 VanDerWaalsContact O-CA 3.31Å; L135-R144 WeakPolarHBondContact O-CA 3.47Å; L135-R144 WeakPolarHBondContact O-CG 3.23Å; L135-R144 PolarHBondContact O-N 2.99Å; L135-A147 HydrophobicContact CB-CB 3.82Å; L135-L150 HydrophobicContact CD1-CD1 3.72Å
136	A	97.3	Very high	96.6	Very high	11 Å²	11	48.4 Å²	48.4	9%	0.091	24%	0.244	C	C	.	.	H	α-helix	trans	-67.3	-31.3	-179	0	0	0	0	0	113.1	V132 K133 R144 A147 F151 L173	V132-A136 VanDerWaalsContact O-CB 3.24Å; V132-A136 WeakPolarHBondContact O-CB 3.49Å; V132-A136 PolarHBondContact O-N 2.99Å; K133-A136 PolarHBondContact O-N 3.47Å; A136-R144 VanDerWaalsContact O-CD 3.27Å; A136-R144 WeakPolarHBondContact O-CD 3.23Å; A136-R144 WeakPolarHBondContact O-CG 3.19Å; A136-A147 HydrophobicContact CB-CB 3.91Å; A136-F151 HydrophobicContact CB-CZ 4.22Å; A136-L173 HydrophobicContact CB-CD1 4.09Å; A136-L173 HydrophobicContact CB-CD2 4.5Å
137	S	95.4	Very high	96.6	Very high	88 Å²	88	44.4 Å²	44.4	62%	0.615	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.7	12	177.4	71.7	0	0	0	0	113.7	K133 L135	K133-S137 PolarHBondContact O-N 3.17Å; K133-S137 PolarHBondContact O-OG 3.41Å; K133-S137 VanDerWaalsContact O-OG 3.05Å; L135-S137 VanDerWaalsContact C-N 3.33Å; L135-S137 PolarHBondContact O-N 2.95Å
138	G	94.4	Very high	96.7	Very high	17 Å²	17	41.6 Å²	41.6	18%	0.175	21%	0.207	C	C	.	.			trans	-69.5	148.4	-177.2	0	0	0	0	0	112.5	R134 L135 W140 R144	R134-G138 WeakPolarHBondContact O-CA 3.26Å; R134-G138 PolarHBondContact O-N 2.83Å; L135-G138 PolarHBondContact O-N 3.08Å; G138-W140 VanDerWaalsContact C-N 3.28Å; G138-W140 PolarHBondContact O-N 3.28Å; G138-R144 WeakPolarHBondContact O-CD 3.48Å; G138-R144 WeakPolarHBondContact O-CG 3.29Å; G138-R144 PolarHBondContact O-NH1 3.44Å
139	D	92.3	Very high	96.7	Very high	156 Å²	156	41.8 Å²	41.8	83%	0.834	21%	0.21	S	C	*	.	S	Bend	trans	-61.6	-38.1	-178.6	-64.7	-36.6	0	0	0	112.1	R144	D139-R144 VanDerWaalsContact C-NH1 3.32Å; D139-R144 PolarHBondContact O-NH1 2.95Å
140	W	93.6	Very high	96.8	Very high	190 Å²	190	41.1 Å²	41.1	72%	0.72	21%	0.207	S	C	*	.	S	Bend	trans	-87.7	133.8	-178.7	-65.4	103.3	0	0	0	112.2	G138 T142 S143	G138-W140 VanDerWaalsContact C-N 3.28Å; G138-W140 PolarHBondContact O-N 3.28Å; W140-T142 PolarHBondContact O-N 3.35Å; W140-T142 VanDerWaalsContact O-N 3.13Å; W140-S143 PolarHBondContact O-N 2.97Å; W140-S143 PolarHBondContact O-OG 2.89Å
141	F	95.2	Very high	96.8	Very high	61 Å²	61	39.4 Å²	39.4	27%	0.268	20%	0.195	S	C	.	.	H	α-helix	trans	-61.2	-24.8	-180	75.9	-94.9	0	0	0	113	R144 T145 T178 M180 V181	F141-R144 PolarHBondContact O-N 3.28Å; F141-T145 WeakPolarHBondContact O-CB 3.5Å; F141-T145 PolarHBondContact O-N 3.17Å; F141-T145 PolarHBondContact O-OG1 3.49Å; F141-T178 HydrophobicContact CB-CG2 3.81Å; F141-T178 HydrophobicContact CG-CG2 4.12Å; F141-M180 HydrophobicContact CD2-CB 4.1Å; F141-M180 HydrophobicContact CD2-CE 3.96Å; F141-M180 HydrophobicContact CD2-SD 3.86Å; F141-M180 HydrophobicContact CE1-SD 4.37Å; F141-M180 HydrophobicContact CE2-CB 4.46Å; F141-M180 HydrophobicContact CE2-CE 3.14Å; F141-M180 HydrophobicContact CE2-SD 3.52Å; F141-M180 VanDerWaalsContact CE2-SD 3.52Å; F141-M180 HydrophobicContact CG-SD 4.48Å; F141-M180 HydrophobicContact CZ-CE 3.56Å; F141-M180 HydrophobicContact CZ-SD 3.79Å; F141-V181 HydrophobicContact CB-CG2 3.86Å
142	T	95.6	Very high	96.8	Very high	12 Å²	12	40 Å²	40	7%	0.074	20%	0.199	C	C	.	.	H	α-helix	trans	-59.7	-47	177.6	51.8	0	0	0	0	111.1	T98 W140 T145 S146	T98-T142 PolarHBondContact O-OG1 3.42Å; W140-T142 PolarHBondContact O-N 3.35Å; W140-T142 VanDerWaalsContact O-N 3.13Å; T142-T145 WeakPolarHBondContact O-CB 3.3Å; T142-T145 PolarHBondContact O-N 3.28Å; T142-S146 PolarHBondContact O-N 3.03Å; T142-S146 VanDerWaalsContact O-N 3.11Å; T142-S146 PolarHBondContact O-OG 3.09Å
143	S	97.3	Very high	96.8	Very high	8 Å²	8	40.6 Å²	40.6	6%	0.056	20%	0.203	C	C	.	.	H	α-helix	trans	-62	-45.8	176.3	68.3	0	0	0	0	112.3	L135 W140 T145 S146 A147	L135-S143 CarbonylContact O-C 3.39Å; L135-S143 VanDerWaalsContact O-C 3.27Å; L135-S143 PolarHBondContact O-OG 3.42Å; W140-S143 PolarHBondContact O-N 2.97Å; W140-S143 PolarHBondContact O-OG 2.89Å; S143-T145 VanDerWaalsContact C-N 3.31Å; S143-T145 PolarHBondContact O-N 3.04Å; S143-S146 WeakPolarHBondContact O-CB 3.45Å; S143-S146 PolarHBondContact O-N 3.43Å; S143-A147 PolarHBondContact O-N 2.68Å
144	R	98.1	Very high	96.7	Very high	33 Å²	33	36.8 Å²	36.8	13%	0.125	19%	0.186	C	C	.	.	H	α-helix	trans	-64.9	-36	179	-59.3	-160.5	-59.2	-82	4.1	112.4	L135 A136 G138 D139 F141 A147 L173 D176 T178 V181	L135-R144 VanDerWaalsContact O-CA 3.31Å; L135-R144 WeakPolarHBondContact O-CA 3.47Å; L135-R144 WeakPolarHBondContact O-CG 3.23Å; L135-R144 PolarHBondContact O-N 2.99Å; A136-R144 VanDerWaalsContact O-CD 3.27Å; A136-R144 WeakPolarHBondContact O-CD 3.23Å; A136-R144 WeakPolarHBondContact O-CG 3.19Å; G138-R144 WeakPolarHBondContact O-CD 3.48Å; G138-R144 WeakPolarHBondContact O-CG 3.29Å; G138-R144 PolarHBondContact O-NH1 3.44Å; D139-R144 VanDerWaalsContact C-NH1 3.32Å; D139-R144 PolarHBondContact O-NH1 2.95Å; F141-R144 PolarHBondContact O-N 3.28Å; R144-A147 WeakPolarHBondContact O-CB 3.4Å; R144-A147 PolarHBondContact O-N 3.16Å; R144-L173 HydrophobicContact CB-CD2 3.83Å; R144-L173 HydrophobicContact CG-CD2 4.41Å; R144-D176 IonicContact CZ-OD1 3.58Å; R144-D176 IonicContact CZ-OD2 3.78Å; R144-D176 IonicContact NE-OD1 2.91Å; R144-D176 IonicContact NE-OD2 3.1Å; R144-D176 PolarHBondContact NE-OD2 3.35Å; R144-D176 IonicContact NH2-OD1 2.77Å; R144-D176 PolarHBondContact NH2-OD1 3.31Å; R144-D176 VanDerWaalsContact NH2-OD1 3.16Å; R144-D176 IonicContact NH2-OD2 3.61Å; R144-D176 PolarHBondContact NH2-OD2 3.49Å; R144-T178 PolarHBondContact NH2-OG1 3.3Å; R144-V181 HydrophobicContact CB-CG1 4.02Å; R144-V181 HydrophobicContact CB-CG2 3.86Å
145	T	97.4	Very high	96.7	Very high	31 Å²	31	31.1 Å²	31.1	19%	0.19	17%	0.165	C	C	.	.	H	α-helix	trans	-61.8	-46.1	173.4	-59.1	0	0	0	0	110.8	F141 T142 S143 A147 C148 A184	F141-T145 WeakPolarHBondContact O-CB 3.5Å; F141-T145 PolarHBondContact O-N 3.17Å; F141-T145 PolarHBondContact O-OG1 3.49Å; T142-T145 WeakPolarHBondContact O-CB 3.3Å; T142-T145 PolarHBondContact O-N 3.28Å; S143-T145 VanDerWaalsContact C-N 3.31Å; S143-T145 PolarHBondContact O-N 3.04Å; T145-A147 VanDerWaalsContact C-N 3.33Å; T145-A147 PolarHBondContact O-N 3.17Å; T145-C148 WeakPolarHBondContact O-CB 3.35Å; T145-C148 PolarHBondContact O-N 3.4Å; T145-A184 HydrophobicContact CG2-CB 3.63Å
146	S	98.1	Very high	96.6	Very high	6 Å²	6	34.2 Å²	34.2	4%	0.042	19%	0.185	C	C	.	.	H	α-helix	trans	-63.6	-37.2	177.7	-62.9	0	0	0	0	112.6	A97 R105 T142 S143 C148 G149	A97-S146 WeakPolarHBondContact O-CB 3.39Å; A97-S146 PolarHBondContact O-OG 3.4Å; R105-S146 WeakPolarHBondContact CD-OG 3.39Å; T142-S146 PolarHBondContact O-N 3.03Å; T142-S146 VanDerWaalsContact O-N 3.11Å; T142-S146 PolarHBondContact O-OG 3.09Å; S143-S146 WeakPolarHBondContact O-CB 3.45Å; S143-S146 PolarHBondContact O-N 3.43Å; S146-C148 VanDerWaalsContact C-N 3.27Å; S146-C148 PolarHBondContact O-N 3.19Å; S146-G149 PolarHBondContact O-N 3.18Å; S146-G149 VanDerWaalsContact O-N 3.15Å
147	A	98.3	Very high	96.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-56.9	-38.3	178.5	0	0	0	0	0	112.8	L135 A136 S143 R144 T145 G149 L150 F151 L173	L135-A147 HydrophobicContact CB-CB 3.82Å; A136-A147 HydrophobicContact CB-CB 3.91Å; S143-A147 PolarHBondContact O-N 2.68Å; R144-A147 WeakPolarHBondContact O-CB 3.4Å; R144-A147 PolarHBondContact O-N 3.16Å; T145-A147 VanDerWaalsContact C-N 3.33Å; T145-A147 PolarHBondContact O-N 3.17Å; A147-G149 PolarHBondContact O-N 3.38Å; A147-L150 PolarHBondContact O-N 3.22Å; A147-F151 HydrophobicContact CB-CE2 4.35Å; A147-F151 WeakPolarHBondContact O-CD2 3.48Å; A147-F151 WeakPolarHBondContact O-CE2 3.28Å; A147-L173 HydrophobicContact CB-CD1 4.25Å
148	C	98.1	Very high	96.7	Very high	4 Å²	4	33.7 Å²	33.7	3%	0.027	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-32.2	178.9	-65.5	0	0	0	0	113	T145 S146 A184 K188	T145-C148 WeakPolarHBondContact O-CB 3.35Å; T145-C148 PolarHBondContact O-N 3.4Å; S146-C148 VanDerWaalsContact C-N 3.27Å; S146-C148 PolarHBondContact O-N 3.19Å; C148-A184 HydrophobicContact CB-CB 4.18Å; C148-K188 HydrophobicContact CB-CB 4.49Å; C148-K188 HydrophobicContact CB-CG 4.24Å; C148-K188 WeakPolarHBondContact O-CB 3.32Å
149	G	97.6	Very high	96.8	Very high	5 Å²	5	35 Å²	35	5%	0.052	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-2.4	-179.3	0	0	0	0	0	115.7	R113 S146 A147	R113-G149 WeakPolarHBondContact CD-O 3.43Å; R113-G149 PolarHBondContact NH1-O 3.49Å; S146-G149 PolarHBondContact O-N 3.18Å; S146-G149 VanDerWaalsContact O-N 3.15Å; A147-G149 PolarHBondContact O-N 3.38Å
150	L	98.4	Very high	97	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-16.1	-170.7	-59.4	176.8	0	0	0	114.3	V109 L112 R113 F128 L131 V132 L135 A147 S152 V153 C154	V109-L150 HydrophobicContact CG1-CD2 3.91Å; V109-L150 HydrophobicContact CG1-CG 4.47Å; L112-L150 HydrophobicContact CB-CD2 3.68Å; L112-L150 HydrophobicContact CD1-CD1 4.01Å; L112-L150 HydrophobicContact CD1-CD2 4.2Å; R113-L150 HydrophobicContact CG-CD2 4.06Å; F128-L150 HydrophobicContact CE1-CB 4.42Å; F128-L150 HydrophobicContact CZ-CD2 4.28Å; L131-L150 HydrophobicContact CD2-CD1 3.88Å; V132-L150 HydrophobicContact CG1-CB 4.39Å; V132-L150 HydrophobicContact CG2-CB 3.72Å; V132-L150 HydrophobicContact CG2-CD1 4.08Å; L135-L150 HydrophobicContact CD1-CD1 3.72Å; A147-L150 PolarHBondContact O-N 3.22Å; L150-S152 PolarHBondContact O-N 3.14Å; L150-V153 WeakPolarHBondContact O-CG2 3.41Å; L150-C154 PolarHBondContact O-SG 3.39Å
151	F	97.9	Very high	97.2	Very high	1 Å²	1	28.1 Å²	28.1	0%	0.004	16%	0.164	C	C	.	.	H	α-helix	trans	-66.3	-41	-174.6	-65.7	-75.9	0	0	0	113.7	V132 A136 A147 V153 C154 Y155 I166 H169 F170 L173 F192	V132-F151 HydrophobicContact CG1-CD1 3.83Å; V132-F151 HydrophobicContact CG1-CE1 3.54Å; V132-F151 HydrophobicContact CG1-CE2 4.44Å; V132-F151 HydrophobicContact CG1-CG 4.47Å; V132-F151 HydrophobicContact CG1-CZ 3.88Å; A136-F151 HydrophobicContact CB-CZ 4.22Å; A147-F151 HydrophobicContact CB-CE2 4.35Å; A147-F151 WeakPolarHBondContact O-CD2 3.48Å; A147-F151 WeakPolarHBondContact O-CE2 3.28Å; F151-V153 VanDerWaalsContact C-N 3.28Å; F151-V153 PolarHBondContact O-N 3.39Å; F151-C154 PolarHBondContact O-SG 2.93Å; F151-Y155 VanDerWaalsContact O-CB 3.27Å; F151-Y155 WeakPolarHBondContact O-CB 3.36Å; F151-Y155 PolarHBondContact O-N 2.76Å; F151-Y155 VanDerWaalsContact O-N 3.08Å; F151-I166 HydrophobicContact CB-CG2 4.19Å; F151-I166 HydrophobicContact CD1-CB 4.35Å; F151-I166 HydrophobicContact CD1-CG1 4.44Å; F151-I166 HydrophobicContact CD1-CG2 3.56Å; F151-I166 HydrophobicContact CE1-CG2 4.37Å; F151-I166 HydrophobicContact CG-CG2 4.29Å; F151-H169 HydrophobicContact CE1-CB 3.93Å; F151-H169 HydrophobicContact CZ-CB 4.11Å; F151-F170 HydrophobicContact CB-CD2 4.5Å; F151-F170 AromaticContact CD2-CD2 3.51Å; F151-F170 HydrophobicContact CD2-CD2 3.51Å; F151-F170 HydrophobicContact CD2-CE2 4.18Å; F151-F170 AromaticContact CE2-CD2 3.84Å; F151-F170 HydrophobicContact CE2-CD2 3.84Å; F151-F170 HydrophobicContact CG-CD2 4.07Å; F151-L173 HydrophobicContact CE2-CD1 3.42Å; F151-L173 VanDerWaalsContact CE2-CD1 3.42Å; F151-L173 HydrophobicContact CZ-CD1 3.6Å; F151-F192 HydrophobicContact CB-CD2 3.92Å; F151-F192 HydrophobicContact CB-CE2 3.81Å; F151-F192 HydrophobicContact CB-CZ 4.41Å
152	S	97.6	Very high	97.2	Very high	11 Å²	11	26 Å²	26	8%	0.077	16%	0.156	C	C	.	.	H	α-helix	trans	-65.8	-29.5	-174.6	59.1	0	0	0	0	113.6	R113 L150 P156 E191	R113-S152 PolarHBondContact NH1-OG 2.94Å; L150-S152 PolarHBondContact O-N 3.14Å; S152-P156 VanDerWaalsContact O-CD 3.31Å; S152-P156 WeakPolarHBondContact O-CD 3.33Å; S152-E191 WeakPolarHBondContact CB-OE1 3.26Å; S152-E191 PolarHBondContact OG-OE1 3.34Å
153	V	97.1	Very high	97.3	Very high	16 Å²	16	26.8 Å²	26.8	10%	0.097	16%	0.159	C	C	.	.	H	α-helix	trans	-82.4	-28.2	-174.6	-64.6	0	0	0	0	113.2	R113 S116 F128 L150 F151	R113-V153 HydrophobicContact CB-CG1 4.08Å; R113-V153 HydrophobicContact CG-CG1 3.94Å; R113-V153 HydrophobicContact CG-CG2 4.19Å; S116-V153 WeakPolarHBondContact OG-CB 3.47Å; S116-V153 WeakPolarHBondContact OG-CG2 3.24Å; F128-V153 HydrophobicContact CE1-CG2 4.23Å; F128-V153 HydrophobicContact CZ-CG2 4.19Å; L150-V153 WeakPolarHBondContact O-CG2 3.41Å; F151-V153 VanDerWaalsContact C-N 3.28Å; F151-V153 PolarHBondContact O-N 3.39Å
154	C	94.8	Very high	97.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-94.3	-32.7	177.9	61.6	0	0	0	0	112.8	L124 F128 L150 F151 P156 R157	L124-C154 HydrophobicContact CD2-CB 4.37Å; F128-C154 HydrophobicContact CD1-CB 3.81Å; F128-C154 HydrophobicContact CE1-CB 3.99Å; L150-C154 PolarHBondContact O-SG 3.39Å; F151-C154 PolarHBondContact O-SG 2.93Å; C154-P156 VanDerWaalsContact C-CD 3.43Å; C154-R157 PolarHBondContact O-N 3.41Å; C154-R157 VanDerWaalsContact O-N 3.16Å
155	Y	97.8	Very high	97.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-48.9	-45.4	-174.2	-175.2	-89.7	0	0	0	115.4	F151 R157 V158 K163 I166 R167 F192 V195 L196 E197	F151-Y155 VanDerWaalsContact O-CB 3.27Å; F151-Y155 WeakPolarHBondContact O-CB 3.36Å; F151-Y155 PolarHBondContact O-N 2.76Å; F151-Y155 VanDerWaalsContact O-N 3.08Å; Y155-R157 PolarHBondContact O-N 3.38Å; Y155-V158 WeakPolarHBondContact O-CG2 3.45Å; Y155-K163 HydrophobicContact CD1-CD 4.47Å; Y155-K163 HydrophobicContact CD1-CG 4.49Å; Y155-K163 HydrophobicContact CD2-CB 4.16Å; Y155-K163 HydrophobicContact CD2-CG 3.94Å; Y155-K163 HydrophobicContact CE1-CD 3.92Å; Y155-K163 HydrophobicContact CE1-CG 4.21Å; Y155-K163 HydrophobicContact CE2-CB 3.53Å; Y155-K163 HydrophobicContact CE2-CD 4.17Å; Y155-K163 HydrophobicContact CE2-CG 3.65Å; Y155-K163 HydrophobicContact CG-CG 4.36Å; Y155-K163 WeakPolarHBondContact O-CE 3.48Å; Y155-I166 HydrophobicContact CD2-CB 4.22Å; Y155-I166 HydrophobicContact CD2-CD1 4.43Å; Y155-I166 HydrophobicContact CD2-CG2 3.69Å; Y155-I166 HydrophobicContact CE2-CG2 4.42Å; Y155-R167 HydrophobicContact CE2-CG 3.88Å; Y155-R167 PolarHBondContact OH-NH1 3.2Å; Y155-F192 AromaticContact CD2-CE2 3.96Å; Y155-F192 HydrophobicContact CD2-CE2 3.96Å; Y155-F192 HydrophobicContact CD2-CZ 4.26Å; Y155-F192 HydrophobicContact CG-CE2 4.14Å; Y155-V195 HydrophobicContact CD1-CG2 4.13Å; Y155-V195 VanDerWaalsContact CD1-O 3.28Å; Y155-V195 WeakPolarHBondContact CD1-O 3.48Å; Y155-V195 WeakPolarHBondContact CE1-O 3.38Å; Y155-V195 HydrophobicContact CG-CG2 4.41Å; Y155-L196 HydrophobicContact CD1-CD1 4.49Å; Y155-L196 HydrophobicContact CE1-CD1 4.31Å; Y155-L196 HydrophobicContact CE1-CG 4.09Å; Y155-E197 WeakPolarHBondContact CE1-OE2 3.23Å; Y155-E197 PolarHBondContact OH-OE2 3.39Å
156	P	97.5	Very high	97.3	Very high	69 Å²	69	28.9 Å²	28.9	45%	0.448	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-65.1	-24.7	-174.3	-21.6	32.3	0	0	0	114.6	S152 C154 V195	S152-P156 VanDerWaalsContact O-CD 3.31Å; S152-P156 WeakPolarHBondContact O-CD 3.33Å; C154-P156 VanDerWaalsContact C-CD 3.43Å; P156-V195 HydrophobicContact CG-CB 4.04Å; P156-V195 HydrophobicContact CG-CG1 4.23Å
157	R	97.1	Very high	97.3	Very high	78 Å²	78	29.9 Å²	29.9	29%	0.294	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-109.3	2.9	-164	-61.5	172.2	65.4	-157.2	0.5	113.6	S116 Q117 H119 P121 L124 C154 Y155	S116-R157 PolarHBondContact O-NH1 3.46Å; Q117-R157 PolarHBondContact O-NH1 3.38Å; H119-R157 PolarHBondContact O-NH1 3Å; H119-R157 PolarHBondContact O-NH2 3.07Å; P121-R157 WeakPolarHBondContact CB-O 3.49Å; L124-R157 HydrophobicContact CD1-CB 3.69Å; L124-R157 HydrophobicContact CD1-CG 4.5Å; C154-R157 PolarHBondContact O-N 3.41Å; C154-R157 VanDerWaalsContact O-N 3.16Å; Y155-R157 PolarHBondContact O-N 3.38Å
158	V	96.9	Very high	97.2	Very high	10 Å²	10	34.1 Å²	34.1	6%	0.061	20%	0.197	C	C	.	.	S	Bend	trans	-108	162.7	-179.9	-60.4	0	0	0	0	111.7	L124 E125 Y155 V162 K163 I166	L124-V158 HydrophobicContact CB-CG1 4.02Å; E125-V158 HydrophobicContact CG-CB 3.85Å; E125-V158 HydrophobicContact CG-CG1 3.72Å; E125-V158 WeakPolarHBondContact OE1-CA 3.28Å; Y155-V158 WeakPolarHBondContact O-CG2 3.45Å; V158-V162 HydrophobicContact CB-CB 4.07Å; V158-V162 HydrophobicContact CB-CG1 3.93Å; V158-V162 HydrophobicContact CG1-CG1 4.38Å; V158-V162 HydrophobicContact CG2-CB 4.02Å; V158-V162 HydrophobicContact CG2-CG1 3.76Å; V158-K163 HydrophobicContact CG2-CG 3.94Å; V158-I166 HydrophobicContact CG2-CD1 3.95Å
159	S	97.3	Very high	97.2	Very high	44 Å²	44	35.9 Å²	35.9	31%	0.308	20%	0.204	S	C	.	.			trans	-62	156.3	-179.6	67.1	0	0	0	0	112.9	E125 T161 V162 K163	E125-S159 VanDerWaalsContact OE1-CB 3.28Å; E125-S159 WeakPolarHBondContact OE1-CB 3.4Å; E125-S159 PolarHBondContact OE1-N 2.92Å; E125-S159 PolarHBondContact OE1-OG 3.47Å; E125-S159 PolarHBondContact OE2-OG 2.88Å; E125-S159 VanDerWaalsContact OE2-OG 3.07Å; S159-T161 PolarHBondContact O-N 3.05Å; S159-V162 PolarHBondContact O-N 3.46Å; S159-V162 WeakPolarHBondContact OG-CG2 3.27Å; S159-K163 WeakPolarHBondContact O-CG 3.44Å; S159-K163 PolarHBondContact O-N 3.41Å
160	S	96.2	Very high	97.2	Very high	101 Å²	101	35.6 Å²	35.6	71%	0.706	20%	0.202	S	C	*	.	H	α-helix	trans	-59	-31.3	-178.7	-54.1	0	0	0	0	113.4	A164	S160-A164 PolarHBondContact O-N 3.13Å; S160-A164 VanDerWaalsContact O-N 3.15Å
161	T	96.2	Very high	97.2	Very high	100 Å²	100	39.6 Å²	39.6	61%	0.613	22%	0.217	S	C	*	.	H	α-helix	trans	-64.1	-49.9	174.6	-51.4	0	0	0	0	110.5	S159 K163 A164 E165	S159-T161 PolarHBondContact O-N 3.05Å; T161-K163 VanDerWaalsContact C-N 3.35Å; T161-K163 PolarHBondContact O-N 3.23Å; T161-A164 WeakPolarHBondContact O-CB 3.36Å; T161-A164 PolarHBondContact O-N 3.09Å; T161-A164 VanDerWaalsContact O-N 3.14Å; T161-E165 PolarHBondContact O-N 2.73Å
162	V	96.8	Very high	97.2	Very high	17 Å²	17	43 Å²	43	10%	0.103	24%	0.237	C	C	.	.	H	α-helix	trans	-66.8	-37.1	179.4	178.4	0	0	0	0	111.3	E125 E129 V158 S159 A164 E165 I166	E125-V162 HydrophobicContact CG-CG2 4.11Å; E129-V162 HydrophobicContact CB-CG1 4.34Å; E129-V162 HydrophobicContact CG-CG1 3.72Å; V158-V162 HydrophobicContact CB-CB 4.07Å; V158-V162 HydrophobicContact CB-CG1 3.93Å; V158-V162 HydrophobicContact CG1-CG1 4.38Å; V158-V162 HydrophobicContact CG2-CB 4.02Å; V158-V162 HydrophobicContact CG2-CG1 3.76Å; S159-V162 PolarHBondContact O-N 3.46Å; S159-V162 WeakPolarHBondContact OG-CG2 3.27Å; V162-A164 VanDerWaalsContact C-N 3.28Å; V162-A164 PolarHBondContact O-N 3.31Å; V162-E165 PolarHBondContact O-N 3.01Å; V162-I166 HydrophobicContact CG1-CD1 4.01Å; V162-I166 HydrophobicContact CG1-CG1 4.42Å; V162-I166 WeakPolarHBondContact O-CG1 3.29Å; V162-I166 PolarHBondContact O-N 2.96Å
163	K	98	Very high	97.3	Very high	29 Å²	29	42.5 Å²	42.5	13%	0.126	23%	0.234	C	C	.	.	H	α-helix	trans	-55.4	-43.1	171.2	-75.2	-176.8	170.4	-178.8	0	112.1	Y155 V158 S159 T161 I166 R167 E197	Y155-K163 HydrophobicContact CD1-CD 4.47Å; Y155-K163 HydrophobicContact CD1-CG 4.49Å; Y155-K163 HydrophobicContact CD2-CB 4.16Å; Y155-K163 HydrophobicContact CD2-CG 3.94Å; Y155-K163 HydrophobicContact CE1-CD 3.92Å; Y155-K163 HydrophobicContact CE1-CG 4.21Å; Y155-K163 HydrophobicContact CE2-CB 3.53Å; Y155-K163 HydrophobicContact CE2-CD 4.17Å; Y155-K163 HydrophobicContact CE2-CG 3.65Å; Y155-K163 HydrophobicContact CG-CG 4.36Å; Y155-K163 WeakPolarHBondContact O-CE 3.48Å; V158-K163 HydrophobicContact CG2-CG 3.94Å; S159-K163 WeakPolarHBondContact O-CG 3.44Å; S159-K163 PolarHBondContact O-N 3.41Å; T161-K163 VanDerWaalsContact C-N 3.35Å; T161-K163 PolarHBondContact O-N 3.23Å; K163-I166 PolarHBondContact O-N 3.44Å; K163-R167 WeakPolarHBondContact O-CG 3.33Å; K163-R167 PolarHBondContact O-N 3.08Å; K163-E197 IonicContact NZ-OE1 3.06Å; K163-E197 PolarHBondContact NZ-OE1 3.33Å
164	A	97.3	Very high	97.3	Very high	42 Å²	42	42.2 Å²	42.2	35%	0.347	23%	0.233	S	C	.	.	H	α-helix	trans	-65.5	-40.3	178	0	0	0	0	0	112.2	S160 T161 V162 R167 Q168	S160-A164 PolarHBondContact O-N 3.13Å; S160-A164 VanDerWaalsContact O-N 3.15Å; T161-A164 WeakPolarHBondContact O-CB 3.36Å; T161-A164 PolarHBondContact O-N 3.09Å; T161-A164 VanDerWaalsContact O-N 3.14Å; V162-A164 VanDerWaalsContact C-N 3.28Å; V162-A164 PolarHBondContact O-N 3.31Å; A164-R167 PolarHBondContact O-N 2.86Å; A164-Q168 PolarHBondContact O-N 3.25Å; A164-Q168 VanDerWaalsContact O-N 3.1Å
165	E	96.6	Very high	97.4	Very high	72 Å²	72	46.1 Å²	46.1	34%	0.336	26%	0.26	S	S	.	.	H	α-helix	trans	-62.3	-45.1	173.7	-67.1	-169.9	-153.1	0	0	111.8	K133 T161 V162 R167 Q168 H169	K133-E165 IonicContact NZ-OE2 3.84Å; K133-E165 PolarHBondContact NZ-OE2 2.9Å; T161-E165 PolarHBondContact O-N 2.73Å; V162-E165 PolarHBondContact O-N 3.01Å; E165-R167 PolarHBondContact O-N 3.35Å; E165-Q168 WeakPolarHBondContact O-CB 3.46Å; E165-Q168 PolarHBondContact O-N 3.09Å; E165-Q168 VanDerWaalsContact O-N 3.12Å; E165-H169 PolarHBondContact O-N 3.35Å; E165-H169 PolarHBondContact O-ND1 2.91Å
166	I	97.6	Very high	97.5	Very high	2 Å²	2	47 Å²	47	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-57.5	-47.8	176.4	-75.6	167.6	0	0	0	111.3	F151 Y155 V158 V162 K163 Q168 H169 F170 F192	F151-I166 HydrophobicContact CB-CG2 4.19Å; F151-I166 HydrophobicContact CD1-CB 4.35Å; F151-I166 HydrophobicContact CD1-CG1 4.44Å; F151-I166 HydrophobicContact CD1-CG2 3.56Å; F151-I166 HydrophobicContact CE1-CG2 4.37Å; F151-I166 HydrophobicContact CG-CG2 4.29Å; Y155-I166 HydrophobicContact CD2-CB 4.22Å; Y155-I166 HydrophobicContact CD2-CD1 4.43Å; Y155-I166 HydrophobicContact CD2-CG2 3.69Å; Y155-I166 HydrophobicContact CE2-CG2 4.42Å; V158-I166 HydrophobicContact CG2-CD1 3.95Å; V162-I166 HydrophobicContact CG1-CD1 4.01Å; V162-I166 HydrophobicContact CG1-CG1 4.42Å; V162-I166 WeakPolarHBondContact O-CG1 3.29Å; V162-I166 PolarHBondContact O-N 2.96Å; K163-I166 PolarHBondContact O-N 3.44Å; I166-Q168 VanDerWaalsContact C-N 3.26Å; I166-Q168 PolarHBondContact O-N 3.44Å; I166-H169 PolarHBondContact O-N 3.09Å; I166-F170 WeakPolarHBondContact O-CB 3.29Å; I166-F170 PolarHBondContact O-N 2.8Å; I166-F192 HydrophobicContact CG2-CE2 3.85Å; I166-F192 HydrophobicContact CG2-CZ 3.68Å
167	R	98.1	Very high	97.4	Very high	27 Å²	27	51.2 Å²	51.2	10%	0.102	28%	0.283	C	S	.	.	H	α-helix	trans	-61.1	-37.4	177.4	-66.5	-166.6	-52.1	-85.1	-2.2	111.7	Y155 K163 A164 E165 R171 F192 L196 D204	Y155-R167 HydrophobicContact CE2-CG 3.88Å; Y155-R167 PolarHBondContact OH-NH1 3.2Å; K163-R167 WeakPolarHBondContact O-CG 3.33Å; K163-R167 PolarHBondContact O-N 3.08Å; A164-R167 PolarHBondContact O-N 2.86Å; E165-R167 PolarHBondContact O-N 3.35Å; R167-R171 WeakPolarHBondContact O-CB 3.29Å; R167-R171 PolarHBondContact O-N 3.33Å; R167-F192 HydrophobicContact CG-CZ 4.28Å; R167-L196 HydrophobicContact CG-CD2 4.31Å; R167-D204 VanDerWaalsContact CD-OD2 3.23Å; R167-D204 WeakPolarHBondContact CD-OD2 3.45Å; R167-D204 IonicContact CZ-OD2 3.23Å; R167-D204 IonicContact NE-OD2 2.8Å; R167-D204 PolarHBondContact NE-OD2 3.11Å
168	Q	97.5	Very high	97.4	Very high	89 Å²	89	49.2 Å²	49.2	42%	0.416	28%	0.28	S	S	.	.	H	α-helix	trans	-68.9	-43.3	177.3	-175.9	55.9	38.5	0	0	112.5	A164 E165 I166 R171 T172	A164-Q168 PolarHBondContact O-N 3.25Å; A164-Q168 VanDerWaalsContact O-N 3.1Å; E165-Q168 WeakPolarHBondContact O-CB 3.46Å; E165-Q168 PolarHBondContact O-N 3.09Å; E165-Q168 VanDerWaalsContact O-N 3.12Å; I166-Q168 VanDerWaalsContact C-N 3.26Å; I166-Q168 PolarHBondContact O-N 3.44Å; Q168-R171 WeakPolarHBondContact O-CB 3.46Å; Q168-R171 PolarHBondContact O-N 3.48Å; Q168-T172 PolarHBondContact O-N 3.21Å; Q168-T172 VanDerWaalsContact O-N 3.08Å; Q168-T172 PolarHBondContact O-OG1 2.69Å
169	H	97.6	Very high	97.5	Very high	40 Å²	40	50.9 Å²	50.9	19%	0.185	29%	0.291	C	S	.	.	H	α-helix	trans	-62.9	-43.5	175.2	-66.6	145.7	0	0	0	111.7	E129 F151 E165 I166 R171 T172 L173	E129-H169 IonicContact OE1-CE1 2.79Å; F151-H169 HydrophobicContact CE1-CB 3.93Å; F151-H169 HydrophobicContact CZ-CB 4.11Å; E165-H169 PolarHBondContact O-N 3.35Å; E165-H169 PolarHBondContact O-ND1 2.91Å; I166-H169 PolarHBondContact O-N 3.09Å; H169-R171 VanDerWaalsContact C-N 3.34Å; H169-R171 PolarHBondContact O-N 2.82Å; H169-T172 WeakPolarHBondContact O-CB 3.3Å; H169-T172 PolarHBondContact O-N 3.35Å; H169-T172 VanDerWaalsContact O-N 3.16Å; H169-L173 WeakPolarHBondContact O-CG 3.23Å; H169-L173 PolarHBondContact O-N 3.46Å; H169-L173 VanDerWaalsContact O-N 3.1Å
170	F	98.3	Very high	97.4	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-62	-41.8	177.1	-167.6	-95.1	0	0	0	111.8	F151 I166 T172 L173 C174 A185 L189 F192 L208	F151-F170 HydrophobicContact CB-CD2 4.5Å; F151-F170 AromaticContact CD2-CD2 3.51Å; F151-F170 HydrophobicContact CD2-CD2 3.51Å; F151-F170 HydrophobicContact CD2-CE2 4.18Å; F151-F170 AromaticContact CE2-CD2 3.84Å; F151-F170 HydrophobicContact CE2-CD2 3.84Å; F151-F170 HydrophobicContact CG-CD2 4.07Å; I166-F170 WeakPolarHBondContact O-CB 3.29Å; I166-F170 PolarHBondContact O-N 2.8Å; F170-T172 VanDerWaalsContact C-N 3.32Å; F170-T172 PolarHBondContact O-N 2.87Å; F170-L173 PolarHBondContact O-N 2.79Å; F170-L173 VanDerWaalsContact O-N 3.16Å; F170-C174 WeakPolarHBondContact CE1-SG 3.43Å; F170-C174 PolarHBondContact O-N 3.16Å; F170-C174 PolarHBondContact O-SG 3.14Å; F170-C174 VanDerWaalsContact O-SG 3.37Å; F170-A185 HydrophobicContact CZ-CB 4.47Å; F170-L189 HydrophobicContact CE1-CD1 3.63Å; F170-L189 HydrophobicContact CZ-CD1 4.3Å; F170-F192 HydrophobicContact CB-CD1 4.36Å; F170-F192 HydrophobicContact CB-CE1 3.77Å; F170-F192 HydrophobicContact CB-CZ 4.35Å; F170-F192 AromaticContact CD1-CD1 3.57Å; F170-F192 HydrophobicContact CD1-CD1 3.57Å; F170-F192 AromaticContact CD1-CE1 3.72Å; F170-F192 HydrophobicContact CD1-CE1 3.72Å; F170-F192 HydrophobicContact CD2-CD1 4.01Å; F170-F192 HydrophobicContact CD2-CE1 4.23Å; F170-F192 AromaticContact CE1-CD1 3.78Å; F170-F192 HydrophobicContact CE1-CD1 3.78Å; F170-F192 HydrophobicContact CE1-CE1 4.39Å; F170-F192 HydrophobicContact CE2-CD1 4.19Å; F170-F192 AromaticContact CG-CD1 3.69Å; F170-F192 HydrophobicContact CG-CD1 3.69Å; F170-F192 AromaticContact CG-CE1 3.62Å; F170-F192 HydrophobicContact CG-CE1 3.62Å; F170-F192 HydrophobicContact CG-CZ 4.49Å; F170-F192 HydrophobicContact CZ-CB 4.39Å; F170-F192 HydrophobicContact CZ-CD1 4.08Å; F170-L208 HydrophobicContact CD1-CD1 4.11Å
171	R	98.3	Very high	97.5	Very high	83 Å²	83	48.9 Å²	48.9	31%	0.313	27%	0.267	S	S	.	.	H	α-helix	trans	-55.9	-44.5	172.5	169.3	-179.5	-62.8	145	-2.4	112	R167 Q168 H169 L173 C174 S175 D204 L208	R167-R171 WeakPolarHBondContact O-CB 3.29Å; R167-R171 PolarHBondContact O-N 3.33Å; Q168-R171 WeakPolarHBondContact O-CB 3.46Å; Q168-R171 PolarHBondContact O-N 3.48Å; H169-R171 VanDerWaalsContact C-N 3.34Å; H169-R171 PolarHBondContact O-N 2.82Å; R171-L173 VanDerWaalsContact C-N 3.33Å; R171-L173 PolarHBondContact O-N 3.13Å; R171-C174 PolarHBondContact O-N 2.94Å; R171-S175 PolarHBondContact O-N 3.4Å; R171-S175 PolarHBondContact O-OG 2.9Å; R171-D204 IonicContact NH2-OD1 2.75Å; R171-D204 PolarHBondContact NH2-OD1 2.8Å; R171-L208 HydrophobicContact CB-CD1 4.35Å; R171-L208 HydrophobicContact CB-CD2 4.16Å; R171-L208 HydrophobicContact CG-CD2 4Å
172	T	97.9	Very high	97.6	Very high	72 Å²	72	45.6 Å²	45.6	44%	0.442	24%	0.243	S	C	.	.	H	α-helix	trans	-61.1	-41	176.9	-63.9	0	0	0	0	112	Q168 H169 F170 S175 D176	Q168-T172 PolarHBondContact O-N 3.21Å; Q168-T172 VanDerWaalsContact O-N 3.08Å; Q168-T172 PolarHBondContact O-OG1 2.69Å; H169-T172 WeakPolarHBondContact O-CB 3.3Å; H169-T172 PolarHBondContact O-N 3.35Å; H169-T172 VanDerWaalsContact O-N 3.16Å; F170-T172 VanDerWaalsContact C-N 3.32Å; F170-T172 PolarHBondContact O-N 2.87Å; T172-S175 CarbonylContact O-C 3.54Å; T172-S175 PolarHBondContact O-N 3.39Å; T172-S175 PolarHBondContact O-OG 3.5Å; T172-D176 PolarHBondContact O-N 3.2Å; T172-D176 VanDerWaalsContact O-N 3.13Å
173	L	98.3	Very high	97.7	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-67.9	-35.1	177.7	-65.7	170.3	0	0	0	112.7	A136 R144 A147 F151 H169 F170 R171 S175 D176 V181 A185	A136-L173 HydrophobicContact CB-CD1 4.09Å; A136-L173 HydrophobicContact CB-CD2 4.5Å; R144-L173 HydrophobicContact CB-CD2 3.83Å; R144-L173 HydrophobicContact CG-CD2 4.41Å; A147-L173 HydrophobicContact CB-CD1 4.25Å; F151-L173 HydrophobicContact CE2-CD1 3.42Å; F151-L173 VanDerWaalsContact CE2-CD1 3.42Å; F151-L173 HydrophobicContact CZ-CD1 3.6Å; H169-L173 WeakPolarHBondContact O-CG 3.23Å; H169-L173 PolarHBondContact O-N 3.46Å; H169-L173 VanDerWaalsContact O-N 3.1Å; F170-L173 PolarHBondContact O-N 2.79Å; F170-L173 VanDerWaalsContact O-N 3.16Å; R171-L173 VanDerWaalsContact C-N 3.33Å; R171-L173 PolarHBondContact O-N 3.13Å; L173-S175 PolarHBondContact O-N 3.34Å; L173-D176 WeakPolarHBondContact O-CB 3.49Å; L173-D176 PolarHBondContact O-N 3.42Å; L173-V181 HydrophobicContact CB-CG1 4.17Å; L173-V181 HydrophobicContact CD2-CG1 3.65Å; L173-A185 HydrophobicContact CB-CB 4.45Å
174	C	98.1	Very high	97.7	Very high	10 Å²	10	50.7 Å²	50.7	7%	0.068	26%	0.263	C	S	.	.	H	α-helix	trans	-63.6	-25.4	173.5	-67.8	0	0	0	0	113.1	F170 R171 R182 L208 L212	F170-C174 WeakPolarHBondContact CE1-SG 3.43Å; F170-C174 PolarHBondContact O-N 3.16Å; F170-C174 PolarHBondContact O-SG 3.14Å; F170-C174 VanDerWaalsContact O-SG 3.37Å; R171-C174 PolarHBondContact O-N 2.94Å; C174-R182 WeakPolarHBondContact O-CD 3.12Å; C174-L208 HydrophobicContact CB-CD2 3.87Å; C174-L212 HydrophobicContact CB-CD1 4.19Å; C174-L212 HydrophobicContact CB-CD2 4.46Å; C174-L212 HydrophobicContact CB-CG 4.47Å; C174-L212 WeakPolarHBondContact O-CD2 3.49Å
175	S	97.3	Very high	97.7	Very high	83 Å²	83	48.7 Å²	48.7	58%	0.58	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.2	20.7	177.2	65.2	0	0	0	0	113.1	R171 T172 L173	R171-S175 PolarHBondContact O-N 3.4Å; R171-S175 PolarHBondContact O-OG 2.9Å; T172-S175 CarbonylContact O-C 3.54Å; T172-S175 PolarHBondContact O-N 3.39Å; T172-S175 PolarHBondContact O-OG 3.5Å; L173-S175 PolarHBondContact O-N 3.34Å
176	D	98.2	Very high	97.8	Very high	19 Å²	19	45.3 Å²	45.3	10%	0.102	23%	0.231	C	C	.	.			trans	-62	142.9	179.7	-164.3	-78	0	0	0	110.9	R144 T172 L173 T178 V181 R182	R144-D176 IonicContact CZ-OD1 3.58Å; R144-D176 IonicContact CZ-OD2 3.78Å; R144-D176 IonicContact NE-OD1 2.91Å; R144-D176 IonicContact NE-OD2 3.1Å; R144-D176 PolarHBondContact NE-OD2 3.35Å; R144-D176 IonicContact NH2-OD1 2.77Å; R144-D176 PolarHBondContact NH2-OD1 3.31Å; R144-D176 VanDerWaalsContact NH2-OD1 3.16Å; R144-D176 IonicContact NH2-OD2 3.61Å; R144-D176 PolarHBondContact NH2-OD2 3.49Å; T172-D176 PolarHBondContact O-N 3.2Å; T172-D176 VanDerWaalsContact O-N 3.13Å; L173-D176 WeakPolarHBondContact O-CB 3.49Å; L173-D176 PolarHBondContact O-N 3.42Å; D176-T178 PolarHBondContact O-N 2.84Å; D176-T178 VanDerWaalsContact O-N 3.16Å; D176-T178 WeakPolarHBondContact OD1-CA 3.47Å; D176-T178 WeakPolarHBondContact OD1-CB 3.33Å; D176-T178 PolarHBondContact OD1-N 3.3Å; D176-T178 PolarHBondContact OD1-OG1 3.29Å; D176-T178 VanDerWaalsContact OD1-OG1 3.11Å; D176-V181 HydrophobicContact CB-CB 3.79Å; D176-V181 HydrophobicContact CB-CG1 3.71Å; D176-R182 HydrophobicContact CB-CG 4.19Å; D176-R182 WeakPolarHBondContact O-CD 3.43Å; D176-R182 WeakPolarHBondContact O-CG 3.22Å; D176-R182 PolarHBondContact O-NH1 3.28Å
177	D	96.9	Very high	97.8	Very high	156 Å²	156	47.9 Å²	47.9	83%	0.834	25%	0.249	S	C	*	.	S	Bend	trans	-61.1	-27.1	177.8	-66	-36.6	0	0	0	112	P179 R182	D177-P179 WeakPolarHBondContact O-CD 3.39Å; D177-R182 PolarHBondContact O-NH1 3.03Å; D177-R182 VanDerWaalsContact O-NH1 3.16Å
178	T	97.1	Very high	97.8	Very high	36 Å²	36	49.8 Å²	49.8	22%	0.221	26%	0.258	C	S	.	.	S	Bend	trans	-86.4	118.9	-177.9	-47.2	0	0	0	0	111.4	F141 R144 D176 M180 V181 R182	F141-T178 HydrophobicContact CB-CG2 3.81Å; F141-T178 HydrophobicContact CG-CG2 4.12Å; R144-T178 PolarHBondContact NH2-OG1 3.3Å; D176-T178 PolarHBondContact O-N 2.84Å; D176-T178 VanDerWaalsContact O-N 3.16Å; D176-T178 WeakPolarHBondContact OD1-CA 3.47Å; D176-T178 WeakPolarHBondContact OD1-CB 3.33Å; D176-T178 PolarHBondContact OD1-N 3.3Å; D176-T178 PolarHBondContact OD1-OG1 3.29Å; D176-T178 VanDerWaalsContact OD1-OG1 3.11Å; T178-M180 HydrophobicContact CG2-CB 4.16Å; T178-M180 HydrophobicContact CG2-CG 4.46Å; T178-M180 PolarHBondContact O-N 3.44Å; T178-M180 VanDerWaalsContact O-N 3.12Å; T178-V181 HydrophobicContact CG2-CG2 4.49Å; T178-V181 PolarHBondContact O-N 2.83Å; T178-V181 VanDerWaalsContact O-N 3.09Å; T178-R182 PolarHBondContact O-N 2.96Å
179	P	97.3	Very high	97.8	Very high	46 Å²	46	45.6 Å²	45.6	30%	0.299	24%	0.238	S	C	.	.	H	α-helix	trans	-56.9	-31.9	179.5	-29	37	0	0	0	114.8	D177 V181 R182 R183 Q217	D177-P179 WeakPolarHBondContact O-CD 3.39Å; P179-V181 VanDerWaalsContact C-N 3.31Å; P179-V181 PolarHBondContact O-N 3.38Å; P179-R182 PolarHBondContact O-N 3.36Å; P179-R183 VanDerWaalsContact O-CB 3.22Å; P179-R183 WeakPolarHBondContact O-CB 3.4Å; P179-R183 PolarHBondContact O-N 3.49Å; P179-Q217 HydrophobicContact CB-CG 4.1Å; P179-Q217 HydrophobicContact CG-CG 4.15Å
180	M	96.8	Very high	97.8	Very high	102 Å²	102	43.9 Å²	43.9	50%	0.502	23%	0.231	S	C	.	.	H	α-helix	trans	-63.6	-37.3	179.9	-60.7	166.4	80.1	0	0	111.9	F141 T178 A184	F141-M180 HydrophobicContact CD2-CB 4.1Å; F141-M180 HydrophobicContact CD2-CE 3.96Å; F141-M180 HydrophobicContact CD2-SD 3.86Å; F141-M180 HydrophobicContact CE1-SD 4.37Å; F141-M180 HydrophobicContact CE2-CB 4.46Å; F141-M180 HydrophobicContact CE2-CE 3.14Å; F141-M180 HydrophobicContact CE2-SD 3.52Å; F141-M180 VanDerWaalsContact CE2-SD 3.52Å; F141-M180 HydrophobicContact CG-SD 4.48Å; F141-M180 HydrophobicContact CZ-CE 3.56Å; F141-M180 HydrophobicContact CZ-SD 3.79Å; T178-M180 HydrophobicContact CG2-CB 4.16Å; T178-M180 HydrophobicContact CG2-CG 4.46Å; T178-M180 PolarHBondContact O-N 3.44Å; T178-M180 VanDerWaalsContact O-N 3.12Å; M180-A184 PolarHBondContact O-N 3.31Å; M180-A184 VanDerWaalsContact O-N 3.11Å
181	V	98.1	Very high	97.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-72.6	-46.7	177.2	-179.2	0	0	0	0	110	F141 R144 L173 D176 T178 P179 R183 A184 A185	F141-V181 HydrophobicContact CB-CG2 3.86Å; R144-V181 HydrophobicContact CB-CG1 4.02Å; R144-V181 HydrophobicContact CB-CG2 3.86Å; L173-V181 HydrophobicContact CB-CG1 4.17Å; L173-V181 HydrophobicContact CD2-CG1 3.65Å; D176-V181 HydrophobicContact CB-CB 3.79Å; D176-V181 HydrophobicContact CB-CG1 3.71Å; T178-V181 HydrophobicContact CG2-CG2 4.49Å; T178-V181 PolarHBondContact O-N 2.83Å; T178-V181 VanDerWaalsContact O-N 3.09Å; P179-V181 VanDerWaalsContact C-N 3.31Å; P179-V181 PolarHBondContact O-N 3.38Å; V181-R183 VanDerWaalsContact C-N 3.27Å; V181-R183 PolarHBondContact O-N 3.26Å; V181-A184 PolarHBondContact O-N 2.94Å; V181-A184 VanDerWaalsContact O-N 3.09Å; V181-A185 PolarHBondContact O-N 3.41Å
182	R	98.4	Very high	97.8	Very high	31 Å²	31	42.7 Å²	42.7	12%	0.117	23%	0.229	C	C	.	.	H	α-helix	trans	-59.5	-39	176.1	-59.8	-159.8	-56.2	-86.4	6.9	112.3	C174 D176 D177 T178 P179 A185 A186 L212 D215 V220	C174-R182 WeakPolarHBondContact O-CD 3.12Å; D176-R182 HydrophobicContact CB-CG 4.19Å; D176-R182 WeakPolarHBondContact O-CD 3.43Å; D176-R182 WeakPolarHBondContact O-CG 3.22Å; D176-R182 PolarHBondContact O-NH1 3.28Å; D177-R182 PolarHBondContact O-NH1 3.03Å; D177-R182 VanDerWaalsContact O-NH1 3.16Å; T178-R182 PolarHBondContact O-N 2.96Å; P179-R182 PolarHBondContact O-N 3.36Å; R182-A185 PolarHBondContact O-N 3.01Å; R182-A186 WeakPolarHBondContact O-CB 3.29Å; R182-A186 PolarHBondContact O-N 2.75Å; R182-L212 HydrophobicContact CB-CD2 4.26Å; R182-D215 IonicContact CZ-OD1 2.87Å; R182-D215 IonicContact CZ-OD2 3.67Å; R182-D215 IonicContact NE-OD1 2.81Å; R182-D215 IonicContact NE-OD2 3.57Å; R182-D215 PolarHBondContact NE-OD2 2.94Å; R182-D215 IonicContact NH2-OD1 3.91Å; R182-D215 PolarHBondContact NH2-OD1 3.02Å; R182-D215 IonicContact NH2-OD2 2.87Å; R182-D215 PolarHBondContact NH2-OD2 2.69Å; R182-V220 HydrophobicContact CB-CG1 4.34Å; R182-V220 HydrophobicContact CB-CG2 4.24Å
183	R	97.8	Very high	97.8	Very high	139 Å²	139	39.3 Å²	39.3	53%	0.525	21%	0.209	S	C	.	.	H	α-helix	trans	-60.2	-46	173.7	-173.8	-177.4	169.9	-117.1	-3.8	111.4	P179 V181 A186 S187 V220 L223	P179-R183 VanDerWaalsContact O-CB 3.22Å; P179-R183 WeakPolarHBondContact O-CB 3.4Å; P179-R183 PolarHBondContact O-N 3.49Å; V181-R183 VanDerWaalsContact C-N 3.27Å; V181-R183 PolarHBondContact O-N 3.26Å; R183-A186 PolarHBondContact O-N 3Å; R183-S187 PolarHBondContact O-N 3.4Å; R183-S187 VanDerWaalsContact O-N 3.09Å; R183-V220 HydrophobicContact CB-CG2 4.14Å; R183-L223 HydrophobicContact CB-CD1 4.39Å; R183-L223 HydrophobicContact CG-CD1 3.35Å; R183-L223 VanDerWaalsContact O-CD1 3.24Å; R183-L223 WeakPolarHBondContact O-CD1 3.31Å
184	A	97.8	Very high	97.8	Very high	14 Å²	14	45 Å²	45	12%	0.116	23%	0.233	C	C	.	.	H	α-helix	trans	-68.3	-35.4	176.7	0	0	0	0	0	113	T145 C148 M180 V181 S187 K188	T145-A184 HydrophobicContact CG2-CB 3.63Å; C148-A184 HydrophobicContact CB-CB 4.18Å; M180-A184 PolarHBondContact O-N 3.31Å; M180-A184 VanDerWaalsContact O-N 3.11Å; V181-A184 PolarHBondContact O-N 2.94Å; V181-A184 VanDerWaalsContact O-N 3.09Å; A184-S187 PolarHBondContact O-OG 2.94Å; A184-K188 WeakPolarHBondContact O-CG 3.49Å; A184-K188 PolarHBondContact O-N 3.37Å
185	A	98.3	Very high	97.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-65	-44.1	173.3	0	0	0	0	0	111	F170 L173 V181 R182 S187 K188 L189	F170-A185 HydrophobicContact CZ-CB 4.47Å; L173-A185 HydrophobicContact CB-CB 4.45Å; V181-A185 PolarHBondContact O-N 3.41Å; R182-A185 PolarHBondContact O-N 3.01Å; A185-S187 PolarHBondContact O-N 3.02Å; A185-K188 CarbonylContact O-C 3.44Å; A185-K188 PolarHBondContact O-N 3.06Å; A185-K188 VanDerWaalsContact O-N 3.16Å; A185-L189 PolarHBondContact O-N 2.96Å
186	A	98.1	Very high	97.8	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.008	22%	0.22	C	C	.	.	H	α-helix	trans	-60.3	-42.9	177	0	0	0	0	0	112.6	R182 R183 K188 L189 L212 V220 L223	R182-A186 WeakPolarHBondContact O-CB 3.29Å; R182-A186 PolarHBondContact O-N 2.75Å; R183-A186 PolarHBondContact O-N 3Å; A186-K188 VanDerWaalsContact C-N 3.25Å; A186-K188 PolarHBondContact O-N 3.26Å; A186-L189 WeakPolarHBondContact O-CB 3.45Å; A186-L189 PolarHBondContact O-N 3.4Å; A186-L212 HydrophobicContact CB-CD1 4.06Å; A186-L212 HydrophobicContact CB-CD2 4.42Å; A186-V220 HydrophobicContact CB-CG1 4.18Å; A186-L223 HydrophobicContact CB-CB 3.94Å; A186-L223 HydrophobicContact CB-CD1 4.47Å
187	S	97.6	Very high	97.8	Very high	56 Å²	56	46 Å²	46	39%	0.392	23%	0.231	S	C	.	.	H	α-helix	trans	-67.5	-24.4	177.2	68.1	0	0	0	0	113.6	R183 A184 A185	R183-S187 PolarHBondContact O-N 3.4Å; R183-S187 VanDerWaalsContact O-N 3.09Å; A184-S187 PolarHBondContact O-OG 2.94Å; A185-S187 PolarHBondContact O-N 3.02Å
188	K	98.1	Very high	97.7	Very high	67 Å²	67	42.2 Å²	42.2	29%	0.291	21%	0.21	S	C	.	.	H	α-helix	trans	-97.4	-7.1	178.1	-61.7	-55.2	-175.3	-177.1	0	114.3	C148 A184 A185 A186 G190 E191 F192	C148-K188 HydrophobicContact CB-CB 4.49Å; C148-K188 HydrophobicContact CB-CG 4.24Å; C148-K188 WeakPolarHBondContact O-CB 3.32Å; A184-K188 WeakPolarHBondContact O-CG 3.49Å; A184-K188 PolarHBondContact O-N 3.37Å; A185-K188 CarbonylContact O-C 3.44Å; A185-K188 PolarHBondContact O-N 3.06Å; A185-K188 VanDerWaalsContact O-N 3.16Å; A186-K188 VanDerWaalsContact C-N 3.25Å; A186-K188 PolarHBondContact O-N 3.26Å; K188-G190 PolarHBondContact O-N 2.86Å; K188-E191 IonicContact NZ-OE2 2.71Å; K188-E191 PolarHBondContact NZ-OE2 2.94Å; K188-E191 PolarHBondContact O-N 3.45Å; K188-F192 WeakPolarHBondContact O-CB 3.31Å; K188-F192 PolarHBondContact O-N 3.49Å
189	L	98.3	Very high	97.7	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-58.3	-47.2	-178.7	-174.5	68.6	0	0	0	112.3	F170 A185 A186 F192 A193 I205 L208 F209 L212 A227 I231	F170-L189 HydrophobicContact CE1-CD1 3.63Å; F170-L189 HydrophobicContact CZ-CD1 4.3Å; A185-L189 PolarHBondContact O-N 2.96Å; A186-L189 WeakPolarHBondContact O-CB 3.45Å; A186-L189 PolarHBondContact O-N 3.4Å; L189-F192 PolarHBondContact O-N 3.1Å; L189-A193 WeakPolarHBondContact O-CB 3.22Å; L189-A193 PolarHBondContact O-N 2.96Å; L189-I205 HydrophobicContact CD1-CD1 4.01Å; L189-I205 HydrophobicContact CD1-CG2 4.06Å; L189-I205 HydrophobicContact CG-CG2 4.29Å; L189-L208 HydrophobicContact CD1-CB 4.26Å; L189-F209 HydrophobicContact CD2-CB 3.84Å; L189-F209 HydrophobicContact CD2-CD2 4.5Å; L189-L212 HydrophobicContact CD2-CD1 4.13Å; L189-A227 HydrophobicContact CB-CB 4.1Å; L189-A227 HydrophobicContact CD2-CB 3.98Å; L189-A227 HydrophobicContact CG-CB 4.32Å; L189-I231 HydrophobicContact CD2-CD1 4.27Å
190	G	97.3	Very high	97.7	Very high	4 Å²	4	48 Å²	48	4%	0.041	23%	0.228	C	C	.	.	H	α-helix	trans	-65.8	-38.2	179.9	0	0	0	0	0	113.2	K188 K194	K188-G190 PolarHBondContact O-N 2.86Å; G190-K194 WeakPolarHBondContact O-CG 3.27Å; G190-K194 PolarHBondContact O-N 3.4Å
191	E	97.5	Very high	97.8	Very high	54 Å²	54	43.2 Å²	43.2	25%	0.252	21%	0.205	S	C	.	.	H	α-helix	trans	-67.6	-43.4	175.7	-169.3	-164.9	142.4	0	0	111.5	R113 S152 K188 K194	R113-E191 IonicContact CZ-OE1 3.88Å; R113-E191 IonicContact NH1-OE1 2.73Å; R113-E191 PolarHBondContact NH1-OE1 3.09Å; R113-E191 IonicContact NH1-OE2 3.78Å; R113-E191 IonicContact NH2-OE1 3.1Å; R113-E191 PolarHBondContact NH2-OE1 3.2Å; R113-E191 IonicContact NH2-OE2 3.97Å; S152-E191 WeakPolarHBondContact CB-OE1 3.26Å; S152-E191 PolarHBondContact OG-OE1 3.34Å; K188-E191 IonicContact NZ-OE2 2.71Å; K188-E191 PolarHBondContact NZ-OE2 2.94Å; K188-E191 PolarHBondContact O-N 3.45Å; E191-K194 PolarHBondContact O-N 3.15Å
192	F	98.4	Very high	97.7	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.018	22%	0.219	C	C	.	.	H	α-helix	trans	-65	-44.8	177.7	-173.9	-134.5	0	0	0	110.9	F151 Y155 I166 R167 F170 K188 L189 K194 V195 L196 I205	F151-F192 HydrophobicContact CB-CD2 3.92Å; F151-F192 HydrophobicContact CB-CE2 3.81Å; F151-F192 HydrophobicContact CB-CZ 4.41Å; Y155-F192 AromaticContact CD2-CE2 3.96Å; Y155-F192 HydrophobicContact CD2-CE2 3.96Å; Y155-F192 HydrophobicContact CD2-CZ 4.26Å; Y155-F192 HydrophobicContact CG-CE2 4.14Å; I166-F192 HydrophobicContact CG2-CE2 3.85Å; I166-F192 HydrophobicContact CG2-CZ 3.68Å; R167-F192 HydrophobicContact CG-CZ 4.28Å; F170-F192 HydrophobicContact CB-CD1 4.36Å; F170-F192 HydrophobicContact CB-CE1 3.77Å; F170-F192 HydrophobicContact CB-CZ 4.35Å; F170-F192 AromaticContact CD1-CD1 3.57Å; F170-F192 HydrophobicContact CD1-CD1 3.57Å; F170-F192 AromaticContact CD1-CE1 3.72Å; F170-F192 HydrophobicContact CD1-CE1 3.72Å; F170-F192 HydrophobicContact CD2-CD1 4.01Å; F170-F192 HydrophobicContact CD2-CE1 4.23Å; F170-F192 AromaticContact CE1-CD1 3.78Å; F170-F192 HydrophobicContact CE1-CD1 3.78Å; F170-F192 HydrophobicContact CE1-CE1 4.39Å; F170-F192 HydrophobicContact CE2-CD1 4.19Å; F170-F192 AromaticContact CG-CD1 3.69Å; F170-F192 HydrophobicContact CG-CD1 3.69Å; F170-F192 AromaticContact CG-CE1 3.62Å; F170-F192 HydrophobicContact CG-CE1 3.62Å; F170-F192 HydrophobicContact CG-CZ 4.49Å; F170-F192 HydrophobicContact CZ-CB 4.39Å; F170-F192 HydrophobicContact CZ-CD1 4.08Å; K188-F192 WeakPolarHBondContact O-CB 3.31Å; K188-F192 PolarHBondContact O-N 3.49Å; L189-F192 PolarHBondContact O-N 3.1Å; F192-K194 PolarHBondContact O-N 3.26Å; F192-K194 VanDerWaalsContact O-N 3.1Å; F192-V195 HydrophobicContact CD2-CG2 4.07Å; F192-V195 WeakPolarHBondContact O-CG2 3.01Å; F192-V195 PolarHBondContact O-N 2.81Å; F192-L196 HydrophobicContact CD1-CD1 3.93Å; F192-L196 HydrophobicContact CD2-CD1 3.63Å; F192-L196 HydrophobicContact CE1-CD1 3.85Å; F192-L196 HydrophobicContact CE1-CD2 4.45Å; F192-L196 HydrophobicContact CE2-CD1 3.53Å; F192-L196 HydrophobicContact CG-CD1 3.83Å; F192-L196 HydrophobicContact CZ-CD1 3.65Å; F192-L196 WeakPolarHBondContact O-CD1 3.25Å; F192-I205 HydrophobicContact CD1-CD1 3.99Å; F192-I205 HydrophobicContact CE1-CD1 4.36Å
193	A	98.1	Very high	97.7	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.008	23%	0.234	C	C	.	.	H	α-helix	trans	-53.2	-35.7	177.3	0	0	0	0	0	113.3	L189 V195 L196 I205 I231 L234	L189-A193 WeakPolarHBondContact O-CB 3.22Å; L189-A193 PolarHBondContact O-N 2.96Å; A193-V195 PolarHBondContact O-N 3.45Å; A193-L196 PolarHBondContact O-N 2.84Å; A193-I205 HydrophobicContact CB-CG1 4.26Å; A193-I205 HydrophobicContact CB-CG2 3.97Å; A193-I231 HydrophobicContact CB-CG1 4.3Å; A193-L234 HydrophobicContact CB-CD1 3.79Å
194	K	97.8	Very high	97.6	Very high	120 Å²	120	42.9 Å²	42.9	52%	0.522	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-22.3	179.9	-72.2	171.5	-177.2	176.4	0	114.2	G190 E191 F192 L234	G190-K194 WeakPolarHBondContact O-CG 3.27Å; G190-K194 PolarHBondContact O-N 3.4Å; E191-K194 PolarHBondContact O-N 3.15Å; F192-K194 PolarHBondContact O-N 3.26Å; F192-K194 VanDerWaalsContact O-N 3.1Å; K194-L234 HydrophobicContact CG-CD1 4.01Å; K194-L234 HydrophobicContact CG-CD2 4.19Å; K194-L234 HydrophobicContact CG-CG 4.49Å
195	V	97.8	Very high	97.6	Very high	46 Å²	46	42.2 Å²	42.2	28%	0.279	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-2.7	-179.3	-59	0	0	0	0	113.5	Y155 P156 F192 A193	Y155-V195 HydrophobicContact CD1-CG2 4.13Å; Y155-V195 VanDerWaalsContact CD1-O 3.28Å; Y155-V195 WeakPolarHBondContact CD1-O 3.48Å; Y155-V195 WeakPolarHBondContact CE1-O 3.38Å; Y155-V195 HydrophobicContact CG-CG2 4.41Å; P156-V195 HydrophobicContact CG-CB 4.04Å; P156-V195 HydrophobicContact CG-CG1 4.23Å; F192-V195 HydrophobicContact CD2-CG2 4.07Å; F192-V195 WeakPolarHBondContact O-CG2 3.01Å; F192-V195 PolarHBondContact O-N 2.81Å; A193-V195 PolarHBondContact O-N 3.45Å
196	L	97.9	Very high	97.6	Very high	16 Å²	16	42.9 Å²	42.9	8%	0.084	21%	0.213	C	C	.	.	S	Bend	trans	-84.7	150.5	176.7	-88.4	74.4	0	0	0	111.4	Y155 R167 F192 A193 V201 I205	Y155-L196 HydrophobicContact CD1-CD1 4.49Å; Y155-L196 HydrophobicContact CE1-CD1 4.31Å; Y155-L196 HydrophobicContact CE1-CG 4.09Å; R167-L196 HydrophobicContact CG-CD2 4.31Å; F192-L196 HydrophobicContact CD1-CD1 3.93Å; F192-L196 HydrophobicContact CD2-CD1 3.63Å; F192-L196 HydrophobicContact CE1-CD1 3.85Å; F192-L196 HydrophobicContact CE1-CD2 4.45Å; F192-L196 HydrophobicContact CE2-CD1 3.53Å; F192-L196 HydrophobicContact CG-CD1 3.83Å; F192-L196 HydrophobicContact CZ-CD1 3.65Å; F192-L196 WeakPolarHBondContact O-CD1 3.25Å; A193-L196 PolarHBondContact O-N 2.84Å; L196-V201 HydrophobicContact CB-CG2 3.85Å; L196-I205 HydrophobicContact CD2-CD1 3.85Å; L196-I205 HydrophobicContact CD2-CG1 3.71Å
197	E	97.8	Very high	97.6	Very high	72 Å²	72	46.3 Å²	46.3	34%	0.336	24%	0.235	S	C	.	.			trans	-63.1	141.6	165.2	-58.4	82.1	176.6	0	0	110.1	Y155 K163 E199 Y200 V201	Y155-E197 WeakPolarHBondContact CE1-OE2 3.23Å; Y155-E197 PolarHBondContact OH-OE2 3.39Å; K163-E197 IonicContact NZ-OE1 3.06Å; K163-E197 PolarHBondContact NZ-OE1 3.33Å; E197-E199 PolarHBondContact O-N 3.01Å; E197-E199 VanDerWaalsContact O-N 3.08Å; E197-Y200 HydrophobicContact CB-CD2 4.03Å; E197-Y200 PolarHBondContact O-N 3.16Å; E197-Y200 WeakPolarHBondContact OE2-CD2 3.31Å; E197-V201 PolarHBondContact O-N 3.48Å; E197-V201 VanDerWaalsContact O-N 3.09Å
198	L	96.4	Very high	97.6	Very high	77 Å²	77	44.6 Å²	44.6	40%	0.403	22%	0.222	S	C	.	.	H	α-helix	trans	-54.1	-35.1	-173.2	-177.9	63.6	0	0	0	113.4	Y200 V201 K202 L235 P236	L198-Y200 VanDerWaalsContact C-N 3.34Å; L198-Y200 PolarHBondContact O-N 3.03Å; L198-V201 PolarHBondContact O-N 3.21Å; L198-K202 PolarHBondContact O-N 3.1Å; L198-K202 VanDerWaalsContact O-N 3.09Å; L198-L235 HydrophobicContact CD1-CD2 3.9Å; L198-P236 HydrophobicContact CD2-CG 4.3Å
199	E	96.9	Very high	97.6	Very high	132 Å²	132	41.5 Å²	41.5	62%	0.617	21%	0.209	S	C	*	.	H	α-helix	trans	-55.6	-48.5	174.4	-176.1	179.2	171.9	0	0	111.5	E197 K202 T203	E197-E199 PolarHBondContact O-N 3.01Å; E197-E199 VanDerWaalsContact O-N 3.08Å; E199-K202 PolarHBondContact O-N 3.31Å; E199-T203 WeakPolarHBondContact O-CG2 3.14Å; E199-T203 PolarHBondContact O-N 3.42Å; E199-T203 PolarHBondContact O-OG1 3.34Å
200	Y	97.6	Very high	97.6	Very high	70 Å²	70	44 Å²	44	28%	0.275	22%	0.224	S	C	.	.	H	α-helix	trans	-77.2	-23.4	-179.8	-58.1	-53.8	0	0	0	113.1	E197 L198 K202 D204 I205	E197-Y200 HydrophobicContact CB-CD2 4.03Å; E197-Y200 PolarHBondContact O-N 3.16Å; E197-Y200 WeakPolarHBondContact OE2-CD2 3.31Å; L198-Y200 VanDerWaalsContact C-N 3.34Å; L198-Y200 PolarHBondContact O-N 3.03Å; Y200-K202 VanDerWaalsContact C-N 3.29Å; Y200-D204 WeakPolarHBondContact O-CA 3.46Å; Y200-D204 VanDerWaalsContact O-CB 3.31Å; Y200-D204 WeakPolarHBondContact O-CB 3.35Å; Y200-D204 PolarHBondContact O-N 3.49Å; Y200-I205 PolarHBondContact O-N 2.96Å; Y200-I205 VanDerWaalsContact O-N 3.11Å
201	V	97.7	Very high	97.7	Very high	3 Å²	3	46.8 Å²	46.8	2%	0.018	25%	0.246	C	C	.	.	I	π-helix	trans	-59.8	-46.2	166.4	179.7	0	0	0	0	109.4	L196 E197 L198 I205 I206 L235	L196-V201 HydrophobicContact CB-CG2 3.85Å; E197-V201 PolarHBondContact O-N 3.48Å; E197-V201 VanDerWaalsContact O-N 3.09Å; L198-V201 PolarHBondContact O-N 3.21Å; V201-I205 HydrophobicContact CG1-CB 4.42Å; V201-I205 WeakPolarHBondContact O-CB 3.48Å; V201-I205 PolarHBondContact O-N 3.22Å; V201-I206 WeakPolarHBondContact O-CG1 3.33Å; V201-I206 PolarHBondContact O-N 3.19Å; V201-I206 VanDerWaalsContact O-N 3.12Å; V201-L235 HydrophobicContact CG1-CD2 4.09Å
202	K	97.1	Very high	97.7	Very high	66 Å²	66	44.3 Å²	44.3	29%	0.287	24%	0.235	S	C	.	.	I	π-helix	trans	-69	-47.3	178.5	-65.1	-176.3	-179	-161.4	0	112.9	L198 E199 Y200 L235 D239 L243	L198-K202 PolarHBondContact O-N 3.1Å; L198-K202 VanDerWaalsContact O-N 3.09Å; E199-K202 PolarHBondContact O-N 3.31Å; Y200-K202 VanDerWaalsContact C-N 3.29Å; K202-L235 HydrophobicContact CG-CD2 3.85Å; K202-D239 WeakPolarHBondContact CE-OD2 3.39Å; K202-D239 IonicContact NZ-OD1 2.84Å; K202-D239 PolarHBondContact NZ-OD1 3.17Å; K202-D239 IonicContact NZ-OD2 3.21Å; K202-D239 PolarHBondContact NZ-OD2 3.46Å; K202-L243 HydrophobicContact CB-CD1 4.47Å; K202-L243 HydrophobicContact CD-CD1 4.46Å; K202-L243 HydrophobicContact CG-CD1 4.07Å
203	T	96.8	Very high	97.7	Very high	72 Å²	72	44.5 Å²	44.5	44%	0.442	24%	0.237	S	C	.	.	I	π-helix	trans	-84.7	-33.8	-171.7	64.2	0	0	0	0	114.1	E199 P207	E199-T203 WeakPolarHBondContact O-CG2 3.14Å; E199-T203 PolarHBondContact O-N 3.42Å; E199-T203 PolarHBondContact O-OG1 3.34Å; T203-P207 WeakPolarHBondContact O-CG 3.42Å
204	D	96.5	Very high	97.6	Very high	24 Å²	24	47.2 Å²	47.2	13%	0.128	26%	0.256	C	S	.	.	I	π-helix	trans	-106.7	-46.5	-174	-66	-21.5	0	0	0	112	R167 R171 Y200 L208	R167-D204 VanDerWaalsContact CD-OD2 3.23Å; R167-D204 WeakPolarHBondContact CD-OD2 3.45Å; R167-D204 IonicContact CZ-OD2 3.23Å; R167-D204 IonicContact NE-OD2 2.8Å; R167-D204 PolarHBondContact NE-OD2 3.11Å; R171-D204 IonicContact NH2-OD1 2.75Å; R171-D204 PolarHBondContact NH2-OD1 2.8Å; Y200-D204 WeakPolarHBondContact O-CA 3.46Å; Y200-D204 VanDerWaalsContact O-CB 3.31Å; Y200-D204 WeakPolarHBondContact O-CB 3.35Å; Y200-D204 PolarHBondContact O-N 3.49Å; D204-L208 VanDerWaalsContact O-CG 3.28Å; D204-L208 WeakPolarHBondContact O-CG 3.16Å
205	I	98	Very high	97.7	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	24%	0.236	C	C	.	.	I	π-helix	trans	-74	-43	-174.9	-60.8	-63.8	0	0	0	112.3	L189 F192 A193 L196 Y200 V201 L208 F209 I231	L189-I205 HydrophobicContact CD1-CD1 4.01Å; L189-I205 HydrophobicContact CD1-CG2 4.06Å; L189-I205 HydrophobicContact CG-CG2 4.29Å; F192-I205 HydrophobicContact CD1-CD1 3.99Å; F192-I205 HydrophobicContact CE1-CD1 4.36Å; A193-I205 HydrophobicContact CB-CG1 4.26Å; A193-I205 HydrophobicContact CB-CG2 3.97Å; L196-I205 HydrophobicContact CD2-CD1 3.85Å; L196-I205 HydrophobicContact CD2-CG1 3.71Å; Y200-I205 PolarHBondContact O-N 2.96Å; Y200-I205 VanDerWaalsContact O-N 3.11Å; V201-I205 HydrophobicContact CG1-CB 4.42Å; V201-I205 WeakPolarHBondContact O-CB 3.48Å; V201-I205 PolarHBondContact O-N 3.22Å; I205-L208 PolarHBondContact O-N 3.4Å; I205-L208 VanDerWaalsContact O-N 3.14Å; I205-F209 WeakPolarHBondContact O-CB 3.22Å; I205-F209 PolarHBondContact O-N 3.17Å; I205-I231 HydrophobicContact CG2-CD1 3.73Å; I205-I231 HydrophobicContact CG2-CG1 4.03Å
206	I	98.1	Very high	97.6	Very high	13 Å²	13	48.2 Å²	48.2	7%	0.067	26%	0.26	C	S	.	.	H	α-helix	trans	-58.6	-46.8	-178.2	-66.4	-64.9	0	0	0	112.7	V201 L208 F209 T210 I231 L235 L243 V244	V201-I206 WeakPolarHBondContact O-CG1 3.33Å; V201-I206 PolarHBondContact O-N 3.19Å; V201-I206 VanDerWaalsContact O-N 3.12Å; I206-L208 VanDerWaalsContact C-N 3.31Å; I206-L208 PolarHBondContact O-N 2.97Å; I206-F209 HydrophobicContact CD1-CD1 4.45Å; I206-F209 WeakPolarHBondContact O-CB 3.42Å; I206-F209 PolarHBondContact O-N 3.01Å; I206-T210 PolarHBondContact O-N 3.3Å; I206-T210 PolarHBondContact O-OG1 3.21Å; I206-T210 VanDerWaalsContact O-OG1 3.1Å; I206-I231 HydrophobicContact CD1-CG2 3.6Å; I206-L235 HydrophobicContact CD1-CD1 4.02Å; I206-L243 HydrophobicContact CD1-CB 4.09Å; I206-L243 HydrophobicContact CG1-CB 4.24Å; I206-L243 HydrophobicContact CG1-CD1 4.32Å; I206-L243 HydrophobicContact CG2-CB 4.26Å; I206-L243 HydrophobicContact CG2-CD2 4.42Å; I206-V244 HydrophobicContact CD1-CG2 4.43Å
207	P	98.2	Very high	97.6	Very high	73 Å²	73	51.2 Å²	51.2	47%	0.474	27%	0.274	S	S	.	.	H	α-helix	trans	-59.5	-39.3	174.5	-27.3	36.6	0	0	0	113.8	T203 A211	T203-P207 WeakPolarHBondContact O-CG 3.42Å; P207-A211 WeakPolarHBondContact O-CB 3.42Å; P207-A211 PolarHBondContact O-N 2.79Å
208	L	98.3	Very high	97.5	Very high	20 Å²	20	49.9 Å²	49.9	11%	0.105	27%	0.269	C	S	.	.	H	α-helix	trans	-66.5	-43.6	177.4	-65.1	178.1	0	0	0	111.7	F170 R171 C174 L189 D204 I205 I206 A211 L212	F170-L208 HydrophobicContact CD1-CD1 4.11Å; R171-L208 HydrophobicContact CB-CD1 4.35Å; R171-L208 HydrophobicContact CB-CD2 4.16Å; R171-L208 HydrophobicContact CG-CD2 4Å; C174-L208 HydrophobicContact CB-CD2 3.87Å; L189-L208 HydrophobicContact CD1-CB 4.26Å; D204-L208 VanDerWaalsContact O-CG 3.28Å; D204-L208 WeakPolarHBondContact O-CG 3.16Å; I205-L208 PolarHBondContact O-N 3.4Å; I205-L208 VanDerWaalsContact O-N 3.14Å; I206-L208 VanDerWaalsContact C-N 3.31Å; I206-L208 PolarHBondContact O-N 2.97Å; L208-A211 PolarHBondContact O-N 3.34Å; L208-L212 WeakPolarHBondContact O-CB 3.43Å; L208-L212 WeakPolarHBondContact O-CG 3.5Å; L208-L212 PolarHBondContact O-N 3.12Å
209	F	98.4	Very high	97.5	Very high	3 Å²	3	47.6 Å²	47.6	1%	0.013	26%	0.259	C	S	.	.	H	α-helix	trans	-57	-51.2	174.5	164	-120.8	0	0	0	111.3	L189 I205 I206 A211 L212 A213 A224 C228 I231 T247	L189-F209 HydrophobicContact CD2-CB 3.84Å; L189-F209 HydrophobicContact CD2-CD2 4.5Å; I205-F209 WeakPolarHBondContact O-CB 3.22Å; I205-F209 PolarHBondContact O-N 3.17Å; I206-F209 HydrophobicContact CD1-CD1 4.45Å; I206-F209 WeakPolarHBondContact O-CB 3.42Å; I206-F209 PolarHBondContact O-N 3.01Å; F209-A211 VanDerWaalsContact C-N 3.35Å; F209-A211 PolarHBondContact O-N 3.36Å; F209-L212 PolarHBondContact O-N 3.45Å; F209-A213 HydrophobicContact CE2-CB 4.47Å; F209-A213 VanDerWaalsContact O-CB 3.25Å; F209-A213 WeakPolarHBondContact O-CB 3.45Å; F209-A213 PolarHBondContact O-N 2.98Å; F209-A224 HydrophobicContact CD2-CB 4.35Å; F209-A224 HydrophobicContact CE2-CB 4.21Å; F209-A224 WeakPolarHBondContact CE2-O 3.35Å; F209-C228 HydrophobicContact CE2-CB 3.8Å; F209-C228 HydrophobicContact CZ-CB 3.77Å; F209-I231 HydrophobicContact CB-CD1 3.75Å; F209-I231 HydrophobicContact CD1-CD1 4.32Å; F209-I231 HydrophobicContact CD2-CD1 4.03Å; F209-I231 HydrophobicContact CG-CD1 3.77Å; F209-T247 HydrophobicContact CD1-CG2 4.32Å; F209-T247 HydrophobicContact CE1-CG2 3.6Å; F209-T247 HydrophobicContact CE2-CG2 3.93Å; F209-T247 HydrophobicContact CZ-CG2 3.36Å
210	T	98.1	Very high	97.6	Very high	53 Å²	53	41.3 Å²	41.3	33%	0.325	23%	0.23	S	C	.	.	H	α-helix	trans	-62.7	-40.5	179.6	-58.6	0	0	0	0	112.1	I206 S214 T247	I206-T210 PolarHBondContact O-N 3.3Å; I206-T210 PolarHBondContact O-OG1 3.21Å; I206-T210 VanDerWaalsContact O-OG1 3.1Å; T210-S214 PolarHBondContact O-N 2.97Å; T210-S214 PolarHBondContact O-OG 3.31Å; T210-T247 PolarHBondContact OG1-OG1 3.33Å
211	A	98.1	Very high	97.6	Very high	62 Å²	62	38.5 Å²	38.5	51%	0.512	22%	0.219	S	C	.	.	H	α-helix	trans	-63.7	-48	177	0	0	0	0	0	112.1	P207 L208 F209 A213 S214 D215	P207-A211 WeakPolarHBondContact O-CB 3.42Å; P207-A211 PolarHBondContact O-N 2.79Å; L208-A211 PolarHBondContact O-N 3.34Å; F209-A211 VanDerWaalsContact C-N 3.35Å; F209-A211 PolarHBondContact O-N 3.36Å; A211-A213 VanDerWaalsContact C-N 3.35Å; A211-A213 PolarHBondContact O-N 3.16Å; A211-S214 CarbonylContact O-C 3.6Å; A211-S214 PolarHBondContact O-N 2.8Å; A211-S214 VanDerWaalsContact O-N 3.12Å; A211-D215 PolarHBondContact O-N 3.12Å
212	L	98.1	Very high	97.6	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.016	22%	0.223	C	C	.	.	H	α-helix	trans	-67.4	-34.5	178.9	-70.5	167.5	0	0	0	112.5	C174 R182 A186 L189 L208 F209 S214 D215 V220	C174-L212 HydrophobicContact CB-CD1 4.19Å; C174-L212 HydrophobicContact CB-CD2 4.46Å; C174-L212 HydrophobicContact CB-CG 4.47Å; C174-L212 WeakPolarHBondContact O-CD2 3.49Å; R182-L212 HydrophobicContact CB-CD2 4.26Å; A186-L212 HydrophobicContact CB-CD1 4.06Å; A186-L212 HydrophobicContact CB-CD2 4.42Å; L189-L212 HydrophobicContact CD2-CD1 4.13Å; L208-L212 WeakPolarHBondContact O-CB 3.43Å; L208-L212 WeakPolarHBondContact O-CG 3.5Å; L208-L212 PolarHBondContact O-N 3.12Å; F209-L212 PolarHBondContact O-N 3.45Å; L212-S214 PolarHBondContact O-N 2.71Å; L212-D215 VanDerWaalsContact O-CB 3.3Å; L212-D215 WeakPolarHBondContact O-CB 3.48Å; L212-D215 PolarHBondContact O-N 3.26Å; L212-V220 HydrophobicContact CB-CG1 4.4Å; L212-V220 HydrophobicContact CD2-CG1 3.71Å
213	A	97.8	Very high	97.6	Very high	8 Å²	8	37.3 Å²	37.3	7%	0.066	22%	0.215	C	C	.	.	H	α-helix	trans	-69	-17.1	174	0	0	0	0	0	113.2	F209 A211 R221 A224 T247	F209-A213 HydrophobicContact CE2-CB 4.47Å; F209-A213 VanDerWaalsContact O-CB 3.25Å; F209-A213 WeakPolarHBondContact O-CB 3.45Å; F209-A213 PolarHBondContact O-N 2.98Å; A211-A213 VanDerWaalsContact C-N 3.35Å; A211-A213 PolarHBondContact O-N 3.16Å; A213-R221 WeakPolarHBondContact O-CD 2.91Å; A213-R221 WeakPolarHBondContact O-CG 3.44Å; A213-A224 HydrophobicContact CB-CB 3.76Å; A213-T247 HydrophobicContact CB-CG2 3.18Å
214	S	97.4	Very high	97.6	Very high	58 Å²	58	34 Å²	34	41%	0.406	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	14.4	174.1	-66.2	0	0	0	0	113.1	T210 A211 L212 Q250	T210-S214 PolarHBondContact O-N 2.97Å; T210-S214 PolarHBondContact O-OG 3.31Å; A211-S214 CarbonylContact O-C 3.6Å; A211-S214 PolarHBondContact O-N 2.8Å; A211-S214 VanDerWaalsContact O-N 3.12Å; L212-S214 PolarHBondContact O-N 2.71Å; S214-Q250 PolarHBondContact OG-NE2 2.85Å; S214-Q250 PolarHBondContact OG-OE1 3.13Å
215	D	98.3	Very high	97.6	Very high	19 Å²	19	33 Å²	33	10%	0.102	19%	0.19	C	C	.	.			trans	-58.7	149	179.8	-161.5	-73.8	0	0	0	111.8	R182 A211 L212 Q217 V220 R221	R182-D215 IonicContact CZ-OD1 2.87Å; R182-D215 IonicContact CZ-OD2 3.67Å; R182-D215 IonicContact NE-OD1 2.81Å; R182-D215 IonicContact NE-OD2 3.57Å; R182-D215 PolarHBondContact NE-OD2 2.94Å; R182-D215 IonicContact NH2-OD1 3.91Å; R182-D215 PolarHBondContact NH2-OD1 3.02Å; R182-D215 IonicContact NH2-OD2 2.87Å; R182-D215 PolarHBondContact NH2-OD2 2.69Å; A211-D215 PolarHBondContact O-N 3.12Å; L212-D215 VanDerWaalsContact O-CB 3.3Å; L212-D215 WeakPolarHBondContact O-CB 3.48Å; L212-D215 PolarHBondContact O-N 3.26Å; D215-Q217 PolarHBondContact O-N 3.3Å; D215-Q217 WeakPolarHBondContact OD1-CB 3.5Å; D215-Q217 PolarHBondContact OD1-N 3.26Å; D215-V220 HydrophobicContact CB-CB 3.93Å; D215-V220 HydrophobicContact CB-CG1 3.85Å; D215-R221 HydrophobicContact CB-CG 4.03Å; D215-R221 WeakPolarHBondContact O-CD 3.39Å; D215-R221 VanDerWaalsContact O-CG 3.24Å; D215-R221 WeakPolarHBondContact O-CG 3.44Å; D215-R221 PolarHBondContact O-NH1 2.86Å
216	E	96.4	Very high	97.3	Very high	167 Å²	167	37.7 Å²	37.7	78%	0.78	21%	0.212	S	C	*	.	S	Bend	trans	-61.6	-32.6	176.9	-60.8	-173.8	162.2	0	0	112.1	R221	E216-R221 PolarHBondContact O-NH1 3.38Å; E216-R221 VanDerWaalsContact O-NH1 3.1Å
217	Q	97.7	Very high	97.2	Very high	79 Å²	79	37.2 Å²	37.2	37%	0.369	21%	0.21	S	C	.	.			trans	-88.1	121.5	-177.8	-60.1	-63.4	-32.8	0	0	111.4	P179 D215 S219 V220 R221	P179-Q217 HydrophobicContact CB-CG 4.1Å; P179-Q217 HydrophobicContact CG-CG 4.15Å; D215-Q217 PolarHBondContact O-N 3.3Å; D215-Q217 WeakPolarHBondContact OD1-CB 3.5Å; D215-Q217 PolarHBondContact OD1-N 3.26Å; Q217-S219 PolarHBondContact O-N 3.36Å; Q217-V220 HydrophobicContact CB-CB 4.46Å; Q217-V220 HydrophobicContact CB-CG2 3.99Å; Q217-V220 PolarHBondContact O-N 2.93Å; Q217-V220 VanDerWaalsContact O-N 3.09Å; Q217-R221 PolarHBondContact O-N 3.42Å
218	D	96.3	Very high	97.2	Very high	44 Å²	44	33.8 Å²	33.8	24%	0.235	19%	0.188	C	C	.	.	H	α-helix	trans	-62	-33.7	178.3	72.1	-25.1	0	0	0	112.5	V220 R221 L222 S256 R258	D218-V220 PolarHBondContact O-N 2.71Å; D218-R221 PolarHBondContact O-N 3.41Å; D218-L222 WeakPolarHBondContact O-CB 3.47Å; D218-L222 WeakPolarHBondContact O-CD2 3.46Å; D218-L222 PolarHBondContact O-N 3.44Å; D218-S256 PolarHBondContact OD2-OG 3.25Å; D218-R258 IonicContact OD2-NH1 3.93Å
219	S	96.6	Very high	97.1	Very high	29 Å²	29	34.1 Å²	34.1	20%	0.203	19%	0.19	C	C	.	.	H	α-helix	trans	-59.4	-23.2	175	65.2	0	0	0	0	114.5	Q217	Q217-S219 PolarHBondContact O-N 3.36Å
220	V	98.1	Very high	97	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-89.1	-49.7	172.9	-179.3	0	0	0	0	109.7	R182 R183 A186 L212 D215 Q217 D218 L222 L223 A224	R182-V220 HydrophobicContact CB-CG1 4.34Å; R182-V220 HydrophobicContact CB-CG2 4.24Å; R183-V220 HydrophobicContact CB-CG2 4.14Å; A186-V220 HydrophobicContact CB-CG1 4.18Å; L212-V220 HydrophobicContact CB-CG1 4.4Å; L212-V220 HydrophobicContact CD2-CG1 3.71Å; D215-V220 HydrophobicContact CB-CB 3.93Å; D215-V220 HydrophobicContact CB-CG1 3.85Å; Q217-V220 HydrophobicContact CB-CB 4.46Å; Q217-V220 HydrophobicContact CB-CG2 3.99Å; Q217-V220 PolarHBondContact O-N 2.93Å; Q217-V220 VanDerWaalsContact O-N 3.09Å; D218-V220 PolarHBondContact O-N 2.71Å; V220-L222 VanDerWaalsContact C-N 3.27Å; V220-L222 PolarHBondContact O-N 2.72Å; V220-L223 PolarHBondContact O-N 3.48Å; V220-L223 VanDerWaalsContact O-N 3.07Å; V220-A224 PolarHBondContact O-N 3.19Å
221	R	98.2	Very high	97	Very high	11 Å²	11	32.4 Å²	32.4	4%	0.042	18%	0.181	C	C	.	.	H	α-helix	trans	-55.7	-39.6	-179.1	-63.8	-159.4	-57.4	-71	-2.4	113	A213 D215 E216 Q217 D218 L223 A224 D254 V259	A213-R221 WeakPolarHBondContact O-CD 2.91Å; A213-R221 WeakPolarHBondContact O-CG 3.44Å; D215-R221 HydrophobicContact CB-CG 4.03Å; D215-R221 WeakPolarHBondContact O-CD 3.39Å; D215-R221 VanDerWaalsContact O-CG 3.24Å; D215-R221 WeakPolarHBondContact O-CG 3.44Å; D215-R221 PolarHBondContact O-NH1 2.86Å; E216-R221 PolarHBondContact O-NH1 3.38Å; E216-R221 VanDerWaalsContact O-NH1 3.1Å; Q217-R221 PolarHBondContact O-N 3.42Å; D218-R221 PolarHBondContact O-N 3.41Å; R221-L223 PolarHBondContact O-N 3.04Å; R221-A224 VanDerWaalsContact O-CB 3.27Å; R221-A224 WeakPolarHBondContact O-CB 2.94Å; R221-A224 PolarHBondContact O-N 2.63Å; R221-D254 IonicContact CZ-OD1 3.45Å; R221-D254 IonicContact CZ-OD2 2.6Å; R221-D254 IonicContact NE-OD1 2.84Å; R221-D254 IonicContact NE-OD2 3.84Å; R221-D254 PolarHBondContact NE-OD2 3.08Å; R221-D254 IonicContact NH2-OD1 3.56Å; R221-D254 PolarHBondContact NH2-OD1 3.32Å; R221-D254 IonicContact NH2-OD2 2.89Å; R221-V259 HydrophobicContact CB-CG2 3.86Å
222	L	96.8	Very high	96.9	Very high	22 Å²	22	29.5 Å²	29.5	12%	0.115	16%	0.157	C	C	.	.	H	α-helix	trans	-64	-29.6	-178.4	77.2	91.2	0	0	0	112.8	D218 V220 A224 V225 V259 M262	D218-L222 WeakPolarHBondContact O-CB 3.47Å; D218-L222 WeakPolarHBondContact O-CD2 3.46Å; D218-L222 PolarHBondContact O-N 3.44Å; V220-L222 VanDerWaalsContact C-N 3.27Å; V220-L222 PolarHBondContact O-N 2.72Å; L222-A224 VanDerWaalsContact C-N 3.35Å; L222-V225 PolarHBondContact O-N 3.08Å; L222-V259 HydrophobicContact CB-CG2 4.12Å; L222-M262 HydrophobicContact CB-CG 3.82Å; L222-M262 HydrophobicContact CD1-CG 3.93Å; L222-M262 HydrophobicContact CD1-SD 4.35Å; L222-M262 HydrophobicContact CG-CG 4.47Å
223	L	97.3	Very high	96.9	Very high	22 Å²	22	33.5 Å²	33.5	12%	0.115	18%	0.182	C	C	.	.	H	α-helix	trans	-77.5	-22.4	176.5	-65.4	173.3	0	0	0	112.4	R183 A186 V220 R221 V225 E226 A227	R183-L223 HydrophobicContact CB-CD1 4.39Å; R183-L223 HydrophobicContact CG-CD1 3.35Å; R183-L223 VanDerWaalsContact O-CD1 3.24Å; R183-L223 WeakPolarHBondContact O-CD1 3.31Å; A186-L223 HydrophobicContact CB-CB 3.94Å; A186-L223 HydrophobicContact CB-CD1 4.47Å; V220-L223 PolarHBondContact O-N 3.48Å; V220-L223 VanDerWaalsContact O-N 3.07Å; R221-L223 PolarHBondContact O-N 3.04Å; L223-V225 PolarHBondContact O-N 2.89Å; L223-E226 PolarHBondContact O-N 3.44Å; L223-A227 PolarHBondContact O-N 3.41Å
224	A	96.6	Very high	96.8	Very high	2 Å²	2	35.9 Å²	35.9	2%	0.017	19%	0.193	C	C	.	.	H	α-helix	trans	-63.5	-27.4	174.1	0	0	0	0	0	111.7	F209 A213 V220 R221 L222 E226 A227 C228	F209-A224 HydrophobicContact CD2-CB 4.35Å; F209-A224 HydrophobicContact CE2-CB 4.21Å; F209-A224 WeakPolarHBondContact CE2-O 3.35Å; A213-A224 HydrophobicContact CB-CB 3.76Å; V220-A224 PolarHBondContact O-N 3.19Å; R221-A224 VanDerWaalsContact O-CB 3.27Å; R221-A224 WeakPolarHBondContact O-CB 2.94Å; R221-A224 PolarHBondContact O-N 2.63Å; L222-A224 VanDerWaalsContact C-N 3.35Å; A224-E226 PolarHBondContact O-N 3.21Å; A224-A227 PolarHBondContact O-N 3.33Å; A224-C228 WeakPolarHBondContact O-CB 3.45Å; A224-C228 PolarHBondContact O-N 3.01Å
225	V	96.4	Very high	96.7	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.024	18%	0.176	C	C	.	.	H	α-helix	trans	-64.1	-39.4	175.3	-176.9	0	0	0	0	111.6	L222 L223 C228 V229 A251 V259 M262 V263 K266 L270	L222-V225 PolarHBondContact O-N 3.08Å; L223-V225 PolarHBondContact O-N 2.89Å; V225-C228 VanDerWaalsContact O-CB 3.24Å; V225-C228 WeakPolarHBondContact O-CB 3.41Å; V225-C228 PolarHBondContact O-N 3.24Å; V225-V229 PolarHBondContact O-N 2.88Å; V225-A251 HydrophobicContact CG2-CB 4.19Å; V225-V259 HydrophobicContact CG2-CG1 4.28Å; V225-M262 HydrophobicContact CB-CB 4.16Å; V225-M262 HydrophobicContact CG1-CB 4.33Å; V225-M262 HydrophobicContact CG2-CB 4.18Å; V225-V263 HydrophobicContact CG1-CG2 3.99Å; V225-V263 HydrophobicContact CG2-CG2 3.88Å; V225-K266 HydrophobicContact CG1-CB 4.41Å; V225-L270 HydrophobicContact CG1-CD1 4.35Å
226	E	93.2	Very high	96.6	Very high	99 Å²	99	35 Å²	35	46%	0.463	19%	0.186	S	C	.	.	H	α-helix	trans	-69	-39.5	175.8	-174.4	173.2	-177.3	0	0	111.6	L223 A224 C228 V229 S230	L223-E226 PolarHBondContact O-N 3.44Å; A224-E226 PolarHBondContact O-N 3.21Å; E226-C228 VanDerWaalsContact C-N 3.29Å; E226-C228 PolarHBondContact O-N 3.21Å; E226-V229 PolarHBondContact O-N 3.03Å; E226-S230 PolarHBondContact O-N 3.06Å
227	A	95.8	Very high	96.4	Very high	3 Å²	3	31.9 Å²	31.9	3%	0.025	17%	0.172	C	C	.	.	H	α-helix	trans	-62.6	-37	172.2	0	0	0	0	0	111.9	L189 L223 A224 V229 S230 I231	L189-A227 HydrophobicContact CB-CB 4.1Å; L189-A227 HydrophobicContact CD2-CB 3.98Å; L189-A227 HydrophobicContact CG-CB 4.32Å; L223-A227 PolarHBondContact O-N 3.41Å; A224-A227 PolarHBondContact O-N 3.33Å; A227-V229 VanDerWaalsContact C-N 3.33Å; A227-V229 PolarHBondContact O-N 3.42Å; A227-S230 PolarHBondContact O-N 3.43Å; A227-S230 VanDerWaalsContact O-N 3.13Å; A227-I231 HydrophobicContact CB-CD1 4.39Å; A227-I231 WeakPolarHBondContact O-CB 3.47Å; A227-I231 VanDerWaalsContact O-CG1 3.29Å; A227-I231 WeakPolarHBondContact O-CG1 3.29Å; A227-I231 PolarHBondContact O-N 3.37Å
228	C	97.2	Very high	96.3	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.014	19%	0.19	C	C	.	.	H	α-helix	trans	-56	-45.6	177.5	-174.2	0	0	0	0	111.5	F209 A224 V225 E226 S230 I231 A232 V244 L270	F209-C228 HydrophobicContact CE2-CB 3.8Å; F209-C228 HydrophobicContact CZ-CB 3.77Å; A224-C228 WeakPolarHBondContact O-CB 3.45Å; A224-C228 PolarHBondContact O-N 3.01Å; V225-C228 VanDerWaalsContact O-CB 3.24Å; V225-C228 WeakPolarHBondContact O-CB 3.41Å; V225-C228 PolarHBondContact O-N 3.24Å; E226-C228 VanDerWaalsContact C-N 3.29Å; E226-C228 PolarHBondContact O-N 3.21Å; C228-S230 PolarHBondContact O-N 3Å; C228-I231 PolarHBondContact O-N 3.29Å; C228-A232 VanDerWaalsContact O-CB 3.25Å; C228-A232 WeakPolarHBondContact O-CB 3.34Å; C228-A232 PolarHBondContact O-N 2.95Å; C228-V244 WeakPolarHBondContact SG-CG1 3.4Å; C228-L270 HydrophobicContact CB-CD2 4.38Å
229	V	96.6	Very high	96.2	Very high	26 Å²	26	34.9 Å²	34.9	16%	0.158	19%	0.185	C	C	.	.	H	α-helix	trans	-57	-50.4	175.4	176.8	0	0	0	0	110.7	V225 E226 A227 I231 A232 T233 K266 E269 L270	V225-V229 PolarHBondContact O-N 2.88Å; E226-V229 PolarHBondContact O-N 3.03Å; A227-V229 VanDerWaalsContact C-N 3.33Å; A227-V229 PolarHBondContact O-N 3.42Å; V229-I231 PolarHBondContact O-N 3.18Å; V229-A232 PolarHBondContact O-N 3.13Å; V229-T233 WeakPolarHBondContact O-CG2 3.47Å; V229-T233 PolarHBondContact O-N 2.89Å; V229-K266 HydrophobicContact CG2-CB 4.31Å; V229-E269 HydrophobicContact CG1-CB 3.83Å; V229-E269 HydrophobicContact CG2-CB 4.15Å; V229-L270 HydrophobicContact CG2-CD2 3.63Å; V229-L270 HydrophobicContact CG2-CG 3.81Å
230	S	96.5	Very high	96.2	Very high	21 Å²	21	33.5 Å²	33.5	15%	0.147	18%	0.175	C	C	.	.	H	α-helix	trans	-63.1	-44.7	-179.3	-68.2	0	0	0	0	112	E226 A227 C228 T233 L234	E226-S230 PolarHBondContact O-N 3.06Å; A227-S230 PolarHBondContact O-N 3.43Å; A227-S230 VanDerWaalsContact O-N 3.13Å; C228-S230 PolarHBondContact O-N 3Å; S230-T233 PolarHBondContact O-N 2.89Å; S230-T233 PolarHBondContact O-OG1 2.86Å; S230-L234 WeakPolarHBondContact O-CG 3.4Å; S230-L234 PolarHBondContact O-N 3.25Å
231	I	97.4	Very high	96.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-65.2	-43.4	-179.6	-67.6	165.4	0	0	0	110.9	L189 A193 I205 I206 F209 A227 C228 V229 T233 L234 L235 V244	L189-I231 HydrophobicContact CD2-CD1 4.27Å; A193-I231 HydrophobicContact CB-CG1 4.3Å; I205-I231 HydrophobicContact CG2-CD1 3.73Å; I205-I231 HydrophobicContact CG2-CG1 4.03Å; I206-I231 HydrophobicContact CD1-CG2 3.6Å; F209-I231 HydrophobicContact CB-CD1 3.75Å; F209-I231 HydrophobicContact CD1-CD1 4.32Å; F209-I231 HydrophobicContact CD2-CD1 4.03Å; F209-I231 HydrophobicContact CG-CD1 3.77Å; A227-I231 HydrophobicContact CB-CD1 4.39Å; A227-I231 WeakPolarHBondContact O-CB 3.47Å; A227-I231 VanDerWaalsContact O-CG1 3.29Å; A227-I231 WeakPolarHBondContact O-CG1 3.29Å; A227-I231 PolarHBondContact O-N 3.37Å; C228-I231 PolarHBondContact O-N 3.29Å; V229-I231 PolarHBondContact O-N 3.18Å; I231-T233 VanDerWaalsContact C-N 3.27Å; I231-T233 PolarHBondContact O-N 3.25Å; I231-L234 PolarHBondContact O-N 2.92Å; I231-L235 HydrophobicContact CG2-CD1 4.01Å; I231-L235 HydrophobicContact CG2-CG 4.43Å; I231-L235 PolarHBondContact O-N 3.4Å; I231-V244 HydrophobicContact CG2-CG2 4.2Å
232	A	97.2	Very high	96	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.008	22%	0.218	C	C	.	.	H	α-helix	trans	-60.5	-36.3	178.6	0	0	0	0	0	112.2	C228 V229 L234 L240 V244 A273	C228-A232 VanDerWaalsContact O-CB 3.25Å; C228-A232 WeakPolarHBondContact O-CB 3.34Å; C228-A232 PolarHBondContact O-N 2.95Å; V229-A232 PolarHBondContact O-N 3.13Å; A232-L234 VanDerWaalsContact C-N 3.25Å; A232-L234 PolarHBondContact O-N 3.32Å; A232-L240 HydrophobicContact CB-CD2 4.11Å; A232-V244 HydrophobicContact CB-CG1 4.42Å; A232-A273 HydrophobicContact CB-CB 3.75Å
233	T	96.5	Very high	96	Very high	87 Å²	87	42.1 Å²	42.1	53%	0.534	22%	0.224	S	C	.	.	H	α-helix	trans	-70.3	-18.2	176	61.1	0	0	0	0	114.6	V229 S230 I231 A273	V229-T233 WeakPolarHBondContact O-CG2 3.47Å; V229-T233 PolarHBondContact O-N 2.89Å; S230-T233 PolarHBondContact O-N 2.89Å; S230-T233 PolarHBondContact O-OG1 2.86Å; I231-T233 VanDerWaalsContact C-N 3.27Å; I231-T233 PolarHBondContact O-N 3.25Å; T233-A273 HydrophobicContact CG2-CB 3.72Å
234	L	96.4	Very high	96	Very high	58 Å²	58	41.1 Å²	41.1	30%	0.304	22%	0.218	S	C	.	.	H	α-helix	trans	-93	-24.2	-177.7	-65.6	170.2	0	0	0	112.9	A193 K194 S230 I231 A232	A193-L234 HydrophobicContact CB-CD1 3.79Å; K194-L234 HydrophobicContact CG-CD1 4.01Å; K194-L234 HydrophobicContact CG-CD2 4.19Å; K194-L234 HydrophobicContact CG-CG 4.49Å; S230-L234 WeakPolarHBondContact O-CG 3.4Å; S230-L234 PolarHBondContact O-N 3.25Å; I231-L234 PolarHBondContact O-N 2.92Å; A232-L234 VanDerWaalsContact C-N 3.25Å; A232-L234 PolarHBondContact O-N 3.32Å
235	L	96.3	Very high	96	Very high	10 Å²	10	41.1 Å²	41.1	5%	0.052	22%	0.218	C	C	.	.	S	Bend	trans	-89.4	144.9	-175.9	-69.6	178.2	0	0	0	111.8	L198 V201 K202 I206 I231 L240 L243 V244	L198-L235 HydrophobicContact CD1-CD2 3.9Å; V201-L235 HydrophobicContact CG1-CD2 4.09Å; K202-L235 HydrophobicContact CG-CD2 3.85Å; I206-L235 HydrophobicContact CD1-CD1 4.02Å; I231-L235 HydrophobicContact CG2-CD1 4.01Å; I231-L235 HydrophobicContact CG2-CG 4.43Å; I231-L235 PolarHBondContact O-N 3.4Å; L235-L240 HydrophobicContact CB-CD2 3.7Å; L235-L240 HydrophobicContact CD1-CD2 4.2Å; L235-L243 HydrophobicContact CD1-CB 4.25Å; L235-L243 HydrophobicContact CD1-CD1 4.24Å; L235-V244 HydrophobicContact CD1-CG2 3.71Å
236	P	95.6	Very high	96.1	Very high	47 Å²	47	44 Å²	44	31%	0.305	24%	0.237	S	C	.	.			trans	-55.4	145.8	163.9	-23.2	32.5	0	0	0	111.9	L198 E238 D239	L198-P236 HydrophobicContact CD2-CG 4.3Å; P236-E238 HydrophobicContact CB-CG 4.04Å; P236-E238 PolarHBondContact O-N 2.96Å; P236-E238 VanDerWaalsContact O-N 3.16Å; P236-D239 VanDerWaalsContact CD-OD2 3.28Å; P236-D239 WeakPolarHBondContact CD-OD2 3.29Å; P236-D239 WeakPolarHBondContact CG-OD2 3.17Å; P236-D239 PolarHBondContact O-N 3.4Å
237	Q	92.9	Very high	96.3	Very high	103 Å²	103	39.6 Å²	39.6	48%	0.481	22%	0.216	S	C	.	.	H	α-helix	trans	-55.6	-35.3	-178	-71.1	-72.2	-51	0	0	113.3	D239 L240 A273 V274	Q237-D239 PolarHBondContact O-N 2.99Å; Q237-L240 PolarHBondContact O-N 3.01Å; Q237-A273 PolarHBondContact NE2-O 3.2Å; Q237-V274 PolarHBondContact OE1-O 3.39Å
238	E	93.9	Very high	96.4	Very high	160 Å²	160	39.8 Å²	39.8	75%	0.748	22%	0.217	S	C	*	.	H	α-helix	trans	-64.5	-25.6	178.7	60	-175.6	-174.3	0	0	113.9	P236	P236-E238 HydrophobicContact CB-CG 4.04Å; P236-E238 PolarHBondContact O-N 2.96Å; P236-E238 VanDerWaalsContact O-N 3.16Å
239	D	95.9	Very high	96.4	Very high	25 Å²	25	43.9 Å²	43.9	13%	0.134	23%	0.232	C	C	.	.	H	α-helix	trans	-87	-25.8	-179.1	-63.6	-66.1	0	0	0	112.4	K202 P236 Q237 E241 T242 L243	K202-D239 WeakPolarHBondContact CE-OD2 3.39Å; K202-D239 IonicContact NZ-OD1 2.84Å; K202-D239 PolarHBondContact NZ-OD1 3.17Å; K202-D239 IonicContact NZ-OD2 3.21Å; K202-D239 PolarHBondContact NZ-OD2 3.46Å; P236-D239 VanDerWaalsContact CD-OD2 3.28Å; P236-D239 WeakPolarHBondContact CD-OD2 3.29Å; P236-D239 WeakPolarHBondContact CG-OD2 3.17Å; P236-D239 PolarHBondContact O-N 3.4Å; Q237-D239 PolarHBondContact O-N 2.99Å; D239-E241 VanDerWaalsContact C-N 3.31Å; D239-E241 PolarHBondContact O-N 3.17Å; D239-T242 PolarHBondContact O-N 3.33Å; D239-T242 VanDerWaalsContact O-N 3.08Å; D239-T242 PolarHBondContact O-OG1 3.35Å; D239-L243 HydrophobicContact CB-CD1 3.93Å; D239-L243 HydrophobicContact CB-CG 4.36Å; D239-L243 WeakPolarHBondContact O-CB 3.35Å; D239-L243 PolarHBondContact O-N 3.28Å
240	L	96.3	Very high	96.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-58.1	-42.8	-171.2	-65.1	-177.3	0	0	0	112.7	A232 L235 Q237 T242 V244 M245 I278	A232-L240 HydrophobicContact CB-CD2 4.11Å; L235-L240 HydrophobicContact CB-CD2 3.7Å; L235-L240 HydrophobicContact CD1-CD2 4.2Å; Q237-L240 PolarHBondContact O-N 3.01Å; L240-T242 PolarHBondContact O-N 2.93Å; L240-V244 HydrophobicContact CD2-CB 4.45Å; L240-V244 HydrophobicContact CD2-CG2 3.94Å; L240-V244 PolarHBondContact O-N 3.18Å; L240-M245 WeakPolarHBondContact O-CG 3.46Å; L240-M245 PolarHBondContact O-N 3.15Å; L240-I278 HydrophobicContact CB-CD1 3.69Å; L240-I278 HydrophobicContact CD1-CD1 4.29Å
241	E	94.9	Very high	96.5	Very high	77 Å²	77	46.3 Å²	46.3	36%	0.36	24%	0.242	S	C	.	.	H	α-helix	trans	-58.6	-35.9	-179.8	-172.6	56.2	-145.6	0	0	112.2	D239 R249	D239-E241 VanDerWaalsContact C-N 3.31Å; D239-E241 PolarHBondContact O-N 3.17Å; E241-R249 IonicContact OE1-CZ 3.62Å; E241-R249 IonicContact OE1-NH1 3.61Å; E241-R249 IonicContact OE1-NH2 2.69Å; E241-R249 PolarHBondContact OE1-NH2 2.89Å; E241-R249 IonicContact OE2-NH2 3.11Å
242	T	96	Very high	96.5	Very high	95 Å²	95	46.9 Å²	46.9	58%	0.583	25%	0.247	S	C	*	.	H	α-helix	trans	-93	-36.7	-176.3	64	0	0	0	0	113.1	D239 L240	D239-T242 PolarHBondContact O-N 3.33Å; D239-T242 VanDerWaalsContact O-N 3.08Å; D239-T242 PolarHBondContact O-OG1 3.35Å; L240-T242 PolarHBondContact O-N 2.93Å
243	L	96.9	Very high	96.5	Very high	43 Å²	43	53.9 Å²	53.9	23%	0.225	28%	0.279	C	S	.	.	H	α-helix	trans	-98.7	-28.1	-170.2	-59	-174.3	0	0	0	113.9	K202 I206 L235 D239	K202-L243 HydrophobicContact CB-CD1 4.47Å; K202-L243 HydrophobicContact CD-CD1 4.46Å; K202-L243 HydrophobicContact CG-CD1 4.07Å; I206-L243 HydrophobicContact CD1-CB 4.09Å; I206-L243 HydrophobicContact CG1-CB 4.24Å; I206-L243 HydrophobicContact CG1-CD1 4.32Å; I206-L243 HydrophobicContact CG2-CB 4.26Å; I206-L243 HydrophobicContact CG2-CD2 4.42Å; L235-L243 HydrophobicContact CD1-CB 4.25Å; L235-L243 HydrophobicContact CD1-CD1 4.24Å; D239-L243 HydrophobicContact CB-CD1 3.93Å; D239-L243 HydrophobicContact CB-CG 4.36Å; D239-L243 WeakPolarHBondContact O-CB 3.35Å; D239-L243 PolarHBondContact O-N 3.28Å
244	V	97.4	Very high	96.6	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-45.9	-171.8	180	0	0	0	0	111.9	I206 C228 I231 A232 L235 L240 P246 T247 L248	I206-V244 HydrophobicContact CD1-CG2 4.43Å; C228-V244 WeakPolarHBondContact SG-CG1 3.4Å; I231-V244 HydrophobicContact CG2-CG2 4.2Å; A232-V244 HydrophobicContact CB-CG1 4.42Å; L235-V244 HydrophobicContact CD1-CG2 3.71Å; L240-V244 HydrophobicContact CD2-CB 4.45Å; L240-V244 HydrophobicContact CD2-CG2 3.94Å; L240-V244 PolarHBondContact O-N 3.18Å; V244-P246 VanDerWaalsContact C-CD 3.47Å; V244-T247 PolarHBondContact O-N 3.48Å; V244-T247 VanDerWaalsContact O-N 3.15Å; V244-L248 PolarHBondContact O-N 3.33Å
245	M	97	Very high	96.6	Very high	2 Å²	2	56 Å²	56	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-59.9	-37.5	-172.7	-67.9	-51.7	-63.2	0	0	115.3	L240 T247 L248 R249 V274 I278 D282	L240-M245 WeakPolarHBondContact O-CG 3.46Å; L240-M245 PolarHBondContact O-N 3.15Å; M245-T247 VanDerWaalsContact C-N 3.28Å; M245-T247 PolarHBondContact O-N 3.15Å; M245-L248 HydrophobicContact CE-CD2 4.19Å; M245-L248 PolarHBondContact O-N 2.81Å; M245-L248 HydrophobicContact SD-CD2 4Å; M245-R249 WeakPolarHBondContact O-CB 3.47Å; M245-R249 VanDerWaalsContact O-CG 3.27Å; M245-R249 WeakPolarHBondContact O-CG 3.44Å; M245-R249 PolarHBondContact O-N 2.69Å; M245-V274 HydrophobicContact SD-CG1 4.16Å; M245-I278 HydrophobicContact CE-CG2 3.48Å; M245-I278 VanDerWaalsContact CE-CG2 3.48Å; M245-I278 HydrophobicContact CG-CD1 4.2Å; M245-I278 HydrophobicContact CG-CG2 4Å; M245-I278 HydrophobicContact SD-CG2 3.43Å; M245-I278 WeakPolarHBondContact SD-CG2 3.37Å; M245-D282 HydrophobicContact CE-CB 3.5Å; M245-D282 VanDerWaalsContact CE-CB 3.5Å
246	P	97.8	Very high	96.7	Very high	65 Å²	65	56.4 Å²	56.4	42%	0.422	28%	0.283	S	S	.	.	H	α-helix	trans	-56.4	-43.8	175.4	-26.3	36	0	0	0	112.6	V244 Q250	V244-P246 VanDerWaalsContact C-CD 3.47Å; P246-Q250 PolarHBondContact O-N 3.16Å; P246-Q250 VanDerWaalsContact O-N 3.14Å
247	T	97.9	Very high	96.9	Very high	6 Å²	6	58.6 Å²	58.6	4%	0.037	29%	0.285	C	S	.	.	H	α-helix	trans	-72.6	-38.2	-180	-51	0	0	0	0	111.7	F209 T210 A213 V244 M245 Q250 A251	F209-T247 HydrophobicContact CD1-CG2 4.32Å; F209-T247 HydrophobicContact CE1-CG2 3.6Å; F209-T247 HydrophobicContact CE2-CG2 3.93Å; F209-T247 HydrophobicContact CZ-CG2 3.36Å; T210-T247 PolarHBondContact OG1-OG1 3.33Å; A213-T247 HydrophobicContact CB-CG2 3.18Å; V244-T247 PolarHBondContact O-N 3.48Å; V244-T247 VanDerWaalsContact O-N 3.15Å; M245-T247 VanDerWaalsContact C-N 3.28Å; M245-T247 PolarHBondContact O-N 3.15Å; T247-Q250 WeakPolarHBondContact O-CB 3.37Å; T247-Q250 PolarHBondContact O-N 2.86Å; T247-A251 PolarHBondContact O-N 3.19Å
248	L	97.8	Very high	97.1	Very high	8 Å²	8	59 Å²	59	4%	0.042	28%	0.282	C	S	.	.	H	α-helix	trans	-66.1	-42.4	176.5	-179.4	58.1	0	0	0	112.1	V244 M245 Q250 A251 A252 V263 L270 L283	V244-L248 PolarHBondContact O-N 3.33Å; M245-L248 HydrophobicContact CE-CD2 4.19Å; M245-L248 PolarHBondContact O-N 2.81Å; M245-L248 HydrophobicContact SD-CD2 4Å; L248-Q250 VanDerWaalsContact C-N 3.32Å; L248-Q250 PolarHBondContact O-N 2.94Å; L248-A251 PolarHBondContact O-N 2.93Å; L248-A252 PolarHBondContact O-N 3.45Å; L248-V263 HydrophobicContact CD1-CG1 4.38Å; L248-L270 HydrophobicContact CD1-CD1 3.84Å; L248-L270 HydrophobicContact CD1-CD2 4.08Å; L248-L270 HydrophobicContact CD2-CD2 4.21Å; L248-L283 HydrophobicContact CD2-CD2 4.07Å
249	R	97.4	Very high	97.3	Very high	88 Å²	88	51.5 Å²	51.5	33%	0.332	25%	0.247	S	C	.	.	H	α-helix	trans	-59	-45.2	174.3	-70.5	174.9	-169.9	125.3	-2	110.8	E241 M245 A251 A252 E253 D282	E241-R249 IonicContact OE1-CZ 3.62Å; E241-R249 IonicContact OE1-NH1 3.61Å; E241-R249 IonicContact OE1-NH2 2.69Å; E241-R249 PolarHBondContact OE1-NH2 2.89Å; E241-R249 IonicContact OE2-NH2 3.11Å; M245-R249 WeakPolarHBondContact O-CB 3.47Å; M245-R249 VanDerWaalsContact O-CG 3.27Å; M245-R249 WeakPolarHBondContact O-CG 3.44Å; M245-R249 PolarHBondContact O-N 2.69Å; R249-A251 VanDerWaalsContact C-N 3.34Å; R249-A251 PolarHBondContact O-N 3.13Å; R249-A252 PolarHBondContact O-N 2.75Å; R249-E253 PolarHBondContact O-N 2.92Å; R249-D282 IonicContact CZ-OD1 3.64Å; R249-D282 IonicContact NE-OD1 3.26Å; R249-D282 PolarHBondContact NE-OD1 3.26Å; R249-D282 IonicContact NH2-OD1 3.6Å; R249-D282 PolarHBondContact NH2-OD1 3.39Å; R249-D282 IonicContact NH2-OD2 2.66Å; R249-D282 PolarHBondContact NH2-OD2 3.49Å
250	Q	97.4	Very high	97.4	Very high	85 Å²	85	51.5 Å²	51.5	40%	0.397	25%	0.245	S	C	.	.	H	α-helix	trans	-59	-43.2	175.2	-177.3	-173.2	9.9	0	0	112.2	S214 P246 T247 L248 E253 D254	S214-Q250 PolarHBondContact OG-NE2 2.85Å; S214-Q250 PolarHBondContact OG-OE1 3.13Å; P246-Q250 PolarHBondContact O-N 3.16Å; P246-Q250 VanDerWaalsContact O-N 3.14Å; T247-Q250 WeakPolarHBondContact O-CB 3.37Å; T247-Q250 PolarHBondContact O-N 2.86Å; L248-Q250 VanDerWaalsContact C-N 3.32Å; L248-Q250 PolarHBondContact O-N 2.94Å; Q250-E253 CarbonylContact O-C 3.55Å; Q250-E253 PolarHBondContact O-N 3.11Å; Q250-D254 PolarHBondContact O-N 3.47Å
251	A	97.8	Very high	97.6	Very high	13 Å²	13	55.4 Å²	55.4	11%	0.107	26%	0.26	C	S	.	.	H	α-helix	trans	-67.4	-36.8	179.2	0	0	0	0	0	112.7	V225 T247 L248 R249 E253 D254 V259 V263	V225-A251 HydrophobicContact CG2-CB 4.19Å; T247-A251 PolarHBondContact O-N 3.19Å; L248-A251 PolarHBondContact O-N 2.93Å; R249-A251 VanDerWaalsContact C-N 3.34Å; R249-A251 PolarHBondContact O-N 3.13Å; A251-E253 PolarHBondContact O-N 3.29Å; A251-D254 WeakPolarHBondContact O-CB 3.28Å; A251-D254 PolarHBondContact O-N 3.14Å; A251-V259 HydrophobicContact CB-CG1 4.04Å; A251-V263 HydrophobicContact CB-CG2 3.92Å
252	A	97.6	Very high	97.7	Very high	12 Å²	12	53.3 Å²	53.3	10%	0.099	25%	0.251	C	S	.	.	H	α-helix	trans	-66	-27.7	176.9	0	0	0	0	0	112.6	L248 R249 R260 V263 A286	L248-A252 PolarHBondContact O-N 3.45Å; R249-A252 PolarHBondContact O-N 2.75Å; A252-R260 VanDerWaalsContact O-CD 3.27Å; A252-R260 WeakPolarHBondContact O-CD 3.2Å; A252-R260 WeakPolarHBondContact O-CG 3.21Å; A252-V263 HydrophobicContact CB-CG1 4.24Å; A252-A286 HydrophobicContact CB-CB 4.5Å
253	E	97	Very high	97.8	Very high	147 Å²	147	48.8 Å²	48.8	69%	0.687	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.6	16.4	178.1	-61.4	-176.6	172.7	0	0	112.9	R249 Q250 A251	R249-E253 PolarHBondContact O-N 2.92Å; Q250-E253 CarbonylContact O-C 3.55Å; Q250-E253 PolarHBondContact O-N 3.11Å; A251-E253 PolarHBondContact O-N 3.29Å
254	D	98.4	Very high	97.9	Very high	14 Å²	14	46.8 Å²	46.8	8%	0.075	21%	0.213	C	C	.	.			trans	-61.4	143.7	-176	-166	-73	0	0	0	111.4	R221 Q250 A251 S256 V259 R260	R221-D254 IonicContact CZ-OD1 3.45Å; R221-D254 IonicContact CZ-OD2 2.6Å; R221-D254 IonicContact NE-OD1 2.84Å; R221-D254 IonicContact NE-OD2 3.84Å; R221-D254 PolarHBondContact NE-OD2 3.08Å; R221-D254 IonicContact NH2-OD1 3.56Å; R221-D254 PolarHBondContact NH2-OD1 3.32Å; R221-D254 IonicContact NH2-OD2 2.89Å; Q250-D254 PolarHBondContact O-N 3.47Å; A251-D254 WeakPolarHBondContact O-CB 3.28Å; A251-D254 PolarHBondContact O-N 3.14Å; D254-S256 PolarHBondContact O-N 2.87Å; D254-S256 WeakPolarHBondContact OD1-CB 3.44Å; D254-S256 PolarHBondContact OD1-N 3.35Å; D254-V259 HydrophobicContact CB-CB 3.73Å; D254-V259 HydrophobicContact CB-CG1 3.72Å; D254-V259 HydrophobicContact CB-CG2 4.42Å; D254-R260 HydrophobicContact CB-CG 4.29Å; D254-R260 VanDerWaalsContact O-CD 3.25Å; D254-R260 WeakPolarHBondContact O-CD 3.37Å; D254-R260 WeakPolarHBondContact O-CG 3.39Å; D254-R260 PolarHBondContact O-NH1 3.41Å
255	K	97.3	Very high	97.9	Very high	177 Å²	177	48.9 Å²	48.9	77%	0.77	22%	0.224	S	C	*	.	S	Bend	trans	-57.3	-33	175.9	65.5	-176.5	-179.6	-176.5	0	113.1	R260	K255-R260 PolarHBondContact O-NH1 2.77Å
256	S	98.1	Very high	98	Very high	18 Å²	18	51.3 Å²	51.3	13%	0.126	24%	0.235	C	C	.	.	S	Bend	trans	-85.6	120.6	177.8	-178.7	0	0	0	0	110.1	D218 D254 R258 V259 R260	D218-S256 PolarHBondContact OD2-OG 3.25Å; D254-S256 PolarHBondContact O-N 2.87Å; D254-S256 WeakPolarHBondContact OD1-CB 3.44Å; D254-S256 PolarHBondContact OD1-N 3.35Å; S256-R258 PolarHBondContact O-N 3.33Å; S256-R258 VanDerWaalsContact O-N 3.14Å; S256-R258 PolarHBondContact OG-N 3.24Å; S256-V259 PolarHBondContact O-N 3.15Å; S256-V259 VanDerWaalsContact O-N 3.08Å; S256-R260 PolarHBondContact O-N 3.17Å
257	W	98.2	Very high	98	Very high	93 Å²	93	48.3 Å²	48.3	35%	0.352	22%	0.215	S	C	.	.	H	α-helix	trans	-59.1	-26	175.2	73.4	-99.6	0	0	0	112.5	V259 R260 Y261 E295 E297 V298	W257-V259 VanDerWaalsContact C-N 3.31Å; W257-V259 PolarHBondContact O-N 3.33Å; W257-R260 PolarHBondContact O-N 3.35Å; W257-Y261 HydrophobicContact CZ3-CD2 4.34Å; W257-Y261 HydrophobicContact CZ3-CG 4.27Å; W257-Y261 WeakPolarHBondContact O-CB 3.28Å; W257-Y261 PolarHBondContact O-N 3.43Å; W257-E295 HydrophobicContact CB-CB 4.12Å; W257-E295 HydrophobicContact CB-CG 3.6Å; W257-E295 HydrophobicContact CG-CG 4.05Å; W257-E297 HydrophobicContact CE3-CB 4.19Å; W257-E297 HydrophobicContact CH2-CB 4.49Å; W257-E297 HydrophobicContact CH2-CG 4.42Å; W257-E297 HydrophobicContact CZ3-CB 3.81Å; W257-E297 HydrophobicContact CZ3-CG 4.22Å; W257-V298 HydrophobicContact CB-CG2 4.12Å; W257-V298 HydrophobicContact CE3-CG2 4.32Å; W257-V298 WeakPolarHBondContact O-CG2 3.49Å
258	R	98.2	Very high	97.9	Very high	112 Å²	112	48 Å²	48	42%	0.423	21%	0.213	S	C	.	.	H	α-helix	trans	-66.1	-34.9	178.1	-63.2	178.5	70.7	-170.3	6.9	112	D218 S256 M262	D218-R258 IonicContact OD2-NH1 3.93Å; S256-R258 PolarHBondContact O-N 3.33Å; S256-R258 VanDerWaalsContact O-N 3.14Å; S256-R258 PolarHBondContact OG-N 3.24Å; R258-M262 WeakPolarHBondContact O-CG 3.43Å; R258-M262 PolarHBondContact O-N 3.15Å; R258-M262 VanDerWaalsContact O-N 3.08Å
259	V	98.4	Very high	97.9	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.006	23%	0.227	C	C	.	.	H	α-helix	trans	-72.4	-46.3	176.2	-179.8	0	0	0	0	109.6	R221 L222 V225 A251 D254 S256 W257 Y261 M262 V263	R221-V259 HydrophobicContact CB-CG2 3.86Å; L222-V259 HydrophobicContact CB-CG2 4.12Å; V225-V259 HydrophobicContact CG2-CG1 4.28Å; A251-V259 HydrophobicContact CB-CG1 4.04Å; D254-V259 HydrophobicContact CB-CB 3.73Å; D254-V259 HydrophobicContact CB-CG1 3.72Å; D254-V259 HydrophobicContact CB-CG2 4.42Å; S256-V259 PolarHBondContact O-N 3.15Å; S256-V259 VanDerWaalsContact O-N 3.08Å; W257-V259 VanDerWaalsContact C-N 3.31Å; W257-V259 PolarHBondContact O-N 3.33Å; V259-Y261 VanDerWaalsContact C-N 3.29Å; V259-Y261 PolarHBondContact O-N 3.37Å; V259-M262 WeakPolarHBondContact O-CB 3.45Å; V259-M262 PolarHBondContact O-N 3.25Å; V259-M262 VanDerWaalsContact O-N 3.08Å; V259-V263 PolarHBondContact O-N 3.41Å
260	R	98.6	Very high	97.9	Very high	25 Å²	25	46.9 Å²	46.9	9%	0.094	21%	0.212	C	C	.	.	H	α-helix	trans	-61.1	-38.2	175.4	-54.9	-163.6	-54.1	-86.5	2.9	112.3	A252 D254 K255 S256 W257 V263 A264 L290 D293 V298	A252-R260 VanDerWaalsContact O-CD 3.27Å; A252-R260 WeakPolarHBondContact O-CD 3.2Å; A252-R260 WeakPolarHBondContact O-CG 3.21Å; D254-R260 HydrophobicContact CB-CG 4.29Å; D254-R260 VanDerWaalsContact O-CD 3.25Å; D254-R260 WeakPolarHBondContact O-CD 3.37Å; D254-R260 WeakPolarHBondContact O-CG 3.39Å; D254-R260 PolarHBondContact O-NH1 3.41Å; K255-R260 PolarHBondContact O-NH1 2.77Å; S256-R260 PolarHBondContact O-N 3.17Å; W257-R260 PolarHBondContact O-N 3.35Å; R260-V263 WeakPolarHBondContact O-CB 3.48Å; R260-V263 PolarHBondContact O-N 3.16Å; R260-A264 PolarHBondContact O-N 2.88Å; R260-L290 HydrophobicContact CB-CD2 4.13Å; R260-D293 IonicContact CZ-OD1 3.47Å; R260-D293 IonicContact CZ-OD2 3.5Å; R260-D293 IonicContact NE-OD1 2.7Å; R260-D293 IonicContact NE-OD2 3.16Å; R260-D293 PolarHBondContact NE-OD2 3.01Å; R260-D293 IonicContact NH2-OD1 3.37Å; R260-D293 PolarHBondContact NH2-OD1 2.93Å; R260-D293 IonicContact NH2-OD2 3.95Å; R260-D293 PolarHBondContact NH2-OD2 3.04Å; R260-V298 HydrophobicContact CB-CG1 4.26Å; R260-V298 HydrophobicContact CB-CG2 4.35Å
261	Y	98.6	Very high	98	Very high	82 Å²	82	43.1 Å²	43.1	32%	0.322	19%	0.194	S	C	.	.	H	α-helix	trans	-59.2	-45.9	172.1	175.2	-88	0	0	0	111.2	W257 V259 V263 A264 D265 E297 A301	W257-Y261 HydrophobicContact CZ3-CD2 4.34Å; W257-Y261 HydrophobicContact CZ3-CG 4.27Å; W257-Y261 WeakPolarHBondContact O-CB 3.28Å; W257-Y261 PolarHBondContact O-N 3.43Å; V259-Y261 VanDerWaalsContact C-N 3.29Å; V259-Y261 PolarHBondContact O-N 3.37Å; Y261-V263 VanDerWaalsContact C-N 3.28Å; Y261-V263 PolarHBondContact O-N 3.36Å; Y261-A264 CarbonylContact O-C 3.58Å; Y261-A264 PolarHBondContact O-N 3.32Å; Y261-A264 VanDerWaalsContact O-N 3.14Å; Y261-D265 HydrophobicContact CE1-CB 4.35Å; Y261-D265 WeakPolarHBondContact O-CB 3.41Å; Y261-D265 PolarHBondContact O-N 3.16Å; Y261-E297 HydrophobicContact CD2-CB 4.32Å; Y261-E297 WeakPolarHBondContact CD2-O 3.47Å; Y261-A301 HydrophobicContact CD2-CB 3.84Å; Y261-A301 HydrophobicContact CE2-CB 3.67Å
262	M	98.2	Very high	97.9	Very high	33 Å²	33	48.4 Å²	48.4	16%	0.163	21%	0.214	C	C	.	.	H	α-helix	trans	-62.3	-36.2	176.4	-73.5	-50.6	-54.9	0	0	112.3	L222 V225 R258 V259 D265 K266	L222-M262 HydrophobicContact CB-CG 3.82Å; L222-M262 HydrophobicContact CD1-CG 3.93Å; L222-M262 HydrophobicContact CD1-SD 4.35Å; L222-M262 HydrophobicContact CG-CG 4.47Å; V225-M262 HydrophobicContact CB-CB 4.16Å; V225-M262 HydrophobicContact CG1-CB 4.33Å; V225-M262 HydrophobicContact CG2-CB 4.18Å; R258-M262 WeakPolarHBondContact O-CG 3.43Å; R258-M262 PolarHBondContact O-N 3.15Å; R258-M262 VanDerWaalsContact O-N 3.08Å; V259-M262 WeakPolarHBondContact O-CB 3.45Å; V259-M262 PolarHBondContact O-N 3.25Å; V259-M262 VanDerWaalsContact O-N 3.08Å; M262-D265 PolarHBondContact O-N 3.5Å; M262-K266 HydrophobicContact CE-CG 4.32Å; M262-K266 WeakPolarHBondContact O-CB 3.39Å; M262-K266 PolarHBondContact O-N 3.39Å
263	V	98.5	Very high	97.8	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.006	21%	0.212	C	C	.	.	H	α-helix	trans	-62.9	-45.1	172.8	178.5	0	0	0	0	110.6	V225 L248 A251 A252 V259 R260 Y261 K266 F267 L270 L290	V225-V263 HydrophobicContact CG1-CG2 3.99Å; V225-V263 HydrophobicContact CG2-CG2 3.88Å; L248-V263 HydrophobicContact CD1-CG1 4.38Å; A251-V263 HydrophobicContact CB-CG2 3.92Å; A252-V263 HydrophobicContact CB-CG1 4.24Å; V259-V263 PolarHBondContact O-N 3.41Å; R260-V263 WeakPolarHBondContact O-CB 3.48Å; R260-V263 PolarHBondContact O-N 3.16Å; Y261-V263 VanDerWaalsContact C-N 3.28Å; Y261-V263 PolarHBondContact O-N 3.36Å; V263-K266 CarbonylContact O-C 3.26Å; V263-K266 PolarHBondContact O-N 3.29Å; V263-F267 HydrophobicContact CG1-CD2 4.08Å; V263-F267 HydrophobicContact CG1-CE2 4.3Å; V263-F267 WeakPolarHBondContact O-CA 3.35Å; V263-F267 WeakPolarHBondContact O-CB 3.43Å; V263-F267 PolarHBondContact O-N 3.45Å; V263-L270 HydrophobicContact CG1-CD1 4.18Å; V263-L290 HydrophobicContact CG1-CD1 4.03Å
264	A	98.4	Very high	97.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-64.6	-40.6	176.5	0	0	0	0	0	112.9	R260 Y261 F267 L290 V298 A301 A302 K305	R260-A264 PolarHBondContact O-N 2.88Å; Y261-A264 CarbonylContact O-C 3.58Å; Y261-A264 PolarHBondContact O-N 3.32Å; Y261-A264 VanDerWaalsContact O-N 3.14Å; A264-F267 WeakPolarHBondContact O-CB 3.45Å; A264-F267 PolarHBondContact O-N 3.39Å; A264-L290 HydrophobicContact CB-CD1 4.24Å; A264-V298 HydrophobicContact CB-CG1 4.45Å; A264-A301 HydrophobicContact CB-CB 3.8Å; A264-A302 HydrophobicContact CB-CB 4.25Å; A264-K305 WeakPolarHBondContact O-CG 3.41Å
265	D	98	Very high	97.7	Very high	45 Å²	45	41 Å²	41	24%	0.241	18%	0.182	C	C	.	.	H	α-helix	trans	-64	-40.8	177.5	-177.5	64.2	0	0	0	112	Y261 M262 K305	Y261-D265 HydrophobicContact CE1-CB 4.35Å; Y261-D265 WeakPolarHBondContact O-CB 3.41Å; Y261-D265 PolarHBondContact O-N 3.16Å; M262-D265 PolarHBondContact O-N 3.5Å; D265-K305 WeakPolarHBondContact O-CE 3.47Å; D265-K305 PolarHBondContact O-NZ 3.49Å; D265-K305 VanDerWaalsContact O-NZ 3.12Å
266	K	97.8	Very high	97.5	Very high	52 Å²	52	36 Å²	36	23%	0.226	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	12.2	-179.8	-59.4	-54	-178.8	-138.6	0	114.6	V225 V229 M262 V263 S268 E269 L270	V225-K266 HydrophobicContact CG1-CB 4.41Å; V229-K266 HydrophobicContact CG2-CB 4.31Å; M262-K266 HydrophobicContact CE-CG 4.32Å; M262-K266 WeakPolarHBondContact O-CB 3.39Å; M262-K266 PolarHBondContact O-N 3.39Å; V263-K266 CarbonylContact O-C 3.26Å; V263-K266 PolarHBondContact O-N 3.29Å; K266-S268 VanDerWaalsContact C-N 3.31Å; K266-S268 PolarHBondContact O-N 2.8Å; K266-E269 VanDerWaalsContact C-OE2 3.24Å; K266-E269 WeakPolarHBondContact CA-OE2 3.49Å; K266-E269 PolarHBondContact O-N 3.36Å; K266-L270 HydrophobicContact CB-CD1 4.37Å; K266-L270 HydrophobicContact CB-CG 4.48Å; K266-L270 WeakPolarHBondContact O-CB 3.43Å; K266-L270 VanDerWaalsContact O-CG 3.29Å; K266-L270 WeakPolarHBondContact O-CG 3.29Å; K266-L270 PolarHBondContact O-N 3.45Å
267	F	98.1	Very high	97.3	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.009	19%	0.19	C	C	.	.	H	α-helix	trans	-62.9	-38.6	-168.2	-152.7	-100.1	0	0	0	112.8	V263 A264 L270 Q271 L283 F287 L290 F309	V263-F267 HydrophobicContact CG1-CD2 4.08Å; V263-F267 HydrophobicContact CG1-CE2 4.3Å; V263-F267 WeakPolarHBondContact O-CA 3.35Å; V263-F267 WeakPolarHBondContact O-CB 3.43Å; V263-F267 PolarHBondContact O-N 3.45Å; A264-F267 WeakPolarHBondContact O-CB 3.45Å; A264-F267 PolarHBondContact O-N 3.39Å; F267-L270 PolarHBondContact O-N 2.78Å; F267-Q271 WeakPolarHBondContact O-CB 3.47Å; F267-Q271 PolarHBondContact O-N 2.87Å; F267-L283 HydrophobicContact CE1-CB 4.2Å; F267-L283 HydrophobicContact CZ-CB 3.86Å; F267-L283 HydrophobicContact CZ-CD2 4.29Å; F267-L283 HydrophobicContact CZ-CG 4.49Å; F267-L283 WeakPolarHBondContact CZ-O 3.44Å; F267-F287 AromaticContact CD1-CD2 3.44Å; F267-F287 HydrophobicContact CD1-CD2 3.44Å; F267-F287 VanDerWaalsContact CD1-CD2 3.44Å; F267-F287 AromaticContact CD1-CE2 3.87Å; F267-F287 HydrophobicContact CD1-CE2 3.87Å; F267-F287 HydrophobicContact CD1-CG 4.14Å; F267-F287 HydrophobicContact CD2-CD2 4.31Å; F267-F287 HydrophobicContact CE1-CB 3.56Å; F267-F287 AromaticContact CE1-CD2 3.34Å; F267-F287 HydrophobicContact CE1-CD2 3.34Å; F267-F287 HydrophobicContact CE1-CE2 4.2Å; F267-F287 AromaticContact CE1-CG 3.61Å; F267-F287 HydrophobicContact CE1-CG 3.61Å; F267-F287 HydrophobicContact CE2-CB 4.45Å; F267-F287 HydrophobicContact CE2-CD2 4.24Å; F267-F287 AromaticContact CG-CD2 3.94Å; F267-F287 HydrophobicContact CG-CD2 3.94Å; F267-F287 HydrophobicContact CG-CE2 4.3Å; F267-F287 HydrophobicContact CZ-CB 3.53Å; F267-F287 AromaticContact CZ-CD2 3.79Å; F267-F287 HydrophobicContact CZ-CD2 3.79Å; F267-F287 HydrophobicContact CZ-CG 4.02Å; F267-L290 HydrophobicContact CD2-CD1 3.8Å; F267-L290 HydrophobicContact CE2-CD1 3.72Å; F267-F309 AromaticContact CD1-CD2 3.77Å; F267-F309 HydrophobicContact CD1-CD2 3.77Å; F267-F309 HydrophobicContact CD1-CE2 4.19Å; F267-F309 HydrophobicContact CD1-CG 4.45Å; F267-F309 AromaticContact CE1-CD2 3.56Å; F267-F309 HydrophobicContact CE1-CD2 3.56Å; F267-F309 AromaticContact CE1-CE2 3.51Å; F267-F309 HydrophobicContact CE1-CE2 3.51Å; F267-F309 HydrophobicContact CE1-CG 4.35Å; F267-F309 HydrophobicContact CE1-CZ 4.24Å
268	S	96.8	Very high	97.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-71.4	-37	179.6	-57.6	0	0	0	0	112.3	K266 K272 E308	K266-S268 VanDerWaalsContact C-N 3.31Å; K266-S268 PolarHBondContact O-N 2.8Å; S268-K272 WeakPolarHBondContact O-CG 3.26Å; S268-K272 PolarHBondContact O-N 3.15Å; S268-E308 WeakPolarHBondContact CB-OE1 3.47Å; S268-E308 WeakPolarHBondContact CB-OE2 3.48Å; S268-E308 WeakPolarHBondContact OG-CG 3.17Å; S268-E308 PolarHBondContact OG-OE2 3.32Å
269	E	97.7	Very high	97.1	Very high	73 Å²	73	32.1 Å²	32.1	34%	0.341	16%	0.156	S	C	.	.	H	α-helix	trans	-68.2	-40.3	173.2	-62.8	82.4	-178.7	0	0	111.5	V229 K266 K272 A273	V229-E269 HydrophobicContact CG1-CB 3.83Å; V229-E269 HydrophobicContact CG2-CB 4.15Å; K266-E269 VanDerWaalsContact C-OE2 3.24Å; K266-E269 WeakPolarHBondContact CA-OE2 3.49Å; K266-E269 PolarHBondContact O-N 3.36Å; E269-K272 PolarHBondContact O-N 2.95Å; E269-A273 WeakPolarHBondContact O-CB 3.32Å; E269-A273 PolarHBondContact O-N 2.87Å
270	L	97.8	Very high	96.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.4	-47.1	173.9	-72.8	166.3	0	0	0	111	V225 C228 V229 L248 V263 K266 F267 K272 A273 V274	V225-L270 HydrophobicContact CG1-CD1 4.35Å; C228-L270 HydrophobicContact CB-CD2 4.38Å; V229-L270 HydrophobicContact CG2-CD2 3.63Å; V229-L270 HydrophobicContact CG2-CG 3.81Å; L248-L270 HydrophobicContact CD1-CD1 3.84Å; L248-L270 HydrophobicContact CD1-CD2 4.08Å; L248-L270 HydrophobicContact CD2-CD2 4.21Å; V263-L270 HydrophobicContact CG1-CD1 4.18Å; K266-L270 HydrophobicContact CB-CD1 4.37Å; K266-L270 HydrophobicContact CB-CG 4.48Å; K266-L270 WeakPolarHBondContact O-CB 3.43Å; K266-L270 VanDerWaalsContact O-CG 3.29Å; K266-L270 WeakPolarHBondContact O-CG 3.29Å; K266-L270 PolarHBondContact O-N 3.45Å; F267-L270 PolarHBondContact O-N 2.78Å; L270-K272 VanDerWaalsContact C-N 3.33Å; L270-K272 PolarHBondContact O-N 3.15Å; L270-A273 PolarHBondContact O-N 2.98Å; L270-A273 VanDerWaalsContact O-N 3.11Å; L270-V274 WeakPolarHBondContact O-CG1 3.4Å; L270-V274 WeakPolarHBondContact O-CG2 3.34Å; L270-V274 PolarHBondContact O-N 3.07Å
271	Q	97.8	Very high	96.7	Very high	6 Å²	6	39.4 Å²	39.4	3%	0.028	19%	0.193	C	C	.	.	H	α-helix	trans	-55.5	-46.7	177.4	-173.5	-174.4	19.9	0	0	112.2	F267 A273 G275 T279 L283 F309	F267-Q271 WeakPolarHBondContact O-CB 3.47Å; F267-Q271 PolarHBondContact O-N 2.87Å; Q271-A273 VanDerWaalsContact C-N 3.33Å; Q271-A273 PolarHBondContact O-N 3.23Å; Q271-G275 PolarHBondContact O-N 3.21Å; Q271-T279 HydrophobicContact CG-CG2 3.76Å; Q271-T279 WeakPolarHBondContact CG-OG1 3.1Å; Q271-L283 HydrophobicContact CB-CD1 4Å; Q271-L283 HydrophobicContact CG-CD1 4.37Å; Q271-F309 VanDerWaalsContact CD-CD2 3.44Å; Q271-F309 HydrophobicContact CG-CD2 4.3Å; Q271-F309 HydrophobicContact CG-CE2 4.31Å; Q271-F309 PolarHBondContact NE2-O 3.17Å
272	K	96.4	Very high	96.5	Very high	123 Å²	123	36.9 Å²	36.9	54%	0.535	19%	0.185	S	C	.	.	H	α-helix	trans	-65.2	-37.4	177.6	-69.6	170.1	-168.8	163.4	0	111.9	S268 E269 L270 E308	S268-K272 WeakPolarHBondContact O-CG 3.26Å; S268-K272 PolarHBondContact O-N 3.15Å; E269-K272 PolarHBondContact O-N 2.95Å; L270-K272 VanDerWaalsContact C-N 3.33Å; L270-K272 PolarHBondContact O-N 3.15Å; K272-E308 IonicContact NZ-OE1 2.95Å; K272-E308 PolarHBondContact NZ-OE1 3.37Å
273	A	96.6	Very high	96.5	Very high	7 Å²	7	35.5 Å²	35.5	6%	0.058	18%	0.178	C	C	.	.	H	α-helix	trans	-73.8	-40.2	-178.6	0	0	0	0	0	113.1	A232 T233 Q237 E269 L270 Q271	A232-A273 HydrophobicContact CB-CB 3.75Å; T233-A273 HydrophobicContact CG2-CB 3.72Å; Q237-A273 PolarHBondContact NE2-O 3.2Å; E269-A273 WeakPolarHBondContact O-CB 3.32Å; E269-A273 PolarHBondContact O-N 2.87Å; L270-A273 PolarHBondContact O-N 2.98Å; L270-A273 VanDerWaalsContact O-N 3.11Å; Q271-A273 VanDerWaalsContact C-N 3.33Å; Q271-A273 PolarHBondContact O-N 3.23Å
274	V	96.3	Very high	96.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-84.6	-15.6	-176.6	-54.5	0	0	0	0	114.4	Q237 M245 L270 I278 L283	Q237-V274 PolarHBondContact OE1-O 3.39Å; M245-V274 HydrophobicContact SD-CG1 4.16Å; L270-V274 WeakPolarHBondContact O-CG1 3.4Å; L270-V274 WeakPolarHBondContact O-CG2 3.34Å; L270-V274 PolarHBondContact O-N 3.07Å; V274-I278 HydrophobicContact CB-CB 4.13Å; V274-I278 HydrophobicContact CB-CD1 4.36Å; V274-I278 HydrophobicContact CB-CG2 3.89Å; V274-I278 HydrophobicContact CG2-CB 4.05Å; V274-I278 HydrophobicContact CG2-CG2 3.79Å; V274-L283 HydrophobicContact CG2-CD1 3.53Å; V274-L283 HydrophobicContact CG2-CG 4.11Å
275	G	95.4	Very high	96.4	Very high	11 Å²	11	38.3 Å²	38.3	11%	0.113	20%	0.197	C	C	.	.	H	α-helix	trans	80.7	174.5	175.8	0	0	0	0	0	115	Q271 T279	Q271-G275 PolarHBondContact O-N 3.21Å; G275-T279 VanDerWaalsContact O-CB 3.25Å; G275-T279 WeakPolarHBondContact O-CB 3.44Å; G275-T279 PolarHBondContact O-N 3.35Å; G275-T279 PolarHBondContact O-OG1 3.03Å
276	P	94.1	Very high	96.4	Very high	72 Å²	72	37 Å²	37	47%	0.468	19%	0.193	S	C	.	.	H	α-helix	trans	-69.8	-38.2	-165	24.5	-33.9	0	0	0	114.7	T279 K280 P314	P276-T279 WeakPolarHBondContact O-CB 3.43Å; P276-T279 PolarHBondContact O-N 2.78Å; P276-K280 PolarHBondContact O-N 2.95Å; P276-P314 HydrophobicContact CB-CB 4.48Å; P276-P314 HydrophobicContact CB-CG 3.62Å
277	E	93.3	Very high	96.4	Very high	128 Å²	128	34.6 Å²	34.6	60%	0.598	18%	0.182	S	C	*	.	H	α-helix	trans	-68.7	-49.1	-177.2	-67.7	-57.8	136.6	0	0	111.7	T279 K280 N281	E277-T279 VanDerWaalsContact C-N 3.29Å; E277-T279 PolarHBondContact O-N 3.32Å; E277-K280 PolarHBondContact O-N 3.49Å; E277-N281 PolarHBondContact O-N 3.44Å; E277-N281 VanDerWaalsContact O-N 3.15Å; E277-N281 PolarHBondContact O-ND2 2.93Å
278	I	96	Very high	96.4	Very high	12 Å²	12	36.6 Å²	36.6	6%	0.062	19%	0.191	C	C	.	.	H	α-helix	trans	-63.8	-39	175.1	-63.7	-179.8	0	0	0	110.2	L240 M245 V274 K280 N281 D282 L283	L240-I278 HydrophobicContact CB-CD1 3.69Å; L240-I278 HydrophobicContact CD1-CD1 4.29Å; M245-I278 HydrophobicContact CE-CG2 3.48Å; M245-I278 VanDerWaalsContact CE-CG2 3.48Å; M245-I278 HydrophobicContact CG-CD1 4.2Å; M245-I278 HydrophobicContact CG-CG2 4Å; M245-I278 HydrophobicContact SD-CG2 3.43Å; M245-I278 WeakPolarHBondContact SD-CG2 3.37Å; V274-I278 HydrophobicContact CB-CB 4.13Å; V274-I278 HydrophobicContact CB-CD1 4.36Å; V274-I278 HydrophobicContact CB-CG2 3.89Å; V274-I278 HydrophobicContact CG2-CB 4.05Å; V274-I278 HydrophobicContact CG2-CG2 3.79Å; I278-K280 VanDerWaalsContact C-N 3.28Å; I278-K280 PolarHBondContact O-N 3.01Å; I278-N281 PolarHBondContact O-N 2.9Å; I278-D282 HydrophobicContact CG2-CB 4.22Å; I278-D282 WeakPolarHBondContact O-CB 3.24Å; I278-D282 PolarHBondContact O-N 3.45Å; I278-L283 PolarHBondContact O-N 3.36Å
279	T	96.3	Very high	96.5	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.012	21%	0.214	C	C	.	.	I	π-helix	trans	-54.6	-46.8	175.7	-68.4	0	0	0	0	111.6	Q271 G275 P276 E277 L283 V284 F309 L313	Q271-T279 HydrophobicContact CG-CG2 3.76Å; Q271-T279 WeakPolarHBondContact CG-OG1 3.1Å; G275-T279 VanDerWaalsContact O-CB 3.25Å; G275-T279 WeakPolarHBondContact O-CB 3.44Å; G275-T279 PolarHBondContact O-N 3.35Å; G275-T279 PolarHBondContact O-OG1 3.03Å; P276-T279 WeakPolarHBondContact O-CB 3.43Å; P276-T279 PolarHBondContact O-N 2.78Å; E277-T279 VanDerWaalsContact C-N 3.29Å; E277-T279 PolarHBondContact O-N 3.32Å; T279-L283 HydrophobicContact CG2-CB 4.37Å; T279-L283 CarbonylContact O-C 3.6Å; T279-L283 WeakPolarHBondContact O-CB 3.49Å; T279-L283 PolarHBondContact O-N 3.14Å; T279-V284 PolarHBondContact O-N 3.48Å; T279-F309 HydrophobicContact CG2-CE2 3.98Å; T279-F309 HydrophobicContact CG2-CZ 4.31Å; T279-L313 HydrophobicContact CG2-CD2 3.88Å
280	K	94.3	Very high	96.5	Very high	76 Å²	76	37.5 Å²	37.5	33%	0.33	20%	0.199	S	C	.	.	I	π-helix	trans	-66.2	-43.6	-178.9	-179.6	176.6	176.7	177.5	0	112.6	P276 E277 I278 N317 I321	P276-K280 PolarHBondContact O-N 2.95Å; E277-K280 PolarHBondContact O-N 3.49Å; I278-K280 VanDerWaalsContact C-N 3.28Å; I278-K280 PolarHBondContact O-N 3.01Å; K280-N317 PolarHBondContact NZ-OD1 3.47Å; K280-I321 HydrophobicContact CG-CD1 4.14Å
281	N	94.3	Very high	96.5	Very high	102 Å²	102	37.6 Å²	37.6	55%	0.545	20%	0.199	S	C	.	.	I	π-helix	trans	-84.3	-33.2	-171.6	-63.3	-32	0	0	0	113.1	E277 I278	E277-N281 PolarHBondContact O-N 3.44Å; E277-N281 VanDerWaalsContact O-N 3.15Å; E277-N281 PolarHBondContact O-ND2 2.93Å; I278-N281 PolarHBondContact O-N 2.9Å
282	D	95.2	Very high	96.5	Very high	29 Å²	29	42.2 Å²	42.2	16%	0.155	22%	0.219	C	C	.	.	I	π-helix	trans	-119.6	-44.9	-171	-71	-81.4	0	0	0	113.8	M245 R249 I278 P285 A286	M245-D282 HydrophobicContact CE-CB 3.5Å; M245-D282 VanDerWaalsContact CE-CB 3.5Å; R249-D282 IonicContact CZ-OD1 3.64Å; R249-D282 IonicContact NE-OD1 3.26Å; R249-D282 PolarHBondContact NE-OD1 3.26Å; R249-D282 IonicContact NH2-OD1 3.6Å; R249-D282 PolarHBondContact NH2-OD1 3.39Å; R249-D282 IonicContact NH2-OD2 2.66Å; R249-D282 PolarHBondContact NH2-OD2 3.49Å; I278-D282 HydrophobicContact CG2-CB 4.22Å; I278-D282 WeakPolarHBondContact O-CB 3.24Å; I278-D282 PolarHBondContact O-N 3.45Å; D282-P285 WeakPolarHBondContact O-CD 3.35Å; D282-A286 WeakPolarHBondContact O-CB 3.22Å; D282-A286 PolarHBondContact O-N 3.31Å; D282-A286 VanDerWaalsContact O-N 3.11Å
283	L	97.3	Very high	96.7	Very high	4 Å²	4	37.1 Å²	37.1	2%	0.021	20%	0.198	C	C	.	.	I	π-helix	trans	-74.3	-33.3	-176.6	-59.6	-169.5	0	0	0	112.3	L248 F267 Q271 V274 I278 T279 A286 F287 F309	L248-L283 HydrophobicContact CD2-CD2 4.07Å; F267-L283 HydrophobicContact CE1-CB 4.2Å; F267-L283 HydrophobicContact CZ-CB 3.86Å; F267-L283 HydrophobicContact CZ-CD2 4.29Å; F267-L283 HydrophobicContact CZ-CG 4.49Å; F267-L283 WeakPolarHBondContact CZ-O 3.44Å; Q271-L283 HydrophobicContact CB-CD1 4Å; Q271-L283 HydrophobicContact CG-CD1 4.37Å; V274-L283 HydrophobicContact CG2-CD1 3.53Å; V274-L283 HydrophobicContact CG2-CG 4.11Å; I278-L283 PolarHBondContact O-N 3.36Å; T279-L283 HydrophobicContact CG2-CB 4.37Å; T279-L283 CarbonylContact O-C 3.6Å; T279-L283 WeakPolarHBondContact O-CB 3.49Å; T279-L283 PolarHBondContact O-N 3.14Å; L283-A286 PolarHBondContact O-N 3.4Å; L283-F287 VanDerWaalsContact O-CB 3.23Å; L283-F287 WeakPolarHBondContact O-CB 3.36Å; L283-F287 PolarHBondContact O-N 2.95Å; L283-F309 HydrophobicContact CB-CE2 4.33Å
284	V	97.5	Very high	96.7	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.024	23%	0.228	C	C	.	.	H	α-helix	trans	-58.8	-53.8	175.4	169.5	0	0	0	0	111.2	T279 A286 F287 Q288 F309 L313 I321 H325	T279-V284 PolarHBondContact O-N 3.48Å; V284-A286 PolarHBondContact O-N 3.45Å; V284-F287 PolarHBondContact O-N 3.46Å; V284-Q288 WeakPolarHBondContact O-CG 3.36Å; V284-Q288 PolarHBondContact O-N 3.39Å; V284-Q288 VanDerWaalsContact O-N 3.1Å; V284-F309 HydrophobicContact CG2-CE1 4.27Å; V284-F309 HydrophobicContact CG2-CZ 3.83Å; V284-L313 HydrophobicContact CG2-CD2 4.13Å; V284-I321 HydrophobicContact CG1-CG2 3.99Å; V284-I321 HydrophobicContact CG2-CG2 3.71Å; V284-H325 HydrophobicContact CG1-CB 3.83Å
285	P	97.4	Very high	96.8	Very high	56 Å²	56	45.5 Å²	45.5	36%	0.364	25%	0.246	S	C	.	.	H	α-helix	trans	-59.3	-43.5	174.2	-25.1	33.8	0	0	0	113.7	D282 F287 Q288 N289	D282-P285 WeakPolarHBondContact O-CD 3.35Å; P285-F287 VanDerWaalsContact C-N 3.32Å; P285-F287 PolarHBondContact O-N 2.94Å; P285-Q288 WeakPolarHBondContact O-CB 3.17Å; P285-Q288 PolarHBondContact O-N 2.7Å; P285-N289 PolarHBondContact O-N 3.44Å; P285-N289 VanDerWaalsContact O-N 3.1Å
286	A	98	Very high	96.9	Very high	19 Å²	19	45.6 Å²	45.6	16%	0.157	25%	0.246	C	C	.	.	H	α-helix	trans	-61.8	-41	179	0	0	0	0	0	111.8	A252 D282 L283 V284 Q288 N289 L290	A252-A286 HydrophobicContact CB-CB 4.5Å; D282-A286 WeakPolarHBondContact O-CB 3.22Å; D282-A286 PolarHBondContact O-N 3.31Å; D282-A286 VanDerWaalsContact O-N 3.11Å; L283-A286 PolarHBondContact O-N 3.4Å; V284-A286 PolarHBondContact O-N 3.45Å; A286-Q288 PolarHBondContact O-N 3.14Å; A286-N289 WeakPolarHBondContact O-CB 3.41Å; A286-N289 PolarHBondContact O-N 3.11Å; A286-L290 WeakPolarHBondContact O-CG 3.48Å; A286-L290 PolarHBondContact O-N 3.43Å
287	F	98.4	Very high	97.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-64.9	-40.2	177.7	-162.9	-125.9	0	0	0	111.8	F267 L283 V284 P285 N289 L290 L291 A302 K305 V306 F309 I326	F267-F287 AromaticContact CD1-CD2 3.44Å; F267-F287 HydrophobicContact CD1-CD2 3.44Å; F267-F287 VanDerWaalsContact CD1-CD2 3.44Å; F267-F287 AromaticContact CD1-CE2 3.87Å; F267-F287 HydrophobicContact CD1-CE2 3.87Å; F267-F287 HydrophobicContact CD1-CG 4.14Å; F267-F287 HydrophobicContact CD2-CD2 4.31Å; F267-F287 HydrophobicContact CE1-CB 3.56Å; F267-F287 AromaticContact CE1-CD2 3.34Å; F267-F287 HydrophobicContact CE1-CD2 3.34Å; F267-F287 HydrophobicContact CE1-CE2 4.2Å; F267-F287 AromaticContact CE1-CG 3.61Å; F267-F287 HydrophobicContact CE1-CG 3.61Å; F267-F287 HydrophobicContact CE2-CB 4.45Å; F267-F287 HydrophobicContact CE2-CD2 4.24Å; F267-F287 AromaticContact CG-CD2 3.94Å; F267-F287 HydrophobicContact CG-CD2 3.94Å; F267-F287 HydrophobicContact CG-CE2 4.3Å; F267-F287 HydrophobicContact CZ-CB 3.53Å; F267-F287 AromaticContact CZ-CD2 3.79Å; F267-F287 HydrophobicContact CZ-CD2 3.79Å; F267-F287 HydrophobicContact CZ-CG 4.02Å; L283-F287 VanDerWaalsContact O-CB 3.23Å; L283-F287 WeakPolarHBondContact O-CB 3.36Å; L283-F287 PolarHBondContact O-N 2.95Å; V284-F287 PolarHBondContact O-N 3.46Å; P285-F287 VanDerWaalsContact C-N 3.32Å; P285-F287 PolarHBondContact O-N 2.94Å; F287-N289 VanDerWaalsContact C-N 3.29Å; F287-N289 PolarHBondContact O-N 3.43Å; F287-L290 PolarHBondContact O-N 3.1Å; F287-L291 HydrophobicContact CD1-CD1 3.79Å; F287-L291 HydrophobicContact CD1-CG 4.34Å; F287-L291 HydrophobicContact CE1-CD1 3.72Å; F287-L291 HydrophobicContact CE1-CD2 4.34Å; F287-L291 HydrophobicContact CE1-CG 4.21Å; F287-L291 HydrophobicContact CG-CD1 4.45Å; F287-L291 HydrophobicContact CZ-CD1 4.34Å; F287-L291 HydrophobicContact CZ-CD2 4.16Å; F287-L291 HydrophobicContact CZ-CG 4.35Å; F287-L291 VanDerWaalsContact O-CG 3.29Å; F287-L291 WeakPolarHBondContact O-CG 3.26Å; F287-L291 PolarHBondContact O-N 3.39Å; F287-A302 HydrophobicContact CE2-CB 4.14Å; F287-A302 WeakPolarHBondContact CZ-O 3.38Å; F287-K305 HydrophobicContact CE2-CB 4.19Å; F287-K305 HydrophobicContact CZ-CB 4.25Å; F287-V306 HydrophobicContact CE1-CG2 4.1Å; F287-V306 HydrophobicContact CZ-CG2 4.01Å; F287-F309 HydrophobicContact CB-CE1 4.39Å; F287-F309 HydrophobicContact CB-CZ 4.38Å; F287-F309 AromaticContact CD1-CD1 3.47Å; F287-F309 HydrophobicContact CD1-CD1 3.47Å; F287-F309 VanDerWaalsContact CD1-CD1 3.47Å; F287-F309 AromaticContact CD1-CE1 3.73Å; F287-F309 HydrophobicContact CD1-CE1 3.73Å; F287-F309 HydrophobicContact CD1-CG 4Å; F287-F309 HydrophobicContact CD1-CZ 4.45Å; F287-F309 HydrophobicContact CE1-CB 4.08Å; F287-F309 AromaticContact CE1-CD1 3.64Å; F287-F309 HydrophobicContact CE1-CD1 3.64Å; F287-F309 HydrophobicContact CE1-CE1 4.36Å; F287-F309 AromaticContact CE1-CG 3.99Å; F287-F309 HydrophobicContact CE1-CG 3.99Å; F287-F309 HydrophobicContact CG-CD1 4.2Å; F287-F309 HydrophobicContact CG-CE1 4.27Å; F287-F309 HydrophobicContact CG-CG 4.43Å; F287-F309 HydrophobicContact CZ-CB 4.16Å; F287-F309 HydrophobicContact CZ-CD1 4.48Å; F287-F309 HydrophobicContact CZ-CG 4.4Å; F287-I326 HydrophobicContact CD1-CD1 4Å
288	Q	98.2	Very high	97.4	Very high	44 Å²	44	40.5 Å²	40.5	21%	0.206	22%	0.216	C	C	.	.	H	α-helix	trans	-59.5	-41.6	173.9	-68.2	178	-83.9	0	0	111.7	V284 P285 A286 L291 K292 H325 I326	V284-Q288 WeakPolarHBondContact O-CG 3.36Å; V284-Q288 PolarHBondContact O-N 3.39Å; V284-Q288 VanDerWaalsContact O-N 3.1Å; P285-Q288 WeakPolarHBondContact O-CB 3.17Å; P285-Q288 PolarHBondContact O-N 2.7Å; A286-Q288 PolarHBondContact O-N 3.14Å; Q288-L291 PolarHBondContact O-N 3.43Å; Q288-K292 WeakPolarHBondContact O-CB 3.44Å; Q288-K292 WeakPolarHBondContact O-CG 3.43Å; Q288-K292 PolarHBondContact O-N 2.87Å; Q288-K292 VanDerWaalsContact O-N 3.15Å; Q288-H325 HydrophobicContact CG-CB 4.4Å; Q288-H325 PolarHBondContact NE2-O 3.41Å; Q288-H325 PolarHBondContact OE1-CD2 3.02Å; Q288-I326 HydrophobicContact CG-CD1 4.33Å
289	N	98	Very high	97.5	Very high	91 Å²	91	41.4 Å²	41.4	49%	0.487	22%	0.218	S	C	.	.	H	α-helix	trans	-64.2	-42.2	176.5	-70.9	-16.3	0	0	0	111.7	P285 A286 F287 K292 D293	P285-N289 PolarHBondContact O-N 3.44Å; P285-N289 VanDerWaalsContact O-N 3.1Å; A286-N289 WeakPolarHBondContact O-CB 3.41Å; A286-N289 PolarHBondContact O-N 3.11Å; F287-N289 VanDerWaalsContact C-N 3.29Å; F287-N289 PolarHBondContact O-N 3.43Å; N289-K292 CarbonylContact O-C 3.46Å; N289-K292 VanDerWaalsContact O-C 3.26Å; N289-K292 WeakPolarHBondContact O-CA 3.49Å; N289-K292 PolarHBondContact O-N 3.33Å; N289-K292 VanDerWaalsContact O-N 3.09Å; N289-D293 PolarHBondContact O-N 2.79Å
290	L	98.4	Very high	97.6	Very high	2 Å²	2	42 Å²	42	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-66.8	-37.9	177.6	-66.1	169.5	0	0	0	112.5	R260 V263 A264 F267 A286 F287 K292 D293 V298 A302	R260-L290 HydrophobicContact CB-CD2 4.13Å; V263-L290 HydrophobicContact CG1-CD1 4.03Å; A264-L290 HydrophobicContact CB-CD1 4.24Å; F267-L290 HydrophobicContact CD2-CD1 3.8Å; F267-L290 HydrophobicContact CE2-CD1 3.72Å; A286-L290 WeakPolarHBondContact O-CG 3.48Å; A286-L290 PolarHBondContact O-N 3.43Å; F287-L290 PolarHBondContact O-N 3.1Å; L290-K292 PolarHBondContact O-N 3.22Å; L290-D293 WeakPolarHBondContact O-CB 2.84Å; L290-D293 PolarHBondContact O-N 2.67Å; L290-V298 HydrophobicContact CD2-CG1 3.75Å; L290-A302 HydrophobicContact CB-CB 3.97Å
291	L	98.3	Very high	97.8	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-65.3	-22.4	172.7	-68.3	170.3	0	0	0	112.1	F287 Q288 R299 A302 V306 C329 L333	F287-L291 HydrophobicContact CD1-CD1 3.79Å; F287-L291 HydrophobicContact CD1-CG 4.34Å; F287-L291 HydrophobicContact CE1-CD1 3.72Å; F287-L291 HydrophobicContact CE1-CD2 4.34Å; F287-L291 HydrophobicContact CE1-CG 4.21Å; F287-L291 HydrophobicContact CG-CD1 4.45Å; F287-L291 HydrophobicContact CZ-CD1 4.34Å; F287-L291 HydrophobicContact CZ-CD2 4.16Å; F287-L291 HydrophobicContact CZ-CG 4.35Å; F287-L291 VanDerWaalsContact O-CG 3.29Å; F287-L291 WeakPolarHBondContact O-CG 3.26Å; F287-L291 PolarHBondContact O-N 3.39Å; Q288-L291 PolarHBondContact O-N 3.43Å; L291-R299 VanDerWaalsContact O-CD 3.31Å; L291-R299 WeakPolarHBondContact O-CD 3.37Å; L291-A302 HydrophobicContact CD2-CB 3.73Å; L291-A302 HydrophobicContact CG-CB 4.21Å; L291-V306 HydrophobicContact CD2-CG2 3.75Å; L291-C329 HydrophobicContact CB-CB 4.12Å; L291-C329 HydrophobicContact CD1-CB 3.85Å; L291-L333 HydrophobicContact CB-CD1 4.14Å; L291-L333 HydrophobicContact CD2-CD1 3.58Å; L291-L333 HydrophobicContact CG-CD1 4.35Å; L291-L333 WeakPolarHBondContact O-CD2 3.31Å
292	K	97.9	Very high	98	Very high	102 Å²	102	34 Å²	34	44%	0.443	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	16.1	179.2	-65.1	-175.3	175	-147.5	0	113.1	Q288 N289 L290 C329 E332	Q288-K292 WeakPolarHBondContact O-CB 3.44Å; Q288-K292 WeakPolarHBondContact O-CG 3.43Å; Q288-K292 PolarHBondContact O-N 2.87Å; Q288-K292 VanDerWaalsContact O-N 3.15Å; N289-K292 CarbonylContact O-C 3.46Å; N289-K292 VanDerWaalsContact O-C 3.26Å; N289-K292 WeakPolarHBondContact O-CA 3.49Å; N289-K292 PolarHBondContact O-N 3.33Å; N289-K292 VanDerWaalsContact O-N 3.09Å; L290-K292 PolarHBondContact O-N 3.22Å; K292-C329 WeakPolarHBondContact CE-SG 3.44Å; K292-E332 WeakPolarHBondContact CE-OE2 3.48Å; K292-E332 VanDerWaalsContact NZ-CD 3.34Å; K292-E332 IonicContact NZ-OE1 2.98Å; K292-E332 PolarHBondContact NZ-OE1 3.32Å; K292-E332 IonicContact NZ-OE2 3.53Å; K292-E332 PolarHBondContact NZ-OE2 3.36Å; K292-E332 VanDerWaalsContact NZ-OE2 3.1Å
293	D	98.6	Very high	98.1	Very high	16 Å²	16	32.6 Å²	32.6	9%	0.086	18%	0.178	C	C	.	.			trans	-59.3	148.9	-177	-160.9	-76.8	0	0	0	111.4	R260 N289 L290 E295 V298 R299	R260-D293 IonicContact CZ-OD1 3.47Å; R260-D293 IonicContact CZ-OD2 3.5Å; R260-D293 IonicContact NE-OD1 2.7Å; R260-D293 IonicContact NE-OD2 3.16Å; R260-D293 PolarHBondContact NE-OD2 3.01Å; R260-D293 IonicContact NH2-OD1 3.37Å; R260-D293 PolarHBondContact NH2-OD1 2.93Å; R260-D293 IonicContact NH2-OD2 3.95Å; R260-D293 PolarHBondContact NH2-OD2 3.04Å; N289-D293 PolarHBondContact O-N 2.79Å; L290-D293 WeakPolarHBondContact O-CB 2.84Å; L290-D293 PolarHBondContact O-N 2.67Å; D293-E295 VanDerWaalsContact C-N 3.26Å; D293-E295 PolarHBondContact O-N 3.46Å; D293-E295 PolarHBondContact OD1-N 3.17Å; D293-V298 HydrophobicContact CB-CB 3.79Å; D293-V298 HydrophobicContact CB-CG1 3.72Å; D293-R299 HydrophobicContact CB-CG 3.96Å; D293-R299 WeakPolarHBondContact O-CD 3.47Å; D293-R299 VanDerWaalsContact O-CG 3.3Å; D293-R299 WeakPolarHBondContact O-CG 3.4Å; D293-R299 PolarHBondContact O-NH1 2.82Å
294	C	97.2	Very high	98.1	Very high	103 Å²	103	35.8 Å²	35.8	70%	0.696	20%	0.195	S	C	*	.	S	Bend	trans	-66.1	-30.4	176.6	55.5	0	0	0	0	112.4	R299	C294-R299 PolarHBondContact O-NH1 3.2Å; C294-R299 VanDerWaalsContact O-NH1 3.1Å
295	E	98.3	Very high	98.2	Very high	80 Å²	80	37.4 Å²	37.4	37%	0.374	20%	0.202	S	C	.	.	S	Bend	trans	-90.3	132.6	-179.6	-61.6	-60	164.3	0	0	112.2	W257 D293 E297 V298 R299	W257-E295 HydrophobicContact CB-CB 4.12Å; W257-E295 HydrophobicContact CB-CG 3.6Å; W257-E295 HydrophobicContact CG-CG 4.05Å; D293-E295 VanDerWaalsContact C-N 3.26Å; D293-E295 PolarHBondContact O-N 3.46Å; D293-E295 PolarHBondContact OD1-N 3.17Å; E295-E297 VanDerWaalsContact C-N 3.33Å; E295-E297 PolarHBondContact O-N 3.38Å; E295-V298 HydrophobicContact CB-CG2 4.13Å; E295-V298 PolarHBondContact O-N 3.46Å; E295-R299 PolarHBondContact O-N 3.02Å
296	A	98.1	Very high	98.2	Very high	14 Å²	14	34.7 Å²	34.7	12%	0.116	19%	0.185	C	C	.	.	H	α-helix	trans	-68.2	-33	-175.1	0	0	0	0	0	112.6	V298 R299 A300 N338 V341	A296-V298 VanDerWaalsContact C-N 3.31Å; A296-V298 PolarHBondContact O-N 3.42Å; A296-R299 PolarHBondContact O-N 3.25Å; A296-A300 VanDerWaalsContact O-CB 3.31Å; A296-A300 WeakPolarHBondContact O-CB 3.37Å; A296-A300 PolarHBondContact O-N 3.23Å; A296-N338 HydrophobicContact CB-CB 3.88Å; A296-N338 WeakPolarHBondContact CB-ND2 3.32Å; A296-V341 HydrophobicContact CB-CG2 4.05Å; A296-V341 WeakPolarHBondContact O-CG2 3.46Å
297	E	98.3	Very high	98.1	Very high	93 Å²	93	37 Å²	37	44%	0.435	19%	0.191	S	C	.	.	H	α-helix	trans	-61.8	-39.8	177.5	-69.4	87.5	156.3	0	0	111.6	W257 Y261 E295 A301	W257-E297 HydrophobicContact CE3-CB 4.19Å; W257-E297 HydrophobicContact CH2-CB 4.49Å; W257-E297 HydrophobicContact CH2-CG 4.42Å; W257-E297 HydrophobicContact CZ3-CB 3.81Å; W257-E297 HydrophobicContact CZ3-CG 4.22Å; Y261-E297 HydrophobicContact CD2-CB 4.32Å; Y261-E297 WeakPolarHBondContact CD2-O 3.47Å; E295-E297 VanDerWaalsContact C-N 3.33Å; E295-E297 PolarHBondContact O-N 3.38Å; E297-A301 WeakPolarHBondContact O-CB 3.41Å; E297-A301 PolarHBondContact O-N 2.63Å
298	V	98.6	Very high	98.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-69.5	-46.5	176.8	-176.5	0	0	0	0	110	W257 R260 A264 L290 D293 E295 A296 A300 A301 A302	W257-V298 HydrophobicContact CB-CG2 4.12Å; W257-V298 HydrophobicContact CE3-CG2 4.32Å; W257-V298 WeakPolarHBondContact O-CG2 3.49Å; R260-V298 HydrophobicContact CB-CG1 4.26Å; R260-V298 HydrophobicContact CB-CG2 4.35Å; A264-V298 HydrophobicContact CB-CG1 4.45Å; L290-V298 HydrophobicContact CD2-CG1 3.75Å; D293-V298 HydrophobicContact CB-CB 3.79Å; D293-V298 HydrophobicContact CB-CG1 3.72Å; E295-V298 HydrophobicContact CB-CG2 4.13Å; E295-V298 PolarHBondContact O-N 3.46Å; A296-V298 VanDerWaalsContact C-N 3.31Å; A296-V298 PolarHBondContact O-N 3.42Å; V298-A300 VanDerWaalsContact C-N 3.31Å; V298-A300 PolarHBondContact O-N 3.49Å; V298-A301 PolarHBondContact O-N 3.12Å; V298-A302 WeakPolarHBondContact O-CB 3.45Å; V298-A302 PolarHBondContact O-N 3.23Å
299	R	98.6	Very high	98	Very high	30 Å²	30	37.6 Å²	37.6	11%	0.113	19%	0.194	C	C	.	.	H	α-helix	trans	-59.7	-40.5	176.3	-65.4	-159.6	-57	-75.5	1.7	112.2	L291 D293 C294 E295 A296 A302 A303 L333 D336 V341	L291-R299 VanDerWaalsContact O-CD 3.31Å; L291-R299 WeakPolarHBondContact O-CD 3.37Å; D293-R299 HydrophobicContact CB-CG 3.96Å; D293-R299 WeakPolarHBondContact O-CD 3.47Å; D293-R299 VanDerWaalsContact O-CG 3.3Å; D293-R299 WeakPolarHBondContact O-CG 3.4Å; D293-R299 PolarHBondContact O-NH1 2.82Å; C294-R299 PolarHBondContact O-NH1 3.2Å; C294-R299 VanDerWaalsContact O-NH1 3.1Å; E295-R299 PolarHBondContact O-N 3.02Å; A296-R299 PolarHBondContact O-N 3.25Å; R299-A302 PolarHBondContact O-N 3.4Å; R299-A303 WeakPolarHBondContact O-CB 3.41Å; R299-A303 PolarHBondContact O-N 3.4Å; R299-L333 HydrophobicContact CB-CD2 4.35Å; R299-D336 IonicContact CZ-OD1 3.04Å; R299-D336 IonicContact CZ-OD2 3.77Å; R299-D336 IonicContact NE-OD2 3.91Å; R299-D336 PolarHBondContact NE-OD2 3.44Å; R299-D336 IonicContact NH2-OD1 2.83Å; R299-D336 PolarHBondContact NH2-OD1 3.02Å; R299-D336 IonicContact NH2-OD2 2.79Å; R299-D336 PolarHBondContact NH2-OD2 3.5Å; R299-D336 VanDerWaalsContact NH2-OD2 3.08Å; R299-V341 HydrophobicContact CB-CG1 4.08Å; R299-V341 HydrophobicContact CB-CG2 3.95Å
300	A	98.3	Very high	98	Very high	15 Å²	15	33.3 Å²	33.3	12%	0.124	17%	0.171	C	C	.	.	H	α-helix	trans	-66.4	-42.9	178.1	0	0	0	0	0	111.9	A296 V298 A303 N304 V341 A344	A296-A300 VanDerWaalsContact O-CB 3.31Å; A296-A300 WeakPolarHBondContact O-CB 3.37Å; A296-A300 PolarHBondContact O-N 3.23Å; V298-A300 VanDerWaalsContact C-N 3.31Å; V298-A300 PolarHBondContact O-N 3.49Å; A300-A303 PolarHBondContact O-N 3.19Å; A300-N304 PolarHBondContact O-N 3.36Å; A300-N304 VanDerWaalsContact O-N 3.13Å; A300-N304 PolarHBondContact O-ND2 3.03Å; A300-V341 HydrophobicContact CB-CG2 4.08Å; A300-A344 HydrophobicContact CB-CB 4.23Å; A300-A344 WeakPolarHBondContact O-CB 3.45Å
301	A	98.3	Very high	97.9	Very high	9 Å²	9	36.5 Å²	36.5	7%	0.074	19%	0.186	C	C	.	.	H	α-helix	trans	-60.4	-46.8	174.1	0	0	0	0	0	111.4	Y261 A264 E297 V298 N304	Y261-A301 HydrophobicContact CD2-CB 3.84Å; Y261-A301 HydrophobicContact CE2-CB 3.67Å; A264-A301 HydrophobicContact CB-CB 3.8Å; E297-A301 WeakPolarHBondContact O-CB 3.41Å; E297-A301 PolarHBondContact O-N 2.63Å; V298-A301 PolarHBondContact O-N 3.12Å; A301-N304 PolarHBondContact O-N 3.08Å
302	A	98.5	Very high	97.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64.4	-42.9	177.5	0	0	0	0	0	112.2	A264 F287 L290 L291 V298 R299 N304 K305 V306	A264-A302 HydrophobicContact CB-CB 4.25Å; F287-A302 HydrophobicContact CE2-CB 4.14Å; F287-A302 WeakPolarHBondContact CZ-O 3.38Å; L290-A302 HydrophobicContact CB-CB 3.97Å; L291-A302 HydrophobicContact CD2-CB 3.73Å; L291-A302 HydrophobicContact CG-CB 4.21Å; V298-A302 WeakPolarHBondContact O-CB 3.45Å; V298-A302 PolarHBondContact O-N 3.23Å; R299-A302 PolarHBondContact O-N 3.4Å; A302-N304 VanDerWaalsContact C-N 3.29Å; A302-N304 PolarHBondContact O-N 2.82Å; A302-K305 PolarHBondContact O-N 3.31Å; A302-V306 PolarHBondContact O-N 3.46Å
303	A	98.3	Very high	97.7	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-57.9	-40.6	178.4	0	0	0	0	0	112.2	R299 A300 K305 V306 L333 A344 L345 V348	R299-A303 WeakPolarHBondContact O-CB 3.41Å; R299-A303 PolarHBondContact O-N 3.4Å; A300-A303 PolarHBondContact O-N 3.19Å; A303-K305 PolarHBondContact O-N 2.92Å; A303-V306 WeakPolarHBondContact O-CB 3.47Å; A303-V306 WeakPolarHBondContact O-CG2 3.44Å; A303-V306 PolarHBondContact O-N 2.95Å; A303-L333 HydrophobicContact CB-CD1 4.38Å; A303-A344 HydrophobicContact CB-CB 4.16Å; A303-L345 HydrophobicContact CB-CB 4.12Å; A303-V348 VanDerWaalsContact O-CG2 3.26Å; A303-V348 WeakPolarHBondContact O-CG2 3.36Å
304	N	97.5	Very high	97.4	Very high	72 Å²	72	35.6 Å²	35.6	39%	0.385	19%	0.187	S	C	.	.	H	α-helix	trans	-64.6	-21.2	175.6	-80.6	-35.1	0	0	0	113.7	A300 A301 A302 A344 S347	A300-N304 PolarHBondContact O-N 3.36Å; A300-N304 VanDerWaalsContact O-N 3.13Å; A300-N304 PolarHBondContact O-ND2 3.03Å; A301-N304 PolarHBondContact O-N 3.08Å; A302-N304 VanDerWaalsContact C-N 3.29Å; A302-N304 PolarHBondContact O-N 2.82Å; N304-A344 WeakPolarHBondContact OD1-CA 3.37Å; N304-A344 VanDerWaalsContact OD1-CB 3.24Å; N304-A344 WeakPolarHBondContact OD1-CB 3.37Å; N304-A344 PolarHBondContact OD1-O 3.13Å; N304-A344 VanDerWaalsContact OD1-O 3.07Å; N304-S347 PolarHBondContact OD1-OG 3.36Å
305	K	98	Very high	97.1	Very high	37 Å²	37	38.2 Å²	38.2	16%	0.161	19%	0.189	C	C	.	.	H	α-helix	trans	-93.9	-4.6	179	-59.1	-57.3	-173.8	162.5	0	113.8	A264 D265 F287 A302 A303 K307 E308 F309	A264-K305 WeakPolarHBondContact O-CG 3.41Å; D265-K305 WeakPolarHBondContact O-CE 3.47Å; D265-K305 PolarHBondContact O-NZ 3.49Å; D265-K305 VanDerWaalsContact O-NZ 3.12Å; F287-K305 HydrophobicContact CE2-CB 4.19Å; F287-K305 HydrophobicContact CZ-CB 4.25Å; A302-K305 PolarHBondContact O-N 3.31Å; A303-K305 PolarHBondContact O-N 2.92Å; K305-K307 PolarHBondContact O-N 3.47Å; K305-E308 PolarHBondContact O-N 2.96Å; K305-F309 VanDerWaalsContact O-CB 3.29Å; K305-F309 WeakPolarHBondContact O-CB 3.26Å; K305-F309 PolarHBondContact O-N 3.11Å
306	V	98.1	Very high	96.8	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-54.3	-48.9	-174.6	167.5	0	0	0	0	112.2	F287 L291 A302 A303 C310 I326 V330 L345 V348 L352	F287-V306 HydrophobicContact CE1-CG2 4.1Å; F287-V306 HydrophobicContact CZ-CG2 4.01Å; L291-V306 HydrophobicContact CD2-CG2 3.75Å; A302-V306 PolarHBondContact O-N 3.46Å; A303-V306 WeakPolarHBondContact O-CB 3.47Å; A303-V306 WeakPolarHBondContact O-CG2 3.44Å; A303-V306 PolarHBondContact O-N 2.95Å; V306-C310 WeakPolarHBondContact O-CB 3.3Å; V306-C310 PolarHBondContact O-N 3.25Å; V306-C310 PolarHBondContact O-SG 3.43Å; V306-I326 HydrophobicContact CG1-CG2 4.36Å; V306-V330 HydrophobicContact CG1-CG2 3.99Å; V306-L345 HydrophobicContact CG2-CD1 4.49Å; V306-V348 HydrophobicContact CB-CG2 4.49Å; V306-L352 HydrophobicContact CG1-CD1 4Å; V306-L352 HydrophobicContact CG1-CD2 4.15Å; V306-L352 HydrophobicContact CG1-CG 4.44Å
307	K	96.3	Very high	96.4	Very high	67 Å²	67	43.3 Å²	43.3	29%	0.291	22%	0.217	S	C	.	.	H	α-helix	trans	-60.1	-57.9	179.7	177.5	-171	174	-179	0	111.4	K305 F309 C310 E311 V348	K305-K307 PolarHBondContact O-N 3.47Å; K307-F309 VanDerWaalsContact C-N 3.31Å; K307-F309 PolarHBondContact O-N 2.97Å; K307-C310 PolarHBondContact O-N 3.18Å; K307-E311 WeakPolarHBondContact CE-OE1 3.45Å; K307-E311 HydrophobicContact CG-CG 4.4Å; K307-E311 IonicContact NZ-OE1 3.81Å; K307-E311 WeakPolarHBondContact O-CG 3.49Å; K307-E311 PolarHBondContact O-N 2.63Å; K307-V348 HydrophobicContact CB-CB 3.92Å
308	E	97.4	Very high	96.3	Very high	57 Å²	57	41.7 Å²	41.7	27%	0.266	21%	0.207	S	C	.	.	H	α-helix	trans	-62	-38.9	-176	-177.3	178.4	-167.2	0	0	111.8	S268 K272 K305 E311 N312	S268-E308 WeakPolarHBondContact CB-OE1 3.47Å; S268-E308 WeakPolarHBondContact CB-OE2 3.48Å; S268-E308 WeakPolarHBondContact OG-CG 3.17Å; S268-E308 PolarHBondContact OG-OE2 3.32Å; K272-E308 IonicContact NZ-OE1 2.95Å; K272-E308 PolarHBondContact NZ-OE1 3.37Å; K305-E308 PolarHBondContact O-N 2.96Å; E308-E311 PolarHBondContact O-N 3.44Å; E308-N312 WeakPolarHBondContact CG-ND2 3.44Å; E308-N312 PolarHBondContact O-N 2.88Å; E308-N312 VanDerWaalsContact O-N 3.15Å; E308-N312 PolarHBondContact O-ND2 3.4Å
309	F	97.9	Very high	96.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-60.6	-48.4	175.7	178.2	-105.9	0	0	0	111.3	F267 Q271 T279 L283 V284 F287 K305 K307 N312 L313 I326	F267-F309 AromaticContact CD1-CD2 3.77Å; F267-F309 HydrophobicContact CD1-CD2 3.77Å; F267-F309 HydrophobicContact CD1-CE2 4.19Å; F267-F309 HydrophobicContact CD1-CG 4.45Å; F267-F309 AromaticContact CE1-CD2 3.56Å; F267-F309 HydrophobicContact CE1-CD2 3.56Å; F267-F309 AromaticContact CE1-CE2 3.51Å; F267-F309 HydrophobicContact CE1-CE2 3.51Å; F267-F309 HydrophobicContact CE1-CG 4.35Å; F267-F309 HydrophobicContact CE1-CZ 4.24Å; Q271-F309 VanDerWaalsContact CD-CD2 3.44Å; Q271-F309 HydrophobicContact CG-CD2 4.3Å; Q271-F309 HydrophobicContact CG-CE2 4.31Å; Q271-F309 PolarHBondContact NE2-O 3.17Å; T279-F309 HydrophobicContact CG2-CE2 3.98Å; T279-F309 HydrophobicContact CG2-CZ 4.31Å; L283-F309 HydrophobicContact CB-CE2 4.33Å; V284-F309 HydrophobicContact CG2-CE1 4.27Å; V284-F309 HydrophobicContact CG2-CZ 3.83Å; F287-F309 HydrophobicContact CB-CE1 4.39Å; F287-F309 HydrophobicContact CB-CZ 4.38Å; F287-F309 AromaticContact CD1-CD1 3.47Å; F287-F309 HydrophobicContact CD1-CD1 3.47Å; F287-F309 VanDerWaalsContact CD1-CD1 3.47Å; F287-F309 AromaticContact CD1-CE1 3.73Å; F287-F309 HydrophobicContact CD1-CE1 3.73Å; F287-F309 HydrophobicContact CD1-CG 4Å; F287-F309 HydrophobicContact CD1-CZ 4.45Å; F287-F309 HydrophobicContact CE1-CB 4.08Å; F287-F309 AromaticContact CE1-CD1 3.64Å; F287-F309 HydrophobicContact CE1-CD1 3.64Å; F287-F309 HydrophobicContact CE1-CE1 4.36Å; F287-F309 AromaticContact CE1-CG 3.99Å; F287-F309 HydrophobicContact CE1-CG 3.99Å; F287-F309 HydrophobicContact CG-CD1 4.2Å; F287-F309 HydrophobicContact CG-CE1 4.27Å; F287-F309 HydrophobicContact CG-CG 4.43Å; F287-F309 HydrophobicContact CZ-CB 4.16Å; F287-F309 HydrophobicContact CZ-CD1 4.48Å; F287-F309 HydrophobicContact CZ-CG 4.4Å; K305-F309 VanDerWaalsContact O-CB 3.29Å; K305-F309 WeakPolarHBondContact O-CB 3.26Å; K305-F309 PolarHBondContact O-N 3.11Å; K307-F309 VanDerWaalsContact C-N 3.31Å; K307-F309 PolarHBondContact O-N 2.97Å; F309-N312 PolarHBondContact O-N 3.35Å; F309-L313 HydrophobicContact CE1-CD1 4.39Å; F309-L313 HydrophobicContact CE1-CD2 4.09Å; F309-L313 HydrophobicContact CE1-CG 4.43Å; F309-L313 HydrophobicContact CE2-CD2 4.44Å; F309-L313 HydrophobicContact CZ-CD2 3.91Å; F309-L313 PolarHBondContact O-N 3.23Å; F309-I326 HydrophobicContact CE1-CD1 4.04Å; F309-I326 HydrophobicContact CE1-CG1 4.45Å
310	C	97.3	Very high	96	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-64.6	-38.5	179.4	-70.9	0	0	0	0	113	V306 K307 N312 L313 R318 I322 L352 I355	V306-C310 WeakPolarHBondContact O-CB 3.3Å; V306-C310 PolarHBondContact O-N 3.25Å; V306-C310 PolarHBondContact O-SG 3.43Å; K307-C310 PolarHBondContact O-N 3.18Å; C310-N312 VanDerWaalsContact C-N 3.31Å; C310-N312 PolarHBondContact O-N 2.83Å; C310-L313 PolarHBondContact O-N 2.97Å; C310-R318 WeakPolarHBondContact O-CD 3.47Å; C310-I322 HydrophobicContact CB-CD1 3.73Å; C310-I322 HydrophobicContact CB-CG1 4.02Å; C310-L352 HydrophobicContact CB-CD2 3.8Å; C310-I355 HydrophobicContact CB-CD1 3.82Å
311	E	96.1	Very high	95.9	Very high	70 Å²	70	51 Å²	51	33%	0.327	25%	0.25	S	C	.	.	H	α-helix	trans	-63.2	-37.8	176.8	-73.4	176.3	164	0	0	111.8	K307 E308 L313 R318 I355	K307-E311 WeakPolarHBondContact CE-OE1 3.45Å; K307-E311 HydrophobicContact CG-CG 4.4Å; K307-E311 IonicContact NZ-OE1 3.81Å; K307-E311 WeakPolarHBondContact O-CG 3.49Å; K307-E311 PolarHBondContact O-N 2.63Å; E308-E311 PolarHBondContact O-N 3.44Å; E311-L313 VanDerWaalsContact C-N 3.34Å; E311-L313 PolarHBondContact O-N 3.43Å; E311-R318 VanDerWaalsContact O-CZ 3.24Å; E311-R318 PolarHBondContact O-NE 3.36Å; E311-R318 PolarHBondContact O-NH2 3.31Å; E311-R318 VanDerWaalsContact O-NH2 3.11Å; E311-I355 HydrophobicContact CB-CD1 4.4Å; E311-I355 HydrophobicContact CG-CD1 3.43Å; E311-I355 VanDerWaalsContact CG-CD1 3.43Å; E311-I355 HydrophobicContact CG-CG1 3.92Å
312	N	96	Very high	95.8	Very high	70 Å²	70	50.6 Å²	50.6	37%	0.374	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	2.6	-177.5	-68	-46.2	0	0	0	114.3	E308 F309 C310	E308-N312 WeakPolarHBondContact CG-ND2 3.44Å; E308-N312 PolarHBondContact O-N 2.88Å; E308-N312 VanDerWaalsContact O-N 3.15Å; E308-N312 PolarHBondContact O-ND2 3.4Å; F309-N312 PolarHBondContact O-N 3.35Å; C310-N312 VanDerWaalsContact C-N 3.31Å; C310-N312 PolarHBondContact O-N 2.83Å
313	L	96.4	Very high	95.7	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	26%	0.257	C	S	.	.	S	Bend	trans	-68.2	150.2	173	-73.4	172	0	0	0	111.4	T279 V284 F309 C310 E311 E315 R318 I321 I322	T279-L313 HydrophobicContact CG2-CD2 3.88Å; V284-L313 HydrophobicContact CG2-CD2 4.13Å; F309-L313 HydrophobicContact CE1-CD1 4.39Å; F309-L313 HydrophobicContact CE1-CD2 4.09Å; F309-L313 HydrophobicContact CE1-CG 4.43Å; F309-L313 HydrophobicContact CE2-CD2 4.44Å; F309-L313 HydrophobicContact CZ-CD2 3.91Å; F309-L313 PolarHBondContact O-N 3.23Å; C310-L313 PolarHBondContact O-N 2.97Å; E311-L313 VanDerWaalsContact C-N 3.34Å; E311-L313 PolarHBondContact O-N 3.43Å; L313-E315 PolarHBondContact O-N 3.36Å; L313-R318 HydrophobicContact CB-CB 4.21Å; L313-R318 HydrophobicContact CB-CG 4.01Å; L313-R318 PolarHBondContact O-NE 3.48Å; L313-R318 PolarHBondContact O-NH2 3.11Å; L313-I321 HydrophobicContact CD1-CB 4.17Å; L313-I321 HydrophobicContact CD1-CG2 3.74Å; L313-I321 HydrophobicContact CD2-CD1 4.47Å; L313-I321 HydrophobicContact CD2-CG2 4.38Å; L313-I322 HydrophobicContact CD1-CG1 3.91Å
314	P	92.5	Very high	95.6	Very high	30 Å²	30	55.7 Å²	55.7	20%	0.195	28%	0.277	C	S	.	.			trans	-57.5	130.4	176.8	-22.5	33.2	0	0	0	111.9	P276 D316 N317 R318	P276-P314 HydrophobicContact CB-CB 4.48Å; P276-P314 HydrophobicContact CB-CG 3.62Å; P314-D316 VanDerWaalsContact C-N 3.27Å; P314-D316 PolarHBondContact O-N 3.36Å; P314-N317 PolarHBondContact O-N 3.05Å; P314-R318 WeakPolarHBondContact O-CA 3.37Å; P314-R318 WeakPolarHBondContact O-CB 3.35Å; P314-R318 PolarHBondContact O-N 2.88Å
315	E	91	Very high	95.5	Very high	157 Å²	157	55.7 Å²	55.7	73%	0.734	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-54.4	-40.8	-173.5	-69.7	-174.2	171.3	0	0	112.9	L313 N317 R318	L313-E315 PolarHBondContact O-N 3.36Å; E315-N317 PolarHBondContact O-N 3.17Å; E315-N317 VanDerWaalsContact O-N 3.17Å; E315-R318 VanDerWaalsContact CG-NH2 3.3Å; E315-R318 PolarHBondContact O-N 2.7Å; E315-R318 IonicContact OE1-NH2 3.71Å
316	D	90.5	Very high	95.5	Very high	159 Å²	159	54 Å²	54	85%	0.85	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-61.1	-27.6	-176.2	-60.7	-27.3	0	0	0	114.4	P314	P314-D316 VanDerWaalsContact C-N 3.27Å; P314-D316 PolarHBondContact O-N 3.36Å
317	N	91.4	Very high	95.5	Very high	42 Å²	42	54.2 Å²	54.2	23%	0.225	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-125.1	3.3	-178.7	-68.3	111.1	0	0	0	113.4	K280 P314 E315 E319 Q320 I321	K280-N317 PolarHBondContact NZ-OD1 3.47Å; P314-N317 PolarHBondContact O-N 3.05Å; E315-N317 PolarHBondContact O-N 3.17Å; E315-N317 VanDerWaalsContact O-N 3.17Å; N317-E319 PolarHBondContact O-N 3.36Å; N317-Q320 PolarHBondContact ND2-OE1 3.43Å; N317-Q320 PolarHBondContact O-N 3.22Å; N317-I321 HydrophobicContact CB-CD1 3.84Å; N317-I321 HydrophobicContact CB-CG1 4.24Å; N317-I321 WeakPolarHBondContact O-CB 3.3Å; N317-I321 VanDerWaalsContact O-CG1 3.3Å; N317-I321 WeakPolarHBondContact O-CG1 3.25Å; N317-I321 PolarHBondContact O-N 3.12Å
318	R	94.9	Very high	95.5	Very high	60 Å²	60	53.5 Å²	53.5	23%	0.226	27%	0.271	C	S	.	.	H	α-helix	trans	-54.4	-57.4	-172.1	179.4	177.5	-56.7	159.5	-0.6	111.7	C310 E311 L313 P314 E315 Q320 I321 I322 I355	C310-R318 WeakPolarHBondContact O-CD 3.47Å; E311-R318 VanDerWaalsContact O-CZ 3.24Å; E311-R318 PolarHBondContact O-NE 3.36Å; E311-R318 PolarHBondContact O-NH2 3.31Å; E311-R318 VanDerWaalsContact O-NH2 3.11Å; L313-R318 HydrophobicContact CB-CB 4.21Å; L313-R318 HydrophobicContact CB-CG 4.01Å; L313-R318 PolarHBondContact O-NE 3.48Å; L313-R318 PolarHBondContact O-NH2 3.11Å; P314-R318 WeakPolarHBondContact O-CA 3.37Å; P314-R318 WeakPolarHBondContact O-CB 3.35Å; P314-R318 PolarHBondContact O-N 2.88Å; E315-R318 VanDerWaalsContact CG-NH2 3.3Å; E315-R318 PolarHBondContact O-N 2.7Å; E315-R318 IonicContact OE1-NH2 3.71Å; R318-Q320 PolarHBondContact O-N 3.49Å; R318-I321 PolarHBondContact O-N 2.86Å; R318-I322 HydrophobicContact CG-CD1 3.69Å; R318-I322 WeakPolarHBondContact O-CG1 3.22Å; R318-I322 PolarHBondContact O-N 3.29Å; R318-I355 VanDerWaalsContact CD-CG2 3.48Å; R318-I355 HydrophobicContact CG-CG2 4.03Å
319	E	94.9	Very high	95.5	Very high	103 Å²	103	50.9 Å²	50.9	48%	0.481	26%	0.259	S	S	.	.	H	α-helix	trans	-59.4	-47.3	-178.5	-173.6	-178.7	155.3	0	0	111.3	N317 I321 I322 M323 L356 N360	N317-E319 PolarHBondContact O-N 3.36Å; E319-I321 PolarHBondContact O-N 2.77Å; E319-I322 PolarHBondContact O-N 3.19Å; E319-M323 HydrophobicContact CG-CG 4.18Å; E319-M323 WeakPolarHBondContact O-CB 3.37Å; E319-M323 WeakPolarHBondContact O-CG 3.32Å; E319-M323 PolarHBondContact O-N 2.89Å; E319-L356 HydrophobicContact CG-CD2 4.1Å; E319-N360 PolarHBondContact OE1-ND2 3.06Å
320	Q	95.6	Very high	95.5	Very high	127 Å²	127	50.9 Å²	50.9	59%	0.593	26%	0.259	S	S	*	.	H	α-helix	trans	-58.5	-47.6	179.8	-174.3	-174.7	7.9	0	0	111.7	N317 R318 M323 S324	N317-Q320 PolarHBondContact ND2-OE1 3.43Å; N317-Q320 PolarHBondContact O-N 3.22Å; R318-Q320 PolarHBondContact O-N 3.49Å; Q320-M323 PolarHBondContact O-N 3.42Å; Q320-S324 WeakPolarHBondContact O-CB 3.48Å; Q320-S324 PolarHBondContact O-N 3.15Å; Q320-S324 PolarHBondContact O-OG 2.92Å
321	I	96.3	Very high	95.5	Very high	10 Å²	10	55.4 Å²	55.4	5%	0.051	28%	0.278	C	S	.	.	H	α-helix	trans	-62.8	-47.3	179.8	-69.4	167.9	0	0	0	110.2	K280 V284 L313 N317 R318 E319 M323 S324 H325 I326	K280-I321 HydrophobicContact CG-CD1 4.14Å; V284-I321 HydrophobicContact CG1-CG2 3.99Å; V284-I321 HydrophobicContact CG2-CG2 3.71Å; L313-I321 HydrophobicContact CD1-CB 4.17Å; L313-I321 HydrophobicContact CD1-CG2 3.74Å; L313-I321 HydrophobicContact CD2-CD1 4.47Å; L313-I321 HydrophobicContact CD2-CG2 4.38Å; N317-I321 HydrophobicContact CB-CD1 3.84Å; N317-I321 HydrophobicContact CB-CG1 4.24Å; N317-I321 WeakPolarHBondContact O-CB 3.3Å; N317-I321 VanDerWaalsContact O-CG1 3.3Å; N317-I321 WeakPolarHBondContact O-CG1 3.25Å; N317-I321 PolarHBondContact O-N 3.12Å; R318-I321 PolarHBondContact O-N 2.86Å; E319-I321 PolarHBondContact O-N 2.77Å; I321-M323 VanDerWaalsContact C-N 3.34Å; I321-M323 PolarHBondContact O-N 2.91Å; I321-S324 PolarHBondContact O-N 3.5Å; I321-H325 WeakPolarHBondContact O-CB 3.37Å; I321-H325 PolarHBondContact O-N 2.86Å; I321-I326 PolarHBondContact O-N 3.43Å
322	I	97.3	Very high	95.5	Very high	1 Å²	1	57 Å²	57	1%	0.005	29%	0.286	C	S	.	.	I	π-helix	trans	-58.8	-49.9	179.4	-64.8	167.3	0	0	0	109.9	C310 L313 R318 E319 S324 I326 L327 I355 L356	C310-I322 HydrophobicContact CB-CD1 3.73Å; C310-I322 HydrophobicContact CB-CG1 4.02Å; L313-I322 HydrophobicContact CD1-CG1 3.91Å; R318-I322 HydrophobicContact CG-CD1 3.69Å; R318-I322 WeakPolarHBondContact O-CG1 3.22Å; R318-I322 PolarHBondContact O-N 3.29Å; E319-I322 PolarHBondContact O-N 3.19Å; I322-S324 PolarHBondContact O-N 3.25Å; I322-I326 PolarHBondContact O-N 2.66Å; I322-I326 VanDerWaalsContact O-N 3.16Å; I322-L327 VanDerWaalsContact O-CB 3.31Å; I322-L327 WeakPolarHBondContact O-CB 3.2Å; I322-L327 PolarHBondContact O-N 3.27Å; I322-I355 HydrophobicContact CD1-CG2 3.66Å; I322-L356 HydrophobicContact CB-CD2 4.06Å; I322-L356 HydrophobicContact CD1-CD2 4.15Å; I322-L356 HydrophobicContact CG2-CD1 4.05Å; I322-L356 HydrophobicContact CG2-CD2 3.79Å; I322-L356 HydrophobicContact CG2-CG 4.25Å
323	M	96.6	Very high	95.6	Very high	46 Å²	46	53.9 Å²	53.9	23%	0.227	27%	0.269	C	S	.	.	I	π-helix	trans	-65.8	-39	-175.6	-70	-60.5	-72.2	0	0	113.3	E319 Q320 I321 L327 L356 H364	E319-M323 HydrophobicContact CG-CG 4.18Å; E319-M323 WeakPolarHBondContact O-CB 3.37Å; E319-M323 WeakPolarHBondContact O-CG 3.32Å; E319-M323 PolarHBondContact O-N 2.89Å; Q320-M323 PolarHBondContact O-N 3.42Å; I321-M323 VanDerWaalsContact C-N 3.34Å; I321-M323 PolarHBondContact O-N 2.91Å; M323-L327 HydrophobicContact CE-CD2 3.98Å; M323-L327 HydrophobicContact SD-CD2 3.68Å; M323-L356 HydrophobicContact CG-CD2 4.31Å; M323-L356 HydrophobicContact SD-CD1 4.06Å; M323-L356 HydrophobicContact SD-CD2 4.21Å; M323-H364 WeakPolarHBondContact CE-CD2 3.33Å; M323-H364 VanDerWaalsContact CE-NE2 3.27Å; M323-H364 WeakPolarHBondContact CE-NE2 3.3Å
324	S	96.2	Very high	95.6	Very high	60 Å²	60	54 Å²	54	42%	0.42	27%	0.27	S	S	.	.	I	π-helix	trans	-90.5	-32.7	-174.2	54.7	0	0	0	0	114.4	Q320 I321 I322	Q320-S324 WeakPolarHBondContact O-CB 3.48Å; Q320-S324 PolarHBondContact O-N 3.15Å; Q320-S324 PolarHBondContact O-OG 2.92Å; I321-S324 PolarHBondContact O-N 3.5Å; I322-S324 PolarHBondContact O-N 3.25Å
325	H	95.8	Very high	95.8	Very high	73 Å²	73	57 Å²	57	34%	0.338	29%	0.292	S	S	.	.	I	π-helix	trans	-111.7	-43.3	-171.8	-62.2	79.8	0	0	0	112.7	V284 Q288 I321 C329	V284-H325 HydrophobicContact CG1-CB 3.83Å; Q288-H325 HydrophobicContact CG-CB 4.4Å; Q288-H325 PolarHBondContact NE2-O 3.41Å; Q288-H325 PolarHBondContact OE1-CD2 3.02Å; I321-H325 WeakPolarHBondContact O-CB 3.37Å; I321-H325 PolarHBondContact O-N 2.86Å; H325-C329 PolarHBondContact O-SG 2.98Å
326	I	97.7	Very high	96.1	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.262	C	S	.	.	I	π-helix	trans	-90.3	-47.1	-170.5	-52.2	-51	0	0	0	112	F287 Q288 V306 F309 I321 I322 C329 V330	F287-I326 HydrophobicContact CD1-CD1 4Å; Q288-I326 HydrophobicContact CG-CD1 4.33Å; V306-I326 HydrophobicContact CG1-CG2 4.36Å; F309-I326 HydrophobicContact CE1-CD1 4.04Å; F309-I326 HydrophobicContact CE1-CG1 4.45Å; I321-I326 PolarHBondContact O-N 3.43Å; I322-I326 PolarHBondContact O-N 2.66Å; I322-I326 VanDerWaalsContact O-N 3.16Å; I326-C329 WeakPolarHBondContact O-CA 3.23Å; I326-C329 WeakPolarHBondContact O-CB 3.3Å; I326-C329 PolarHBondContact O-N 3.21Å; I326-V330 HydrophobicContact CG2-CG2 4.08Å; I326-V330 PolarHBondContact O-N 3.14Å
327	L	96.6	Very high	96.3	Very high	5 Å²	5	49.6 Å²	49.6	3%	0.026	26%	0.262	C	S	.	.	H	α-helix	trans	-57.6	-39.6	-177.1	-178.9	65.3	0	0	0	113.3	I322 M323 C329 V330 K331 H364 L365 L368	I322-L327 VanDerWaalsContact O-CB 3.31Å; I322-L327 WeakPolarHBondContact O-CB 3.2Å; I322-L327 PolarHBondContact O-N 3.27Å; M323-L327 HydrophobicContact CE-CD2 3.98Å; M323-L327 HydrophobicContact SD-CD2 3.68Å; L327-C329 VanDerWaalsContact C-N 3.3Å; L327-C329 PolarHBondContact O-N 3.25Å; L327-V330 PolarHBondContact O-N 3.01Å; L327-K331 WeakPolarHBondContact O-CG 3.4Å; L327-K331 PolarHBondContact O-N 2.72Å; L327-H364 HydrophobicContact CD2-CB 3.89Å; L327-L365 HydrophobicContact CD1-CD2 3.85Å; L327-L368 HydrophobicContact CD1-CD1 4.19Å
328	P	97.6	Very high	96.6	Very high	53 Å²	53	50 Å²	50	34%	0.344	26%	0.264	S	S	.	.	H	α-helix	trans	-58.3	-40.8	172.3	-25.7	36.2	0	0	0	113.1	K331 E332	P328-K331 PolarHBondContact O-N 2.95Å; P328-E332 PolarHBondContact O-N 3.3Å
329	C	97.9	Very high	96.7	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.014	28%	0.275	C	S	.	.	H	α-helix	trans	-67.6	-42.2	177.2	-52.2	0	0	0	0	111.1	L291 K292 H325 I326 L327 K331 E332 L333	L291-C329 HydrophobicContact CB-CB 4.12Å; L291-C329 HydrophobicContact CD1-CB 3.85Å; K292-C329 WeakPolarHBondContact CE-SG 3.44Å; H325-C329 PolarHBondContact O-SG 2.98Å; I326-C329 WeakPolarHBondContact O-CA 3.23Å; I326-C329 WeakPolarHBondContact O-CB 3.3Å; I326-C329 PolarHBondContact O-N 3.21Å; L327-C329 VanDerWaalsContact C-N 3.3Å; L327-C329 PolarHBondContact O-N 3.25Å; C329-K331 VanDerWaalsContact C-N 3.3Å; C329-K331 PolarHBondContact O-N 3.25Å; C329-E332 WeakPolarHBondContact O-CB 3.35Å; C329-E332 PolarHBondContact O-N 3.34Å; C329-L333 WeakPolarHBondContact O-CG 3.49Å; C329-L333 PolarHBondContact O-N 3.43Å
330	V	97.6	Very high	96.7	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-58.8	-41.3	175.2	171.8	0	0	0	0	111.3	V306 I326 L327 E332 L333 V334 L345 I349 L368	V306-V330 HydrophobicContact CG1-CG2 3.99Å; I326-V330 HydrophobicContact CG2-CG2 4.08Å; I326-V330 PolarHBondContact O-N 3.14Å; L327-V330 PolarHBondContact O-N 3.01Å; V330-E332 VanDerWaalsContact C-N 3.34Å; V330-E332 PolarHBondContact O-N 3.42Å; V330-L333 PolarHBondContact O-N 3.27Å; V330-V334 WeakPolarHBondContact O-CG2 3.34Å; V330-V334 PolarHBondContact O-N 3.12Å; V330-L345 HydrophobicContact CG1-CD1 4.25Å; V330-L345 HydrophobicContact CG1-CD2 4.15Å; V330-I349 HydrophobicContact CG1-CD1 3.72Å; V330-I349 HydrophobicContact CG1-CG1 4.06Å; V330-L368 HydrophobicContact CG1-CD1 4.16Å
331	K	96.9	Very high	96.8	Very high	94 Å²	94	45.9 Å²	45.9	41%	0.409	25%	0.247	S	C	.	.	H	α-helix	trans	-60.6	-41.2	176.1	-72.3	176.2	177.1	176.4	0	112.5	L327 P328 C329 L368	L327-K331 WeakPolarHBondContact O-CG 3.4Å; L327-K331 PolarHBondContact O-N 2.72Å; P328-K331 PolarHBondContact O-N 2.95Å; C329-K331 VanDerWaalsContact C-N 3.3Å; C329-K331 PolarHBondContact O-N 3.25Å; K331-L368 HydrophobicContact CG-CD1 3.91Å; K331-L368 HydrophobicContact CG-CD2 3.92Å
332	E	96.8	Very high	96.9	Very high	105 Å²	105	46.9 Å²	46.9	49%	0.491	25%	0.252	S	S	.	.	H	α-helix	trans	-64.5	-45.8	175.2	-68.4	170.4	-151.2	0	0	110.9	K292 P328 C329 V330 V334 S335 D336	K292-E332 WeakPolarHBondContact CE-OE2 3.48Å; K292-E332 VanDerWaalsContact NZ-CD 3.34Å; K292-E332 IonicContact NZ-OE1 2.98Å; K292-E332 PolarHBondContact NZ-OE1 3.32Å; K292-E332 IonicContact NZ-OE2 3.53Å; K292-E332 PolarHBondContact NZ-OE2 3.36Å; K292-E332 VanDerWaalsContact NZ-OE2 3.1Å; P328-E332 PolarHBondContact O-N 3.3Å; C329-E332 WeakPolarHBondContact O-CB 3.35Å; C329-E332 PolarHBondContact O-N 3.34Å; V330-E332 VanDerWaalsContact C-N 3.34Å; V330-E332 PolarHBondContact O-N 3.42Å; E332-V334 VanDerWaalsContact C-N 3.33Å; E332-V334 PolarHBondContact O-N 3.05Å; E332-S335 CarbonylContact O-C 3.5Å; E332-S335 PolarHBondContact O-N 2.83Å; E332-D336 PolarHBondContact O-N 3.23Å
333	L	97.3	Very high	96.9	Very high	4 Å²	4	47.1 Å²	47.1	2%	0.021	25%	0.253	C	S	.	.	H	α-helix	trans	-65.8	-29.2	-177.9	-72	171.8	0	0	0	114.5	L291 R299 A303 C329 V330 S335 D336 V341 L345	L291-L333 HydrophobicContact CB-CD1 4.14Å; L291-L333 HydrophobicContact CD2-CD1 3.58Å; L291-L333 HydrophobicContact CG-CD1 4.35Å; L291-L333 WeakPolarHBondContact O-CD2 3.31Å; R299-L333 HydrophobicContact CB-CD2 4.35Å; A303-L333 HydrophobicContact CB-CD1 4.38Å; C329-L333 WeakPolarHBondContact O-CG 3.49Å; C329-L333 PolarHBondContact O-N 3.43Å; V330-L333 PolarHBondContact O-N 3.27Å; L333-S335 PolarHBondContact O-N 3.4Å; L333-D336 VanDerWaalsContact O-CB 3.31Å; L333-D336 WeakPolarHBondContact O-CB 3.37Å; L333-D336 PolarHBondContact O-N 3.49Å; L333-D336 VanDerWaalsContact O-N 3.12Å; L333-V341 HydrophobicContact CD2-CG1 3.46Å; L333-V341 VanDerWaalsContact CD2-CG1 3.46Å; L333-L345 HydrophobicContact CB-CD2 3.63Å
334	V	97.1	Very high	96.9	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.024	25%	0.245	C	C	.	.	H	α-helix	trans	-58.9	-30.3	172.7	166.3	0	0	0	0	111.4	V330 E332 L345 I349 L368 T371 Q372	V330-V334 WeakPolarHBondContact O-CG2 3.34Å; V330-V334 PolarHBondContact O-N 3.12Å; E332-V334 VanDerWaalsContact C-N 3.33Å; E332-V334 PolarHBondContact O-N 3.05Å; V334-L345 HydrophobicContact CG2-CD2 3.78Å; V334-I349 HydrophobicContact CG2-CD1 4.07Å; V334-L368 HydrophobicContact CG2-CB 4.08Å; V334-L368 HydrophobicContact CG2-CD2 4.35Å; V334-T371 HydrophobicContact CG1-CG2 3.65Å; V334-Q372 HydrophobicContact CG1-CG 3.84Å; V334-Q372 HydrophobicContact CG2-CG 4.3Å
335	S	95	Very high	97	Very high	92 Å²	92	42.4 Å²	42.4	64%	0.643	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.1	19.6	179.5	-53	0	0	0	0	112.6	E332 L333	E332-S335 CarbonylContact O-C 3.5Å; E332-S335 PolarHBondContact O-N 2.83Å; L333-S335 PolarHBondContact O-N 3.4Å
336	D	97.5	Very high	97	Very high	20 Å²	20	39 Å²	39	11%	0.107	21%	0.209	C	C	.	.			trans	-60.9	143.3	179.5	-160.6	-68.7	0	0	0	111	R299 E332 L333 N338 V341 K342	R299-D336 IonicContact CZ-OD1 3.04Å; R299-D336 IonicContact CZ-OD2 3.77Å; R299-D336 IonicContact NE-OD2 3.91Å; R299-D336 PolarHBondContact NE-OD2 3.44Å; R299-D336 IonicContact NH2-OD1 2.83Å; R299-D336 PolarHBondContact NH2-OD1 3.02Å; R299-D336 IonicContact NH2-OD2 2.79Å; R299-D336 PolarHBondContact NH2-OD2 3.5Å; R299-D336 VanDerWaalsContact NH2-OD2 3.08Å; E332-D336 PolarHBondContact O-N 3.23Å; L333-D336 VanDerWaalsContact O-CB 3.31Å; L333-D336 WeakPolarHBondContact O-CB 3.37Å; L333-D336 PolarHBondContact O-N 3.49Å; L333-D336 VanDerWaalsContact O-N 3.12Å; D336-N338 PolarHBondContact O-N 3.13Å; D336-N338 WeakPolarHBondContact OD1-CB 3.49Å; D336-N338 PolarHBondContact OD1-N 2.99Å; D336-V341 HydrophobicContact CB-CB 4.12Å; D336-V341 HydrophobicContact CB-CG1 3.9Å; D336-K342 HydrophobicContact CB-CG 4.06Å; D336-K342 VanDerWaalsContact O-CD 3.24Å; D336-K342 WeakPolarHBondContact O-CD 3.48Å; D336-K342 WeakPolarHBondContact O-CE 3.47Å
337	T	95.9	Very high	96.9	Very high	141 Å²	141	40.8 Å²	40.8	87%	0.865	22%	0.222	S	C	*	.	S	Bend	trans	-70.6	-24.7	179.2	55.9	0	0	0	0	112
338	N	97.3	Very high	96.9	Very high	49 Å²	49	41.8 Å²	41.8	26%	0.262	23%	0.228	S	C	.	.			trans	-90.9	122.1	179.9	-167.1	-57.7	0	0	0	111.5	A296 D336 H340 V341 K342	A296-N338 HydrophobicContact CB-CB 3.88Å; A296-N338 WeakPolarHBondContact CB-ND2 3.32Å; D336-N338 PolarHBondContact O-N 3.13Å; D336-N338 WeakPolarHBondContact OD1-CB 3.49Å; D336-N338 PolarHBondContact OD1-N 2.99Å; N338-H340 VanDerWaalsContact C-N 3.27Å; N338-H340 PolarHBondContact O-N 3.2Å; N338-H340 WeakPolarHBondContact OD1-CB 3.34Å; N338-H340 PolarHBondContact OD1-CD2 3.27Å; N338-H340 PolarHBondContact OD1-N 3.49Å; N338-V341 HydrophobicContact CB-CB 4.42Å; N338-V341 HydrophobicContact CB-CG2 3.94Å; N338-V341 PolarHBondContact O-N 2.65Å; N338-K342 PolarHBondContact O-N 3.16Å
339	Q	96	Very high	96.8	Very high	99 Å²	99	39.2 Å²	39.2	46%	0.463	21%	0.212	S	C	.	.	H	α-helix	trans	-60.6	-31.9	-180	67.2	-177.5	-1.9	0	0	113.9	K342 S343 C377	Q339-K342 PolarHBondContact O-N 2.62Å; Q339-S343 VanDerWaalsContact O-CB 3.3Å; Q339-S343 WeakPolarHBondContact O-CB 3.47Å; Q339-S343 PolarHBondContact O-N 3.49Å; Q339-C377 HydrophobicContact CB-CB 4.42Å
340	H	96	Very high	96.5	Very high	105 Å²	105	39.2 Å²	39.2	49%	0.486	21%	0.211	S	C	.	.	H	α-helix	trans	-71.1	-35.2	-179	-61.7	-63.7	0	0	0	111.3	N338 S343 A344	N338-H340 VanDerWaalsContact C-N 3.27Å; N338-H340 PolarHBondContact O-N 3.2Å; N338-H340 WeakPolarHBondContact OD1-CB 3.34Å; N338-H340 PolarHBondContact OD1-CD2 3.27Å; N338-H340 PolarHBondContact OD1-N 3.49Å; H340-S343 PolarHBondContact O-N 3.37Å; H340-A344 VanDerWaalsContact O-CB 3.23Å; H340-A344 WeakPolarHBondContact O-CB 3.48Å; H340-A344 PolarHBondContact O-N 3.04Å
341	V	98.1	Very high	96.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-65.3	-47.4	174.1	179.5	0	0	0	0	110.4	A296 R299 A300 L333 D336 N338 S343 A344 L345	A296-V341 HydrophobicContact CB-CG2 4.05Å; A296-V341 WeakPolarHBondContact O-CG2 3.46Å; R299-V341 HydrophobicContact CB-CG1 4.08Å; R299-V341 HydrophobicContact CB-CG2 3.95Å; A300-V341 HydrophobicContact CB-CG2 4.08Å; L333-V341 HydrophobicContact CD2-CG1 3.46Å; L333-V341 VanDerWaalsContact CD2-CG1 3.46Å; D336-V341 HydrophobicContact CB-CB 4.12Å; D336-V341 HydrophobicContact CB-CG1 3.9Å; N338-V341 HydrophobicContact CB-CB 4.42Å; N338-V341 HydrophobicContact CB-CG2 3.94Å; N338-V341 PolarHBondContact O-N 2.65Å; V341-S343 VanDerWaalsContact C-N 3.34Å; V341-S343 PolarHBondContact O-N 3.13Å; V341-A344 PolarHBondContact O-N 3.49Å; V341-L345 PolarHBondContact O-N 2.88Å
342	K	97.7	Very high	96.1	Very high	32 Å²	32	35 Å²	35	14%	0.139	19%	0.194	C	C	.	.	H	α-helix	trans	-61.3	-42.4	176.2	-66.6	-169	-68.6	172.8	0	112.2	D336 N338 Q339 L345 A346 D375 V380	D336-K342 HydrophobicContact CB-CG 4.06Å; D336-K342 VanDerWaalsContact O-CD 3.24Å; D336-K342 WeakPolarHBondContact O-CD 3.48Å; D336-K342 WeakPolarHBondContact O-CE 3.47Å; N338-K342 PolarHBondContact O-N 3.16Å; Q339-K342 PolarHBondContact O-N 2.62Å; K342-L345 PolarHBondContact O-N 3.2Å; K342-A346 VanDerWaalsContact O-CB 3.25Å; K342-A346 WeakPolarHBondContact O-CB 3.46Å; K342-A346 PolarHBondContact O-N 2.64Å; K342-D375 WeakPolarHBondContact CD-OD2 3.43Å; K342-D375 WeakPolarHBondContact CE-OD2 3.5Å; K342-D375 VanDerWaalsContact NZ-CG 3.27Å; K342-D375 IonicContact NZ-OD1 2.75Å; K342-D375 PolarHBondContact NZ-OD1 3.26Å; K342-D375 IonicContact NZ-OD2 2.7Å; K342-D375 PolarHBondContact NZ-OD2 3.36Å; K342-V380 HydrophobicContact CB-CG2 3.68Å
343	S	96.5	Very high	95.9	Very high	5 Å²	5	30 Å²	30	4%	0.035	17%	0.171	C	C	.	.	H	α-helix	trans	-63.9	-46	178.8	-176.4	0	0	0	0	111.4	Q339 H340 V341 A346 S347 E379 N383	Q339-S343 VanDerWaalsContact O-CB 3.3Å; Q339-S343 WeakPolarHBondContact O-CB 3.47Å; Q339-S343 PolarHBondContact O-N 3.49Å; H340-S343 PolarHBondContact O-N 3.37Å; V341-S343 VanDerWaalsContact C-N 3.34Å; V341-S343 PolarHBondContact O-N 3.13Å; S343-A346 PolarHBondContact O-N 3.28Å; S343-S347 PolarHBondContact O-N 2.78Å; S343-S347 VanDerWaalsContact O-N 3.12Å; S343-E379 WeakPolarHBondContact OG-CG 3.15Å; S343-E379 PolarHBondContact OG-OE1 3.1Å; S343-N383 PolarHBondContact O-ND2 3.35Å; S343-N383 PolarHBondContact OG-ND2 3.48Å
344	A	97.3	Very high	95.7	Very high	8 Å²	8	33.2 Å²	33.2	7%	0.066	19%	0.191	C	C	.	.	H	α-helix	trans	-56	-53	175.2	0	0	0	0	0	111.3	A300 A303 N304 H340 V341 A346 S347	A300-A344 HydrophobicContact CB-CB 4.23Å; A300-A344 WeakPolarHBondContact O-CB 3.45Å; A303-A344 HydrophobicContact CB-CB 4.16Å; N304-A344 WeakPolarHBondContact OD1-CA 3.37Å; N304-A344 VanDerWaalsContact OD1-CB 3.24Å; N304-A344 WeakPolarHBondContact OD1-CB 3.37Å; N304-A344 PolarHBondContact OD1-O 3.13Å; N304-A344 VanDerWaalsContact OD1-O 3.07Å; H340-A344 VanDerWaalsContact O-CB 3.23Å; H340-A344 WeakPolarHBondContact O-CB 3.48Å; H340-A344 PolarHBondContact O-N 3.04Å; V341-A344 PolarHBondContact O-N 3.49Å; A344-A346 PolarHBondContact O-N 3.02Å; A344-S347 PolarHBondContact O-N 2.92Å; A344-S347 PolarHBondContact O-OG 3.1Å
345	L	97.9	Very high	95.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-60.1	-45.5	177.5	-179.7	60.5	0	0	0	112.1	A303 V306 V330 L333 V334 V341 K342 S347 V348 I349	A303-L345 HydrophobicContact CB-CB 4.12Å; V306-L345 HydrophobicContact CG2-CD1 4.49Å; V330-L345 HydrophobicContact CG1-CD1 4.25Å; V330-L345 HydrophobicContact CG1-CD2 4.15Å; L333-L345 HydrophobicContact CB-CD2 3.63Å; V334-L345 HydrophobicContact CG2-CD2 3.78Å; V341-L345 PolarHBondContact O-N 2.88Å; K342-L345 PolarHBondContact O-N 3.2Å; L345-S347 PolarHBondContact O-N 3.18Å; L345-V348 PolarHBondContact O-N 3.26Å; L345-I349 HydrophobicContact CD1-CB 4.03Å; L345-I349 HydrophobicContact CD1-CD1 4.43Å; L345-I349 HydrophobicContact CD1-CG1 4.21Å; L345-I349 HydrophobicContact CD2-CD1 4.28Å; L345-I349 HydrophobicContact CG-CB 4.16Å; L345-I349 HydrophobicContact CG-CD1 4.22Å; L345-I349 HydrophobicContact CG-CG1 4.43Å; L345-I349 VanDerWaalsContact O-CB 3.32Å; L345-I349 WeakPolarHBondContact O-CB 3.42Å; L345-I349 PolarHBondContact O-N 3.11Å
346	A	96.4	Very high	95.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-58.8	-29.3	-179.1	0	0	0	0	0	113.1	K342 S343 A344 V348 V380 N383 I384	K342-A346 VanDerWaalsContact O-CB 3.25Å; K342-A346 WeakPolarHBondContact O-CB 3.46Å; K342-A346 PolarHBondContact O-N 2.64Å; S343-A346 PolarHBondContact O-N 3.28Å; A344-A346 PolarHBondContact O-N 3.02Å; A346-V348 PolarHBondContact O-N 2.86Å; A346-V380 HydrophobicContact CB-CG1 3.97Å; A346-N383 HydrophobicContact CB-CB 3.86Å; A346-I384 HydrophobicContact CB-CD1 3.77Å; A346-I384 HydrophobicContact CB-CG1 3.95Å; A346-I384 WeakPolarHBondContact O-CD1 3.09Å
347	S	95.4	Very high	95.1	Very high	39 Å²	39	31.1 Å²	31.1	27%	0.273	18%	0.179	S	C	.	.	H	α-helix	trans	-70.1	-18.8	178.5	77.4	0	0	0	0	114	N304 S343 A344 L345 N387	N304-S347 PolarHBondContact OD1-OG 3.36Å; S343-S347 PolarHBondContact O-N 2.78Å; S343-S347 VanDerWaalsContact O-N 3.12Å; A344-S347 PolarHBondContact O-N 2.92Å; A344-S347 PolarHBondContact O-OG 3.1Å; L345-S347 PolarHBondContact O-N 3.18Å; S347-N387 PolarHBondContact O-ND2 3.4Å; S347-N387 VanDerWaalsContact O-ND2 3.15Å
348	V	95.9	Very high	94.9	Very high	25 Å²	25	29.4 Å²	29.4	15%	0.152	16%	0.159	C	C	.	.	H	α-helix	trans	-128	-22.3	-173.3	-60.5	0	0	0	0	115	A303 V306 K307 L345 A346 M350 G351	A303-V348 VanDerWaalsContact O-CG2 3.26Å; A303-V348 WeakPolarHBondContact O-CG2 3.36Å; V306-V348 HydrophobicContact CB-CG2 4.49Å; K307-V348 HydrophobicContact CB-CB 3.92Å; L345-V348 PolarHBondContact O-N 3.26Å; A346-V348 PolarHBondContact O-N 2.86Å; V348-M350 PolarHBondContact O-N 3.36Å; V348-M350 VanDerWaalsContact O-N 3.11Å; V348-G351 PolarHBondContact O-N 3.28Å
349	I	95.6	Very high	94.6	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-56.7	-33.4	-171.2	-164.9	-177.7	0	0	0	113.4	V330 V334 L345 G351 L352 L368 F369 I384	V330-I349 HydrophobicContact CG1-CD1 3.72Å; V330-I349 HydrophobicContact CG1-CG1 4.06Å; V334-I349 HydrophobicContact CG2-CD1 4.07Å; L345-I349 HydrophobicContact CD1-CB 4.03Å; L345-I349 HydrophobicContact CD1-CD1 4.43Å; L345-I349 HydrophobicContact CD1-CG1 4.21Å; L345-I349 HydrophobicContact CD2-CD1 4.28Å; L345-I349 HydrophobicContact CG-CB 4.16Å; L345-I349 HydrophobicContact CG-CD1 4.22Å; L345-I349 HydrophobicContact CG-CG1 4.43Å; L345-I349 VanDerWaalsContact O-CB 3.32Å; L345-I349 WeakPolarHBondContact O-CB 3.42Å; L345-I349 PolarHBondContact O-N 3.11Å; I349-G351 PolarHBondContact O-N 2.87Å; I349-L352 HydrophobicContact CG1-CD1 4.38Å; I349-L352 WeakPolarHBondContact O-CB 3.46Å; I349-L352 WeakPolarHBondContact O-CG 3.32Å; I349-L352 PolarHBondContact O-N 2.69Å; I349-L352 VanDerWaalsContact O-N 3.1Å; I349-L368 HydrophobicContact CD1-CB 4.24Å; I349-F369 HydrophobicContact CB-CE1 4.38Å; I349-F369 HydrophobicContact CD1-CD1 4.38Å; I349-F369 HydrophobicContact CD1-CE1 4.21Å; I349-F369 HydrophobicContact CG1-CE1 3.97Å; I349-F369 HydrophobicContact CG2-CD1 4.12Å; I349-F369 HydrophobicContact CG2-CE1 3.91Å; I349-I384 HydrophobicContact CG2-CD1 3.66Å
350	M	91.5	Very high	94.5	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-66.7	-26.3	180	-64.4	-167.5	85.2	0	0	112.7	V348 L352 S353 F369 I384 N387 L388 V391	V348-M350 PolarHBondContact O-N 3.36Å; V348-M350 VanDerWaalsContact O-N 3.11Å; M350-L352 PolarHBondContact O-N 2.94Å; M350-S353 WeakPolarHBondContact O-CB 3.42Å; M350-S353 PolarHBondContact O-N 3.19Å; M350-S353 VanDerWaalsContact O-N 3.12Å; M350-S353 PolarHBondContact O-OG 2.55Å; M350-F369 HydrophobicContact CB-CZ 4.45Å; M350-F369 HydrophobicContact CE-CD2 4.49Å; M350-F369 HydrophobicContact CG-CD1 4.2Å; M350-F369 HydrophobicContact CG-CE1 3.95Å; M350-F369 HydrophobicContact CG-CZ 4.2Å; M350-I384 HydrophobicContact CE-CG2 4.34Å; M350-I384 HydrophobicContact CG-CD1 4.3Å; M350-I384 HydrophobicContact SD-CB 4.45Å; M350-I384 HydrophobicContact SD-CG2 3.7Å; M350-N387 HydrophobicContact CB-CB 4.12Å; M350-N387 HydrophobicContact CG-CB 4.33Å; M350-N387 HydrophobicContact SD-CB 3.76Å; M350-N387 VanDerWaalsContact SD-O 3.38Å; M350-L388 HydrophobicContact CE-CD2 3.74Å; M350-L388 HydrophobicContact CE-CG 4.24Å; M350-V391 HydrophobicContact CB-CG2 3.96Å; M350-V391 HydrophobicContact CE-CB 3.82Å; M350-V391 HydrophobicContact CE-CG2 3.3Å; M350-V391 HydrophobicContact CG-CG2 4.27Å
351	G	92.6	Very high	94.3	Very high	3 Å²	3	24.6 Å²	24.6	3%	0.031	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-64.9	-17.7	173.8	0	0	0	0	0	113.6	V348 I349 S353 T354	V348-G351 PolarHBondContact O-N 3.28Å; I349-G351 PolarHBondContact O-N 2.87Å; G351-S353 PolarHBondContact O-N 3.44Å; G351-T354 PolarHBondContact O-OG1 3.19Å
352	L	94.6	Very high	93.9	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.01	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-67	-19.8	173.9	-62.2	-179.4	0	0	0	112.8	V306 C310 I349 M350 I355 L356 L365	V306-L352 HydrophobicContact CG1-CD1 4Å; V306-L352 HydrophobicContact CG1-CD2 4.15Å; V306-L352 HydrophobicContact CG1-CG 4.44Å; C310-L352 HydrophobicContact CB-CD2 3.8Å; I349-L352 HydrophobicContact CG1-CD1 4.38Å; I349-L352 WeakPolarHBondContact O-CB 3.46Å; I349-L352 WeakPolarHBondContact O-CG 3.32Å; I349-L352 PolarHBondContact O-N 2.69Å; I349-L352 VanDerWaalsContact O-N 3.1Å; M350-L352 PolarHBondContact O-N 2.94Å; L352-I355 HydrophobicContact CD2-CD1 3.91Å; L352-I355 PolarHBondContact O-N 2.75Å; L352-L356 PolarHBondContact O-N 3.33Å; L352-L365 HydrophobicContact CB-CD1 3.76Å; L352-L365 HydrophobicContact CD1-CD2 4.43Å
353	S	92.9	Very high	93.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-65.2	-39.4	-179.6	61.1	0	0	0	0	112.9	M350 G351 I355 G357 T361 C390 V391	M350-S353 WeakPolarHBondContact O-CB 3.42Å; M350-S353 PolarHBondContact O-N 3.19Å; M350-S353 VanDerWaalsContact O-N 3.12Å; M350-S353 PolarHBondContact O-OG 2.55Å; G351-S353 PolarHBondContact O-N 3.44Å; S353-I355 PolarHBondContact O-N 2.68Å; S353-G357 PolarHBondContact O-N 3.3Å; S353-G357 VanDerWaalsContact O-N 3.13Å; S353-T361 VanDerWaalsContact CA-OG1 3.31Å; S353-T361 WeakPolarHBondContact CA-OG1 3.43Å; S353-T361 WeakPolarHBondContact CB-OG1 3.35Å; S353-T361 PolarHBondContact O-OG1 2.77Å; S353-C390 PolarHBondContact OG-O 2.91Å; S353-V391 WeakPolarHBondContact OG-CG2 3.4Å
354	T	91.5	Very high	93.6	Very high	73 Å²	73	33.8 Å²	33.8	45%	0.448	18%	0.184	S	C	.	.	H	α-helix	trans	-69.1	-18	177.7	58.6	0	0	0	0	112.1	G351 V394	G351-T354 PolarHBondContact O-OG1 3.19Å; T354-V394 HydrophobicContact CG2-CG2 3.91Å
355	I	93.6	Very high	93.5	Very high	34 Å²	34	33.4 Å²	33.4	17%	0.174	18%	0.181	C	C	.	.	H	α-helix	trans	-91.6	-47.2	-179.7	-49.5	171.8	0	0	0	111.5	C310 E311 R318 I322 L352 S353	C310-I355 HydrophobicContact CB-CD1 3.82Å; E311-I355 HydrophobicContact CB-CD1 4.4Å; E311-I355 HydrophobicContact CG-CD1 3.43Å; E311-I355 VanDerWaalsContact CG-CD1 3.43Å; E311-I355 HydrophobicContact CG-CG1 3.92Å; R318-I355 VanDerWaalsContact CD-CG2 3.48Å; R318-I355 HydrophobicContact CG-CG2 4.03Å; I322-I355 HydrophobicContact CD1-CG2 3.66Å; L352-I355 HydrophobicContact CD2-CD1 3.91Å; L352-I355 PolarHBondContact O-N 2.75Å; S353-I355 PolarHBondContact O-N 2.68Å
356	L	93.4	Very high	93.1	Very high	8 Å²	8	34 Å²	34	4%	0.042	18%	0.184	C	C	.	.	H	α-helix	trans	-84.8	-11.7	-174.4	-68.1	-178.1	0	0	0	113.7	E319 I322 M323 L352 N360 L365	E319-L356 HydrophobicContact CG-CD2 4.1Å; I322-L356 HydrophobicContact CB-CD2 4.06Å; I322-L356 HydrophobicContact CD1-CD2 4.15Å; I322-L356 HydrophobicContact CG2-CD1 4.05Å; I322-L356 HydrophobicContact CG2-CD2 3.79Å; I322-L356 HydrophobicContact CG2-CG 4.25Å; M323-L356 HydrophobicContact CG-CD2 4.31Å; M323-L356 HydrophobicContact SD-CD1 4.06Å; M323-L356 HydrophobicContact SD-CD2 4.21Å; L352-L356 PolarHBondContact O-N 3.33Å; L356-N360 HydrophobicContact CB-CB 3.85Å; L356-N360 PolarHBondContact O-ND2 3.12Å; L356-L365 HydrophobicContact CD1-CD1 4.11Å; L356-L365 HydrophobicContact CD1-CD2 4.38Å; L356-L365 HydrophobicContact CD1-CG 4.31Å
357	G	91.3	Very high	93	Very high	29 Å²	29	37 Å²	37	30%	0.299	20%	0.204	S	C	.	.	H	α-helix	trans	72.5	-176.3	-178.4	0	0	0	0	0	113.3	S353 T361	S353-G357 PolarHBondContact O-N 3.3Å; S353-G357 VanDerWaalsContact O-N 3.13Å; G357-T361 WeakPolarHBondContact O-CB 3.47Å; G357-T361 PolarHBondContact O-N 2.88Å; G357-T361 VanDerWaalsContact O-N 3.16Å; G357-T361 PolarHBondContact O-OG1 2.96Å
358	K	90.6	Very high	93	Very high	105 Å²	105	36 Å²	36	46%	0.457	20%	0.195	S	C	.	.	H	α-helix	trans	-65.6	-49.6	-165.9	-177.7	171.3	-179.6	174.9	0	114.2	T361 I362 V394	K358-T361 PolarHBondContact O-N 2.93Å; K358-I362 HydrophobicContact CG-CD1 3.78Å; K358-I362 VanDerWaalsContact O-CG1 3.3Å; K358-I362 WeakPolarHBondContact O-CG1 3.43Å; K358-I362 PolarHBondContact O-N 3.38Å; K358-V394 HydrophobicContact CB-CG1 4.33Å
359	D	91.1	Very high	92.8	Very high	126 Å²	126	34.8 Å²	34.8	67%	0.674	19%	0.188	S	C	*	.	H	α-helix	trans	-67.7	-50.4	-170.5	-62	-31.3	0	0	0	111.3	T361 I362 E363	D359-T361 VanDerWaalsContact C-N 3.3Å; D359-T361 PolarHBondContact O-N 3.26Å; D359-I362 PolarHBondContact O-N 3.33Å; D359-E363 PolarHBondContact O-N 3.13Å
360	N	93.6	Very high	92.6	Very high	27 Å²	27	37 Å²	37	14%	0.144	20%	0.2	C	C	.	.	H	α-helix	trans	-62	-36.1	175.7	-71.2	-42.2	0	0	0	112.6	E319 L356 H364	E319-N360 PolarHBondContact OE1-ND2 3.06Å; L356-N360 HydrophobicContact CB-CB 3.85Å; L356-N360 PolarHBondContact O-ND2 3.12Å; N360-H364 WeakPolarHBondContact O-CB 3.07Å; N360-H364 PolarHBondContact O-N 3.35Å
361	T	92.7	Very high	92.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.22	C	C	.	.	I	π-helix	trans	-62.3	-45.9	175.8	-64.7	0	0	0	0	110.9	S353 G357 K358 D359 L365 L366 F369 V391 I395	S353-T361 VanDerWaalsContact CA-OG1 3.31Å; S353-T361 WeakPolarHBondContact CA-OG1 3.43Å; S353-T361 WeakPolarHBondContact CB-OG1 3.35Å; S353-T361 PolarHBondContact O-OG1 2.77Å; G357-T361 WeakPolarHBondContact O-CB 3.47Å; G357-T361 PolarHBondContact O-N 2.88Å; G357-T361 VanDerWaalsContact O-N 3.16Å; G357-T361 PolarHBondContact O-OG1 2.96Å; K358-T361 PolarHBondContact O-N 2.93Å; D359-T361 VanDerWaalsContact C-N 3.3Å; D359-T361 PolarHBondContact O-N 3.26Å; T361-L365 HydrophobicContact CG2-CB 4.33Å; T361-L365 HydrophobicContact CG2-CD1 4.4Å; T361-L365 WeakPolarHBondContact O-CB 3.24Å; T361-L365 PolarHBondContact O-N 2.96Å; T361-L365 VanDerWaalsContact O-N 3.11Å; T361-L366 PolarHBondContact O-N 3.07Å; T361-F369 HydrophobicContact CG2-CE2 4.34Å; T361-V391 HydrophobicContact CG2-CG1 4.38Å; T361-I395 HydrophobicContact CG2-CG2 3.67Å
362	I	90.5	Very high	92.7	Very high	57 Å²	57	40.1 Å²	40.1	29%	0.292	22%	0.218	S	C	.	.	I	π-helix	trans	-66.9	-45.3	179.8	-67.7	168.4	0	0	0	110.7	K358 D359 I395	K358-I362 HydrophobicContact CG-CD1 3.78Å; K358-I362 VanDerWaalsContact O-CG1 3.3Å; K358-I362 WeakPolarHBondContact O-CG1 3.43Å; K358-I362 PolarHBondContact O-N 3.38Å; D359-I362 PolarHBondContact O-N 3.33Å; I362-I395 HydrophobicContact CD1-CG2 4.34Å; I362-I395 HydrophobicContact CG1-CB 4.35Å; I362-I395 HydrophobicContact CG1-CG2 3.8Å
363	E	93	Very high	92.5	Very high	133 Å²	133	40.1 Å²	40.1	62%	0.621	22%	0.218	S	C	*	.	I	π-helix	trans	-72.8	-40	-174.7	-168.4	178.8	158.4	0	0	112.8	D359	D359-E363 PolarHBondContact O-N 3.13Å
364	H	94.4	Very high	92.3	Very high	39 Å²	39	46.6 Å²	46.6	18%	0.181	25%	0.246	C	C	.	.	I	π-helix	trans	-118.1	-35	-166.4	-57.4	-50.8	0	0	0	115.4	M323 L327 N360 L368	M323-H364 WeakPolarHBondContact CE-CD2 3.33Å; M323-H364 VanDerWaalsContact CE-NE2 3.27Å; M323-H364 WeakPolarHBondContact CE-NE2 3.3Å; L327-H364 HydrophobicContact CD2-CB 3.89Å; N360-H364 WeakPolarHBondContact O-CB 3.07Å; N360-H364 PolarHBondContact O-N 3.35Å; H364-L368 WeakPolarHBondContact O-CG 3.15Å
365	L	93.9	Very high	92.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.229	C	C	.	.	I	π-helix	trans	-90.1	-38	-176.5	-60.9	-176.1	0	0	0	112.6	L327 L352 L356 T361 L368 F369	L327-L365 HydrophobicContact CD1-CD2 3.85Å; L352-L365 HydrophobicContact CB-CD1 3.76Å; L352-L365 HydrophobicContact CD1-CD2 4.43Å; L356-L365 HydrophobicContact CD1-CD1 4.11Å; L356-L365 HydrophobicContact CD1-CD2 4.38Å; L356-L365 HydrophobicContact CD1-CG 4.31Å; T361-L365 HydrophobicContact CG2-CB 4.33Å; T361-L365 HydrophobicContact CG2-CD1 4.4Å; T361-L365 WeakPolarHBondContact O-CB 3.24Å; T361-L365 PolarHBondContact O-N 2.96Å; T361-L365 VanDerWaalsContact O-N 3.11Å; L365-L368 WeakPolarHBondContact O-CA 3.26Å; L365-L368 WeakPolarHBondContact O-CB 3.32Å; L365-L368 PolarHBondContact O-N 3.42Å; L365-F369 HydrophobicContact CB-CE1 4.12Å; L365-F369 HydrophobicContact CB-CE2 3.83Å; L365-F369 HydrophobicContact CB-CZ 3.59Å; L365-F369 HydrophobicContact CD1-CZ 4.1Å; L365-F369 HydrophobicContact CG-CZ 4.42Å; L365-F369 WeakPolarHBondContact O-CG 3.45Å; L365-F369 PolarHBondContact O-N 3.41Å
366	L	90.9	Very high	92.2	Very high	13 Å²	13	51.2 Å²	51.2	7%	0.068	26%	0.263	C	S	.	.	H	α-helix	trans	-57.2	-41.2	-178.9	-173.8	63.9	0	0	0	113.4	T361 L368 F369 L370 L404	T361-L366 PolarHBondContact O-N 3.07Å; L366-L368 VanDerWaalsContact C-N 3.26Å; L366-L368 PolarHBondContact O-N 2.91Å; L366-F369 HydrophobicContact CD1-CD2 4.46Å; L366-F369 PolarHBondContact O-N 3.29Å; L366-L370 WeakPolarHBondContact O-CG 3.34Å; L366-L370 PolarHBondContact O-N 3.23Å; L366-L404 HydrophobicContact CD1-CD2 3.8Å; L366-L404 HydrophobicContact CD1-CG 4.27Å
367	P	93.1	Very high	92	Very high	63 Å²	63	51.4 Å²	51.4	41%	0.409	26%	0.264	S	S	.	.	H	α-helix	trans	-58.8	-37.3	172	-24.8	35.7	0	0	0	113	L370 T371	P367-L370 PolarHBondContact O-N 2.91Å; P367-T371 PolarHBondContact O-N 3.33Å; P367-T371 VanDerWaalsContact O-N 3.09Å; P367-T371 PolarHBondContact O-OG1 3.09Å
368	L	95.3	Very high	91.8	Very high	18 Å²	18	51.9 Å²	51.9	9%	0.094	26%	0.263	C	S	.	.	H	α-helix	trans	-71.2	-41.8	-179.8	-54.7	-179.1	0	0	0	111.7	L327 V330 K331 V334 I349 H364 L365 L366 L370 T371 Q372	L327-L368 HydrophobicContact CD1-CD1 4.19Å; V330-L368 HydrophobicContact CG1-CD1 4.16Å; K331-L368 HydrophobicContact CG-CD1 3.91Å; K331-L368 HydrophobicContact CG-CD2 3.92Å; V334-L368 HydrophobicContact CG2-CB 4.08Å; V334-L368 HydrophobicContact CG2-CD2 4.35Å; I349-L368 HydrophobicContact CD1-CB 4.24Å; H364-L368 WeakPolarHBondContact O-CG 3.15Å; L365-L368 WeakPolarHBondContact O-CA 3.26Å; L365-L368 WeakPolarHBondContact O-CB 3.32Å; L365-L368 PolarHBondContact O-N 3.42Å; L366-L368 VanDerWaalsContact C-N 3.26Å; L366-L368 PolarHBondContact O-N 2.91Å; L368-L370 VanDerWaalsContact C-N 3.3Å; L368-L370 PolarHBondContact O-N 3.46Å; L368-T371 PolarHBondContact O-N 3.49Å; L368-Q372 PolarHBondContact O-N 3.03Å
369	F	92.4	Very high	91.8	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-60	-42.6	174.3	-57.1	-24.6	0	0	0	111.3	I349 M350 T361 L365 L366 T371 Q372 L373 V391	I349-F369 HydrophobicContact CB-CE1 4.38Å; I349-F369 HydrophobicContact CD1-CD1 4.38Å; I349-F369 HydrophobicContact CD1-CE1 4.21Å; I349-F369 HydrophobicContact CG1-CE1 3.97Å; I349-F369 HydrophobicContact CG2-CD1 4.12Å; I349-F369 HydrophobicContact CG2-CE1 3.91Å; M350-F369 HydrophobicContact CB-CZ 4.45Å; M350-F369 HydrophobicContact CE-CD2 4.49Å; M350-F369 HydrophobicContact CG-CD1 4.2Å; M350-F369 HydrophobicContact CG-CE1 3.95Å; M350-F369 HydrophobicContact CG-CZ 4.2Å; T361-F369 HydrophobicContact CG2-CE2 4.34Å; L365-F369 HydrophobicContact CB-CE1 4.12Å; L365-F369 HydrophobicContact CB-CE2 3.83Å; L365-F369 HydrophobicContact CB-CZ 3.59Å; L365-F369 HydrophobicContact CD1-CZ 4.1Å; L365-F369 HydrophobicContact CG-CZ 4.42Å; L365-F369 WeakPolarHBondContact O-CG 3.45Å; L365-F369 PolarHBondContact O-N 3.41Å; L366-F369 HydrophobicContact CD1-CD2 4.46Å; L366-F369 PolarHBondContact O-N 3.29Å; F369-T371 VanDerWaalsContact C-N 3.35Å; F369-T371 PolarHBondContact O-N 3.16Å; F369-Q372 PolarHBondContact O-N 2.71Å; F369-L373 WeakPolarHBondContact O-CB 3.38Å; F369-L373 WeakPolarHBondContact O-CG 3.46Å; F369-L373 PolarHBondContact O-N 3.5Å; F369-V391 HydrophobicContact CD2-CG2 4.2Å; F369-V391 HydrophobicContact CE2-CG1 4.24Å; F369-V391 HydrophobicContact CE2-CG2 3.46Å; F369-V391 VanDerWaalsContact CE2-CG2 3.46Å; F369-V391 HydrophobicContact CZ-CG2 3.92Å
370	L	90.5	Very high	91.9	Very high	46 Å²	46	45.3 Å²	45.3	24%	0.241	23%	0.229	C	C	.	.	H	α-helix	trans	-63.7	-38.6	177	-76.6	172.7	0	0	0	112.8	L366 P367 L368 K374 S403 L404	L366-L370 WeakPolarHBondContact O-CG 3.34Å; L366-L370 PolarHBondContact O-N 3.23Å; P367-L370 PolarHBondContact O-N 2.91Å; L368-L370 VanDerWaalsContact C-N 3.3Å; L368-L370 PolarHBondContact O-N 3.46Å; L370-K374 WeakPolarHBondContact O-CG 3.31Å; L370-K374 PolarHBondContact O-N 3Å; L370-S403 WeakPolarHBondContact CD2-O 3.11Å; L370-L404 HydrophobicContact CD2-CD2 3.38Å; L370-L404 HydrophobicContact CG-CD2 3.82Å
371	T	93.6	Very high	91.7	Very high	70 Å²	70	45.1 Å²	45.1	43%	0.429	23%	0.226	S	C	.	.	H	α-helix	trans	-62.8	-46	173.7	-62.3	0	0	0	0	111.2	V334 P367 L368 F369 K374 D375	V334-T371 HydrophobicContact CG1-CG2 3.65Å; P367-T371 PolarHBondContact O-N 3.33Å; P367-T371 VanDerWaalsContact O-N 3.09Å; P367-T371 PolarHBondContact O-OG1 3.09Å; L368-T371 PolarHBondContact O-N 3.49Å; F369-T371 VanDerWaalsContact C-N 3.35Å; F369-T371 PolarHBondContact O-N 3.16Å; T371-K374 CarbonylContact O-C 3.6Å; T371-K374 PolarHBondContact O-N 3.4Å; T371-D375 PolarHBondContact O-N 2.87Å
372	Q	93.3	Very high	91.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-71.8	-32.2	-179.7	-69.3	-173.7	-53.7	0	0	113.6	V334 L368 F369 K374 D375 V380 I384	V334-Q372 HydrophobicContact CG1-CG 3.84Å; V334-Q372 HydrophobicContact CG2-CG 4.3Å; L368-Q372 PolarHBondContact O-N 3.03Å; F369-Q372 PolarHBondContact O-N 2.71Å; Q372-K374 PolarHBondContact O-N 3.46Å; Q372-D375 VanDerWaalsContact O-CB 3.22Å; Q372-D375 WeakPolarHBondContact O-CB 3.46Å; Q372-D375 PolarHBondContact O-N 3.44Å; Q372-D375 VanDerWaalsContact O-N 3.14Å; Q372-V380 HydrophobicContact CB-CG1 3.87Å; Q372-V380 HydrophobicContact CG-CG1 4.19Å; Q372-I384 HydrophobicContact CB-CD1 4.08Å; Q372-I384 HydrophobicContact CB-CG1 3.77Å
373	L	90.1	Very high	91.4	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-62.7	-27.2	172.3	-80.1	166.5	0	0	0	112.6	F369 R381 I384 I385 L404 A407 L411	F369-L373 WeakPolarHBondContact O-CB 3.38Å; F369-L373 WeakPolarHBondContact O-CG 3.46Å; F369-L373 PolarHBondContact O-N 3.5Å; L373-R381 VanDerWaalsContact O-CD 3.24Å; L373-R381 WeakPolarHBondContact O-CD 3.23Å; L373-R381 WeakPolarHBondContact O-CG 3.32Å; L373-I384 HydrophobicContact CD1-CG2 4.22Å; L373-I384 HydrophobicContact CD2-CB 4Å; L373-I384 HydrophobicContact CD2-CG2 3.65Å; L373-I384 HydrophobicContact CG-CB 4.28Å; L373-I384 HydrophobicContact CG-CG2 3.66Å; L373-I385 HydrophobicContact CD2-CG1 4.06Å; L373-L404 HydrophobicContact CD1-CD1 4.31Å; L373-L404 HydrophobicContact CD1-CD2 3.75Å; L373-L404 HydrophobicContact CD1-CG 4.48Å; L373-A407 HydrophobicContact CB-CB 4.29Å; L373-A407 HydrophobicContact CD1-CB 4.36Å; L373-L411 HydrophobicContact CB-CD1 4.42Å; L373-L411 HydrophobicContact CD2-CD1 3.64Å
374	K	89.9	Confident	91.3	Very high	136 Å²	136	39.8 Å²	39.8	59%	0.591	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.6	11.5	177.6	-64.7	-179.3	177.5	-175.1	0	113	L370 T371 Q372	L370-K374 WeakPolarHBondContact O-CG 3.31Å; L370-K374 PolarHBondContact O-N 3Å; T371-K374 CarbonylContact O-C 3.6Å; T371-K374 PolarHBondContact O-N 3.4Å; Q372-K374 PolarHBondContact O-N 3.46Å
375	D	93.1	Very high	90.8	Very high	17 Å²	17	38 Å²	38	9%	0.091	19%	0.194	C	C	.	.			trans	-65.2	148.4	179.9	-162.6	-84.5	0	0	0	111	K342 T371 Q372 C377 V380 R381	K342-D375 WeakPolarHBondContact CD-OD2 3.43Å; K342-D375 WeakPolarHBondContact CE-OD2 3.5Å; K342-D375 VanDerWaalsContact NZ-CG 3.27Å; K342-D375 IonicContact NZ-OD1 2.75Å; K342-D375 PolarHBondContact NZ-OD1 3.26Å; K342-D375 IonicContact NZ-OD2 2.7Å; K342-D375 PolarHBondContact NZ-OD2 3.36Å; T371-D375 PolarHBondContact O-N 2.87Å; Q372-D375 VanDerWaalsContact O-CB 3.22Å; Q372-D375 WeakPolarHBondContact O-CB 3.46Å; Q372-D375 PolarHBondContact O-N 3.44Å; Q372-D375 VanDerWaalsContact O-N 3.14Å; D375-C377 VanDerWaalsContact C-N 3.27Å; D375-C377 PolarHBondContact O-N 3.25Å; D375-C377 VanDerWaalsContact OD1-CB 3.23Å; D375-C377 WeakPolarHBondContact OD1-CB 3.28Å; D375-C377 PolarHBondContact OD1-N 2.83Å; D375-V380 HydrophobicContact CB-CB 3.98Å; D375-V380 HydrophobicContact CB-CG1 3.69Å; D375-R381 HydrophobicContact CB-CG 4.45Å; D375-R381 WeakPolarHBondContact O-CD 3.44Å; D375-R381 WeakPolarHBondContact O-CG 3.33Å; D375-R381 PolarHBondContact O-NH1 2.78Å
376	E	89.9	Confident	90.3	Very high	187 Å²	187	41.4 Å²	41.4	87%	0.874	22%	0.218	S	C	*	.	S	Bend	trans	-67.8	-27.9	177.1	-61.9	-176.2	168.6	0	0	112.6	P378 R381	E376-P378 WeakPolarHBondContact O-CD 3.16Å; E376-R381 PolarHBondContact O-NH1 2.65Å
377	C	89.6	Confident	90	Very high	12 Å²	12	43.2 Å²	43.2	8%	0.081	23%	0.228	C	C	.	.			trans	-77.8	118.5	179.9	-173.5	0	0	0	0	111.4	Q339 D375 E379 V380 R381	Q339-C377 HydrophobicContact CB-CB 4.42Å; D375-C377 VanDerWaalsContact C-N 3.27Å; D375-C377 PolarHBondContact O-N 3.25Å; D375-C377 VanDerWaalsContact OD1-CB 3.23Å; D375-C377 WeakPolarHBondContact OD1-CB 3.28Å; D375-C377 PolarHBondContact OD1-N 2.83Å; C377-E379 PolarHBondContact O-N 2.87Å; C377-V380 HydrophobicContact CB-CB 4.27Å; C377-V380 HydrophobicContact CB-CG2 3.73Å; C377-V380 PolarHBondContact O-N 3.48Å; C377-R381 PolarHBondContact O-N 2.71Å; C377-R381 PolarHBondContact O-NH1 3.24Å
378	P	87.3	Confident	89.4	Confident	40 Å²	40	40.2 Å²	40.2	26%	0.26	21%	0.208	S	C	.	.	H	α-helix	trans	-60.5	-31.4	-179	-21.3	31.6	0	0	0	114.1	E376 R381 L382 K416 V419	E376-P378 WeakPolarHBondContact O-CD 3.16Å; P378-R381 VanDerWaalsContact CA-CZ 3.48Å; P378-R381 PolarHBondContact O-N 2.99Å; P378-L382 VanDerWaalsContact O-CB 3.26Å; P378-L382 WeakPolarHBondContact O-CB 3.39Å; P378-L382 PolarHBondContact O-N 2.69Å; P378-K416 HydrophobicContact CB-CB 4.28Å; P378-K416 HydrophobicContact CB-CG 4.04Å; P378-K416 HydrophobicContact CG-CB 4.42Å; P378-K416 HydrophobicContact CG-CD 4.45Å; P378-K416 HydrophobicContact CG-CG 3.65Å; P378-V419 HydrophobicContact CB-CG2 3.84Å
379	E	89.1	Confident	88.6	Confident	93 Å²	93	42.4 Å²	42.4	44%	0.435	22%	0.221	S	C	.	.	H	α-helix	trans	-67.7	-39.1	-179.7	-159.9	-175.3	139	0	0	111.6	S343 C377 L382 N383	S343-E379 WeakPolarHBondContact OG-CG 3.15Å; S343-E379 PolarHBondContact OG-OE1 3.1Å; C377-E379 PolarHBondContact O-N 2.87Å; E379-L382 PolarHBondContact O-N 3.27Å; E379-N383 WeakPolarHBondContact O-CB 3.35Å; E379-N383 VanDerWaalsContact O-CG 3.24Å; E379-N383 PolarHBondContact O-N 2.87Å
380	V	93.4	Very high	88	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61	-49.7	175	177.7	0	0	0	0	110.2	K342 A346 Q372 D375 C377 L382 N383 I384	K342-V380 HydrophobicContact CB-CG2 3.68Å; A346-V380 HydrophobicContact CB-CG1 3.97Å; Q372-V380 HydrophobicContact CB-CG1 3.87Å; Q372-V380 HydrophobicContact CG-CG1 4.19Å; D375-V380 HydrophobicContact CB-CB 3.98Å; D375-V380 HydrophobicContact CB-CG1 3.69Å; C377-V380 HydrophobicContact CB-CB 4.27Å; C377-V380 HydrophobicContact CB-CG2 3.73Å; C377-V380 PolarHBondContact O-N 3.48Å; V380-L382 VanDerWaalsContact C-N 3.34Å; V380-L382 PolarHBondContact O-N 3.11Å; V380-N383 PolarHBondContact O-N 3.49Å; V380-I384 PolarHBondContact O-N 2.96Å
381	R	89.9	Confident	87.6	Confident	22 Å²	22	41.8 Å²	41.8	8%	0.083	22%	0.22	C	C	.	.	H	α-helix	trans	-60.6	-45.4	179.1	-55.6	-167.8	-63.1	-82.8	5.9	111.4	L373 D375 E376 C377 P378 N383 I384 I385 L411 D414	L373-R381 VanDerWaalsContact O-CD 3.24Å; L373-R381 WeakPolarHBondContact O-CD 3.23Å; L373-R381 WeakPolarHBondContact O-CG 3.32Å; D375-R381 HydrophobicContact CB-CG 4.45Å; D375-R381 WeakPolarHBondContact O-CD 3.44Å; D375-R381 WeakPolarHBondContact O-CG 3.33Å; D375-R381 PolarHBondContact O-NH1 2.78Å; E376-R381 PolarHBondContact O-NH1 2.65Å; C377-R381 PolarHBondContact O-N 2.71Å; C377-R381 PolarHBondContact O-NH1 3.24Å; P378-R381 VanDerWaalsContact CA-CZ 3.48Å; P378-R381 PolarHBondContact O-N 2.99Å; R381-N383 PolarHBondContact O-N 3.41Å; R381-I384 PolarHBondContact O-N 3.17Å; R381-I385 WeakPolarHBondContact O-CD1 3.3Å; R381-I385 VanDerWaalsContact O-CG1 3.29Å; R381-I385 WeakPolarHBondContact O-CG1 3.44Å; R381-I385 PolarHBondContact O-N 2.9Å; R381-L411 HydrophobicContact CB-CD2 4.23Å; R381-L411 VanDerWaalsContact CD-CD2 3.45Å; R381-L411 HydrophobicContact CG-CD2 4.36Å; R381-D414 IonicContact CZ-OD2 3.52Å; R381-D414 IonicContact NE-OD2 3.5Å; R381-D414 PolarHBondContact NE-OD2 2.99Å; R381-D414 VanDerWaalsContact NH2-CG 3.34Å; R381-D414 IonicContact NH2-OD1 2.71Å; R381-D414 PolarHBondContact NH2-OD1 2.79Å; R381-D414 IonicContact NH2-OD2 2.71Å; R381-D414 PolarHBondContact NH2-OD2 2.96Å
382	L	86.9	Confident	86.8	Confident	44 Å²	44	39.3 Å²	39.3	23%	0.23	20%	0.204	C	C	.	.	H	α-helix	trans	-58.2	-46.8	177.4	177.5	62.5	0	0	0	111.8	P378 E379 V380 I384 I385 S386 A422	P378-L382 VanDerWaalsContact O-CB 3.26Å; P378-L382 WeakPolarHBondContact O-CB 3.39Å; P378-L382 PolarHBondContact O-N 2.69Å; E379-L382 PolarHBondContact O-N 3.27Å; V380-L382 VanDerWaalsContact C-N 3.34Å; V380-L382 PolarHBondContact O-N 3.11Å; L382-I384 VanDerWaalsContact C-N 3.31Å; L382-I384 PolarHBondContact O-N 2.82Å; L382-I385 PolarHBondContact O-N 3.14Å; L382-S386 PolarHBondContact O-N 3.16Å; L382-S386 PolarHBondContact O-OG 3.08Å; L382-A422 HydrophobicContact CD1-CB 3.22Å
383	N	89.9	Confident	86.2	Confident	34 Å²	34	47 Å²	47	18%	0.182	24%	0.24	C	C	.	.	H	α-helix	trans	-64.3	-34.9	-178.5	-74.5	-9.6	0	0	0	112.8	S343 A346 E379 V380 R381 N387	S343-N383 PolarHBondContact O-ND2 3.35Å; S343-N383 PolarHBondContact OG-ND2 3.48Å; A346-N383 HydrophobicContact CB-CB 3.86Å; E379-N383 WeakPolarHBondContact O-CB 3.35Å; E379-N383 VanDerWaalsContact O-CG 3.24Å; E379-N383 PolarHBondContact O-N 2.87Å; V380-N383 PolarHBondContact O-N 3.49Å; R381-N383 PolarHBondContact O-N 3.41Å; N383-N387 PolarHBondContact O-ND2 3.19Å
384	I	90.6	Very high	85.9	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-69.2	-45.7	173.3	-59.8	-64.6	0	0	0	110.9	A346 I349 M350 Q372 L373 V380 R381 L382 S386 N387 L388	A346-I384 HydrophobicContact CB-CD1 3.77Å; A346-I384 HydrophobicContact CB-CG1 3.95Å; A346-I384 WeakPolarHBondContact O-CD1 3.09Å; I349-I384 HydrophobicContact CG2-CD1 3.66Å; M350-I384 HydrophobicContact CE-CG2 4.34Å; M350-I384 HydrophobicContact CG-CD1 4.3Å; M350-I384 HydrophobicContact SD-CB 4.45Å; M350-I384 HydrophobicContact SD-CG2 3.7Å; Q372-I384 HydrophobicContact CB-CD1 4.08Å; Q372-I384 HydrophobicContact CB-CG1 3.77Å; L373-I384 HydrophobicContact CD1-CG2 4.22Å; L373-I384 HydrophobicContact CD2-CB 4Å; L373-I384 HydrophobicContact CD2-CG2 3.65Å; L373-I384 HydrophobicContact CG-CB 4.28Å; L373-I384 HydrophobicContact CG-CG2 3.66Å; V380-I384 PolarHBondContact O-N 2.96Å; R381-I384 PolarHBondContact O-N 3.17Å; L382-I384 VanDerWaalsContact C-N 3.31Å; L382-I384 PolarHBondContact O-N 2.82Å; I384-S386 VanDerWaalsContact C-N 3.31Å; I384-S386 PolarHBondContact O-N 3.18Å; I384-N387 PolarHBondContact O-N 3Å; I384-N387 VanDerWaalsContact O-N 3.16Å; I384-L388 PolarHBondContact O-N 2.93Å
385	I	84.1	Confident	85.5	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-58	-46.6	179.9	-66.3	157.4	0	0	0	111	L373 R381 L382 N387 L388 L411 V419 A422 I423	L373-I385 HydrophobicContact CD2-CG1 4.06Å; R381-I385 WeakPolarHBondContact O-CD1 3.3Å; R381-I385 VanDerWaalsContact O-CG1 3.29Å; R381-I385 WeakPolarHBondContact O-CG1 3.44Å; R381-I385 PolarHBondContact O-N 2.9Å; L382-I385 PolarHBondContact O-N 3.14Å; I385-N387 PolarHBondContact O-N 3.38Å; I385-N387 VanDerWaalsContact O-N 3.08Å; I385-L388 HydrophobicContact CB-CD1 4.44Å; I385-L388 HydrophobicContact CG2-CD1 4.29Å; I385-L388 WeakPolarHBondContact O-CB 3.24Å; I385-L388 WeakPolarHBondContact O-CG 3.44Å; I385-L388 PolarHBondContact O-N 3.33Å; I385-L411 HydrophobicContact CD1-CB 4.48Å; I385-L411 HydrophobicContact CD1-CD1 3.94Å; I385-L411 HydrophobicContact CG1-CD1 4.2Å; I385-V419 HydrophobicContact CD1-CG1 4Å; I385-A422 HydrophobicContact CG2-CB 4.18Å; I385-I423 HydrophobicContact CB-CD1 4.46Å; I385-I423 HydrophobicContact CD1-CD1 3.46Å; I385-I423 VanDerWaalsContact CD1-CD1 3.46Å; I385-I423 HydrophobicContact CD1-CG1 3.93Å; I385-I423 HydrophobicContact CG1-CD1 3.74Å; I385-I423 HydrophobicContact CG2-CD1 3.84Å
386	S	83.9	Confident	84.6	Confident	72 Å²	72	42.9 Å²	42.9	50%	0.503	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-15.6	-177.2	-59.7	0	0	0	0	113.9	L382 I384	L382-S386 PolarHBondContact O-N 3.16Å; L382-S386 PolarHBondContact O-OG 3.08Å; I384-S386 VanDerWaalsContact C-N 3.31Å; I384-S386 PolarHBondContact O-N 3.18Å
387	N	83.3	Confident	83.6	Confident	51 Å²	51	35.3 Å²	35.3	27%	0.273	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	13.4	-178.3	-70.3	-62.7	0	0	0	113.5	S347 M350 N383 I384 I385 D389 C390	S347-N387 PolarHBondContact O-ND2 3.4Å; S347-N387 VanDerWaalsContact O-ND2 3.15Å; M350-N387 HydrophobicContact CB-CB 4.12Å; M350-N387 HydrophobicContact CG-CB 4.33Å; M350-N387 HydrophobicContact SD-CB 3.76Å; M350-N387 VanDerWaalsContact SD-O 3.38Å; N383-N387 PolarHBondContact O-ND2 3.19Å; I384-N387 PolarHBondContact O-N 3Å; I384-N387 VanDerWaalsContact O-N 3.16Å; I385-N387 PolarHBondContact O-N 3.38Å; I385-N387 VanDerWaalsContact O-N 3.08Å; N387-D389 PolarHBondContact O-N 3.15Å; N387-D389 VanDerWaalsContact O-N 3.15Å; N387-C390 PolarHBondContact O-N 2.98Å
388	L	80.9	Confident	82.7	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-59.2	-26.8	-179	-81.7	165.8	0	0	0	113.8	M350 I384 I385 C390 V391 N392 L404 I408 Y426	M350-L388 HydrophobicContact CE-CD2 3.74Å; M350-L388 HydrophobicContact CE-CG 4.24Å; I384-L388 PolarHBondContact O-N 2.93Å; I385-L388 HydrophobicContact CB-CD1 4.44Å; I385-L388 HydrophobicContact CG2-CD1 4.29Å; I385-L388 WeakPolarHBondContact O-CB 3.24Å; I385-L388 WeakPolarHBondContact O-CG 3.44Å; I385-L388 PolarHBondContact O-N 3.33Å; L388-C390 VanDerWaalsContact C-N 3.3Å; L388-C390 PolarHBondContact O-N 3.16Å; L388-V391 PolarHBondContact O-N 3.48Å; L388-N392 WeakPolarHBondContact O-CB 3.48Å; L388-N392 PolarHBondContact O-N 3.34Å; L388-N392 VanDerWaalsContact O-N 3.17Å; L388-L404 HydrophobicContact CD2-CD1 3.49Å; L388-L404 VanDerWaalsContact CD2-CD1 3.49Å; L388-I408 HydrophobicContact CD1-CD1 4.33Å; L388-Y426 HydrophobicContact CB-CE1 4.14Å; L388-Y426 HydrophobicContact CB-CE2 3.75Å; L388-Y426 WeakPolarHBondContact CB-OH 3.35Å; L388-Y426 HydrophobicContact CD1-CD1 4Å; L388-Y426 HydrophobicContact CD1-CE1 3.63Å
389	D	78.7	Confident	81.9	Confident	65 Å²	65	47.1 Å²	47.1	35%	0.348	24%	0.239	S	C	.	.	H	α-helix	trans	-58.3	-39.9	179.1	-66.8	-39.7	0	0	0	112.5	N387 V391 N392 E393 L429	N387-D389 PolarHBondContact O-N 3.15Å; N387-D389 VanDerWaalsContact O-N 3.15Å; D389-V391 VanDerWaalsContact C-N 3.33Å; D389-V391 PolarHBondContact O-N 3.43Å; D389-N392 WeakPolarHBondContact O-CB 3.31Å; D389-N392 PolarHBondContact O-N 3.06Å; D389-E393 PolarHBondContact O-N 3.25Å; D389-L429 WeakPolarHBondContact OD1-CD1 3.46Å; D389-L429 WeakPolarHBondContact OD1-CD2 3.45Å
390	C	79.9	Confident	81.1	Confident	33 Å²	33	42.8 Å²	42.8	22%	0.223	22%	0.219	C	C	.	.	H	α-helix	trans	-60.2	-42.5	-178.1	-63.1	0	0	0	0	112.1	S353 N387 L388	S353-C390 PolarHBondContact OG-O 2.91Å; N387-C390 PolarHBondContact O-N 2.98Å; L388-C390 VanDerWaalsContact C-N 3.3Å; L388-C390 PolarHBondContact O-N 3.16Å
391	V	81.4	Confident	79.9	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-76.8	-34.3	-177.9	174.3	0	0	0	0	110.8	M350 S353 T361 F369 L388 D389 E393 V394 I395 L400	M350-V391 HydrophobicContact CB-CG2 3.96Å; M350-V391 HydrophobicContact CE-CB 3.82Å; M350-V391 HydrophobicContact CE-CG2 3.3Å; M350-V391 HydrophobicContact CG-CG2 4.27Å; S353-V391 WeakPolarHBondContact OG-CG2 3.4Å; T361-V391 HydrophobicContact CG2-CG1 4.38Å; F369-V391 HydrophobicContact CD2-CG2 4.2Å; F369-V391 HydrophobicContact CE2-CG1 4.24Å; F369-V391 HydrophobicContact CE2-CG2 3.46Å; F369-V391 VanDerWaalsContact CE2-CG2 3.46Å; F369-V391 HydrophobicContact CZ-CG2 3.92Å; L388-V391 PolarHBondContact O-N 3.48Å; D389-V391 VanDerWaalsContact C-N 3.33Å; D389-V391 PolarHBondContact O-N 3.43Å; V391-E393 VanDerWaalsContact C-N 3.3Å; V391-E393 PolarHBondContact O-N 3.44Å; V391-V394 PolarHBondContact O-N 3.47Å; V391-I395 HydrophobicContact CG1-CD1 3.65Å; V391-I395 HydrophobicContact CG1-CG1 3.89Å; V391-I395 HydrophobicContact CG1-CG2 4.4Å; V391-I395 WeakPolarHBondContact O-CG1 3.39Å; V391-I395 PolarHBondContact O-N 3.31Å; V391-L400 HydrophobicContact CG1-CD1 3.86Å
392	N	78.4	Confident	79.3	Confident	17 Å²	17	49.9 Å²	49.9	9%	0.091	26%	0.255	C	S	.	.	H	α-helix	trans	-60.9	-38.3	-179.9	-174.6	32.6	0	0	0	112.7	L388 D389 V394 G396 I397 L400 Q433	L388-N392 WeakPolarHBondContact O-CB 3.48Å; L388-N392 PolarHBondContact O-N 3.34Å; L388-N392 VanDerWaalsContact O-N 3.17Å; D389-N392 WeakPolarHBondContact O-CB 3.31Å; D389-N392 PolarHBondContact O-N 3.06Å; N392-V394 PolarHBondContact O-N 2.78Å; N392-G396 WeakPolarHBondContact O-CA 3.38Å; N392-G396 PolarHBondContact O-N 3.49Å; N392-G396 VanDerWaalsContact O-N 3.16Å; N392-I397 PolarHBondContact OD1-N 3.27Å; N392-L400 HydrophobicContact CB-CD2 4.18Å; N392-Q433 PolarHBondContact ND2-NE2 3.43Å; N392-Q433 PolarHBondContact ND2-OE1 3.08Å
393	E	79.9	Confident	78.8	Confident	163 Å²	163	49.6 Å²	49.6	76%	0.762	26%	0.257	S	S	*	.	H	α-helix	trans	-60.5	-30	174.1	-68.8	-177.7	173.5	0	0	112.9	D389 V391	D389-E393 PolarHBondContact O-N 3.25Å; V391-E393 VanDerWaalsContact C-N 3.3Å; V391-E393 PolarHBondContact O-N 3.44Å
394	V	84.8	Confident	78.2	Confident	31 Å²	31	48 Å²	48	19%	0.188	25%	0.249	C	C	.	.	H	α-helix	trans	-92.9	-53.9	-172.3	179.7	0	0	0	0	112.6	T354 K358 V391 N392	T354-V394 HydrophobicContact CG2-CG2 3.91Å; K358-V394 HydrophobicContact CB-CG1 4.33Å; V391-V394 PolarHBondContact O-N 3.47Å; N392-V394 PolarHBondContact O-N 2.78Å
395	I	80.2	Confident	77.6	Confident	5 Å²	5	49.1 Å²	49.1	3%	0.026	26%	0.255	C	S	.	.	H	α-helix	trans	-88.3	-23.6	-173.8	69.2	174.6	0	0	0	112.8	T361 I362 V391 L400	T361-I395 HydrophobicContact CG2-CG2 3.67Å; I362-I395 HydrophobicContact CD1-CG2 4.34Å; I362-I395 HydrophobicContact CG1-CB 4.35Å; I362-I395 HydrophobicContact CG1-CG2 3.8Å; V391-I395 HydrophobicContact CG1-CD1 3.65Å; V391-I395 HydrophobicContact CG1-CG1 3.89Å; V391-I395 HydrophobicContact CG1-CG2 4.4Å; V391-I395 WeakPolarHBondContact O-CG1 3.39Å; V391-I395 PolarHBondContact O-N 3.31Å; I395-L400 HydrophobicContact CD1-CB 4.03Å; I395-L400 HydrophobicContact CD1-CD1 3.64Å; I395-L400 HydrophobicContact CD1-CG 4.49Å; I395-L400 HydrophobicContact CG1-CB 4.39Å; I395-L400 HydrophobicContact CG1-CD1 4.3Å
396	G	75.2	Confident	77.5	Confident	30 Å²	30	53 Å²	53	31%	0.309	28%	0.28	S	S	.	.			trans	78.4	149.3	-172.7	0	0	0	0	0	113.4	N392 R398 Q399 L400	N392-G396 WeakPolarHBondContact O-CA 3.38Å; N392-G396 PolarHBondContact O-N 3.49Å; N392-G396 VanDerWaalsContact O-N 3.16Å; G396-R398 VanDerWaalsContact C-N 3.28Å; G396-R398 PolarHBondContact O-N 3.24Å; G396-R398 VanDerWaalsContact O-N 3.11Å; G396-Q399 PolarHBondContact O-N 3.3Å; G396-L400 PolarHBondContact O-N 3.23Å
397	I	68.9	Low	77.5	Confident	29 Å²	29	49.7 Å²	49.7	15%	0.149	26%	0.257	C	S	.	.	H	α-helix	trans	-57.8	-31.2	-169.8	-167.7	62.9	0	0	0	115	N392 Q399 L400 S401 Q433 L434	N392-I397 PolarHBondContact OD1-N 3.27Å; I397-Q399 PolarHBondContact O-N 2.87Å; I397-L400 HydrophobicContact CD1-CD2 3.94Å; I397-L400 PolarHBondContact O-N 3.16Å; I397-S401 VanDerWaalsContact O-CB 3.22Å; I397-S401 WeakPolarHBondContact O-CB 3.34Å; I397-S401 PolarHBondContact O-N 2.84Å; I397-S401 PolarHBondContact O-OG 2.97Å; I397-Q433 HydrophobicContact CB-CB 4.23Å; I397-Q433 HydrophobicContact CD1-CB 4.21Å; I397-Q433 HydrophobicContact CG1-CB 3.8Å; I397-Q433 HydrophobicContact CG2-CB 4.39Å; I397-L434 HydrophobicContact CD1-CD2 4.09Å; I397-L434 HydrophobicContact CD1-CG 4.28Å; I397-L434 HydrophobicContact CG1-CD2 3.46Å; I397-L434 VanDerWaalsContact CG1-CD2 3.46Å; I397-L434 HydrophobicContact CG1-CG 3.89Å
398	R	69.7	Low	77.3	Confident	211 Å²	211	47.5 Å²	47.5	80%	0.796	25%	0.245	S	C	*	.	H	α-helix	trans	-63.6	-47.4	-175.8	-70.6	-175.4	-179.7	172.9	0.2	112.4	G396 S401 Q402	G396-R398 VanDerWaalsContact C-N 3.28Å; G396-R398 PolarHBondContact O-N 3.24Å; G396-R398 VanDerWaalsContact O-N 3.11Å; R398-S401 PolarHBondContact O-N 3.02Å; R398-S401 PolarHBondContact O-OG 3.04Å; R398-Q402 PolarHBondContact O-N 2.91Å; R398-Q402 VanDerWaalsContact O-N 3.16Å
399	Q	71.7	Confident	77.4	Confident	88 Å²	88	49.7 Å²	49.7	41%	0.411	26%	0.258	S	S	.	.	H	α-helix	trans	-71.9	-38.5	177.5	-69	-66.1	-15.7	0	0	111	G396 I397 S401 Q402 S403	G396-Q399 PolarHBondContact O-N 3.3Å; I397-Q399 PolarHBondContact O-N 2.87Å; Q399-S401 VanDerWaalsContact C-N 3.27Å; Q399-S401 PolarHBondContact O-N 3.04Å; Q399-Q402 PolarHBondContact O-N 3.39Å; Q399-S403 PolarHBondContact O-N 3.25Å; Q399-S403 VanDerWaalsContact O-N 3.15Å
400	L	71.1	Confident	77.8	Confident	3 Å²	3	52.5 Å²	52.5	2%	0.016	27%	0.27	C	S	.	.	H	α-helix	trans	-56.2	-44.4	172.8	-163.4	79.5	0	0	0	111	V391 N392 I395 G396 I397 S403 L404	V391-L400 HydrophobicContact CG1-CD1 3.86Å; N392-L400 HydrophobicContact CB-CD2 4.18Å; I395-L400 HydrophobicContact CD1-CB 4.03Å; I395-L400 HydrophobicContact CD1-CD1 3.64Å; I395-L400 HydrophobicContact CD1-CG 4.49Å; I395-L400 HydrophobicContact CG1-CB 4.39Å; I395-L400 HydrophobicContact CG1-CD1 4.3Å; G396-L400 PolarHBondContact O-N 3.23Å; I397-L400 HydrophobicContact CD1-CD2 3.94Å; I397-L400 PolarHBondContact O-N 3.16Å; L400-S403 PolarHBondContact O-N 3.42Å; L400-L404 HydrophobicContact CD1-CD1 3.28Å; L400-L404 HydrophobicContact CD1-CG 3.98Å; L400-L404 HydrophobicContact CG-CD1 3.82Å; L400-L404 HydrophobicContact CG-CG 4.26Å; L400-L404 WeakPolarHBondContact O-CA 3.39Å; L400-L404 VanDerWaalsContact O-CB 3.28Å; L400-L404 WeakPolarHBondContact O-CB 3.5Å; L400-L404 PolarHBondContact O-N 3.35Å
401	S	68.9	Low	78.1	Confident	25 Å²	25	51.3 Å²	51.3	18%	0.175	26%	0.261	C	S	.	.	H	α-helix	trans	-66.5	-39.6	-179.7	79.5	0	0	0	0	112.5	I397 R398 Q399 S403 L405 L434	I397-S401 VanDerWaalsContact O-CB 3.22Å; I397-S401 WeakPolarHBondContact O-CB 3.34Å; I397-S401 PolarHBondContact O-N 2.84Å; I397-S401 PolarHBondContact O-OG 2.97Å; R398-S401 PolarHBondContact O-N 3.02Å; R398-S401 PolarHBondContact O-OG 3.04Å; Q399-S401 VanDerWaalsContact C-N 3.27Å; Q399-S401 PolarHBondContact O-N 3.04Å; S401-S403 VanDerWaalsContact C-N 3.33Å; S401-S403 PolarHBondContact O-N 3.15Å; S401-L405 WeakPolarHBondContact O-CB 3.34Å; S401-L405 PolarHBondContact O-N 3.16Å; S401-L434 VanDerWaalsContact CB-CD2 3.4Å
402	Q	77.4	Confident	78.3	Confident	145 Å²	145	51.4 Å²	51.4	68%	0.678	26%	0.262	S	S	*	.	H	α-helix	trans	-68.1	-35.9	-179.7	-169.4	172.4	0.1	0	0	112	R398 Q399	R398-Q402 PolarHBondContact O-N 2.91Å; R398-Q402 VanDerWaalsContact O-N 3.16Å; Q399-Q402 PolarHBondContact O-N 3.39Å
403	S	76.8	Confident	78.9	Confident	39 Å²	39	57.3 Å²	57.3	27%	0.273	29%	0.289	S	S	.	.	H	α-helix	trans	-93.7	-42.4	-175.3	-59.6	0	0	0	0	113.8	L370 Q399 L400 S401	L370-S403 WeakPolarHBondContact CD2-O 3.11Å; Q399-S403 PolarHBondContact O-N 3.25Å; Q399-S403 VanDerWaalsContact O-N 3.15Å; L400-S403 PolarHBondContact O-N 3.42Å; S401-S403 VanDerWaalsContact C-N 3.33Å; S401-S403 PolarHBondContact O-N 3.15Å
404	L	76.1	Confident	79.3	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-96.7	-22	-172.3	-57.4	-167.4	0	0	0	114.2	L366 L370 L373 L388 L400 P406 A407 I408	L366-L404 HydrophobicContact CD1-CD2 3.8Å; L366-L404 HydrophobicContact CD1-CG 4.27Å; L370-L404 HydrophobicContact CD2-CD2 3.38Å; L370-L404 HydrophobicContact CG-CD2 3.82Å; L373-L404 HydrophobicContact CD1-CD1 4.31Å; L373-L404 HydrophobicContact CD1-CD2 3.75Å; L373-L404 HydrophobicContact CD1-CG 4.48Å; L388-L404 HydrophobicContact CD2-CD1 3.49Å; L388-L404 VanDerWaalsContact CD2-CD1 3.49Å; L400-L404 HydrophobicContact CD1-CD1 3.28Å; L400-L404 HydrophobicContact CD1-CG 3.98Å; L400-L404 HydrophobicContact CG-CD1 3.82Å; L400-L404 HydrophobicContact CG-CG 4.26Å; L400-L404 WeakPolarHBondContact O-CA 3.39Å; L400-L404 VanDerWaalsContact O-CB 3.28Å; L400-L404 WeakPolarHBondContact O-CB 3.5Å; L400-L404 PolarHBondContact O-N 3.35Å; L404-P406 VanDerWaalsContact C-CD 3.49Å; L404-A407 WeakPolarHBondContact O-CB 3.29Å; L404-A407 PolarHBondContact O-N 3.02Å; L404-I408 HydrophobicContact CB-CD1 4.24Å; L404-I408 WeakPolarHBondContact O-CG1 3.45Å; L404-I408 PolarHBondContact O-N 3.41Å
405	L	78.1	Confident	79.5	Confident	24 Å²	24	53.4 Å²	53.4	13%	0.126	29%	0.285	C	S	.	.	H	α-helix	trans	-55.6	-44.4	-177.8	-176.4	89.2	0	0	0	113	S401 A407 I408 V409 F438 L443	S401-L405 WeakPolarHBondContact O-CB 3.34Å; S401-L405 PolarHBondContact O-N 3.16Å; L405-A407 PolarHBondContact O-N 3.25Å; L405-I408 PolarHBondContact O-N 3.01Å; L405-I408 VanDerWaalsContact O-N 3.13Å; L405-V409 HydrophobicContact CG-CG2 4.14Å; L405-V409 VanDerWaalsContact O-CG2 3.31Å; L405-V409 WeakPolarHBondContact O-CG2 3.21Å; L405-V409 PolarHBondContact O-N 2.8Å; L405-F438 HydrophobicContact CD1-CE1 3.68Å; L405-F438 HydrophobicContact CD1-CZ 3.82Å; L405-F438 HydrophobicContact CD2-CE1 4.09Å; L405-F438 HydrophobicContact CD2-CE2 4.44Å; L405-F438 HydrophobicContact CD2-CZ 3.45Å; L405-F438 VanDerWaalsContact CD2-CZ 3.45Å; L405-F438 HydrophobicContact CG-CZ 4.2Å; L405-L443 HydrophobicContact CD1-CD2 3.96Å
406	P	82.9	Confident	80	Confident	83 Å²	83	59 Å²	59	54%	0.539	31%	0.309	S	S	.	.	H	α-helix	trans	-57.2	-38.8	177.8	-24.7	35.8	0	0	0	112.3	L404 E410	L404-P406 VanDerWaalsContact C-CD 3.49Å; P406-E410 PolarHBondContact O-N 3.42Å; P406-E410 VanDerWaalsContact O-N 3.15Å
407	A	83.6	Confident	80.8	Confident	2 Å²	2	61.9 Å²	61.9	2%	0.017	31%	0.311	C	S	.	.	H	α-helix	trans	-70.4	-42.9	176.3	0	0	0	0	0	111.6	L373 L404 L405 V409 E410 L411	L373-A407 HydrophobicContact CB-CB 4.29Å; L373-A407 HydrophobicContact CD1-CB 4.36Å; L404-A407 WeakPolarHBondContact O-CB 3.29Å; L404-A407 PolarHBondContact O-N 3.02Å; L405-A407 PolarHBondContact O-N 3.25Å; A407-V409 VanDerWaalsContact C-N 3.3Å; A407-V409 PolarHBondContact O-N 2.81Å; A407-E410 WeakPolarHBondContact O-CB 3.38Å; A407-E410 PolarHBondContact O-N 3.38Å; A407-L411 WeakPolarHBondContact O-CG 3.34Å; A407-L411 PolarHBondContact O-N 3.38Å
408	I	79.4	Confident	81.8	Confident	4 Å²	4	68.5 Å²	68.5	2%	0.021	33%	0.334	C	S	.	.	H	α-helix	trans	-60	-40.9	177.1	-69.1	171.3	0	0	0	111.3	L388 L404 L405 L411 A412 I423 L430	L388-I408 HydrophobicContact CD1-CD1 4.33Å; L404-I408 HydrophobicContact CB-CD1 4.24Å; L404-I408 WeakPolarHBondContact O-CG1 3.45Å; L404-I408 PolarHBondContact O-N 3.41Å; L405-I408 PolarHBondContact O-N 3.01Å; L405-I408 VanDerWaalsContact O-N 3.13Å; I408-L411 PolarHBondContact O-N 3.46Å; I408-A412 PolarHBondContact O-N 3.46Å; I408-I423 HydrophobicContact CG2-CD1 4.27Å; I408-I423 HydrophobicContact CG2-CG2 4.33Å; I408-L430 HydrophobicContact CD1-CD1 3.71Å; I408-L430 HydrophobicContact CG2-CD1 4.5Å
409	V	82.9	Confident	82.7	Confident	46 Å²	46	58.5 Å²	58.5	28%	0.279	30%	0.296	S	S	.	.	H	α-helix	trans	-64.5	-42	176.7	169.9	0	0	0	0	111	L405 A407 L411 A412 L446	L405-V409 HydrophobicContact CG-CG2 4.14Å; L405-V409 VanDerWaalsContact O-CG2 3.31Å; L405-V409 WeakPolarHBondContact O-CG2 3.21Å; L405-V409 PolarHBondContact O-N 2.8Å; A407-V409 VanDerWaalsContact C-N 3.3Å; A407-V409 PolarHBondContact O-N 2.81Å; V409-L411 VanDerWaalsContact C-N 3.31Å; V409-L411 PolarHBondContact O-N 2.97Å; V409-A412 WeakPolarHBondContact O-CB 3.29Å; V409-A412 PolarHBondContact O-N 3.05Å; V409-L446 HydrophobicContact CB-CD1 4.27Å; V409-L446 HydrophobicContact CG1-CD1 4.04Å; V409-L446 HydrophobicContact CG2-CD1 3.92Å
410	E	85.4	Confident	83.7	Confident	125 Å²	125	54.7 Å²	54.7	58%	0.584	28%	0.278	S	S	*	.	H	α-helix	trans	-62.3	-39.4	174.6	-171.2	175.7	-178.7	0	0	111.6	P406 A407 E413	P406-E410 PolarHBondContact O-N 3.42Å; P406-E410 VanDerWaalsContact O-N 3.15Å; A407-E410 WeakPolarHBondContact O-CB 3.38Å; A407-E410 PolarHBondContact O-N 3.38Å; E410-E413 PolarHBondContact O-N 3.26Å
411	L	86.4	Confident	84.7	Confident	8 Å²	8	56.3 Å²	56.3	4%	0.042	29%	0.286	C	S	.	.	H	α-helix	trans	-74.2	-24.7	179.5	-63.2	167.5	0	0	0	113.6	L373 R381 I385 A407 I408 V409 E413 D414 V419 I423	L373-L411 HydrophobicContact CB-CD1 4.42Å; L373-L411 HydrophobicContact CD2-CD1 3.64Å; R381-L411 HydrophobicContact CB-CD2 4.23Å; R381-L411 VanDerWaalsContact CD-CD2 3.45Å; R381-L411 HydrophobicContact CG-CD2 4.36Å; I385-L411 HydrophobicContact CD1-CB 4.48Å; I385-L411 HydrophobicContact CD1-CD1 3.94Å; I385-L411 HydrophobicContact CG1-CD1 4.2Å; A407-L411 WeakPolarHBondContact O-CG 3.34Å; A407-L411 PolarHBondContact O-N 3.38Å; I408-L411 PolarHBondContact O-N 3.46Å; V409-L411 VanDerWaalsContact C-N 3.31Å; V409-L411 PolarHBondContact O-N 2.97Å; L411-E413 PolarHBondContact O-N 3.23Å; L411-D414 VanDerWaalsContact O-CB 3.29Å; L411-D414 WeakPolarHBondContact O-CB 3.43Å; L411-D414 PolarHBondContact O-N 3.45Å; L411-V419 HydrophobicContact CB-CG1 4.22Å; L411-V419 HydrophobicContact CD2-CG1 4.08Å; L411-I423 HydrophobicContact CB-CD1 3.9Å; L411-I423 HydrophobicContact CB-CG1 3.97Å
412	A	87.1	Confident	85.5	Confident	2 Å²	2	55.6 Å²	55.6	2%	0.017	28%	0.282	C	S	.	.	H	α-helix	trans	-61.4	-23	172.9	0	0	0	0	0	112.5	I408 V409 R420 I423 L446 W450	I408-A412 PolarHBondContact O-N 3.46Å; V409-A412 WeakPolarHBondContact O-CB 3.29Å; V409-A412 PolarHBondContact O-N 3.05Å; A412-R420 WeakPolarHBondContact O-CD 3.43Å; A412-I423 HydrophobicContact CB-CG2 4.12Å; A412-L446 HydrophobicContact CB-CD1 4.13Å; A412-L446 HydrophobicContact CB-CD2 4.13Å; A412-W450 HydrophobicContact CB-CZ2 3.68Å; A412-W450 PolarHBondContact O-NE1 3.36Å
413	E	89.5	Confident	86.1	Confident	140 Å²	140	48.8 Å²	48.8	65%	0.654	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.2	13.2	179.8	-60.3	-175.2	158.6	0	0	112.6	E410 L411 L446	E410-E413 PolarHBondContact O-N 3.26Å; L411-E413 PolarHBondContact O-N 3.23Å; E413-L446 HydrophobicContact CG-CD2 4.21Å
414	D	90	Very high	86.8	Confident	19 Å²	19	47 Å²	47	10%	0.102	24%	0.238	C	C	.	.			trans	-55.3	140.6	-177.3	-166.2	-63.8	0	0	0	112	R381 L411 K416 V419 R420	R381-D414 IonicContact CZ-OD2 3.52Å; R381-D414 IonicContact NE-OD2 3.5Å; R381-D414 PolarHBondContact NE-OD2 2.99Å; R381-D414 VanDerWaalsContact NH2-CG 3.34Å; R381-D414 IonicContact NH2-OD1 2.71Å; R381-D414 PolarHBondContact NH2-OD1 2.79Å; R381-D414 IonicContact NH2-OD2 2.71Å; R381-D414 PolarHBondContact NH2-OD2 2.96Å; L411-D414 VanDerWaalsContact O-CB 3.29Å; L411-D414 WeakPolarHBondContact O-CB 3.43Å; L411-D414 PolarHBondContact O-N 3.45Å; D414-K416 PolarHBondContact O-N 3.49Å; D414-K416 VanDerWaalsContact O-N 3.16Å; D414-K416 WeakPolarHBondContact OD1-CB 3.46Å; D414-K416 PolarHBondContact OD1-N 3.47Å; D414-V419 HydrophobicContact CB-CB 3.89Å; D414-V419 HydrophobicContact CB-CG1 3.79Å; D414-R420 HydrophobicContact CB-CG 4.21Å; D414-R420 VanDerWaalsContact O-CD 3.26Å; D414-R420 WeakPolarHBondContact O-CD 3.48Å; D414-R420 VanDerWaalsContact O-CG 3.31Å; D414-R420 WeakPolarHBondContact O-CG 3.48Å; D414-R420 PolarHBondContact O-NH1 3.03Å
415	A	88.3	Confident	87.4	Confident	93 Å²	93	53 Å²	53	77%	0.769	27%	0.266	S	S	*	.	S	Bend	trans	-56.9	-32.9	178.1	0	0	0	0	0	112.7	R420	A415-R420 PolarHBondContact O-NH1 3.46Å
416	K	89.9	Confident	87.7	Confident	124 Å²	124	52.7 Å²	52.7	54%	0.539	26%	0.263	S	S	.	.	S	Bend	trans	-88	114.8	179.6	-63.3	-69.3	-175.3	166.1	0	110.4	P378 D414 R418 V419 R420	P378-K416 HydrophobicContact CB-CB 4.28Å; P378-K416 HydrophobicContact CB-CG 4.04Å; P378-K416 HydrophobicContact CG-CB 4.42Å; P378-K416 HydrophobicContact CG-CD 4.45Å; P378-K416 HydrophobicContact CG-CG 3.65Å; D414-K416 PolarHBondContact O-N 3.49Å; D414-K416 VanDerWaalsContact O-N 3.16Å; D414-K416 WeakPolarHBondContact OD1-CB 3.46Å; D414-K416 PolarHBondContact OD1-N 3.47Å; K416-R418 PolarHBondContact O-N 3.43Å; K416-R418 VanDerWaalsContact O-N 3.12Å; K416-V419 HydrophobicContact CB-CG2 4.2Å; K416-V419 WeakPolarHBondContact O-CB 3.38Å; K416-V419 PolarHBondContact O-N 3.21Å; K416-R420 PolarHBondContact O-N 3.37Å
417	W	92.4	Very high	87.9	Confident	90 Å²	90	48.9 Å²	48.9	34%	0.341	24%	0.238	S	C	.	.	H	α-helix	trans	-57.5	-31.8	-178.1	74.6	-94.8	0	0	0	113.6	V419 R420 L421 V455 A457 I458	W417-V419 VanDerWaalsContact C-N 3.28Å; W417-V419 PolarHBondContact O-N 3.27Å; W417-R420 PolarHBondContact O-N 3.38Å; W417-R420 VanDerWaalsContact O-N 3.17Å; W417-L421 HydrophobicContact CE3-CB 4.3Å; W417-L421 HydrophobicContact CE3-CD2 4.42Å; W417-L421 HydrophobicContact CZ3-CB 4.41Å; W417-L421 HydrophobicContact CZ3-CD2 3.72Å; W417-L421 WeakPolarHBondContact O-CB 3.18Å; W417-L421 PolarHBondContact O-N 3.11Å; W417-V455 HydrophobicContact CB-CB 4.38Å; W417-V455 HydrophobicContact CB-CG1 4.32Å; W417-V455 HydrophobicContact CB-CG2 3.91Å; W417-V455 HydrophobicContact CD2-CG1 4.34Å; W417-V455 HydrophobicContact CG-CG1 4.23Å; W417-V455 HydrophobicContact CG-CG2 4.33Å; W417-A457 HydrophobicContact CZ3-CB 4.15Å; W417-I458 HydrophobicContact CB-CD1 4.26Å; W417-I458 HydrophobicContact CB-CG1 4.07Å; W417-I458 HydrophobicContact CE3-CD1 4.21Å; W417-I458 WeakPolarHBondContact O-CD1 3.21Å
418	R	90.2	Very high	88	Confident	168 Å²	168	49.6 Å²	49.6	63%	0.634	24%	0.242	S	C	*	.	H	α-helix	trans	-62.5	-33.2	176.8	-68.6	-169.7	-179.8	111.7	-0.9	113.4	K416 A422	K416-R418 PolarHBondContact O-N 3.43Å; K416-R418 VanDerWaalsContact O-N 3.12Å; R418-A422 PolarHBondContact O-N 3.39Å
419	V	88.6	Confident	88.1	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.006	25%	0.254	C	S	.	.	H	α-helix	trans	-68.9	-46.7	174.2	178.8	0	0	0	0	109.4	P378 I385 L411 D414 K416 W417 L421 A422 I423	P378-V419 HydrophobicContact CB-CG2 3.84Å; I385-V419 HydrophobicContact CD1-CG1 4Å; L411-V419 HydrophobicContact CB-CG1 4.22Å; L411-V419 HydrophobicContact CD2-CG1 4.08Å; D414-V419 HydrophobicContact CB-CB 3.89Å; D414-V419 HydrophobicContact CB-CG1 3.79Å; K416-V419 HydrophobicContact CB-CG2 4.2Å; K416-V419 WeakPolarHBondContact O-CB 3.38Å; K416-V419 PolarHBondContact O-N 3.21Å; W417-V419 VanDerWaalsContact C-N 3.28Å; W417-V419 PolarHBondContact O-N 3.27Å; V419-L421 VanDerWaalsContact C-N 3.29Å; V419-L421 PolarHBondContact O-N 2.99Å; V419-A422 PolarHBondContact O-N 3.43Å; V419-I423 WeakPolarHBondContact O-CG1 3.19Å; V419-I423 PolarHBondContact O-N 3.27Å; V419-I423 VanDerWaalsContact O-N 3.15Å
420	R	93	Very high	87.9	Confident	8 Å²	8	50 Å²	50	3%	0.03	24%	0.242	C	C	.	.	H	α-helix	trans	-57.6	-42.1	174.9	-56.8	-161	-59.5	-80.5	5	111.9	A412 D414 A415 K416 W417 A422 I423 I424 D453 H454 I458	A412-R420 WeakPolarHBondContact O-CD 3.43Å; D414-R420 HydrophobicContact CB-CG 4.21Å; D414-R420 VanDerWaalsContact O-CD 3.26Å; D414-R420 WeakPolarHBondContact O-CD 3.48Å; D414-R420 VanDerWaalsContact O-CG 3.31Å; D414-R420 WeakPolarHBondContact O-CG 3.48Å; D414-R420 PolarHBondContact O-NH1 3.03Å; A415-R420 PolarHBondContact O-NH1 3.46Å; K416-R420 PolarHBondContact O-N 3.37Å; W417-R420 PolarHBondContact O-N 3.38Å; W417-R420 VanDerWaalsContact O-N 3.17Å; R420-A422 PolarHBondContact O-N 2.94Å; R420-I423 PolarHBondContact O-N 3.06Å; R420-I424 WeakPolarHBondContact O-CD1 3.44Å; R420-I424 VanDerWaalsContact O-CG1 3.24Å; R420-I424 WeakPolarHBondContact O-CG1 3.43Å; R420-I424 PolarHBondContact O-N 2.83Å; R420-D453 IonicContact CZ-OD1 3.44Å; R420-D453 IonicContact CZ-OD2 2.78Å; R420-D453 VanDerWaalsContact CZ-OD2 3.23Å; R420-D453 IonicContact NE-OD2 3.92Å; R420-D453 PolarHBondContact NE-OD2 2.9Å; R420-D453 VanDerWaalsContact NH2-CG 3.31Å; R420-D453 IonicContact NH2-OD1 3.84Å; R420-D453 PolarHBondContact NH2-OD1 3.11Å; R420-D453 IonicContact NH2-OD2 3.97Å; R420-D453 PolarHBondContact NH2-OD2 3.3Å; R420-H454 PolarHBondContact NH2-CE1 3.17Å; R420-I458 HydrophobicContact CB-CD1 3.93Å
421	L	91.3	Very high	87.8	Confident	37 Å²	37	44 Å²	44	19%	0.194	22%	0.215	C	C	.	.	H	α-helix	trans	-59.2	-46.7	177.8	178.8	62.1	0	0	0	111.6	W417 V419 I423 I424 E425 I458 A461	W417-L421 HydrophobicContact CE3-CB 4.3Å; W417-L421 HydrophobicContact CE3-CD2 4.42Å; W417-L421 HydrophobicContact CZ3-CB 4.41Å; W417-L421 HydrophobicContact CZ3-CD2 3.72Å; W417-L421 WeakPolarHBondContact O-CB 3.18Å; W417-L421 PolarHBondContact O-N 3.11Å; V419-L421 VanDerWaalsContact C-N 3.29Å; V419-L421 PolarHBondContact O-N 2.99Å; L421-I423 VanDerWaalsContact C-N 3.31Å; L421-I423 PolarHBondContact O-N 3.38Å; L421-I424 WeakPolarHBondContact O-CB 3.4Å; L421-I424 PolarHBondContact O-N 3.22Å; L421-I424 VanDerWaalsContact O-N 3.1Å; L421-E425 HydrophobicContact CD1-CG 4.4Å; L421-E425 WeakPolarHBondContact O-CG 3.49Å; L421-E425 PolarHBondContact O-N 3.24Å; L421-I458 HydrophobicContact CB-CD1 3.84Å; L421-A461 HydrophobicContact CD1-CB 3.31Å
422	A	87.1	Confident	87.5	Confident	10 Å²	10	45.1 Å²	45.1	8%	0.083	23%	0.228	C	C	.	.	H	α-helix	trans	-62.5	-38.5	178.3	0	0	0	0	0	112.5	L382 I385 R418 V419 R420 I424 E425 Y426	L382-A422 HydrophobicContact CD1-CB 3.22Å; I385-A422 HydrophobicContact CG2-CB 4.18Å; R418-A422 PolarHBondContact O-N 3.39Å; V419-A422 PolarHBondContact O-N 3.43Å; R420-A422 PolarHBondContact O-N 2.94Å; A422-I424 VanDerWaalsContact C-N 3.33Å; A422-I424 PolarHBondContact O-N 3.34Å; A422-E425 PolarHBondContact O-N 3.04Å; A422-Y426 WeakPolarHBondContact O-CB 3.45Å; A422-Y426 PolarHBondContact O-N 3.36Å
423	I	89.5	Confident	86.9	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-63.3	-40.6	173.6	-61.5	-68.8	0	0	0	111.1	I385 I408 L411 A412 V419 R420 L421 E425 Y426 M427 W450	I385-I423 HydrophobicContact CB-CD1 4.46Å; I385-I423 HydrophobicContact CD1-CD1 3.46Å; I385-I423 VanDerWaalsContact CD1-CD1 3.46Å; I385-I423 HydrophobicContact CD1-CG1 3.93Å; I385-I423 HydrophobicContact CG1-CD1 3.74Å; I385-I423 HydrophobicContact CG2-CD1 3.84Å; I408-I423 HydrophobicContact CG2-CD1 4.27Å; I408-I423 HydrophobicContact CG2-CG2 4.33Å; L411-I423 HydrophobicContact CB-CD1 3.9Å; L411-I423 HydrophobicContact CB-CG1 3.97Å; A412-I423 HydrophobicContact CB-CG2 4.12Å; V419-I423 WeakPolarHBondContact O-CG1 3.19Å; V419-I423 PolarHBondContact O-N 3.27Å; V419-I423 VanDerWaalsContact O-N 3.15Å; R420-I423 PolarHBondContact O-N 3.06Å; L421-I423 VanDerWaalsContact C-N 3.31Å; L421-I423 PolarHBondContact O-N 3.38Å; I423-E425 VanDerWaalsContact C-N 3.35Å; I423-Y426 PolarHBondContact O-N 3.12Å; I423-M427 HydrophobicContact CG2-CE 4.4Å; I423-M427 WeakPolarHBondContact O-CB 3.49Å; I423-M427 PolarHBondContact O-N 3.36Å; I423-W450 HydrophobicContact CG2-CH2 3.95Å; I423-W450 HydrophobicContact CG2-CZ2 3.79Å
424	I	91.7	Very high	86.3	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-63.1	-41.8	176.8	-68.1	162.2	0	0	0	111.2	R420 L421 A422 Y426 M427 W450 I458 A461 N465	R420-I424 WeakPolarHBondContact O-CD1 3.44Å; R420-I424 VanDerWaalsContact O-CG1 3.24Å; R420-I424 WeakPolarHBondContact O-CG1 3.43Å; R420-I424 PolarHBondContact O-N 2.83Å; L421-I424 WeakPolarHBondContact O-CB 3.4Å; L421-I424 PolarHBondContact O-N 3.22Å; L421-I424 VanDerWaalsContact O-N 3.1Å; A422-I424 VanDerWaalsContact C-N 3.33Å; A422-I424 PolarHBondContact O-N 3.34Å; I424-Y426 VanDerWaalsContact C-N 3.32Å; I424-Y426 PolarHBondContact O-N 3.4Å; I424-M427 PolarHBondContact O-N 2.68Å; I424-W450 HydrophobicContact CB-CE3 4.47Å; I424-W450 HydrophobicContact CB-CH2 4.44Å; I424-W450 HydrophobicContact CB-CZ3 4.27Å; I424-W450 HydrophobicContact CD1-CB 4.22Å; I424-W450 HydrophobicContact CD1-CD2 3.9Å; I424-W450 HydrophobicContact CD1-CE3 4.21Å; I424-W450 HydrophobicContact CD1-CG 3.93Å; I424-W450 HydrophobicContact CG1-CD2 3.51Å; I424-W450 HydrophobicContact CG1-CE3 3.48Å; I424-W450 VanDerWaalsContact CG1-CE3 3.48Å; I424-W450 HydrophobicContact CG1-CG 4.1Å; I424-W450 HydrophobicContact CG1-CH2 3.71Å; I424-W450 HydrophobicContact CG1-CZ2 3.81Å; I424-W450 HydrophobicContact CG1-CZ3 3.59Å; I424-I458 HydrophobicContact CD1-CB 4.46Å; I424-I458 HydrophobicContact CD1-CD1 3.95Å; I424-I458 HydrophobicContact CD1-CG2 3.57Å; I424-A461 HydrophobicContact CG2-CB 3.82Å; I424-N465 HydrophobicContact CG2-CB 3.85Å; I424-N465 PolarHBondContact O-ND2 3.16Å
425	E	88.2	Confident	85.9	Confident	126 Å²	126	43.9 Å²	43.9	59%	0.589	23%	0.229	S	C	*	.	H	α-helix	trans	-67	-34.7	178	-71.1	179.4	165.3	0	0	112.1	L421 A422 I423 P428	L421-E425 HydrophobicContact CD1-CG 4.4Å; L421-E425 WeakPolarHBondContact O-CG 3.49Å; L421-E425 PolarHBondContact O-N 3.24Å; A422-E425 PolarHBondContact O-N 3.04Å; I423-E425 VanDerWaalsContact C-N 3.35Å; E425-P428 VanDerWaalsContact O-CD 3.26Å; E425-P428 WeakPolarHBondContact O-CD 3.34Å
426	Y	83.7	Confident	85.8	Confident	18 Å²	18	42 Å²	42	7%	0.071	21%	0.208	C	C	.	.	H	α-helix	trans	-78	-23.9	177.6	-171.9	-110.2	0	0	0	113.9	L388 A422 I423 I424 L429 L430	L388-Y426 HydrophobicContact CB-CE1 4.14Å; L388-Y426 HydrophobicContact CB-CE2 3.75Å; L388-Y426 WeakPolarHBondContact CB-OH 3.35Å; L388-Y426 HydrophobicContact CD1-CD1 4Å; L388-Y426 HydrophobicContact CD1-CE1 3.63Å; A422-Y426 WeakPolarHBondContact O-CB 3.45Å; A422-Y426 PolarHBondContact O-N 3.36Å; I423-Y426 PolarHBondContact O-N 3.12Å; I424-Y426 VanDerWaalsContact C-N 3.32Å; I424-Y426 PolarHBondContact O-N 3.4Å; Y426-L429 HydrophobicContact CE2-CD2 3.66Å; Y426-L429 WeakPolarHBondContact O-CB 3.34Å; Y426-L429 PolarHBondContact O-N 3.41Å; Y426-L429 VanDerWaalsContact O-N 3.14Å; Y426-L430 HydrophobicContact CD1-CB 4.21Å; Y426-L430 HydrophobicContact CD1-CD1 4.23Å; Y426-L430 HydrophobicContact CE1-CB 3.98Å; Y426-L430 HydrophobicContact CE1-CD1 3.73Å; Y426-L430 HydrophobicContact CE1-CG 4.47Å; Y426-L430 PolarHBondContact O-N 2.86Å
427	M	87.6	Confident	85.5	Confident	3 Å²	3	43.8 Å²	43.8	2%	0.015	22%	0.218	C	C	.	.	H	α-helix	trans	-54.9	-39	-173.3	-174.4	62.5	71	0	0	115.5	I423 I424 L429 L430 A431 F439 L443 W450	I423-M427 HydrophobicContact CG2-CE 4.4Å; I423-M427 WeakPolarHBondContact O-CB 3.49Å; I423-M427 PolarHBondContact O-N 3.36Å; I424-M427 PolarHBondContact O-N 2.68Å; M427-L429 VanDerWaalsContact C-N 3.31Å; M427-L429 PolarHBondContact O-N 3.37Å; M427-L430 PolarHBondContact O-N 3.37Å; M427-L430 HydrophobicContact SD-CD2 4.02Å; M427-A431 VanDerWaalsContact O-CB 3.23Å; M427-A431 WeakPolarHBondContact O-CB 3.24Å; M427-A431 PolarHBondContact O-N 3.21Å; M427-F439 HydrophobicContact CG-CE2 4.4Å; M427-F439 HydrophobicContact SD-CE2 4.28Å; M427-L443 HydrophobicContact CE-CD2 4.23Å; M427-L443 HydrophobicContact SD-CB 4.24Å; M427-L443 HydrophobicContact SD-CD1 3.99Å; M427-L443 HydrophobicContact SD-CD2 4.41Å; M427-L443 HydrophobicContact SD-CG 4.45Å; M427-W450 HydrophobicContact CB-CH2 4.21Å; M427-W450 HydrophobicContact CB-CZ3 4.21Å; M427-W450 HydrophobicContact CE-CH2 3.3Å; M427-W450 HydrophobicContact CE-CZ2 4.16Å; M427-W450 HydrophobicContact CE-CZ3 3.96Å; M427-W450 HydrophobicContact CG-CH2 4.23Å; M427-W450 HydrophobicContact CG-CZ3 4.07Å
428	P	86.7	Confident	85	Confident	16 Å²	16	42 Å²	42	10%	0.104	21%	0.213	C	C	.	.	H	α-helix	trans	-65.4	-35.2	179.5	-18.9	33.3	0	0	0	112.9	E425 G432 N465 K468 K472	E425-P428 VanDerWaalsContact O-CD 3.26Å; E425-P428 WeakPolarHBondContact O-CD 3.34Å; P428-G432 PolarHBondContact O-N 2.68Å; P428-N465 WeakPolarHBondContact CD-ND2 3.13Å; P428-N465 WeakPolarHBondContact CG-ND2 3.27Å; P428-K468 HydrophobicContact CB-CB 3.95Å; P428-K468 HydrophobicContact CB-CD 4.48Å; P428-K468 HydrophobicContact CG-CB 3.89Å; P428-K468 HydrophobicContact CG-CD 3.86Å; P428-K472 WeakPolarHBondContact O-CD 3.37Å; P428-K472 PolarHBondContact O-NZ 3.24Å
429	L	80.8	Confident	84.8	Confident	53 Å²	53	34 Å²	34	28%	0.277	18%	0.183	S	C	.	.	H	α-helix	trans	-64.8	-52.6	177	-173.5	139.4	0	0	0	109.4	D389 Y426 M427 A431 Q433 K472	D389-L429 WeakPolarHBondContact OD1-CD1 3.46Å; D389-L429 WeakPolarHBondContact OD1-CD2 3.45Å; Y426-L429 HydrophobicContact CE2-CD2 3.66Å; Y426-L429 WeakPolarHBondContact O-CB 3.34Å; Y426-L429 PolarHBondContact O-N 3.41Å; Y426-L429 VanDerWaalsContact O-N 3.14Å; M427-L429 VanDerWaalsContact C-N 3.31Å; M427-L429 PolarHBondContact O-N 3.37Å; L429-A431 PolarHBondContact O-N 3.2Å; L429-Q433 WeakPolarHBondContact O-CG 3.38Å; L429-Q433 PolarHBondContact O-N 3.45Å; L429-K472 PolarHBondContact O-NZ 2.91Å
430	L	79.3	Confident	84.6	Confident	5 Å²	5	36.4 Å²	36.4	3%	0.026	20%	0.196	C	C	.	.	H	α-helix	trans	-58.5	-46	178.1	-174	134.7	0	0	0	112.1	I408 Y426 M427 G432 Q433 L434 L443	I408-L430 HydrophobicContact CD1-CD1 3.71Å; I408-L430 HydrophobicContact CG2-CD1 4.5Å; Y426-L430 HydrophobicContact CD1-CB 4.21Å; Y426-L430 HydrophobicContact CD1-CD1 4.23Å; Y426-L430 HydrophobicContact CE1-CB 3.98Å; Y426-L430 HydrophobicContact CE1-CD1 3.73Å; Y426-L430 HydrophobicContact CE1-CG 4.47Å; Y426-L430 PolarHBondContact O-N 2.86Å; M427-L430 PolarHBondContact O-N 3.37Å; M427-L430 HydrophobicContact SD-CD2 4.02Å; L430-G432 PolarHBondContact O-N 3.34Å; L430-Q433 PolarHBondContact O-N 3.42Å; L430-L434 HydrophobicContact CD1-CD1 4.35Å; L430-L434 HydrophobicContact CD2-CD1 3.36Å; L430-L434 HydrophobicContact CG-CD1 3.55Å; L430-L434 HydrophobicContact CG-CG 4.42Å; L430-L434 WeakPolarHBondContact O-CB 3.15Å; L430-L434 VanDerWaalsContact O-CG 3.29Å; L430-L434 WeakPolarHBondContact O-CG 3.41Å; L430-L434 PolarHBondContact O-N 2.75Å; L430-L443 HydrophobicContact CD2-CD1 3.2Å; L430-L443 HydrophobicContact CD2-CD2 4.31Å; L430-L443 HydrophobicContact CD2-CG 4.37Å
431	A	83.2	Confident	84.1	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-57.2	-54.5	-178.9	0	0	0	0	0	112.1	M427 L429 Q433 L434 G435 F439 L469 F473	M427-A431 VanDerWaalsContact O-CB 3.23Å; M427-A431 WeakPolarHBondContact O-CB 3.24Å; M427-A431 PolarHBondContact O-N 3.21Å; L429-A431 PolarHBondContact O-N 3.2Å; A431-Q433 VanDerWaalsContact C-N 3.27Å; A431-Q433 PolarHBondContact O-N 2.82Å; A431-L434 PolarHBondContact O-N 3Å; A431-G435 PolarHBondContact O-N 3.13Å; A431-F439 HydrophobicContact CB-CD2 3.57Å; A431-F439 HydrophobicContact CB-CE2 4.05Å; A431-F439 HydrophobicContact CB-CG 4.39Å; A431-L469 HydrophobicContact CB-CD2 3.37Å; A431-F473 HydrophobicContact CB-CE2 3.92Å; A431-F473 HydrophobicContact CB-CZ 3.76Å; A431-F473 WeakPolarHBondContact O-CZ 3.17Å
432	G	79	Confident	83.6	Confident	31 Å²	31	46.8 Å²	46.8	32%	0.32	24%	0.242	S	C	.	.	H	α-helix	trans	-82.1	-0.4	-176.6	0	0	0	0	0	116	P428 L430 K472	P428-G432 PolarHBondContact O-N 2.68Å; L430-G432 PolarHBondContact O-N 3.34Å; G432-K472 VanDerWaalsContact CA-NZ 3.35Å
433	Q	75.2	Confident	83.5	Confident	77 Å²	77	46.3 Å²	46.3	36%	0.36	24%	0.238	S	C	.	.	H	α-helix	trans	-91.5	-34	165.9	-69.7	176.1	-14.8	0	0	112.2	N392 I397 L429 L430 A431 G435	N392-Q433 PolarHBondContact ND2-NE2 3.43Å; N392-Q433 PolarHBondContact ND2-OE1 3.08Å; I397-Q433 HydrophobicContact CB-CB 4.23Å; I397-Q433 HydrophobicContact CD1-CB 4.21Å; I397-Q433 HydrophobicContact CG1-CB 3.8Å; I397-Q433 HydrophobicContact CG2-CB 4.39Å; L429-Q433 WeakPolarHBondContact O-CG 3.38Å; L429-Q433 PolarHBondContact O-N 3.45Å; L430-Q433 PolarHBondContact O-N 3.42Å; A431-Q433 VanDerWaalsContact C-N 3.27Å; A431-Q433 PolarHBondContact O-N 2.82Å; Q433-G435 VanDerWaalsContact C-N 3.34Å
434	L	77.4	Confident	83.5	Confident	31 Å²	31	46.6 Å²	46.6	16%	0.162	24%	0.24	C	C	.	.	H	α-helix	trans	-78	-23	175.5	-65.6	171.9	0	0	0	112.8	I397 S401 L430 A431 F438 L443	I397-L434 HydrophobicContact CD1-CD2 4.09Å; I397-L434 HydrophobicContact CD1-CG 4.28Å; I397-L434 HydrophobicContact CG1-CD2 3.46Å; I397-L434 VanDerWaalsContact CG1-CD2 3.46Å; I397-L434 HydrophobicContact CG1-CG 3.89Å; S401-L434 VanDerWaalsContact CB-CD2 3.4Å; L430-L434 HydrophobicContact CD1-CD1 4.35Å; L430-L434 HydrophobicContact CD2-CD1 3.36Å; L430-L434 HydrophobicContact CG-CD1 3.55Å; L430-L434 HydrophobicContact CG-CG 4.42Å; L430-L434 WeakPolarHBondContact O-CB 3.15Å; L430-L434 VanDerWaalsContact O-CG 3.29Å; L430-L434 WeakPolarHBondContact O-CG 3.41Å; L430-L434 PolarHBondContact O-N 2.75Å; A431-L434 PolarHBondContact O-N 3Å; L434-F438 HydrophobicContact CB-CB 4.13Å; L434-F438 HydrophobicContact CB-CD1 3.78Å; L434-F438 HydrophobicContact CB-CE1 4.49Å; L434-F438 HydrophobicContact CB-CG 4.08Å; L434-F438 HydrophobicContact CD1-CD1 3.61Å; L434-F438 HydrophobicContact CD1-CE1 3.52Å; L434-F438 HydrophobicContact CD1-CZ 4.35Å; L434-F438 HydrophobicContact CD2-CD1 4.47Å; L434-F438 HydrophobicContact CD2-CE1 4.5Å; L434-F438 HydrophobicContact CG-CD1 4.17Å; L434-F438 HydrophobicContact CG-CE1 4.4Å; L434-L443 HydrophobicContact CD1-CD1 4.16Å
435	G	81.9	Confident	83.4	Confident	27 Å²	27	51.5 Å²	51.5	28%	0.278	27%	0.27	S	S	.	.			trans	88	165.1	-178.6	0	0	0	0	0	112.7	A431 Q433 F439	A431-G435 PolarHBondContact O-N 3.13Å; Q433-G435 VanDerWaalsContact C-N 3.34Å; G435-F439 PolarHBondContact O-N 3.38Å
436	V	85.9	Confident	83.5	Confident	55 Å²	55	46.1 Å²	46.1	33%	0.333	25%	0.245	S	C	.	.	H	α-helix	trans	-65.4	-41.3	-171.3	68.1	0	0	0	0	112.9	F438 F439 D440 F473 W477	V436-F438 VanDerWaalsContact C-N 3.35Å; V436-F438 PolarHBondContact O-N 3.17Å; V436-F439 PolarHBondContact O-N 2.71Å; V436-D440 WeakPolarHBondContact O-CB 3.49Å; V436-D440 PolarHBondContact O-N 3.19Å; V436-F473 HydrophobicContact CB-CD1 3.99Å; V436-F473 HydrophobicContact CB-CE1 4.02Å; V436-F473 HydrophobicContact CB-CG 4.43Å; V436-F473 HydrophobicContact CB-CZ 4.45Å; V436-F473 HydrophobicContact CG2-CD1 4.27Å; V436-F473 HydrophobicContact CG2-CD2 4.45Å; V436-F473 HydrophobicContact CG2-CG 4.19Å; V436-W477 HydrophobicContact CG2-CG 4.06Å; V436-W477 VanDerWaalsContact CG2-NE1 3.28Å
437	E	83	Confident	83.9	Confident	160 Å²	160	45.4 Å²	45.4	75%	0.748	24%	0.242	S	C	*	.	H	α-helix	trans	-60	-46.2	-178.5	-63.7	179.5	174.2	0	0	111.4	D440 E441	E437-D440 PolarHBondContact O-N 3.2Å; E437-E441 PolarHBondContact O-N 3.4Å; E437-E441 VanDerWaalsContact O-N 3.14Å
438	F	81.8	Confident	84.2	Confident	52 Å²	52	46.4 Å²	46.4	23%	0.228	25%	0.248	C	C	.	.	H	α-helix	trans	-66.4	-41.8	178.7	-173.7	-83.4	0	0	0	112	L405 L434 V436 D440 E441 K442 L443	L405-F438 HydrophobicContact CD1-CE1 3.68Å; L405-F438 HydrophobicContact CD1-CZ 3.82Å; L405-F438 HydrophobicContact CD2-CE1 4.09Å; L405-F438 HydrophobicContact CD2-CE2 4.44Å; L405-F438 HydrophobicContact CD2-CZ 3.45Å; L405-F438 VanDerWaalsContact CD2-CZ 3.45Å; L405-F438 HydrophobicContact CG-CZ 4.2Å; L434-F438 HydrophobicContact CB-CB 4.13Å; L434-F438 HydrophobicContact CB-CD1 3.78Å; L434-F438 HydrophobicContact CB-CE1 4.49Å; L434-F438 HydrophobicContact CB-CG 4.08Å; L434-F438 HydrophobicContact CD1-CD1 3.61Å; L434-F438 HydrophobicContact CD1-CE1 3.52Å; L434-F438 HydrophobicContact CD1-CZ 4.35Å; L434-F438 HydrophobicContact CD2-CD1 4.47Å; L434-F438 HydrophobicContact CD2-CE1 4.5Å; L434-F438 HydrophobicContact CG-CD1 4.17Å; L434-F438 HydrophobicContact CG-CE1 4.4Å; V436-F438 VanDerWaalsContact C-N 3.35Å; V436-F438 PolarHBondContact O-N 3.17Å; F438-D440 VanDerWaalsContact C-N 3.31Å; F438-D440 PolarHBondContact O-N 3.34Å; F438-E441 PolarHBondContact O-N 2.99Å; F438-K442 HydrophobicContact CD1-CB 4.41Å; F438-K442 HydrophobicContact CE1-CB 3.99Å; F438-K442 HydrophobicContact CE1-CG 4.27Å; F438-K442 HydrophobicContact CE2-CG 4.24Å; F438-K442 HydrophobicContact CZ-CB 4.27Å; F438-K442 HydrophobicContact CZ-CG 4.1Å; F438-K442 PolarHBondContact O-N 2.92Å; F438-L443 HydrophobicContact CD1-CD1 4.21Å; F438-L443 HydrophobicContact CE1-CD1 4.18Å; F438-L443 HydrophobicContact CE1-CG 4.35Å
439	F	85.8	Confident	84.5	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.2	-47.1	176.8	179.1	-88.5	0	0	0	110.8	M427 A431 G435 V436 E441 K442 L443 N444 C447 L469 F473 W477	M427-F439 HydrophobicContact CG-CE2 4.4Å; M427-F439 HydrophobicContact SD-CE2 4.28Å; A431-F439 HydrophobicContact CB-CD2 3.57Å; A431-F439 HydrophobicContact CB-CE2 4.05Å; A431-F439 HydrophobicContact CB-CG 4.39Å; G435-F439 PolarHBondContact O-N 3.38Å; V436-F439 PolarHBondContact O-N 2.71Å; F439-E441 VanDerWaalsContact C-N 3.33Å; F439-E441 PolarHBondContact O-N 3.43Å; F439-K442 PolarHBondContact O-N 3.21Å; F439-L443 HydrophobicContact CD2-CB 3.69Å; F439-L443 HydrophobicContact CD2-CD1 3.99Å; F439-L443 HydrophobicContact CE2-CB 3.93Å; F439-L443 HydrophobicContact CG-CB 4.29Å; F439-L443 PolarHBondContact O-N 2.9Å; F439-N444 HydrophobicContact CD1-CB 4.21Å; F439-N444 HydrophobicContact CE1-CB 3.89Å; F439-N444 WeakPolarHBondContact O-CB 3.49Å; F439-N444 PolarHBondContact O-N 3.44Å; F439-C447 HydrophobicContact CZ-CB 4.24Å; F439-C447 VanDerWaalsContact CZ-SG 3.56Å; F439-L469 HydrophobicContact CE1-CD1 4.41Å; F439-L469 HydrophobicContact CE2-CD1 3.85Å; F439-L469 HydrophobicContact CE2-CD2 4.01Å; F439-L469 HydrophobicContact CZ-CD1 3.51Å; F439-L469 HydrophobicContact CZ-CD2 4.36Å; F439-F473 HydrophobicContact CB-CE2 4.08Å; F439-F473 HydrophobicContact CB-CZ 4.1Å; F439-F473 HydrophobicContact CD1-CE2 4.09Å; F439-F473 HydrophobicContact CD2-CE2 4.28Å; F439-F473 AromaticContact CG-CE2 3.87Å; F439-F473 HydrophobicContact CG-CE2 3.87Å; F439-F473 HydrophobicContact CG-CZ 4.34Å; F439-W477 HydrophobicContact CD1-CH2 4.38Å; F439-W477 AromaticContact CD1-CZ2 3.72Å; F439-W477 HydrophobicContact CD1-CZ2 3.72Å; F439-W477 AromaticContact CE1-CH2 3.93Å; F439-W477 HydrophobicContact CE1-CH2 3.93Å; F439-W477 AromaticContact CE1-CZ2 3.61Å; F439-W477 HydrophobicContact CE1-CZ2 3.61Å
440	D	84.5	Confident	85.2	Confident	53 Å²	53	45.5 Å²	45.5	28%	0.283	25%	0.247	S	C	.	.	H	α-helix	trans	-63.1	-38.8	-178	-73.4	-14.6	0	0	0	112.2	V436 E437 F438 W477 T481	V436-D440 WeakPolarHBondContact O-CB 3.49Å; V436-D440 PolarHBondContact O-N 3.19Å; E437-D440 PolarHBondContact O-N 3.2Å; F438-D440 VanDerWaalsContact C-N 3.31Å; F438-D440 PolarHBondContact O-N 3.34Å; D440-W477 PolarHBondContact OD1-NE1 2.86Å; D440-W477 PolarHBondContact OD2-NE1 2.82Å; D440-T481 WeakPolarHBondContact OD1-CG2 3.33Å
441	E	83.3	Confident	86	Confident	146 Å²	146	45.2 Å²	45.2	68%	0.682	25%	0.246	S	C	*	.	H	α-helix	trans	-76.2	-36.9	179.6	-73.4	-171.7	177	0	0	114.5	E437 F438 F439	E437-E441 PolarHBondContact O-N 3.4Å; E437-E441 VanDerWaalsContact O-N 3.14Å; F438-E441 PolarHBondContact O-N 2.99Å; F439-E441 VanDerWaalsContact C-N 3.33Å; F439-E441 PolarHBondContact O-N 3.43Å
442	K	79.6	Confident	86.6	Confident	116 Å²	116	48.9 Å²	48.9	50%	0.504	27%	0.265	S	S	.	.	H	α-helix	trans	-118.8	-28.5	-165.5	-61.2	-59.8	179.9	-171.2	0	115.5	F438 F439	F438-K442 HydrophobicContact CD1-CB 4.41Å; F438-K442 HydrophobicContact CE1-CB 3.99Å; F438-K442 HydrophobicContact CE1-CG 4.27Å; F438-K442 HydrophobicContact CE2-CG 4.24Å; F438-K442 HydrophobicContact CZ-CB 4.27Å; F438-K442 HydrophobicContact CZ-CG 4.1Å; F438-K442 PolarHBondContact O-N 2.92Å; F439-K442 PolarHBondContact O-N 3.21Å
443	L	86	Confident	87.4	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.2	-25.6	-166.6	-60.3	173.8	0	0	0	113.6	L405 M427 L430 L434 F438 F439 T445 L446 C447	L405-L443 HydrophobicContact CD1-CD2 3.96Å; M427-L443 HydrophobicContact CE-CD2 4.23Å; M427-L443 HydrophobicContact SD-CB 4.24Å; M427-L443 HydrophobicContact SD-CD1 3.99Å; M427-L443 HydrophobicContact SD-CD2 4.41Å; M427-L443 HydrophobicContact SD-CG 4.45Å; L430-L443 HydrophobicContact CD2-CD1 3.2Å; L430-L443 HydrophobicContact CD2-CD2 4.31Å; L430-L443 HydrophobicContact CD2-CG 4.37Å; L434-L443 HydrophobicContact CD1-CD1 4.16Å; F438-L443 HydrophobicContact CD1-CD1 4.21Å; F438-L443 HydrophobicContact CE1-CD1 4.18Å; F438-L443 HydrophobicContact CE1-CG 4.35Å; F439-L443 HydrophobicContact CD2-CB 3.69Å; F439-L443 HydrophobicContact CD2-CD1 3.99Å; F439-L443 HydrophobicContact CE2-CB 3.93Å; F439-L443 HydrophobicContact CG-CB 4.29Å; F439-L443 PolarHBondContact O-N 2.9Å; L443-T445 VanDerWaalsContact C-N 3.29Å; L443-T445 PolarHBondContact O-N 3.3Å; L443-L446 HydrophobicContact CD2-CD1 4.32Å; L443-L446 WeakPolarHBondContact O-CB 3.19Å; L443-L446 PolarHBondContact O-N 3.31Å; L443-L446 VanDerWaalsContact O-N 3.09Å; L443-C447 PolarHBondContact O-N 3.26Å; L443-C447 VanDerWaalsContact O-N 3.08Å; L443-C447 PolarHBondContact O-SG 3.24Å; L443-C447 VanDerWaalsContact O-SG 3.41Å
444	N	89.2	Confident	88.3	Confident	9 Å²	9	51.6 Å²	51.6	5%	0.048	27%	0.27	C	S	.	.	H	α-helix	trans	-55.7	-44.1	-179.5	-177.9	3.3	0	0	0	111.7	F439 L446 C447 M448 T481 K485	F439-N444 HydrophobicContact CD1-CB 4.21Å; F439-N444 HydrophobicContact CE1-CB 3.89Å; F439-N444 WeakPolarHBondContact O-CB 3.49Å; F439-N444 PolarHBondContact O-N 3.44Å; N444-L446 VanDerWaalsContact C-N 3.3Å; N444-L446 PolarHBondContact O-N 2.73Å; N444-C447 PolarHBondContact O-N 3Å; N444-M448 VanDerWaalsContact O-CG 3.28Å; N444-M448 WeakPolarHBondContact O-CG 3.47Å; N444-M448 PolarHBondContact O-N 3.42Å; N444-M448 VanDerWaalsContact O-N 3.08Å; N444-T481 WeakPolarHBondContact ND2-CG2 3.29Å; N444-K485 PolarHBondContact ND2-NZ 3.07Å; N444-K485 PolarHBondContact OD1-NZ 3.06Å
445	T	89.4	Confident	89.1	Confident	104 Å²	104	51.7 Å²	51.7	64%	0.638	27%	0.271	S	S	*	.	H	α-helix	trans	-58.8	-40.2	177.9	-54.1	0	0	0	0	112.5	L443 M448 A449	L443-T445 VanDerWaalsContact C-N 3.29Å; L443-T445 PolarHBondContact O-N 3.3Å; T445-M448 PolarHBondContact O-N 3.1Å; T445-A449 PolarHBondContact O-N 3.04Å
446	L	91.3	Very high	89.7	Confident	13 Å²	13	55.6 Å²	55.6	7%	0.068	28%	0.278	C	S	.	.	H	α-helix	trans	-67.3	-44.2	177.7	-65	167.4	0	0	0	111.4	V409 A412 E413 L443 N444 M448 A449 W450	V409-L446 HydrophobicContact CB-CD1 4.27Å; V409-L446 HydrophobicContact CG1-CD1 4.04Å; V409-L446 HydrophobicContact CG2-CD1 3.92Å; A412-L446 HydrophobicContact CB-CD1 4.13Å; A412-L446 HydrophobicContact CB-CD2 4.13Å; E413-L446 HydrophobicContact CG-CD2 4.21Å; L443-L446 HydrophobicContact CD2-CD1 4.32Å; L443-L446 WeakPolarHBondContact O-CB 3.19Å; L443-L446 PolarHBondContact O-N 3.31Å; L443-L446 VanDerWaalsContact O-N 3.09Å; N444-L446 VanDerWaalsContact C-N 3.3Å; N444-L446 PolarHBondContact O-N 2.73Å; L446-M448 PolarHBondContact O-N 3.37Å; L446-A449 WeakPolarHBondContact O-CB 3.31Å; L446-A449 PolarHBondContact O-N 3.34Å; L446-W450 PolarHBondContact O-N 2.73Å; L446-W450 VanDerWaalsContact O-N 3.09Å
447	C	92.3	Very high	90.2	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.014	28%	0.275	C	S	.	.	H	α-helix	trans	-58.9	-38.9	178.3	-64.2	0	0	0	0	111.9	F439 L443 N444 W450	F439-C447 HydrophobicContact CZ-CB 4.24Å; F439-C447 VanDerWaalsContact CZ-SG 3.56Å; L443-C447 PolarHBondContact O-N 3.26Å; L443-C447 VanDerWaalsContact O-N 3.08Å; L443-C447 PolarHBondContact O-SG 3.24Å; L443-C447 VanDerWaalsContact O-SG 3.41Å; N444-C447 PolarHBondContact O-N 3Å; C447-W450 HydrophobicContact CB-CE3 4.3Å; C447-W450 HydrophobicContact CB-CZ3 4.44Å
448	M	92.7	Very high	90.9	Very high	25 Å²	25	46.9 Å²	46.9	12%	0.123	24%	0.24	C	C	.	.	H	α-helix	trans	-71.6	-35	175.8	-59.6	-61.1	122.5	0	0	112.5	N444 T445 L446 W450 L451 L466 I482 K485	N444-M448 VanDerWaalsContact O-CG 3.28Å; N444-M448 WeakPolarHBondContact O-CG 3.47Å; N444-M448 PolarHBondContact O-N 3.42Å; N444-M448 VanDerWaalsContact O-N 3.08Å; T445-M448 PolarHBondContact O-N 3.1Å; L446-M448 PolarHBondContact O-N 3.37Å; M448-W450 VanDerWaalsContact C-N 3.3Å; M448-W450 PolarHBondContact O-N 3.48Å; M448-L451 WeakPolarHBondContact O-CB 3.33Å; M448-L451 PolarHBondContact O-N 3.21Å; M448-L451 HydrophobicContact SD-CD1 4.03Å; M448-L466 HydrophobicContact CE-CD2 3.75Å; M448-I482 HydrophobicContact CE-CD1 3.42Å; M448-I482 VanDerWaalsContact CE-CD1 3.42Å; M448-I482 HydrophobicContact CE-CG2 4.28Å; M448-K485 HydrophobicContact CG-CB 4.43Å; M448-K485 HydrophobicContact CG-CD 3.55Å; M448-K485 HydrophobicContact SD-CB 3.75Å; M448-K485 HydrophobicContact SD-CD 3.76Å; M448-K485 HydrophobicContact SD-CG 4.41Å
449	A	93.6	Very high	91.5	Very high	43 Å²	43	45 Å²	45	36%	0.355	23%	0.231	S	C	.	.	H	α-helix	trans	-63.5	-35.2	176.5	0	0	0	0	0	112.2	T445 L446 L451 I452 D453	T445-A449 PolarHBondContact O-N 3.04Å; L446-A449 WeakPolarHBondContact O-CB 3.31Å; L446-A449 PolarHBondContact O-N 3.34Å; A449-L451 VanDerWaalsContact C-N 3.28Å; A449-L451 PolarHBondContact O-N 3.32Å; A449-I452 WeakPolarHBondContact O-CG1 3.32Å; A449-I452 PolarHBondContact O-N 3.49Å; A449-D453 PolarHBondContact O-N 2.89Å
450	W	95.7	Very high	92	Very high	6 Å²	6	50.1 Å²	50.1	2%	0.023	26%	0.255	C	S	.	.	H	α-helix	trans	-67.4	-25.5	178.1	-59.6	-37.7	0	0	0	114.2	A412 I423 I424 M427 L446 C447 M448 I452 D453 I458 A462	A412-W450 HydrophobicContact CB-CZ2 3.68Å; A412-W450 PolarHBondContact O-NE1 3.36Å; I423-W450 HydrophobicContact CG2-CH2 3.95Å; I423-W450 HydrophobicContact CG2-CZ2 3.79Å; I424-W450 HydrophobicContact CB-CE3 4.47Å; I424-W450 HydrophobicContact CB-CH2 4.44Å; I424-W450 HydrophobicContact CB-CZ3 4.27Å; I424-W450 HydrophobicContact CD1-CB 4.22Å; I424-W450 HydrophobicContact CD1-CD2 3.9Å; I424-W450 HydrophobicContact CD1-CE3 4.21Å; I424-W450 HydrophobicContact CD1-CG 3.93Å; I424-W450 HydrophobicContact CG1-CD2 3.51Å; I424-W450 HydrophobicContact CG1-CE3 3.48Å; I424-W450 VanDerWaalsContact CG1-CE3 3.48Å; I424-W450 HydrophobicContact CG1-CG 4.1Å; I424-W450 HydrophobicContact CG1-CH2 3.71Å; I424-W450 HydrophobicContact CG1-CZ2 3.81Å; I424-W450 HydrophobicContact CG1-CZ3 3.59Å; M427-W450 HydrophobicContact CB-CH2 4.21Å; M427-W450 HydrophobicContact CB-CZ3 4.21Å; M427-W450 HydrophobicContact CE-CH2 3.3Å; M427-W450 HydrophobicContact CE-CZ2 4.16Å; M427-W450 HydrophobicContact CE-CZ3 3.96Å; M427-W450 HydrophobicContact CG-CH2 4.23Å; M427-W450 HydrophobicContact CG-CZ3 4.07Å; L446-W450 PolarHBondContact O-N 2.73Å; L446-W450 VanDerWaalsContact O-N 3.09Å; C447-W450 HydrophobicContact CB-CE3 4.3Å; C447-W450 HydrophobicContact CB-CZ3 4.44Å; M448-W450 VanDerWaalsContact C-N 3.3Å; M448-W450 PolarHBondContact O-N 3.48Å; W450-I452 PolarHBondContact O-N 2.86Å; W450-D453 VanDerWaalsContact O-CB 3.28Å; W450-D453 WeakPolarHBondContact O-CB 3.43Å; W450-D453 PolarHBondContact O-N 3.46Å; W450-D453 VanDerWaalsContact O-N 3.17Å; W450-I458 HydrophobicContact CB-CG2 4.11Å; W450-A462 HydrophobicContact CB-CB 3.57Å
451	L	95.7	Very high	92.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-21.2	175.9	-60.5	173.4	0	0	0	112.6	M448 A449 R459 A462 L466 V486 M489 T500	M448-L451 WeakPolarHBondContact O-CB 3.33Å; M448-L451 PolarHBondContact O-N 3.21Å; M448-L451 HydrophobicContact SD-CD1 4.03Å; A449-L451 VanDerWaalsContact C-N 3.28Å; A449-L451 PolarHBondContact O-N 3.32Å; L451-R459 WeakPolarHBondContact O-CD 3.39Å; L451-R459 WeakPolarHBondContact O-CG 3.3Å; L451-A462 HydrophobicContact CD2-CB 3.79Å; L451-A462 HydrophobicContact CG-CB 4.48Å; L451-L466 HydrophobicContact CD1-CD1 3.93Å; L451-L466 HydrophobicContact CD2-CD1 4.08Å; L451-V486 HydrophobicContact CD1-CG2 4.27Å; L451-M489 HydrophobicContact CB-CE 3.9Å; L451-M489 HydrophobicContact CB-SD 3.82Å; L451-M489 HydrophobicContact CD1-CE 3.75Å; L451-M489 HydrophobicContact CD1-SD 4.3Å; L451-M489 HydrophobicContact CG-CE 4.4Å; L451-T500 HydrophobicContact CB-CG2 4.18Å; L451-T500 HydrophobicContact CD2-CG2 4.24Å; L451-T500 WeakPolarHBondContact O-CG2 3.5Å; L451-T500 PolarHBondContact O-OG1 2.7Å
452	I	94.9	Very high	93.1	Very high	76 Å²	76	41.7 Å²	41.7	39%	0.39	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	16.9	176.7	63	168.8	0	0	0	112.2	A449 W450 M489 H497	A449-I452 WeakPolarHBondContact O-CG1 3.32Å; A449-I452 PolarHBondContact O-N 3.49Å; W450-I452 PolarHBondContact O-N 2.86Å; I452-M489 HydrophobicContact CG2-SD 3.77Å; I452-H497 HydrophobicContact CG2-CB 4.25Å
453	D	96.1	Very high	93.9	Very high	18 Å²	18	36.7 Å²	36.7	10%	0.096	20%	0.197	C	C	.	.			trans	-60.9	148.5	176.8	-167	-70.8	0	0	0	110.7	R420 A449 W450 V455 I458 R459	R420-D453 IonicContact CZ-OD1 3.44Å; R420-D453 IonicContact CZ-OD2 2.78Å; R420-D453 VanDerWaalsContact CZ-OD2 3.23Å; R420-D453 IonicContact NE-OD2 3.92Å; R420-D453 PolarHBondContact NE-OD2 2.9Å; R420-D453 VanDerWaalsContact NH2-CG 3.31Å; R420-D453 IonicContact NH2-OD1 3.84Å; R420-D453 PolarHBondContact NH2-OD1 3.11Å; R420-D453 IonicContact NH2-OD2 3.97Å; R420-D453 PolarHBondContact NH2-OD2 3.3Å; A449-D453 PolarHBondContact O-N 2.89Å; W450-D453 VanDerWaalsContact O-CB 3.28Å; W450-D453 WeakPolarHBondContact O-CB 3.43Å; W450-D453 PolarHBondContact O-N 3.46Å; W450-D453 VanDerWaalsContact O-N 3.17Å; D453-V455 VanDerWaalsContact C-N 3.28Å; D453-V455 PolarHBondContact O-N 3.49Å; D453-V455 WeakPolarHBondContact OD1-CB 3.24Å; D453-V455 PolarHBondContact OD1-N 3.38Å; D453-I458 HydrophobicContact CB-CB 3.83Å; D453-I458 HydrophobicContact CB-CG2 3.39Å; D453-I458 WeakPolarHBondContact OD2-CG2 3.46Å; D453-R459 HydrophobicContact CB-CG 4.2Å; D453-R459 WeakPolarHBondContact O-CD 3.28Å; D453-R459 WeakPolarHBondContact O-CG 3.48Å; D453-R459 PolarHBondContact O-NH1 3.45Å
454	H	93.6	Very high	94.3	Very high	148 Å²	148	39.7 Å²	39.7	69%	0.685	22%	0.217	S	C	*	.	S	Bend	trans	-67	-28.1	178.7	59.4	-78.5	0	0	0	112.7	R420 R459	R420-H454 PolarHBondContact NH2-CE1 3.17Å; H454-R459 PolarHBondContact O-NH1 3.4Å; H454-R459 VanDerWaalsContact O-NH1 3.09Å
455	V	95.8	Very high	94.5	Very high	32 Å²	32	39.4 Å²	39.4	19%	0.194	22%	0.216	C	C	.	.	S	Bend	trans	-88	125.1	179.4	-176.8	0	0	0	0	110.9	W417 D453 A457 I458 R459	W417-V455 HydrophobicContact CB-CB 4.38Å; W417-V455 HydrophobicContact CB-CG1 4.32Å; W417-V455 HydrophobicContact CB-CG2 3.91Å; W417-V455 HydrophobicContact CD2-CG1 4.34Å; W417-V455 HydrophobicContact CG-CG1 4.23Å; W417-V455 HydrophobicContact CG-CG2 4.33Å; D453-V455 VanDerWaalsContact C-N 3.28Å; D453-V455 PolarHBondContact O-N 3.49Å; D453-V455 WeakPolarHBondContact OD1-CB 3.24Å; D453-V455 PolarHBondContact OD1-N 3.38Å; V455-A457 HydrophobicContact CG1-CB 4.17Å; V455-A457 PolarHBondContact O-N 2.89Å; V455-I458 HydrophobicContact CB-CB 4.31Å; V455-I458 HydrophobicContact CB-CG1 3.91Å; V455-I458 HydrophobicContact CG1-CG1 4.18Å; V455-I458 WeakPolarHBondContact O-CB 3.4Å; V455-I458 PolarHBondContact O-N 3.49Å; V455-I458 VanDerWaalsContact O-N 3.17Å; V455-R459 PolarHBondContact O-N 3.43Å
456	Y	93.9	Very high	94.7	Very high	109 Å²	109	34.6 Å²	34.6	43%	0.427	19%	0.186	S	C	.	.	H	α-helix	trans	-57.7	-45.9	179.3	175.5	-96.6	0	0	0	113.2	I458 R459 E460 F503	Y456-I458 PolarHBondContact O-N 3.45Å; Y456-I458 VanDerWaalsContact O-N 3.16Å; Y456-R459 PolarHBondContact O-N 2.9Å; Y456-E460 HydrophobicContact CE1-CB 4.25Å; Y456-E460 PolarHBondContact O-N 2.9Å; Y456-F503 AromaticContact CE2-CE2 3.98Å; Y456-F503 HydrophobicContact CE2-CE2 3.98Å
457	A	96.3	Very high	94.8	Very high	33 Å²	33	35.2 Å²	35.2	27%	0.273	19%	0.191	S	C	.	.	H	α-helix	trans	-57.2	-32.1	179.5	0	0	0	0	0	112.7	W417 V455 A461	W417-A457 HydrophobicContact CZ3-CB 4.15Å; V455-A457 HydrophobicContact CG1-CB 4.17Å; V455-A457 PolarHBondContact O-N 2.89Å; A457-A461 VanDerWaalsContact O-CB 3.28Å; A457-A461 WeakPolarHBondContact O-CB 3.32Å; A457-A461 PolarHBondContact O-N 2.89Å
458	I	96.9	Very high	94.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-70.7	-45.3	174.6	-63.8	-61.1	0	0	0	111.2	W417 R420 L421 I424 W450 D453 V455 Y456 E460 A461 A462	W417-I458 HydrophobicContact CB-CD1 4.26Å; W417-I458 HydrophobicContact CB-CG1 4.07Å; W417-I458 HydrophobicContact CE3-CD1 4.21Å; W417-I458 WeakPolarHBondContact O-CD1 3.21Å; R420-I458 HydrophobicContact CB-CD1 3.93Å; L421-I458 HydrophobicContact CB-CD1 3.84Å; I424-I458 HydrophobicContact CD1-CB 4.46Å; I424-I458 HydrophobicContact CD1-CD1 3.95Å; I424-I458 HydrophobicContact CD1-CG2 3.57Å; W450-I458 HydrophobicContact CB-CG2 4.11Å; D453-I458 HydrophobicContact CB-CB 3.83Å; D453-I458 HydrophobicContact CB-CG2 3.39Å; D453-I458 WeakPolarHBondContact OD2-CG2 3.46Å; V455-I458 HydrophobicContact CB-CB 4.31Å; V455-I458 HydrophobicContact CB-CG1 3.91Å; V455-I458 HydrophobicContact CG1-CG1 4.18Å; V455-I458 WeakPolarHBondContact O-CB 3.4Å; V455-I458 PolarHBondContact O-N 3.49Å; V455-I458 VanDerWaalsContact O-N 3.17Å; Y456-I458 PolarHBondContact O-N 3.45Å; Y456-I458 VanDerWaalsContact O-N 3.16Å; I458-E460 VanDerWaalsContact C-N 3.3Å; I458-E460 PolarHBondContact O-N 3.4Å; I458-A461 PolarHBondContact O-N 3.41Å; I458-A462 VanDerWaalsContact O-CB 3.23Å; I458-A462 WeakPolarHBondContact O-CB 3.5Å; I458-A462 PolarHBondContact O-N 2.86Å
459	R	96.2	Very high	94.8	Very high	12 Å²	12	38.5 Å²	38.5	5%	0.045	20%	0.204	C	C	.	.	H	α-helix	trans	-62.2	-39.3	177	-59.7	-166.2	-61.6	-85.4	2.3	111.9	L451 D453 H454 V455 Y456 T463 T500	L451-R459 WeakPolarHBondContact O-CD 3.39Å; L451-R459 WeakPolarHBondContact O-CG 3.3Å; D453-R459 HydrophobicContact CB-CG 4.2Å; D453-R459 WeakPolarHBondContact O-CD 3.28Å; D453-R459 WeakPolarHBondContact O-CG 3.48Å; D453-R459 PolarHBondContact O-NH1 3.45Å; H454-R459 PolarHBondContact O-NH1 3.4Å; H454-R459 VanDerWaalsContact O-NH1 3.09Å; V455-R459 PolarHBondContact O-N 3.43Å; Y456-R459 PolarHBondContact O-N 2.9Å; R459-T463 WeakPolarHBondContact O-CB 3.42Å; R459-T463 PolarHBondContact O-N 3.13Å; R459-T463 PolarHBondContact O-OG1 3.44Å; R459-T500 HydrophobicContact CB-CG2 4.45Å; R459-T500 WeakPolarHBondContact CD-OG1 3.36Å
460	E	94.9	Very high	94.8	Very high	108 Å²	108	36.5 Å²	36.5	51%	0.505	19%	0.188	S	C	.	.	H	α-helix	trans	-65.1	-49.5	175.6	-177.7	177.6	-133.5	0	0	111.5	Y456 I458 A462 T463 S464	Y456-E460 HydrophobicContact CE1-CB 4.25Å; Y456-E460 PolarHBondContact O-N 2.9Å; I458-E460 VanDerWaalsContact C-N 3.3Å; I458-E460 PolarHBondContact O-N 3.4Å; E460-A462 VanDerWaalsContact C-N 3.32Å; E460-A462 PolarHBondContact O-N 3.36Å; E460-T463 WeakPolarHBondContact O-CB 3.35Å; E460-T463 PolarHBondContact O-N 3.45Å; E460-T463 VanDerWaalsContact O-N 3.17Å; E460-S464 PolarHBondContact O-N 2.82Å
461	A	95.8	Very high	94.6	Very high	20 Å²	20	43.1 Å²	43.1	17%	0.165	22%	0.219	C	C	.	.	H	α-helix	trans	-61	-41.2	176.4	0	0	0	0	0	112	L421 I424 A457 I458 T463 S464 N465	L421-A461 HydrophobicContact CD1-CB 3.31Å; I424-A461 HydrophobicContact CG2-CB 3.82Å; A457-A461 VanDerWaalsContact O-CB 3.28Å; A457-A461 WeakPolarHBondContact O-CB 3.32Å; A457-A461 PolarHBondContact O-N 2.89Å; I458-A461 PolarHBondContact O-N 3.41Å; A461-T463 VanDerWaalsContact C-N 3.33Å; A461-T463 PolarHBondContact O-N 3.44Å; A461-S464 PolarHBondContact O-N 3.28Å; A461-N465 VanDerWaalsContact O-CB 3.25Å; A461-N465 WeakPolarHBondContact O-CB 3.48Å; A461-N465 PolarHBondContact O-N 3.39Å
462	A	96.1	Very high	94.3	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.008	24%	0.239	C	C	.	.	H	α-helix	trans	-63.8	-38	175.8	0	0	0	0	0	112	W450 L451 I458 E460 N465 L466	W450-A462 HydrophobicContact CB-CB 3.57Å; L451-A462 HydrophobicContact CD2-CB 3.79Å; L451-A462 HydrophobicContact CG-CB 4.48Å; I458-A462 VanDerWaalsContact O-CB 3.23Å; I458-A462 WeakPolarHBondContact O-CB 3.5Å; I458-A462 PolarHBondContact O-N 2.86Å; E460-A462 VanDerWaalsContact C-N 3.32Å; E460-A462 PolarHBondContact O-N 3.36Å; A462-N465 WeakPolarHBondContact O-CB 3.5Å; A462-N465 PolarHBondContact O-N 3.36Å; A462-L466 WeakPolarHBondContact O-CG 2.95Å; A462-L466 PolarHBondContact O-N 2.78Å
463	T	94.8	Very high	94.1	Very high	12 Å²	12	46.1 Å²	46.1	7%	0.074	23%	0.229	C	C	.	.	H	α-helix	trans	-62.7	-47.2	174.3	-61.5	0	0	0	0	111.5	R459 E460 A461 N465 L466 F503 A507	R459-T463 WeakPolarHBondContact O-CB 3.42Å; R459-T463 PolarHBondContact O-N 3.13Å; R459-T463 PolarHBondContact O-OG1 3.44Å; E460-T463 WeakPolarHBondContact O-CB 3.35Å; E460-T463 PolarHBondContact O-N 3.45Å; E460-T463 VanDerWaalsContact O-N 3.17Å; A461-T463 VanDerWaalsContact C-N 3.33Å; A461-T463 PolarHBondContact O-N 3.44Å; T463-N465 VanDerWaalsContact C-N 3.3Å; T463-N465 PolarHBondContact O-N 3.45Å; T463-L466 PolarHBondContact O-N 2.96Å; T463-F503 HydrophobicContact CG2-CB 4.27Å; T463-F503 WeakPolarHBondContact CG2-O 3.38Å; T463-A507 HydrophobicContact CG2-CB 3.77Å
464	S	94.4	Very high	94	Very high	62 Å²	62	46.7 Å²	46.7	43%	0.434	24%	0.239	S	C	.	.	H	α-helix	trans	-61.8	-40	174.7	-177.2	0	0	0	0	111.6	E460 A461 L466 T467 K468	E460-S464 PolarHBondContact O-N 2.82Å; A461-S464 PolarHBondContact O-N 3.28Å; S464-L466 PolarHBondContact O-N 3.39Å; S464-T467 WeakPolarHBondContact O-CB 3.35Å; S464-T467 PolarHBondContact O-N 2.98Å; S464-T467 VanDerWaalsContact O-N 3.17Å; S464-K468 PolarHBondContact O-N 3.31Å
465	N	94.1	Very high	93.9	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.021	22%	0.219	C	C	.	.	H	α-helix	trans	-58.7	-42.8	177.1	-178.9	-91.1	0	0	0	112.6	I424 P428 A461 A462 T463 T467 K468 L469	I424-N465 HydrophobicContact CG2-CB 3.85Å; I424-N465 PolarHBondContact O-ND2 3.16Å; P428-N465 WeakPolarHBondContact CD-ND2 3.13Å; P428-N465 WeakPolarHBondContact CG-ND2 3.27Å; A461-N465 VanDerWaalsContact O-CB 3.25Å; A461-N465 WeakPolarHBondContact O-CB 3.48Å; A461-N465 PolarHBondContact O-N 3.39Å; A462-N465 WeakPolarHBondContact O-CB 3.5Å; A462-N465 PolarHBondContact O-N 3.36Å; T463-N465 VanDerWaalsContact C-N 3.3Å; T463-N465 PolarHBondContact O-N 3.45Å; N465-T467 VanDerWaalsContact C-N 3.26Å; N465-T467 PolarHBondContact O-N 3.32Å; N465-K468 PolarHBondContact O-N 3.24Å; N465-L469 WeakPolarHBondContact O-CG 3.28Å; N465-L469 PolarHBondContact O-N 3.3Å; N465-L469 VanDerWaalsContact OD1-CD1 3.29Å; N465-L469 WeakPolarHBondContact OD1-CD1 3.48Å
466	L	93.9	Very high	93.7	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.016	24%	0.242	C	C	.	.	H	α-helix	trans	-56.6	-41.4	176.5	-67	-176.2	0	0	0	112.1	M448 L451 A462 T463 S464 K468 L469 V470 I482 V486 L508	M448-L466 HydrophobicContact CE-CD2 3.75Å; L451-L466 HydrophobicContact CD1-CD1 3.93Å; L451-L466 HydrophobicContact CD2-CD1 4.08Å; A462-L466 WeakPolarHBondContact O-CG 2.95Å; A462-L466 PolarHBondContact O-N 2.78Å; T463-L466 PolarHBondContact O-N 2.96Å; S464-L466 PolarHBondContact O-N 3.39Å; L466-K468 PolarHBondContact O-N 3.49Å; L466-L469 HydrophobicContact CD2-CD1 4.42Å; L466-L469 WeakPolarHBondContact O-CB 3.4Å; L466-L469 PolarHBondContact O-N 3.49Å; L466-L469 VanDerWaalsContact O-N 3.14Å; L466-V470 WeakPolarHBondContact O-CG2 3.46Å; L466-V470 PolarHBondContact O-N 2.97Å; L466-I482 HydrophobicContact CD1-CG2 4.03Å; L466-I482 HydrophobicContact CD2-CD1 4.41Å; L466-I482 HydrophobicContact CD2-CG2 4.04Å; L466-V486 HydrophobicContact CD1-CG2 3.95Å; L466-L508 HydrophobicContact CB-CD2 4.09Å; L466-L508 HydrophobicContact CD1-CD1 4.44Å
467	T	92.8	Very high	93.7	Very high	26 Å²	26	42.5 Å²	42.5	16%	0.16	23%	0.226	C	C	.	.	H	α-helix	trans	-59.8	-47.7	179.2	-49.7	0	0	0	0	110.8	S464 N465 L469 V470 E471 A507 A511	S464-T467 WeakPolarHBondContact O-CB 3.35Å; S464-T467 PolarHBondContact O-N 2.98Å; S464-T467 VanDerWaalsContact O-N 3.17Å; N465-T467 VanDerWaalsContact C-N 3.26Å; N465-T467 PolarHBondContact O-N 3.32Å; T467-L469 VanDerWaalsContact C-N 3.27Å; T467-L469 PolarHBondContact O-N 3.35Å; T467-V470 PolarHBondContact O-N 2.91Å; T467-V470 VanDerWaalsContact O-N 3.13Å; T467-E471 WeakPolarHBondContact O-CG 3.39Å; T467-E471 PolarHBondContact O-N 3.45Å; T467-A507 WeakPolarHBondContact OG1-CB 3.41Å; T467-A511 HydrophobicContact CG2-CB 4.11Å
468	K	93	Very high	93.6	Very high	95 Å²	95	41 Å²	41	41%	0.413	21%	0.213	S	C	.	.	H	α-helix	trans	-61.9	-33.5	176.5	-61.8	178.3	-178.6	178.8	0	112.6	P428 S464 N465 L466 K472	P428-K468 HydrophobicContact CB-CB 3.95Å; P428-K468 HydrophobicContact CB-CD 4.48Å; P428-K468 HydrophobicContact CG-CB 3.89Å; P428-K468 HydrophobicContact CG-CD 3.86Å; S464-K468 PolarHBondContact O-N 3.31Å; N465-K468 PolarHBondContact O-N 3.24Å; L466-K468 PolarHBondContact O-N 3.49Å; K468-K472 PolarHBondContact O-N 3.2Å
469	L	92.6	Very high	93.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-69.9	-41.2	174.7	-67.5	172.8	0	0	0	111.7	A431 F439 N465 L466 T467 K472 F473 W477	A431-L469 HydrophobicContact CB-CD2 3.37Å; F439-L469 HydrophobicContact CE1-CD1 4.41Å; F439-L469 HydrophobicContact CE2-CD1 3.85Å; F439-L469 HydrophobicContact CE2-CD2 4.01Å; F439-L469 HydrophobicContact CZ-CD1 3.51Å; F439-L469 HydrophobicContact CZ-CD2 4.36Å; N465-L469 WeakPolarHBondContact O-CG 3.28Å; N465-L469 PolarHBondContact O-N 3.3Å; N465-L469 VanDerWaalsContact OD1-CD1 3.29Å; N465-L469 WeakPolarHBondContact OD1-CD1 3.48Å; L466-L469 HydrophobicContact CD2-CD1 4.42Å; L466-L469 WeakPolarHBondContact O-CB 3.4Å; L466-L469 PolarHBondContact O-N 3.49Å; L466-L469 VanDerWaalsContact O-N 3.14Å; T467-L469 VanDerWaalsContact C-N 3.27Å; T467-L469 PolarHBondContact O-N 3.35Å; L469-K472 PolarHBondContact O-N 3.14Å; L469-K472 VanDerWaalsContact O-N 3.13Å; L469-F473 HydrophobicContact CD2-CE2 4.19Å; L469-F473 PolarHBondContact O-N 3.29Å; L469-W477 HydrophobicContact CB-CH2 4.09Å; L469-W477 HydrophobicContact CB-CZ3 4.12Å
470	V	93.1	Very high	93.2	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.012	25%	0.252	C	S	.	.	H	α-helix	trans	-64.2	-41.5	175.7	178	0	0	0	0	111.3	L466 T467 K472 G474 W477 A478 L508 A511	L466-V470 WeakPolarHBondContact O-CG2 3.46Å; L466-V470 PolarHBondContact O-N 2.97Å; T467-V470 PolarHBondContact O-N 2.91Å; T467-V470 VanDerWaalsContact O-N 3.13Å; V470-K472 PolarHBondContact O-N 3.41Å; V470-G474 CarbonylContact O-C 3.51Å; V470-G474 WeakPolarHBondContact O-CA 3.33Å; V470-G474 PolarHBondContact O-N 3.17Å; V470-W477 HydrophobicContact CG2-CZ3 4.38Å; V470-A478 HydrophobicContact CB-CB 4.21Å; V470-A478 HydrophobicContact CG1-CB 3.84Å; V470-A478 HydrophobicContact CG2-CB 3.41Å; V470-A478 VanDerWaalsContact CG2-CB 3.41Å; V470-L508 HydrophobicContact CG2-CD2 3.56Å; V470-A511 HydrophobicContact CB-CB 4.16Å; V470-A511 HydrophobicContact CG1-CB 3.81Å
471	E	91.4	Very high	93	Very high	144 Å²	144	44.6 Å²	44.6	67%	0.673	24%	0.236	S	C	*	.	H	α-helix	trans	-58	-29.4	174.1	-71.5	170.7	171.9	0	0	112.3	T467	T467-E471 WeakPolarHBondContact O-CG 3.39Å; T467-E471 PolarHBondContact O-N 3.45Å
472	K	88.9	Confident	92.9	Very high	99 Å²	99	43.7 Å²	43.7	43%	0.43	23%	0.228	S	C	.	.	H	α-helix	trans	-90.9	-39.6	-176.5	-155	164.6	-164.6	-172.6	0	114	P428 L429 G432 K468 L469 V470	P428-K472 WeakPolarHBondContact O-CD 3.37Å; P428-K472 PolarHBondContact O-NZ 3.24Å; L429-K472 PolarHBondContact O-NZ 2.91Å; G432-K472 VanDerWaalsContact CA-NZ 3.35Å; K468-K472 PolarHBondContact O-N 3.2Å; L469-K472 PolarHBondContact O-N 3.14Å; L469-K472 VanDerWaalsContact O-N 3.13Å; V470-K472 PolarHBondContact O-N 3.41Å
473	F	91.9	Very high	92.8	Very high	40 Å²	40	43.7 Å²	43.7	18%	0.175	23%	0.228	C	C	.	.	H	α-helix	trans	-102.2	-12	-176.6	-62.9	-40.2	0	0	0	114	A431 V436 F439 L469 W477	A431-F473 HydrophobicContact CB-CE2 3.92Å; A431-F473 HydrophobicContact CB-CZ 3.76Å; A431-F473 WeakPolarHBondContact O-CZ 3.17Å; V436-F473 HydrophobicContact CB-CD1 3.99Å; V436-F473 HydrophobicContact CB-CE1 4.02Å; V436-F473 HydrophobicContact CB-CG 4.43Å; V436-F473 HydrophobicContact CB-CZ 4.45Å; V436-F473 HydrophobicContact CG2-CD1 4.27Å; V436-F473 HydrophobicContact CG2-CD2 4.45Å; V436-F473 HydrophobicContact CG2-CG 4.19Å; F439-F473 HydrophobicContact CB-CE2 4.08Å; F439-F473 HydrophobicContact CB-CZ 4.1Å; F439-F473 HydrophobicContact CD1-CE2 4.09Å; F439-F473 HydrophobicContact CD2-CE2 4.28Å; F439-F473 AromaticContact CG-CE2 3.87Å; F439-F473 HydrophobicContact CG-CE2 3.87Å; F439-F473 HydrophobicContact CG-CZ 4.34Å; L469-F473 HydrophobicContact CD2-CE2 4.19Å; L469-F473 PolarHBondContact O-N 3.29Å; F473-W477 HydrophobicContact CB-CB 4.2Å; F473-W477 HydrophobicContact CB-CD2 3.55Å; F473-W477 HydrophobicContact CB-CE3 3.47Å; F473-W477 VanDerWaalsContact CB-CE3 3.47Å; F473-W477 HydrophobicContact CB-CG 3.88Å; F473-W477 HydrophobicContact CB-CZ3 4.05Å; F473-W477 HydrophobicContact CD2-CD2 4.02Å; F473-W477 AromaticContact CD2-CE2 3.85Å; F473-W477 AromaticContact CD2-CE3 3.98Å; F473-W477 HydrophobicContact CD2-CE3 3.98Å; F473-W477 AromaticContact CD2-CH2 3.6Å; F473-W477 HydrophobicContact CD2-CH2 3.6Å; F473-W477 AromaticContact CD2-CZ2 3.66Å; F473-W477 HydrophobicContact CD2-CZ2 3.66Å; F473-W477 AromaticContact CD2-CZ3 3.77Å; F473-W477 HydrophobicContact CD2-CZ3 3.77Å; F473-W477 HydrophobicContact CE2-CH2 4.28Å; F473-W477 HydrophobicContact CE2-CZ2 4.19Å; F473-W477 HydrophobicContact CG-CD2 4.2Å; F473-W477 HydrophobicContact CG-CE3 4.23Å; F473-W477 HydrophobicContact CG-CZ3 4.43Å
474	G	92.7	Very high	92.8	Very high	30 Å²	30	46.3 Å²	46.3	31%	0.309	25%	0.246	S	C	.	.			trans	92.9	159.8	176.5	0	0	0	0	0	114.6	V470 E476 W477 A478	V470-G474 CarbonylContact O-C 3.51Å; V470-G474 WeakPolarHBondContact O-CA 3.33Å; V470-G474 PolarHBondContact O-N 3.17Å; G474-E476 PolarHBondContact O-N 2.98Å; G474-W477 PolarHBondContact O-N 3.05Å; G474-A478 PolarHBondContact O-N 3.33Å; G474-A478 VanDerWaalsContact O-N 3.17Å
475	A	92.8	Very high	92.7	Very high	31 Å²	31	47.3 Å²	47.3	26%	0.256	24%	0.242	S	C	.	.	H	α-helix	trans	-64.6	-35.2	-177.4	0	0	0	0	0	113.6	A478 Q479 I516	A475-A478 WeakPolarHBondContact O-CB 3.43Å; A475-A478 PolarHBondContact O-N 3.09Å; A475-Q479 WeakPolarHBondContact O-CB 2.98Å; A475-Q479 PolarHBondContact O-N 3.41Å; A475-I516 HydrophobicContact CB-CD1 3.97Å
476	E	91.9	Very high	92.8	Very high	146 Å²	146	47.2 Å²	47.2	68%	0.682	24%	0.241	S	C	*	.	H	α-helix	trans	-66.8	-40.9	178.8	-171.9	179.9	-176.6	0	0	111.7	G474 A478 Q479 N480	G474-E476 PolarHBondContact O-N 2.98Å; E476-A478 VanDerWaalsContact C-N 3.35Å; E476-Q479 WeakPolarHBondContact O-CB 3.4Å; E476-Q479 PolarHBondContact O-N 2.85Å; E476-N480 PolarHBondContact O-N 3.41Å; E476-N480 PolarHBondContact O-ND2 3.25Å; E476-N480 VanDerWaalsContact O-ND2 3.14Å
477	W	94	Very high	92.8	Very high	25 Å²	25	48.3 Å²	48.3	10%	0.095	25%	0.247	C	C	.	.	H	α-helix	trans	-61.6	-45.5	172	167.4	82.1	0	0	0	110.9	V436 F439 D440 L469 V470 F473 G474 Q479 N480 T481 I482	V436-W477 HydrophobicContact CG2-CG 4.06Å; V436-W477 VanDerWaalsContact CG2-NE1 3.28Å; F439-W477 HydrophobicContact CD1-CH2 4.38Å; F439-W477 AromaticContact CD1-CZ2 3.72Å; F439-W477 HydrophobicContact CD1-CZ2 3.72Å; F439-W477 AromaticContact CE1-CH2 3.93Å; F439-W477 HydrophobicContact CE1-CH2 3.93Å; F439-W477 AromaticContact CE1-CZ2 3.61Å; F439-W477 HydrophobicContact CE1-CZ2 3.61Å; D440-W477 PolarHBondContact OD1-NE1 2.86Å; D440-W477 PolarHBondContact OD2-NE1 2.82Å; L469-W477 HydrophobicContact CB-CH2 4.09Å; L469-W477 HydrophobicContact CB-CZ3 4.12Å; V470-W477 HydrophobicContact CG2-CZ3 4.38Å; F473-W477 HydrophobicContact CB-CB 4.2Å; F473-W477 HydrophobicContact CB-CD2 3.55Å; F473-W477 HydrophobicContact CB-CE3 3.47Å; F473-W477 VanDerWaalsContact CB-CE3 3.47Å; F473-W477 HydrophobicContact CB-CG 3.88Å; F473-W477 HydrophobicContact CB-CZ3 4.05Å; F473-W477 HydrophobicContact CD2-CD2 4.02Å; F473-W477 AromaticContact CD2-CE2 3.85Å; F473-W477 AromaticContact CD2-CE3 3.98Å; F473-W477 HydrophobicContact CD2-CE3 3.98Å; F473-W477 AromaticContact CD2-CH2 3.6Å; F473-W477 HydrophobicContact CD2-CH2 3.6Å; F473-W477 AromaticContact CD2-CZ2 3.66Å; F473-W477 HydrophobicContact CD2-CZ2 3.66Å; F473-W477 AromaticContact CD2-CZ3 3.77Å; F473-W477 HydrophobicContact CD2-CZ3 3.77Å; F473-W477 HydrophobicContact CE2-CH2 4.28Å; F473-W477 HydrophobicContact CE2-CZ2 4.19Å; F473-W477 HydrophobicContact CG-CD2 4.2Å; F473-W477 HydrophobicContact CG-CE3 4.23Å; F473-W477 HydrophobicContact CG-CZ3 4.43Å; G474-W477 PolarHBondContact O-N 3.05Å; W477-Q479 VanDerWaalsContact C-N 3.3Å; W477-Q479 PolarHBondContact O-N 3.09Å; W477-N480 PolarHBondContact O-N 2.95Å; W477-N480 VanDerWaalsContact O-N 3.14Å; W477-T481 HydrophobicContact CZ2-CG2 4.33Å; W477-T481 WeakPolarHBondContact O-CB 3.27Å; W477-T481 PolarHBondContact O-N 3.43Å; W477-T481 PolarHBondContact O-OG1 3.27Å; W477-I482 HydrophobicContact CE3-CG1 4.29Å; W477-I482 HydrophobicContact CH2-CD1 3.55Å; W477-I482 HydrophobicContact CH2-CG1 3.42Å; W477-I482 VanDerWaalsContact CH2-CG1 3.42Å; W477-I482 HydrophobicContact CZ2-CD1 3.9Å; W477-I482 HydrophobicContact CZ2-CG1 3.94Å; W477-I482 HydrophobicContact CZ3-CD1 4.26Å; W477-I482 HydrophobicContact CZ3-CG1 3.62Å
478	A	93.7	Very high	92.9	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-58.7	-43	178.6	0	0	0	0	0	111.9	V470 G474 A475 E476 N480 I482 V483	V470-A478 HydrophobicContact CB-CB 4.21Å; V470-A478 HydrophobicContact CG1-CB 3.84Å; V470-A478 HydrophobicContact CG2-CB 3.41Å; V470-A478 VanDerWaalsContact CG2-CB 3.41Å; G474-A478 PolarHBondContact O-N 3.33Å; G474-A478 VanDerWaalsContact O-N 3.17Å; A475-A478 WeakPolarHBondContact O-CB 3.43Å; A475-A478 PolarHBondContact O-N 3.09Å; E476-A478 VanDerWaalsContact C-N 3.35Å; A478-N480 VanDerWaalsContact C-N 3.29Å; A478-N480 PolarHBondContact O-N 3.11Å; A478-I482 WeakPolarHBondContact O-CA 3.49Å; A478-I482 PolarHBondContact O-N 3.47Å; A478-V483 WeakPolarHBondContact O-CG2 3.24Å; A478-V483 PolarHBondContact O-N 3.07Å
479	Q	93.3	Very high	92.9	Very high	62 Å²	62	45.6 Å²	45.6	29%	0.29	25%	0.246	S	C	.	.	H	α-helix	trans	-57.5	-39.3	177	-177	-177.9	-14.5	0	0	112.7	A475 E476 W477 P484 I516 Q520	A475-Q479 WeakPolarHBondContact O-CB 2.98Å; A475-Q479 PolarHBondContact O-N 3.41Å; E476-Q479 WeakPolarHBondContact O-CB 3.4Å; E476-Q479 PolarHBondContact O-N 2.85Å; W477-Q479 VanDerWaalsContact C-N 3.3Å; W477-Q479 PolarHBondContact O-N 3.09Å; Q479-P484 VanDerWaalsContact O-CD 3.32Å; Q479-P484 WeakPolarHBondContact O-CD 3.4Å; Q479-I516 HydrophobicContact CB-CD1 3.91Å; Q479-I516 HydrophobicContact CB-CG1 4.35Å; Q479-I516 HydrophobicContact CB-CG2 4.46Å; Q479-I516 HydrophobicContact CG-CD1 4.38Å; Q479-I516 HydrophobicContact CG-CG1 4.29Å; Q479-I516 HydrophobicContact CG-CG2 4.42Å; Q479-Q520 VanDerWaalsContact CG-NE2 3.3Å
480	N	91.9	Very high	93	Very high	107 Å²	107	46 Å²	46	57%	0.572	25%	0.249	S	C	*	.	H	α-helix	trans	-86.2	-34.8	-175.4	-67.1	-35.9	0	0	0	112.7	E476 W477 A478	E476-N480 PolarHBondContact O-N 3.41Å; E476-N480 PolarHBondContact O-ND2 3.25Å; E476-N480 VanDerWaalsContact O-ND2 3.14Å; W477-N480 PolarHBondContact O-N 2.95Å; W477-N480 VanDerWaalsContact O-N 3.14Å; A478-N480 VanDerWaalsContact C-N 3.29Å; A478-N480 PolarHBondContact O-N 3.11Å
481	T	90.6	Very high	93	Very high	27 Å²	27	51 Å²	51	17%	0.166	28%	0.276	C	S	.	.	H	α-helix	trans	-108.4	-39.7	-167.4	-57.2	0	0	0	0	113.8	D440 N444 W477	D440-T481 WeakPolarHBondContact OD1-CG2 3.33Å; N444-T481 WeakPolarHBondContact ND2-CG2 3.29Å; W477-T481 HydrophobicContact CZ2-CG2 4.33Å; W477-T481 WeakPolarHBondContact O-CB 3.27Å; W477-T481 PolarHBondContact O-N 3.43Å; W477-T481 PolarHBondContact O-OG1 3.27Å
482	I	93.7	Very high	93.2	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-51.5	-169.6	-57.5	-61.9	0	0	0	111.2	M448 L466 W477 A478 K485 V486 L508	M448-I482 HydrophobicContact CE-CD1 3.42Å; M448-I482 VanDerWaalsContact CE-CD1 3.42Å; M448-I482 HydrophobicContact CE-CG2 4.28Å; L466-I482 HydrophobicContact CD1-CG2 4.03Å; L466-I482 HydrophobicContact CD2-CD1 4.41Å; L466-I482 HydrophobicContact CD2-CG2 4.04Å; W477-I482 HydrophobicContact CE3-CG1 4.29Å; W477-I482 HydrophobicContact CH2-CD1 3.55Å; W477-I482 HydrophobicContact CH2-CG1 3.42Å; W477-I482 VanDerWaalsContact CH2-CG1 3.42Å; W477-I482 HydrophobicContact CZ2-CD1 3.9Å; W477-I482 HydrophobicContact CZ2-CG1 3.94Å; W477-I482 HydrophobicContact CZ3-CD1 4.26Å; W477-I482 HydrophobicContact CZ3-CG1 3.62Å; A478-I482 WeakPolarHBondContact O-CA 3.49Å; A478-I482 PolarHBondContact O-N 3.47Å; I482-K485 PolarHBondContact O-N 3.06Å; I482-K485 VanDerWaalsContact O-N 3.14Å; I482-V486 HydrophobicContact CG2-CG2 4.04Å; I482-V486 PolarHBondContact O-N 3.22Å; I482-L508 HydrophobicContact CG2-CD1 4.33Å
483	V	93.6	Very high	93.4	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.006	27%	0.272	C	S	.	.	H	α-helix	trans	-54.5	-48	-175.2	173.9	0	0	0	0	112.1	A478 K485 V486 L487 I516 Q520 M521	A478-V483 WeakPolarHBondContact O-CG2 3.24Å; A478-V483 PolarHBondContact O-N 3.07Å; V483-K485 VanDerWaalsContact C-N 3.26Å; V483-K485 PolarHBondContact O-N 3.28Å; V483-V486 PolarHBondContact O-N 3.23Å; V483-L487 HydrophobicContact CG1-CD1 3.65Å; V483-L487 HydrophobicContact CG1-CG 3.97Å; V483-L487 VanDerWaalsContact O-CG 3.26Å; V483-L487 WeakPolarHBondContact O-CG 3.23Å; V483-L487 PolarHBondContact O-N 3.08Å; V483-I516 HydrophobicContact CG2-CG2 4.47Å; V483-Q520 HydrophobicContact CG1-CB 4.25Å; V483-M521 HydrophobicContact CG1-CE 4.48Å; V483-M521 HydrophobicContact CG1-CG 4.47Å; V483-M521 HydrophobicContact CG2-CE 3.58Å
484	P	94	Very high	93.5	Very high	68 Å²	68	48.1 Å²	48.1	44%	0.442	28%	0.278	S	S	.	.	H	α-helix	trans	-59.9	-36.3	-178.3	-25.2	36.4	0	0	0	113.1	Q479 G488	Q479-P484 VanDerWaalsContact O-CD 3.32Å; Q479-P484 WeakPolarHBondContact O-CD 3.4Å; P484-G488 PolarHBondContact O-N 2.93Å; P484-G488 VanDerWaalsContact O-N 3.1Å
485	K	93.3	Very high	93.6	Very high	83 Å²	83	51 Å²	51	36%	0.361	28%	0.28	S	S	.	.	H	α-helix	trans	-72.4	-44.1	179.4	-59.9	-172.3	-173.6	-179.6	0	111.5	N444 M448 I482 V483 L487 G488 M489	N444-K485 PolarHBondContact ND2-NZ 3.07Å; N444-K485 PolarHBondContact OD1-NZ 3.06Å; M448-K485 HydrophobicContact CG-CB 4.43Å; M448-K485 HydrophobicContact CG-CD 3.55Å; M448-K485 HydrophobicContact SD-CB 3.75Å; M448-K485 HydrophobicContact SD-CD 3.76Å; M448-K485 HydrophobicContact SD-CG 4.41Å; I482-K485 PolarHBondContact O-N 3.06Å; I482-K485 VanDerWaalsContact O-N 3.14Å; V483-K485 VanDerWaalsContact C-N 3.26Å; V483-K485 PolarHBondContact O-N 3.28Å; K485-L487 PolarHBondContact O-N 3.08Å; K485-G488 PolarHBondContact O-N 3.38Å; K485-M489 PolarHBondContact O-N 3.38Å
486	V	94.7	Very high	93.7	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.006	28%	0.28	C	S	.	.	H	α-helix	trans	-58.5	-48.5	175.7	169.6	0	0	0	0	110.8	L451 L466 I482 V483 G488 M489 T501 C504 L508	L451-V486 HydrophobicContact CD1-CG2 4.27Å; L466-V486 HydrophobicContact CD1-CG2 3.95Å; I482-V486 HydrophobicContact CG2-CG2 4.04Å; I482-V486 PolarHBondContact O-N 3.22Å; V483-V486 PolarHBondContact O-N 3.23Å; V486-G488 VanDerWaalsContact C-N 3.27Å; V486-G488 PolarHBondContact O-N 2.74Å; V486-M489 HydrophobicContact CG1-CE 4.43Å; V486-M489 WeakPolarHBondContact O-CB 3.39Å; V486-M489 PolarHBondContact O-N 3.3Å; V486-T501 HydrophobicContact CG1-CG2 4.16Å; V486-T501 VanDerWaalsContact O-CG2 3.28Å; V486-T501 WeakPolarHBondContact O-CG2 3.41Å; V486-T501 PolarHBondContact O-OG1 2.75Å; V486-C504 HydrophobicContact CG1-CB 3.42Å; V486-C504 VanDerWaalsContact CG1-CB 3.42Å; V486-C504 HydrophobicContact CG2-CB 4.23Å; V486-L508 HydrophobicContact CG2-CD1 4.34Å
487	L	94.9	Very high	93.8	Very high	26 Å²	26	46 Å²	46	14%	0.136	25%	0.253	C	S	.	.	H	α-helix	trans	-65.7	-30.5	180	-62.4	-175.6	0	0	0	112.5	V483 K485 M489 A490 I505 Q520 V524	V483-L487 HydrophobicContact CG1-CD1 3.65Å; V483-L487 HydrophobicContact CG1-CG 3.97Å; V483-L487 VanDerWaalsContact O-CG 3.26Å; V483-L487 WeakPolarHBondContact O-CG 3.23Å; V483-L487 PolarHBondContact O-N 3.08Å; K485-L487 PolarHBondContact O-N 3.08Å; L487-M489 VanDerWaalsContact C-N 3.27Å; L487-M489 PolarHBondContact O-N 2.99Å; L487-A490 VanDerWaalsContact O-CB 3.26Å; L487-A490 WeakPolarHBondContact O-CB 3.31Å; L487-A490 PolarHBondContact O-N 3.3Å; L487-I505 HydrophobicContact CD2-CD1 3.8Å; L487-I505 HydrophobicContact CD2-CG1 4.19Å; L487-Q520 HydrophobicContact CD1-CB 4.37Å; L487-Q520 WeakPolarHBondContact CD1-O 3.44Å; L487-V524 HydrophobicContact CB-CG2 4.2Å; L487-V524 HydrophobicContact CD1-CG2 4.03Å; L487-V524 HydrophobicContact CD2-CB 3.95Å; L487-V524 HydrophobicContact CD2-CG1 4.16Å; L487-V524 HydrophobicContact CD2-CG2 3.87Å; L487-V524 HydrophobicContact CG-CG2 4.23Å
488	G	94.1	Very high	93.9	Very high	42 Å²	42	46 Å²	46	43%	0.433	25%	0.253	S	S	.	.	H	α-helix	trans	-57.9	-37.7	174.3	0	0	0	0	0	113.4	P484 K485 V486 A490 N491	P484-G488 PolarHBondContact O-N 2.93Å; P484-G488 VanDerWaalsContact O-N 3.1Å; K485-G488 PolarHBondContact O-N 3.38Å; V486-G488 VanDerWaalsContact C-N 3.27Å; V486-G488 PolarHBondContact O-N 2.74Å; G488-A490 PolarHBondContact O-N 3.09Å; G488-A490 VanDerWaalsContact O-N 3.14Å; G488-N491 PolarHBondContact O-N 3.36Å
489	M	94.7	Very high	94	Very high	22 Å²	22	47 Å²	47	11%	0.108	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-64.2	-17.2	179.8	-60.7	-169.4	-62.5	0	0	113.4	L451 I452 K485 V486 L487 N491 D492 T500 T501	L451-M489 HydrophobicContact CB-CE 3.9Å; L451-M489 HydrophobicContact CB-SD 3.82Å; L451-M489 HydrophobicContact CD1-CE 3.75Å; L451-M489 HydrophobicContact CD1-SD 4.3Å; L451-M489 HydrophobicContact CG-CE 4.4Å; I452-M489 HydrophobicContact CG2-SD 3.77Å; K485-M489 PolarHBondContact O-N 3.38Å; V486-M489 HydrophobicContact CG1-CE 4.43Å; V486-M489 WeakPolarHBondContact O-CB 3.39Å; V486-M489 PolarHBondContact O-N 3.3Å; L487-M489 VanDerWaalsContact C-N 3.27Å; L487-M489 PolarHBondContact O-N 2.99Å; M489-N491 PolarHBondContact O-N 3.1Å; M489-N491 VanDerWaalsContact O-N 3.09Å; M489-D492 VanDerWaalsContact O-CB 3.26Å; M489-D492 WeakPolarHBondContact O-CB 3.35Å; M489-D492 PolarHBondContact O-N 3.36Å; M489-T500 HydrophobicContact CE-CG2 4.39Å; M489-T501 VanDerWaalsContact C-OG1 3.31Å; M489-T501 VanDerWaalsContact CB-OG1 3.27Å; M489-T501 WeakPolarHBondContact CB-OG1 3.24Å
490	A	94	Very high	94.1	Very high	9 Å²	9	44.1 Å²	44.1	7%	0.074	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-60.9	-18.4	174.9	0	0	0	0	0	113.5	L487 G488 R498 T501 V524 M528	L487-A490 VanDerWaalsContact O-CB 3.26Å; L487-A490 WeakPolarHBondContact O-CB 3.31Å; L487-A490 PolarHBondContact O-N 3.3Å; G488-A490 PolarHBondContact O-N 3.09Å; G488-A490 VanDerWaalsContact O-N 3.14Å; A490-R498 WeakPolarHBondContact O-CD 3.47Å; A490-T501 HydrophobicContact CB-CG2 4.15Å; A490-T501 PolarHBondContact N-OG1 3.1Å; A490-V524 HydrophobicContact CB-CG1 3.57Å; A490-M528 HydrophobicContact CB-CG 4.23Å; A490-M528 HydrophobicContact CB-SD 3.68Å
491	N	93.6	Very high	94.3	Very high	106 Å²	106	39 Å²	39	57%	0.567	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-103.9	8.3	178.2	-48.4	-73.6	0	0	0	112.8	G488 M489 K527	G488-N491 PolarHBondContact O-N 3.36Å; M489-N491 PolarHBondContact O-N 3.1Å; M489-N491 VanDerWaalsContact O-N 3.09Å; N491-K527 PolarHBondContact OD1-NZ 3.01Å
492	D	94.6	Very high	94.6	Very high	43 Å²	43	37.7 Å²	37.7	23%	0.23	21%	0.209	C	C	.	.			trans	-65.6	139.5	179.1	-169.3	-70.8	0	0	0	111.1	M489 N494 H497 R498	M489-D492 VanDerWaalsContact O-CB 3.26Å; M489-D492 WeakPolarHBondContact O-CB 3.35Å; M489-D492 PolarHBondContact O-N 3.36Å; D492-N494 PolarHBondContact O-N 2.78Å; D492-N494 WeakPolarHBondContact OD1-CA 3.47Å; D492-N494 VanDerWaalsContact OD1-CB 3.25Å; D492-N494 WeakPolarHBondContact OD1-CB 3.41Å; D492-N494 PolarHBondContact OD1-N 3.33Å; D492-H497 HydrophobicContact CB-CB 3.88Å; D492-H497 IonicContact OD1-CG 2.91Å; D492-H497 IonicContact OD1-ND1 3.44Å; D492-H497 PolarHBondContact OD1-ND1 3.33Å; D492-H497 VanDerWaalsContact OD1-ND1 3.1Å; D492-H497 IonicContact OD2-CG 3.71Å; D492-H497 IonicContact OD2-ND1 3.51Å; D492-H497 PolarHBondContact OD2-ND1 3.09Å; D492-R498 HydrophobicContact CB-CG 4.37Å; D492-R498 VanDerWaalsContact O-CD 3.25Å; D492-R498 WeakPolarHBondContact O-CD 3.37Å; D492-R498 VanDerWaalsContact O-CG 3.27Å; D492-R498 WeakPolarHBondContact O-CG 3.46Å; D492-R498 PolarHBondContact O-NH1 3.2Å
493	P	93.6	Very high	94.7	Very high	123 Å²	123	40 Å²	40	80%	0.799	22%	0.219	S	C	*	.	S	Bend	trans	-60.7	-31	178.2	24.9	-35.5	0	0	0	113	Y495 R498	P493-Y495 PolarHBondContact O-N 3.04Å; P493-R498 VanDerWaalsContact C-NH1 3.34Å; P493-R498 PolarHBondContact O-NH1 3.29Å
494	N	94.2	Very high	94.9	Very high	57 Å²	57	39.9 Å²	39.9	31%	0.305	22%	0.219	S	C	.	.	S	Bend	trans	-79.9	118.4	178	-171.7	-9.1	0	0	0	111	D492 L496 H497 R498	D492-N494 PolarHBondContact O-N 2.78Å; D492-N494 WeakPolarHBondContact OD1-CA 3.47Å; D492-N494 VanDerWaalsContact OD1-CB 3.25Å; D492-N494 WeakPolarHBondContact OD1-CB 3.41Å; D492-N494 PolarHBondContact OD1-N 3.33Å; N494-L496 PolarHBondContact O-N 2.73Å; N494-L496 WeakPolarHBondContact OD1-CB 3.36Å; N494-L496 PolarHBondContact OD1-N 3.31Å; N494-H497 HydrophobicContact CB-CB 4.49Å; N494-H497 PolarHBondContact ND2-NE2 3.44Å; N494-H497 PolarHBondContact O-N 3.4Å; N494-H497 VanDerWaalsContact O-N 3.08Å; N494-R498 PolarHBondContact O-N 3.12Å
495	Y	94.3	Very high	95	Very high	90 Å²	90	36.7 Å²	36.7	35%	0.353	20%	0.198	S	C	.	.	H	α-helix	trans	-62.8	-25.6	179.8	83.5	-85.8	0	0	0	113	P493 H497 R498 M499 V533 N535	P493-Y495 PolarHBondContact O-N 3.04Å; Y495-H497 VanDerWaalsContact C-N 3.33Å; Y495-R498 PolarHBondContact O-N 2.85Å; Y495-M499 WeakPolarHBondContact O-CB 3.29Å; Y495-M499 PolarHBondContact O-N 3.21Å; Y495-V533 HydrophobicContact CD2-CG1 4.11Å; Y495-V533 HydrophobicContact CG-CG1 4.17Å; Y495-N535 HydrophobicContact CE2-CB 4.45Å
496	L	94.1	Very high	95.1	Very high	47 Å²	47	34 Å²	34	25%	0.246	19%	0.188	C	C	.	.	H	α-helix	trans	-65.3	-37.6	175.4	-66.7	175.8	0	0	0	111.6	N494 M499 T500	N494-L496 PolarHBondContact O-N 2.73Å; N494-L496 WeakPolarHBondContact OD1-CB 3.36Å; N494-L496 PolarHBondContact OD1-N 3.31Å; L496-M499 HydrophobicContact CD2-CE 3.97Å; L496-M499 PolarHBondContact O-N 3.45Å; L496-T500 PolarHBondContact O-N 3.23Å; L496-T500 PolarHBondContact O-OG1 2.87Å; L496-T500 VanDerWaalsContact O-OG1 3.07Å
497	H	94.8	Very high	95	Very high	26 Å²	26	35.3 Å²	35.3	12%	0.12	20%	0.198	C	C	.	.	H	α-helix	trans	-72.9	-40.9	178.1	-57.9	173.8	0	0	0	110.6	I452 D492 N494 Y495 M499 T500 T501	I452-H497 HydrophobicContact CG2-CB 4.25Å; D492-H497 HydrophobicContact CB-CB 3.88Å; D492-H497 IonicContact OD1-CG 2.91Å; D492-H497 IonicContact OD1-ND1 3.44Å; D492-H497 PolarHBondContact OD1-ND1 3.33Å; D492-H497 VanDerWaalsContact OD1-ND1 3.1Å; D492-H497 IonicContact OD2-CG 3.71Å; D492-H497 IonicContact OD2-ND1 3.51Å; D492-H497 PolarHBondContact OD2-ND1 3.09Å; N494-H497 HydrophobicContact CB-CB 4.49Å; N494-H497 PolarHBondContact ND2-NE2 3.44Å; N494-H497 PolarHBondContact O-N 3.4Å; N494-H497 VanDerWaalsContact O-N 3.08Å; Y495-H497 VanDerWaalsContact C-N 3.33Å; H497-M499 VanDerWaalsContact C-N 3.28Å; H497-M499 PolarHBondContact O-N 3.08Å; H497-T500 WeakPolarHBondContact O-CB 3.48Å; H497-T500 PolarHBondContact O-N 3.25Å; H497-T500 VanDerWaalsContact O-N 3.1Å; H497-T501 PolarHBondContact O-N 3.41Å; H497-T501 VanDerWaalsContact O-N 3.1Å; H497-T501 PolarHBondContact O-OG1 2.84Å
498	R	96.1	Very high	94.9	Very high	25 Å²	25	34.1 Å²	34.1	9%	0.094	19%	0.192	C	C	.	.	H	α-helix	trans	-58.7	-42.6	171.9	-60.1	-161.6	-59.5	-81.9	6.8	111.2	A490 D492 P493 N494 Y495 T500 T501 L502 M528 D531 V536	A490-R498 WeakPolarHBondContact O-CD 3.47Å; D492-R498 HydrophobicContact CB-CG 4.37Å; D492-R498 VanDerWaalsContact O-CD 3.25Å; D492-R498 WeakPolarHBondContact O-CD 3.37Å; D492-R498 VanDerWaalsContact O-CG 3.27Å; D492-R498 WeakPolarHBondContact O-CG 3.46Å; D492-R498 PolarHBondContact O-NH1 3.2Å; P493-R498 VanDerWaalsContact C-NH1 3.34Å; P493-R498 PolarHBondContact O-NH1 3.29Å; N494-R498 PolarHBondContact O-N 3.12Å; Y495-R498 PolarHBondContact O-N 2.85Å; R498-T500 VanDerWaalsContact C-N 3.33Å; R498-T500 PolarHBondContact O-N 3.09Å; R498-T501 WeakPolarHBondContact O-CB 3.27Å; R498-T501 PolarHBondContact O-N 2.79Å; R498-T501 VanDerWaalsContact O-N 3.11Å; R498-T501 PolarHBondContact O-OG1 3.21Å; R498-L502 PolarHBondContact O-N 3.28Å; R498-M528 HydrophobicContact CB-CE 4Å; R498-M528 WeakPolarHBondContact O-CE 3.25Å; R498-D531 IonicContact CZ-OD1 3.84Å; R498-D531 IonicContact CZ-OD2 2.75Å; R498-D531 IonicContact NE-OD1 3.02Å; R498-D531 IonicContact NE-OD2 2.78Å; R498-D531 PolarHBondContact NE-OD2 3.38Å; R498-D531 IonicContact NH2-OD1 3.88Å; R498-D531 PolarHBondContact NH2-OD1 3.29Å; R498-D531 IonicContact NH2-OD2 2.92Å; R498-D531 PolarHBondContact NH2-OD2 2.96Å; R498-V536 HydrophobicContact CB-CG2 4.47Å
499	M	95.4	Very high	94.9	Very high	21 Å²	21	32.1 Å²	32.1	10%	0.103	17%	0.172	C	C	.	.	H	α-helix	trans	-63.8	-37.9	175.4	-169.9	175.2	65	0	0	112	Y495 L496 H497 T501 L502 F503 N539	Y495-M499 WeakPolarHBondContact O-CB 3.29Å; Y495-M499 PolarHBondContact O-N 3.21Å; L496-M499 HydrophobicContact CD2-CE 3.97Å; L496-M499 PolarHBondContact O-N 3.45Å; H497-M499 VanDerWaalsContact C-N 3.28Å; H497-M499 PolarHBondContact O-N 3.08Å; M499-T501 PolarHBondContact O-N 3.39Å; M499-L502 WeakPolarHBondContact O-CB 3.5Å; M499-L502 PolarHBondContact O-N 3.14Å; M499-L502 VanDerWaalsContact O-N 3.09Å; M499-F503 HydrophobicContact CE-CE2 3.89Å; M499-F503 HydrophobicContact CE-CZ 4.1Å; M499-F503 HydrophobicContact CG-CD2 4.46Å; M499-F503 HydrophobicContact CG-CE1 4.12Å; M499-F503 HydrophobicContact CG-CE2 3.69Å; M499-F503 HydrophobicContact CG-CZ 3.49Å; M499-F503 VanDerWaalsContact CG-CZ 3.49Å; M499-F503 PolarHBondContact O-N 3.45Å; M499-F503 HydrophobicContact SD-CE2 4.15Å; M499-F503 HydrophobicContact SD-CZ 3.79Å; M499-N539 PolarHBondContact SD-ND2 3.1Å; M499-N539 VanDerWaalsContact SD-ND2 3.35Å
500	T	96.1	Very high	94.6	Very high	1 Å²	1	37 Å²	37	1%	0.006	19%	0.194	C	C	.	.	H	α-helix	trans	-58.1	-36.9	171.5	-53.2	0	0	0	0	111.8	L451 R459 M489 L496 H497 R498 L502 F503 C504	L451-T500 HydrophobicContact CB-CG2 4.18Å; L451-T500 HydrophobicContact CD2-CG2 4.24Å; L451-T500 WeakPolarHBondContact O-CG2 3.5Å; L451-T500 PolarHBondContact O-OG1 2.7Å; R459-T500 HydrophobicContact CB-CG2 4.45Å; R459-T500 WeakPolarHBondContact CD-OG1 3.36Å; M489-T500 HydrophobicContact CE-CG2 4.39Å; L496-T500 PolarHBondContact O-N 3.23Å; L496-T500 PolarHBondContact O-OG1 2.87Å; L496-T500 VanDerWaalsContact O-OG1 3.07Å; H497-T500 WeakPolarHBondContact O-CB 3.48Å; H497-T500 PolarHBondContact O-N 3.25Å; H497-T500 VanDerWaalsContact O-N 3.1Å; R498-T500 VanDerWaalsContact C-N 3.33Å; R498-T500 PolarHBondContact O-N 3.09Å; T500-L502 VanDerWaalsContact C-N 3.27Å; T500-L502 PolarHBondContact O-N 3.48Å; T500-F503 PolarHBondContact O-N 3.07Å; T500-F503 VanDerWaalsContact O-N 3.13Å; T500-C504 PolarHBondContact O-N 3.05Å; T500-C504 PolarHBondContact O-SG 2.99Å; T500-C504 VanDerWaalsContact O-SG 3.38Å
501	T	97	Very high	94.4	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-54.8	-44	174.1	-51.6	0	0	0	0	112.1	V486 M489 A490 H497 R498 M499 C504 I505 M528	V486-T501 HydrophobicContact CG1-CG2 4.16Å; V486-T501 VanDerWaalsContact O-CG2 3.28Å; V486-T501 WeakPolarHBondContact O-CG2 3.41Å; V486-T501 PolarHBondContact O-OG1 2.75Å; M489-T501 VanDerWaalsContact C-OG1 3.31Å; M489-T501 VanDerWaalsContact CB-OG1 3.27Å; M489-T501 WeakPolarHBondContact CB-OG1 3.24Å; A490-T501 HydrophobicContact CB-CG2 4.15Å; A490-T501 PolarHBondContact N-OG1 3.1Å; H497-T501 PolarHBondContact O-N 3.41Å; H497-T501 VanDerWaalsContact O-N 3.1Å; H497-T501 PolarHBondContact O-OG1 2.84Å; R498-T501 WeakPolarHBondContact O-CB 3.27Å; R498-T501 PolarHBondContact O-N 2.79Å; R498-T501 VanDerWaalsContact O-N 3.11Å; R498-T501 PolarHBondContact O-OG1 3.21Å; M499-T501 PolarHBondContact O-N 3.39Å; T501-C504 PolarHBondContact O-N 2.69Å; T501-I505 HydrophobicContact CG2-CD1 4Å; T501-I505 VanDerWaalsContact O-CG1 3.29Å; T501-I505 WeakPolarHBondContact O-CG1 3.46Å; T501-I505 PolarHBondContact O-N 3.26Å; T501-M528 HydrophobicContact CG2-SD 4.48Å
502	L	96.8	Very high	94.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-65.3	-41	178.4	-65.5	174.2	0	0	0	111.4	R498 M499 T500 I505 N506 V525 M528 V536 N539 V540 S543	R498-L502 PolarHBondContact O-N 3.28Å; M499-L502 WeakPolarHBondContact O-CB 3.5Å; M499-L502 PolarHBondContact O-N 3.14Å; M499-L502 VanDerWaalsContact O-N 3.09Å; T500-L502 VanDerWaalsContact C-N 3.27Å; T500-L502 PolarHBondContact O-N 3.48Å; L502-I505 PolarHBondContact O-N 3.07Å; L502-N506 PolarHBondContact O-N 2.88Å; L502-N506 PolarHBondContact O-ND2 2.65Å; L502-N506 PolarHBondContact O-OD1 3.09Å; L502-N506 VanDerWaalsContact O-OD1 3.14Å; L502-V525 HydrophobicContact CD2-CG1 4.34Å; L502-V525 HydrophobicContact CD2-CG2 4.31Å; L502-M528 HydrophobicContact CD1-CE 3.98Å; L502-M528 HydrophobicContact CD2-CE 4Å; L502-M528 HydrophobicContact CD2-SD 3.84Å; L502-M528 HydrophobicContact CG-CE 3.73Å; L502-M528 HydrophobicContact CG-SD 4.18Å; L502-V536 HydrophobicContact CD1-CG1 4.19Å; L502-N539 HydrophobicContact CD1-CB 3.67Å; L502-V540 HydrophobicContact CD1-CG2 3.87Å; L502-V540 HydrophobicContact CD2-CG2 4.01Å; L502-S543 PolarHBondContact O-OG 3.01Å
503	F	95.9	Very high	94.1	Very high	48 Å²	48	32.5 Å²	32.5	21%	0.211	18%	0.18	C	C	.	.	H	α-helix	trans	-65.7	-40.7	176	-58.5	-26.6	0	0	0	112.4	Y456 T463 M499 T500 N506 A507	Y456-F503 AromaticContact CE2-CE2 3.98Å; Y456-F503 HydrophobicContact CE2-CE2 3.98Å; T463-F503 HydrophobicContact CG2-CB 4.27Å; T463-F503 WeakPolarHBondContact CG2-O 3.38Å; M499-F503 HydrophobicContact CE-CE2 3.89Å; M499-F503 HydrophobicContact CE-CZ 4.1Å; M499-F503 HydrophobicContact CG-CD2 4.46Å; M499-F503 HydrophobicContact CG-CE1 4.12Å; M499-F503 HydrophobicContact CG-CE2 3.69Å; M499-F503 HydrophobicContact CG-CZ 3.49Å; M499-F503 VanDerWaalsContact CG-CZ 3.49Å; M499-F503 PolarHBondContact O-N 3.45Å; M499-F503 HydrophobicContact SD-CE2 4.15Å; M499-F503 HydrophobicContact SD-CZ 3.79Å; T500-F503 PolarHBondContact O-N 3.07Å; T500-F503 VanDerWaalsContact O-N 3.13Å; F503-N506 WeakPolarHBondContact O-CB 3.27Å; F503-N506 PolarHBondContact O-N 3.47Å; F503-A507 PolarHBondContact O-N 2.87Å
504	C	96.3	Very high	94.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-61.2	-44.5	172.5	-69.1	0	0	0	0	111.9	V486 T500 T501 N506 A507 L508	V486-C504 HydrophobicContact CG1-CB 3.42Å; V486-C504 VanDerWaalsContact CG1-CB 3.42Å; V486-C504 HydrophobicContact CG2-CB 4.23Å; T500-C504 PolarHBondContact O-N 3.05Å; T500-C504 PolarHBondContact O-SG 2.99Å; T500-C504 VanDerWaalsContact O-SG 3.38Å; T501-C504 PolarHBondContact O-N 2.69Å; C504-N506 VanDerWaalsContact C-N 3.32Å; C504-N506 PolarHBondContact O-N 3.15Å; C504-A507 PolarHBondContact O-N 3.34Å; C504-L508 HydrophobicContact CB-CD1 4.46Å; C504-L508 VanDerWaalsContact O-CB 3.23Å; C504-L508 WeakPolarHBondContact O-CB 3.46Å; C504-L508 WeakPolarHBondContact O-CG 3.3Å; C504-L508 PolarHBondContact O-N 3.3Å
505	I	96.3	Very high	94	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-62	-42.4	176.8	-69.9	168.3	0	0	0	110.7	L487 T501 L502 A507 L508 S509 M521 V525 I547	L487-I505 HydrophobicContact CD2-CD1 3.8Å; L487-I505 HydrophobicContact CD2-CG1 4.19Å; T501-I505 HydrophobicContact CG2-CD1 4Å; T501-I505 VanDerWaalsContact O-CG1 3.29Å; T501-I505 WeakPolarHBondContact O-CG1 3.46Å; T501-I505 PolarHBondContact O-N 3.26Å; L502-I505 PolarHBondContact O-N 3.07Å; I505-A507 VanDerWaalsContact C-N 3.33Å; I505-A507 PolarHBondContact O-N 3.18Å; I505-L508 PolarHBondContact O-N 3.31Å; I505-S509 VanDerWaalsContact O-CB 3.27Å; I505-S509 WeakPolarHBondContact O-CB 3.36Å; I505-S509 PolarHBondContact O-N 2.93Å; I505-M521 HydrophobicContact CD1-CB 4.47Å; I505-M521 HydrophobicContact CG1-CB 4.25Å; I505-M521 HydrophobicContact CG1-CG 4.45Å; I505-M521 HydrophobicContact CG2-CB 3.95Å; I505-M521 HydrophobicContact CG2-SD 4.28Å; I505-V525 HydrophobicContact CB-CG2 4.5Å; I505-V525 HydrophobicContact CD1-CG2 3.65Å; I505-V525 HydrophobicContact CG2-CG2 3.83Å; I505-I547 HydrophobicContact CG2-CG2 4.19Å
506	N	94.9	Very high	93.9	Very high	27 Å²	27	31.1 Å²	31.1	14%	0.144	17%	0.165	C	C	.	.	H	α-helix	trans	-58.2	-46.6	177.3	-66.4	-10	0	0	0	111.5	L502 F503 C504 S509 S543 K546	L502-N506 PolarHBondContact O-N 2.88Å; L502-N506 PolarHBondContact O-ND2 2.65Å; L502-N506 PolarHBondContact O-OD1 3.09Å; L502-N506 VanDerWaalsContact O-OD1 3.14Å; F503-N506 WeakPolarHBondContact O-CB 3.27Å; F503-N506 PolarHBondContact O-N 3.47Å; C504-N506 VanDerWaalsContact C-N 3.32Å; C504-N506 PolarHBondContact O-N 3.15Å; N506-S509 PolarHBondContact O-OG 2.57Å; N506-S543 VanDerWaalsContact CG-OG 3.26Å; N506-S543 PolarHBondContact ND2-OG 2.98Å; N506-S543 VanDerWaalsContact ND2-OG 3.11Å; N506-S543 WeakPolarHBondContact OD1-CA 3.47Å; N506-S543 WeakPolarHBondContact OD1-CB 3.47Å; N506-S543 PolarHBondContact OD1-OG 2.9Å; N506-K546 HydrophobicContact CB-CG 4.08Å
507	A	93.1	Very high	93.9	Very high	28 Å²	28	28.9 Å²	28.9	23%	0.231	15%	0.153	C	C	.	.	H	α-helix	trans	-71.8	-40.3	-178.7	0	0	0	0	0	112.7	T463 T467 F503 C504 I505	T463-A507 HydrophobicContact CG2-CB 3.77Å; T467-A507 WeakPolarHBondContact OG1-CB 3.41Å; F503-A507 PolarHBondContact O-N 2.87Å; C504-A507 PolarHBondContact O-N 3.34Å; I505-A507 VanDerWaalsContact C-N 3.33Å; I505-A507 PolarHBondContact O-N 3.18Å
508	L	94.1	Very high	93.9	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-78.4	-22.9	-177.2	-67.9	173.8	0	0	0	113.8	L466 V470 I482 V486 C504 I505 E510 A511 C512 M521	L466-L508 HydrophobicContact CB-CD2 4.09Å; L466-L508 HydrophobicContact CD1-CD1 4.44Å; V470-L508 HydrophobicContact CG2-CD2 3.56Å; I482-L508 HydrophobicContact CG2-CD1 4.33Å; V486-L508 HydrophobicContact CG2-CD1 4.34Å; C504-L508 HydrophobicContact CB-CD1 4.46Å; C504-L508 VanDerWaalsContact O-CB 3.23Å; C504-L508 WeakPolarHBondContact O-CB 3.46Å; C504-L508 WeakPolarHBondContact O-CG 3.3Å; C504-L508 PolarHBondContact O-N 3.3Å; I505-L508 PolarHBondContact O-N 3.31Å; L508-E510 VanDerWaalsContact C-N 3.32Å; L508-E510 PolarHBondContact O-N 2.99Å; L508-A511 PolarHBondContact O-N 3.46Å; L508-C512 WeakPolarHBondContact O-CB 3.5Å; L508-C512 PolarHBondContact O-N 3.4Å; L508-M521 HydrophobicContact CB-CE 3.73Å; L508-M521 HydrophobicContact CB-SD 4.41Å; L508-M521 HydrophobicContact CD1-CE 4.39Å
509	S	93.5	Very high	93.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-56.6	-43.4	-174.7	61.7	0	0	0	0	113.2	I505 N506 G513 T517	I505-S509 VanDerWaalsContact O-CB 3.27Å; I505-S509 WeakPolarHBondContact O-CB 3.36Å; I505-S509 PolarHBondContact O-N 2.93Å; N506-S509 PolarHBondContact O-OG 2.57Å; S509-G513 PolarHBondContact O-N 3.17Å; S509-T517 WeakPolarHBondContact CA-OG1 3.43Å; S509-T517 PolarHBondContact O-OG1 3.44Å
510	E	87.4	Confident	93.7	Very high	123 Å²	123	36.1 Å²	36.1	58%	0.575	19%	0.187	S	C	*	.	H	α-helix	trans	-69.5	-42.9	178.2	-67	176.7	-161	0	0	111.2	L508 K546 V550	L508-E510 VanDerWaalsContact C-N 3.32Å; L508-E510 PolarHBondContact O-N 2.99Å; E510-K546 WeakPolarHBondContact OE1-CE 3.48Å; E510-K546 IonicContact OE1-NZ 3.76Å; E510-K546 PolarHBondContact OE1-NZ 2.79Å; E510-V550 HydrophobicContact CG-CG2 4.17Å
511	A	89.4	Confident	93.7	Very high	30 Å²	30	36.2 Å²	36.2	25%	0.248	19%	0.187	C	C	.	.	H	α-helix	trans	-75	-31.9	-176.1	0	0	0	0	0	114.1	T467 V470 L508	T467-A511 HydrophobicContact CG2-CB 4.11Å; V470-A511 HydrophobicContact CB-CB 4.16Å; V470-A511 HydrophobicContact CG1-CB 3.81Å; L508-A511 PolarHBondContact O-N 3.46Å
512	C	92.3	Very high	93.6	Very high	7 Å²	7	36.2 Å²	36.2	5%	0.047	19%	0.187	C	C	.	.	H	α-helix	trans	-86.9	-14.4	179.3	-69.5	0	0	0	0	113.3	L508 I516 M521	L508-C512 WeakPolarHBondContact O-CB 3.5Å; L508-C512 PolarHBondContact O-N 3.4Å; C512-I516 HydrophobicContact CB-CB 4.15Å; C512-I516 HydrophobicContact CB-CD1 4.34Å; C512-I516 HydrophobicContact CB-CG2 4.03Å; C512-I516 WeakPolarHBondContact O-CD1 3.31Å; C512-M521 HydrophobicContact CB-CE 3.98Å
513	G	91	Very high	93.6	Very high	28 Å²	28	39.1 Å²	39.1	29%	0.289	21%	0.206	S	C	.	.	H	α-helix	trans	77.8	174.7	179.5	0	0	0	0	0	115	S509 E515 T517	S509-G513 PolarHBondContact O-N 3.17Å; G513-E515 PolarHBondContact O-N 3.1Å; G513-T517 VanDerWaalsContact O-CB 3.29Å; G513-T517 WeakPolarHBondContact O-CB 3.19Å; G513-T517 PolarHBondContact O-N 3.04Å; G513-T517 PolarHBondContact O-OG1 3.14Å
514	Q	93.2	Very high	93.7	Very high	98 Å²	98	38 Å²	38	46%	0.458	20%	0.203	S	C	.	.	H	α-helix	trans	-62.9	-43.2	-169.2	177.1	171.9	71.4	0	0	114	T518 V550 L551	Q514-T518 VanDerWaalsContact O-CB 3.29Å; Q514-T518 WeakPolarHBondContact O-CB 3.5Å; Q514-T518 PolarHBondContact O-N 2.89Å; Q514-T518 PolarHBondContact O-OG1 3.11Å; Q514-V550 HydrophobicContact CB-CG1 4.44Å; Q514-V550 WeakPolarHBondContact CB-O 3.44Å; Q514-V550 WeakPolarHBondContact CG-O 3.33Å; Q514-V550 PolarHBondContact NE2-O 3.18Å; Q514-L551 VanDerWaalsContact NE2-C 3.31Å; Q514-L551 PolarHBondContact NE2-O 3.18Å
515	E	91.9	Very high	93.7	Very high	128 Å²	128	38 Å²	38	60%	0.598	20%	0.203	S	C	*	.	H	α-helix	trans	-65.7	-49.1	-173.5	-176.5	173.7	-173.2	0	0	112.1	G513 T518 K519	G513-E515 PolarHBondContact O-N 3.1Å; E515-T518 PolarHBondContact O-N 3.44Å; E515-K519 HydrophobicContact CG-CD 3.93Å; E515-K519 WeakPolarHBondContact O-CB 3.31Å; E515-K519 WeakPolarHBondContact O-CG 3.22Å; E515-K519 PolarHBondContact O-N 3.34Å; E515-K519 IonicContact OE1-NZ 3.98Å; E515-K519 PolarHBondContact OE1-NZ 3.1Å
516	I	92.6	Very high	93.7	Very high	15 Å²	15	39.2 Å²	39.2	8%	0.077	21%	0.21	C	C	.	.	H	α-helix	trans	-65.6	-43.6	179.3	-65.6	165.2	0	0	0	110.1	A475 Q479 V483 C512 T518 Q520 M521	A475-I516 HydrophobicContact CB-CD1 3.97Å; Q479-I516 HydrophobicContact CB-CD1 3.91Å; Q479-I516 HydrophobicContact CB-CG1 4.35Å; Q479-I516 HydrophobicContact CB-CG2 4.46Å; Q479-I516 HydrophobicContact CG-CD1 4.38Å; Q479-I516 HydrophobicContact CG-CG1 4.29Å; Q479-I516 HydrophobicContact CG-CG2 4.42Å; V483-I516 HydrophobicContact CG2-CG2 4.47Å; C512-I516 HydrophobicContact CB-CB 4.15Å; C512-I516 HydrophobicContact CB-CD1 4.34Å; C512-I516 HydrophobicContact CB-CG2 4.03Å; C512-I516 WeakPolarHBondContact O-CD1 3.31Å; I516-T518 PolarHBondContact O-N 2.83Å; I516-Q520 WeakPolarHBondContact O-CB 3.36Å; I516-Q520 PolarHBondContact O-N 3.14Å; I516-M521 HydrophobicContact CG2-CE 4.22Å
517	T	94.8	Very high	93.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.228	C	C	.	.	I	π-helix	trans	-59.8	-46.9	178.9	-59	0	0	0	0	111.3	S509 G513 M521 L522 V550 L551	S509-T517 WeakPolarHBondContact CA-OG1 3.43Å; S509-T517 PolarHBondContact O-OG1 3.44Å; G513-T517 VanDerWaalsContact O-CB 3.29Å; G513-T517 WeakPolarHBondContact O-CB 3.19Å; G513-T517 PolarHBondContact O-N 3.04Å; G513-T517 PolarHBondContact O-OG1 3.14Å; T517-M521 WeakPolarHBondContact O-CB 3.5Å; T517-M521 PolarHBondContact O-N 2.83Å; T517-L522 WeakPolarHBondContact O-CB 3.18Å; T517-L522 PolarHBondContact O-N 3.33Å; T517-V550 HydrophobicContact CG2-CG1 4.47Å; T517-L551 HydrophobicContact CG2-CD2 3.94Å
518	T	93.7	Very high	94	Very high	24 Å²	24	42.7 Å²	42.7	15%	0.147	22%	0.219	C	C	.	.	I	π-helix	trans	-70.5	-44.6	-178.2	-52.4	0	0	0	0	111.8	Q514 E515 I516 L522 L551 A555	Q514-T518 VanDerWaalsContact O-CB 3.29Å; Q514-T518 WeakPolarHBondContact O-CB 3.5Å; Q514-T518 PolarHBondContact O-N 2.89Å; Q514-T518 PolarHBondContact O-OG1 3.11Å; E515-T518 PolarHBondContact O-N 3.44Å; I516-T518 PolarHBondContact O-N 2.83Å; T518-L522 HydrophobicContact CG2-CD2 4.47Å; T518-L551 WeakPolarHBondContact OG1-CD2 3.45Å; T518-A555 HydrophobicContact CG2-CB 4.11Å
519	K	93.1	Very high	94.1	Very high	141 Å²	141	43 Å²	43	61%	0.613	22%	0.22	S	C	*	.	I	π-helix	trans	-80.6	-32	-173.1	-69.8	-178.7	179.5	173.2	0	114.4	E515	E515-K519 HydrophobicContact CG-CD 3.93Å; E515-K519 WeakPolarHBondContact O-CB 3.31Å; E515-K519 WeakPolarHBondContact O-CG 3.22Å; E515-K519 PolarHBondContact O-N 3.34Å; E515-K519 IonicContact OE1-NZ 3.98Å; E515-K519 PolarHBondContact OE1-NZ 3.1Å
520	Q	93.9	Very high	94.2	Very high	59 Å²	59	47.1 Å²	47.1	28%	0.276	24%	0.243	S	C	.	.	I	π-helix	trans	-114.7	-44.4	-172.4	-59.1	-162.2	10.9	0	0	113.8	Q479 V483 L487 I516	Q479-Q520 VanDerWaalsContact CG-NE2 3.3Å; V483-Q520 HydrophobicContact CG1-CB 4.25Å; L487-Q520 HydrophobicContact CD1-CB 4.37Å; L487-Q520 WeakPolarHBondContact CD1-O 3.44Å; I516-Q520 WeakPolarHBondContact O-CB 3.36Å; I516-Q520 PolarHBondContact O-N 3.14Å
521	M	95.6	Very high	94.7	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.01	22%	0.221	C	C	.	.	I	π-helix	trans	-82.8	-46.9	-173	-59.2	177.8	-179.2	0	0	112.3	V483 I505 L508 C512 I516 T517 V524 V525	V483-M521 HydrophobicContact CG1-CE 4.48Å; V483-M521 HydrophobicContact CG1-CG 4.47Å; V483-M521 HydrophobicContact CG2-CE 3.58Å; I505-M521 HydrophobicContact CD1-CB 4.47Å; I505-M521 HydrophobicContact CG1-CB 4.25Å; I505-M521 HydrophobicContact CG1-CG 4.45Å; I505-M521 HydrophobicContact CG2-CB 3.95Å; I505-M521 HydrophobicContact CG2-SD 4.28Å; L508-M521 HydrophobicContact CB-CE 3.73Å; L508-M521 HydrophobicContact CB-SD 4.41Å; L508-M521 HydrophobicContact CD1-CE 4.39Å; C512-M521 HydrophobicContact CB-CE 3.98Å; I516-M521 HydrophobicContact CG2-CE 4.22Å; T517-M521 WeakPolarHBondContact O-CB 3.5Å; T517-M521 PolarHBondContact O-N 2.83Å; M521-V524 PolarHBondContact O-N 3.03Å; M521-V524 VanDerWaalsContact O-N 3.1Å; M521-V525 PolarHBondContact O-N 3.27Å
522	L	96.3	Very high	94.9	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-54.3	-46.1	-177.8	176.6	63.9	0	0	0	113.2	T517 T518 V524 V525 L526 L544 I547 L551 A555 V560	T517-L522 WeakPolarHBondContact O-CB 3.18Å; T517-L522 PolarHBondContact O-N 3.33Å; T518-L522 HydrophobicContact CG2-CD2 4.47Å; L522-V524 PolarHBondContact O-N 3.47Å; L522-V524 VanDerWaalsContact O-N 3.13Å; L522-V525 PolarHBondContact O-N 2.79Å; L522-V525 VanDerWaalsContact O-N 3.08Å; L522-L526 HydrophobicContact CD1-CD1 4.09Å; L522-L526 HydrophobicContact CD1-CD2 4.04Å; L522-L526 HydrophobicContact CD1-CG 3.87Å; L522-L526 HydrophobicContact CG-CD1 3.9Å; L522-L526 HydrophobicContact CG-CG 4.16Å; L522-L526 WeakPolarHBondContact O-CG 3.25Å; L522-L526 PolarHBondContact O-N 3.36Å; L522-L544 HydrophobicContact CD1-CD2 3.89Å; L522-I547 HydrophobicContact CD1-CD1 4.27Å; L522-L551 HydrophobicContact CD1-CD1 4.04Å; L522-L551 HydrophobicContact CD2-CD1 4.06Å; L522-L551 HydrophobicContact CD2-CD2 4.14Å; L522-A555 HydrophobicContact CD2-CB 4.2Å; L522-V560 HydrophobicContact CD1-CG2 3.99Å; L522-V560 HydrophobicContact CD2-CG2 4.5Å
523	P	96.7	Very high	95.1	Very high	61 Å²	61	51.2 Å²	51.2	40%	0.396	26%	0.26	S	S	.	.	H	α-helix	trans	-56.4	-33.8	179	-27.7	36.2	0	0	0	113.8	K527	P523-K527 WeakPolarHBondContact O-CB 3.28Å; P523-K527 PolarHBondContact O-N 3.46Å
524	V	96.9	Very high	95.4	Very high	25 Å²	25	50.8 Å²	50.8	15%	0.152	25%	0.253	C	S	.	.	H	α-helix	trans	-74.1	-42.5	178.2	179.1	0	0	0	0	111	L487 A490 M521 L522 L526 K527 M528	L487-V524 HydrophobicContact CB-CG2 4.2Å; L487-V524 HydrophobicContact CD1-CG2 4.03Å; L487-V524 HydrophobicContact CD2-CB 3.95Å; L487-V524 HydrophobicContact CD2-CG1 4.16Å; L487-V524 HydrophobicContact CD2-CG2 3.87Å; L487-V524 HydrophobicContact CG-CG2 4.23Å; A490-V524 HydrophobicContact CB-CG1 3.57Å; M521-V524 PolarHBondContact O-N 3.03Å; M521-V524 VanDerWaalsContact O-N 3.1Å; L522-V524 PolarHBondContact O-N 3.47Å; L522-V524 VanDerWaalsContact O-N 3.13Å; V524-L526 VanDerWaalsContact C-N 3.31Å; V524-L526 PolarHBondContact O-N 3.41Å; V524-K527 WeakPolarHBondContact O-CB 3.36Å; V524-K527 PolarHBondContact O-N 3.12Å; V524-M528 HydrophobicContact CG1-CG 4.43Å; V524-M528 HydrophobicContact CG1-SD 4.07Å; V524-M528 VanDerWaalsContact O-CG 3.26Å; V524-M528 WeakPolarHBondContact O-CG 3.46Å; V524-M528 PolarHBondContact O-N 3.44Å
525	V	97.3	Very high	95.5	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-57.7	-46.1	174.1	-179.5	0	0	0	0	110.6	L502 I505 M521 L522 K527 M528 S529 V540 L544 I547	L502-V525 HydrophobicContact CD2-CG1 4.34Å; L502-V525 HydrophobicContact CD2-CG2 4.31Å; I505-V525 HydrophobicContact CB-CG2 4.5Å; I505-V525 HydrophobicContact CD1-CG2 3.65Å; I505-V525 HydrophobicContact CG2-CG2 3.83Å; M521-V525 PolarHBondContact O-N 3.27Å; L522-V525 PolarHBondContact O-N 2.79Å; L522-V525 VanDerWaalsContact O-N 3.08Å; V525-K527 PolarHBondContact O-N 3.36Å; V525-M528 PolarHBondContact O-N 2.94Å; V525-S529 PolarHBondContact O-N 3.04Å; V525-V540 HydrophobicContact CG1-CG1 3.92Å; V525-V540 WeakPolarHBondContact O-CG1 3.42Å; V525-L544 HydrophobicContact CB-CD2 4.49Å; V525-L544 HydrophobicContact CG1-CD2 3.64Å; V525-L544 HydrophobicContact CG1-CG 3.84Å; V525-I547 HydrophobicContact CG2-CD1 4.36Å
526	L	96.8	Very high	95.7	Very high	26 Å²	26	43.2 Å²	43.2	14%	0.136	22%	0.22	C	C	.	.	H	α-helix	trans	-63.9	-41.2	177.8	-60.2	174.6	0	0	0	111.7	L522 V524 M528 S529 L544 E559 V563	L522-L526 HydrophobicContact CD1-CD1 4.09Å; L522-L526 HydrophobicContact CD1-CD2 4.04Å; L522-L526 HydrophobicContact CD1-CG 3.87Å; L522-L526 HydrophobicContact CG-CD1 3.9Å; L522-L526 HydrophobicContact CG-CG 4.16Å; L522-L526 WeakPolarHBondContact O-CG 3.25Å; L522-L526 PolarHBondContact O-N 3.36Å; V524-L526 VanDerWaalsContact C-N 3.31Å; V524-L526 PolarHBondContact O-N 3.41Å; L526-M528 VanDerWaalsContact C-N 3.32Å; L526-M528 PolarHBondContact O-N 3.31Å; L526-S529 VanDerWaalsContact O-CB 3.3Å; L526-S529 WeakPolarHBondContact O-CB 3.43Å; L526-S529 PolarHBondContact O-N 2.87Å; L526-S529 PolarHBondContact O-OG 3.08Å; L526-L544 HydrophobicContact CD2-CD1 4.49Å; L526-L544 HydrophobicContact CD2-CD2 4.07Å; L526-E559 HydrophobicContact CD1-CB 3.92Å; L526-V563 HydrophobicContact CD2-CB 4.01Å; L526-V563 HydrophobicContact CD2-CG1 4.24Å; L526-V563 HydrophobicContact CD2-CG2 3.74Å
527	K	96.7	Very high	95.9	Very high	122 Å²	122	44 Å²	44	53%	0.53	22%	0.222	S	C	.	.	H	α-helix	trans	-58.6	-44.2	174.7	-177.2	-170.2	177.3	-168.5	0	111.5	N491 P523 V524 V525 S529 N530	N491-K527 PolarHBondContact OD1-NZ 3.01Å; P523-K527 WeakPolarHBondContact O-CB 3.28Å; P523-K527 PolarHBondContact O-N 3.46Å; V524-K527 WeakPolarHBondContact O-CB 3.36Å; V524-K527 PolarHBondContact O-N 3.12Å; V525-K527 PolarHBondContact O-N 3.36Å; K527-S529 PolarHBondContact O-N 3.29Å; K527-N530 PolarHBondContact O-N 3.35Å; K527-N530 PolarHBondContact O-ND2 3Å
528	M	97	Very high	96	Very high	7 Å²	7	45.1 Å²	45.1	3%	0.034	23%	0.227	C	C	.	.	H	α-helix	trans	-67.4	-13.8	-178.2	-69.6	178.6	70.8	0	0	113.8	A490 R498 T501 L502 V524 V525 L526 N530 D531 V536 V540	A490-M528 HydrophobicContact CB-CG 4.23Å; A490-M528 HydrophobicContact CB-SD 3.68Å; R498-M528 HydrophobicContact CB-CE 4Å; R498-M528 WeakPolarHBondContact O-CE 3.25Å; T501-M528 HydrophobicContact CG2-SD 4.48Å; L502-M528 HydrophobicContact CD1-CE 3.98Å; L502-M528 HydrophobicContact CD2-CE 4Å; L502-M528 HydrophobicContact CD2-SD 3.84Å; L502-M528 HydrophobicContact CG-CE 3.73Å; L502-M528 HydrophobicContact CG-SD 4.18Å; V524-M528 HydrophobicContact CG1-CG 4.43Å; V524-M528 HydrophobicContact CG1-SD 4.07Å; V524-M528 VanDerWaalsContact O-CG 3.26Å; V524-M528 WeakPolarHBondContact O-CG 3.46Å; V524-M528 PolarHBondContact O-N 3.44Å; V525-M528 PolarHBondContact O-N 2.94Å; L526-M528 VanDerWaalsContact C-N 3.32Å; L526-M528 PolarHBondContact O-N 3.31Å; M528-N530 PolarHBondContact O-N 3.37Å; M528-N530 VanDerWaalsContact O-N 3.07Å; M528-D531 WeakPolarHBondContact O-CB 3.43Å; M528-D531 PolarHBondContact O-N 3.16Å; M528-V536 HydrophobicContact CB-CG1 4.5Å; M528-V536 HydrophobicContact CE-CG1 3.6Å; M528-V540 HydrophobicContact CB-CG2 3.7Å
529	S	96.4	Very high	96.2	Very high	6 Å²	6	44.5 Å²	44.5	4%	0.042	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-19.4	170.9	69.8	0	0	0	0	113.4	V525 L526 K527 R537	V525-S529 PolarHBondContact O-N 3.04Å; L526-S529 VanDerWaalsContact O-CB 3.3Å; L526-S529 WeakPolarHBondContact O-CB 3.43Å; L526-S529 PolarHBondContact O-N 2.87Å; L526-S529 PolarHBondContact O-OG 3.08Å; K527-S529 PolarHBondContact O-N 3.29Å; S529-R537 VanDerWaalsContact O-CD 3.26Å; S529-R537 WeakPolarHBondContact O-CD 3.44Å
530	N	95.5	Very high	96.5	Very high	87 Å²	87	37.8 Å²	37.8	47%	0.465	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	12.9	178.3	-54.5	-71.5	0	0	0	113.5	K527 M528 K566	K527-N530 PolarHBondContact O-N 3.35Å; K527-N530 PolarHBondContact O-ND2 3Å; M528-N530 PolarHBondContact O-N 3.37Å; M528-N530 VanDerWaalsContact O-N 3.07Å; N530-K566 PolarHBondContact OD1-NZ 3.15Å
531	D	97.1	Very high	96.6	Very high	23 Å²	23	35 Å²	35	12%	0.123	18%	0.181	C	C	.	.			trans	-61.4	143.5	178.8	-159.5	-69.5	0	0	0	111.4	R498 M528 V533 V536 R537	R498-D531 IonicContact CZ-OD1 3.84Å; R498-D531 IonicContact CZ-OD2 2.75Å; R498-D531 IonicContact NE-OD1 3.02Å; R498-D531 IonicContact NE-OD2 2.78Å; R498-D531 PolarHBondContact NE-OD2 3.38Å; R498-D531 IonicContact NH2-OD1 3.88Å; R498-D531 PolarHBondContact NH2-OD1 3.29Å; R498-D531 IonicContact NH2-OD2 2.92Å; R498-D531 PolarHBondContact NH2-OD2 2.96Å; M528-D531 WeakPolarHBondContact O-CB 3.43Å; M528-D531 PolarHBondContact O-N 3.16Å; D531-V533 PolarHBondContact O-N 3.4Å; D531-V533 WeakPolarHBondContact OD1-CB 3.46Å; D531-V533 PolarHBondContact OD1-N 3.44Å; D531-V536 HydrophobicContact CB-CB 3.78Å; D531-V536 HydrophobicContact CB-CG1 3.64Å; D531-R537 HydrophobicContact CB-CG 4.27Å; D531-R537 WeakPolarHBondContact O-CD 3.43Å; D531-R537 VanDerWaalsContact O-CG 3.31Å; D531-R537 WeakPolarHBondContact O-CG 3.42Å; D531-R537 PolarHBondContact O-NH1 3.1Å
532	Q	95	Very high	96.7	Very high	176 Å²	176	38.2 Å²	38.2	82%	0.822	20%	0.195	S	C	*	.	S	Bend	trans	-67.5	-26.5	179.5	-59.4	-58.3	-57.5	0	0	111.9	R537	Q532-R537 PolarHBondContact O-NH1 3.5Å; Q532-R537 VanDerWaalsContact O-NH1 3.09Å
533	V	96.6	Very high	96.8	Very high	47 Å²	47	38.2 Å²	38.2	29%	0.285	20%	0.195	S	C	.	.	S	Bend	trans	-90.2	121	-177.5	-176.8	0	0	0	0	110.5	Y495 D531 N535 V536 R537	Y495-V533 HydrophobicContact CD2-CG1 4.11Å; Y495-V533 HydrophobicContact CG-CG1 4.17Å; D531-V533 PolarHBondContact O-N 3.4Å; D531-V533 WeakPolarHBondContact OD1-CB 3.46Å; D531-V533 PolarHBondContact OD1-N 3.44Å; V533-N535 HydrophobicContact CG1-CB 4.03Å; V533-N535 PolarHBondContact O-N 2.88Å; V533-V536 HydrophobicContact CB-CG2 4.12Å; V533-V536 HydrophobicContact CG1-CG2 4.42Å; V533-V536 PolarHBondContact O-N 2.97Å; V533-R537 PolarHBondContact O-N 3.21Å
534	A	96.1	Very high	96.8	Very high	19 Å²	19	35.3 Å²	35.3	16%	0.157	18%	0.176	C	C	.	.	H	α-helix	trans	-55.8	-38.2	178.9	0	0	0	0	0	112.7	V536 R537 F538 D572 V575	A534-V536 PolarHBondContact O-N 3.37Å; A534-R537 PolarHBondContact O-N 3.22Å; A534-F538 WeakPolarHBondContact O-CD1 3.23Å; A534-F538 PolarHBondContact O-N 3.26Å; A534-D572 HydrophobicContact CB-CB 4.04Å; A534-D572 WeakPolarHBondContact CB-OD2 3.37Å; A534-V575 HydrophobicContact CB-CG2 4.24Å
535	N	95.4	Very high	96.8	Very high	68 Å²	68	36.2 Å²	36.2	36%	0.364	18%	0.179	S	C	.	.	H	α-helix	trans	-57.5	-35.5	176	-70.8	19.3	0	0	0	114	Y495 V533 F538 N539	Y495-N535 HydrophobicContact CE2-CB 4.45Å; V533-N535 HydrophobicContact CG1-CB 4.03Å; V533-N535 PolarHBondContact O-N 2.88Å; N535-F538 HydrophobicContact CB-CE1 3.94Å; N535-F538 HydrophobicContact CB-CZ 4.2Å; N535-F538 WeakPolarHBondContact OD1-CE1 3.4Å; N535-N539 WeakPolarHBondContact O-CB 3.45Å; N535-N539 PolarHBondContact O-N 3.01Å; N535-N539 PolarHBondContact O-ND2 3.47Å
536	V	96.5	Very high	96.7	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-72.2	-45.5	175.1	179.5	0	0	0	0	109.2	R498 L502 M528 D531 V533 A534 F538 N539 V540	R498-V536 HydrophobicContact CB-CG2 4.47Å; L502-V536 HydrophobicContact CD1-CG1 4.19Å; M528-V536 HydrophobicContact CB-CG1 4.5Å; M528-V536 HydrophobicContact CE-CG1 3.6Å; D531-V536 HydrophobicContact CB-CB 3.78Å; D531-V536 HydrophobicContact CB-CG1 3.64Å; V533-V536 HydrophobicContact CB-CG2 4.12Å; V533-V536 HydrophobicContact CG1-CG2 4.42Å; V533-V536 PolarHBondContact O-N 2.97Å; A534-V536 PolarHBondContact O-N 3.37Å; V536-F538 PolarHBondContact O-N 3.41Å; V536-N539 CarbonylContact O-C 3.59Å; V536-N539 PolarHBondContact O-N 3.15Å; V536-V540 WeakPolarHBondContact O-CG2 3.4Å; V536-V540 PolarHBondContact O-N 3.47Å
537	R	97.7	Very high	96.7	Very high	30 Å²	30	39.7 Å²	39.7	11%	0.113	19%	0.193	C	C	.	.	H	α-helix	trans	-61.6	-42.3	-178.4	-61.6	-160.1	-58.8	-77	0.1	113.8	S529 D531 Q532 V533 A534 N539 V540 A541 L567 D570 V575	S529-R537 VanDerWaalsContact O-CD 3.26Å; S529-R537 WeakPolarHBondContact O-CD 3.44Å; D531-R537 HydrophobicContact CB-CG 4.27Å; D531-R537 WeakPolarHBondContact O-CD 3.43Å; D531-R537 VanDerWaalsContact O-CG 3.31Å; D531-R537 WeakPolarHBondContact O-CG 3.42Å; D531-R537 PolarHBondContact O-NH1 3.1Å; Q532-R537 PolarHBondContact O-NH1 3.5Å; Q532-R537 VanDerWaalsContact O-NH1 3.09Å; V533-R537 PolarHBondContact O-N 3.21Å; A534-R537 PolarHBondContact O-N 3.22Å; R537-N539 VanDerWaalsContact C-N 3.33Å; R537-V540 WeakPolarHBondContact O-CB 3.34Å; R537-V540 PolarHBondContact O-N 3.22Å; R537-A541 PolarHBondContact O-N 3.16Å; R537-L567 HydrophobicContact CB-CD2 4.21Å; R537-D570 IonicContact CZ-OD1 3.13Å; R537-D570 IonicContact CZ-OD2 3.19Å; R537-D570 IonicContact NE-OD1 2.86Å; R537-D570 IonicContact NE-OD2 3.99Å; R537-D570 PolarHBondContact NE-OD2 3.12Å; R537-D570 IonicContact NH2-OD1 2.69Å; R537-D570 PolarHBondContact NH2-OD1 3.21Å; R537-D570 IonicContact NH2-OD2 2.94Å; R537-D570 PolarHBondContact NH2-OD2 3.31Å; R537-V575 HydrophobicContact CB-CG1 4.14Å; R537-V575 HydrophobicContact CB-CG2 3.93Å
538	F	96.9	Very high	96.5	Very high	24 Å²	24	34 Å²	34	11%	0.105	17%	0.168	C	C	.	.	H	α-helix	trans	-72.4	-30.5	177.1	76.6	-119.8	0	0	0	112	A534 N535 V536 V540 A541 K542 D574 V575 F578	A534-F538 WeakPolarHBondContact O-CD1 3.23Å; A534-F538 PolarHBondContact O-N 3.26Å; N535-F538 HydrophobicContact CB-CE1 3.94Å; N535-F538 HydrophobicContact CB-CZ 4.2Å; N535-F538 WeakPolarHBondContact OD1-CE1 3.4Å; V536-F538 PolarHBondContact O-N 3.41Å; F538-V540 VanDerWaalsContact C-N 3.28Å; F538-A541 WeakPolarHBondContact O-CB 3.48Å; F538-A541 PolarHBondContact O-N 3.31Å; F538-K542 HydrophobicContact CD2-CD 4.43Å; F538-K542 PolarHBondContact O-N 3.31Å; F538-K542 VanDerWaalsContact O-N 3.12Å; F538-D574 HydrophobicContact CD1-CB 3.97Å; F538-D574 HydrophobicContact CE1-CB 4.48Å; F538-D574 HydrophobicContact CG-CB 4.44Å; F538-V575 HydrophobicContact CB-CB 4.33Å; F538-V575 HydrophobicContact CB-CG2 3.89Å; F538-F578 HydrophobicContact CB-CD2 3.93Å; F538-F578 AromaticContact CD2-CD2 3.93Å; F538-F578 HydrophobicContact CD2-CD2 3.93Å; F538-F578 HydrophobicContact CD2-CE2 4.16Å; F538-F578 HydrophobicContact CG-CD2 4.09Å
539	N	97.5	Very high	96.4	Very high	12 Å²	12	38.8 Å²	38.8	6%	0.064	20%	0.2	C	C	.	.	H	α-helix	trans	-69.8	-27.4	172.3	-83.3	-66.4	0	0	0	111.7	M499 L502 N535 V536 R537 A541 K542 S543	M499-N539 PolarHBondContact SD-ND2 3.1Å; M499-N539 VanDerWaalsContact SD-ND2 3.35Å; L502-N539 HydrophobicContact CD1-CB 3.67Å; N535-N539 WeakPolarHBondContact O-CB 3.45Å; N535-N539 PolarHBondContact O-N 3.01Å; N535-N539 PolarHBondContact O-ND2 3.47Å; V536-N539 CarbonylContact O-C 3.59Å; V536-N539 PolarHBondContact O-N 3.15Å; R537-N539 VanDerWaalsContact C-N 3.33Å; N539-A541 VanDerWaalsContact C-N 3.34Å; N539-K542 PolarHBondContact O-N 3.27Å; N539-S543 WeakPolarHBondContact O-CB 3.4Å; N539-S543 PolarHBondContact O-N 3.38Å; N539-S543 PolarHBondContact O-OG 3.45Å
540	V	97.9	Very high	96.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.7	-44.9	168.9	169.1	0	0	0	0	110.4	L502 V525 M528 V536 R537 F538 K542 S543 L544 L567	L502-V540 HydrophobicContact CD1-CG2 3.87Å; L502-V540 HydrophobicContact CD2-CG2 4.01Å; V525-V540 HydrophobicContact CG1-CG1 3.92Å; V525-V540 WeakPolarHBondContact O-CG1 3.42Å; M528-V540 HydrophobicContact CB-CG2 3.7Å; V536-V540 WeakPolarHBondContact O-CG2 3.4Å; V536-V540 PolarHBondContact O-N 3.47Å; R537-V540 WeakPolarHBondContact O-CB 3.34Å; R537-V540 PolarHBondContact O-N 3.22Å; F538-V540 VanDerWaalsContact C-N 3.28Å; V540-K542 PolarHBondContact O-N 3.13Å; V540-S543 PolarHBondContact O-N 3.2Å; V540-L544 HydrophobicContact CG1-CD1 4Å; V540-L544 HydrophobicContact CG1-CG 4.34Å; V540-L544 WeakPolarHBondContact O-CG 3.33Å; V540-L544 PolarHBondContact O-N 3.49Å; V540-L567 HydrophobicContact CG1-CD1 4.12Å
541	A	97.4	Very high	96.2	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.1	-46.6	176.2	0	0	0	0	0	112.1	R537 F538 N539 S543 L544 Q545 L564 L567 F578 A579	R537-A541 PolarHBondContact O-N 3.16Å; F538-A541 WeakPolarHBondContact O-CB 3.48Å; F538-A541 PolarHBondContact O-N 3.31Å; N539-A541 VanDerWaalsContact C-N 3.34Å; A541-S543 VanDerWaalsContact C-N 3.33Å; A541-S543 PolarHBondContact O-N 3.33Å; A541-L544 PolarHBondContact O-N 3.33Å; A541-Q545 PolarHBondContact O-N 3.24Å; A541-L564 HydrophobicContact CB-CD2 4.18Å; A541-L567 HydrophobicContact CB-CD1 4.35Å; A541-F578 HydrophobicContact CB-CB 4.05Å; A541-A579 HydrophobicContact CB-CB 4.24Å
542	K	97.5	Very high	95.8	Very high	69 Å²	69	37.9 Å²	37.9	30%	0.3	20%	0.195	S	C	.	.	H	α-helix	trans	-59.9	-41.4	174.2	-68.4	-178.9	175.7	-177.7	0	112.7	F538 N539 V540 Q545 K546 F578	F538-K542 HydrophobicContact CD2-CD 4.43Å; F538-K542 PolarHBondContact O-N 3.31Å; F538-K542 VanDerWaalsContact O-N 3.12Å; N539-K542 PolarHBondContact O-N 3.27Å; V540-K542 PolarHBondContact O-N 3.13Å; K542-Q545 WeakPolarHBondContact O-CB 3.44Å; K542-Q545 PolarHBondContact O-N 3.31Å; K542-K546 WeakPolarHBondContact O-CB 3.25Å; K542-K546 PolarHBondContact O-N 3.39Å; K542-F578 HydrophobicContact CD-CD1 4.25Å; K542-F578 HydrophobicContact CD-CE1 4.4Å; K542-F578 HydrophobicContact CD-CG 4.46Å; K542-F578 VanDerWaalsContact CE-CE2 3.49Å; K542-F578 HydrophobicContact CG-CB 4.3Å; K542-F578 HydrophobicContact CG-CD1 3.94Å; K542-F578 HydrophobicContact CG-CG 4.07Å; K542-F578 VanDerWaalsContact NZ-CZ 3.3Å
543	S	97.3	Very high	95.6	Very high	1 Å²	1	34 Å²	34	1%	0.007	19%	0.188	C	C	.	.	H	α-helix	trans	-64.1	-46	177	-81.1	0	0	0	0	111.9	L502 N506 N539 V540 A541 Q545 K546 I547	L502-S543 PolarHBondContact O-OG 3.01Å; N506-S543 VanDerWaalsContact CG-OG 3.26Å; N506-S543 PolarHBondContact ND2-OG 2.98Å; N506-S543 VanDerWaalsContact ND2-OG 3.11Å; N506-S543 WeakPolarHBondContact OD1-CA 3.47Å; N506-S543 WeakPolarHBondContact OD1-CB 3.47Å; N506-S543 PolarHBondContact OD1-OG 2.9Å; N539-S543 WeakPolarHBondContact O-CB 3.4Å; N539-S543 PolarHBondContact O-N 3.38Å; N539-S543 PolarHBondContact O-OG 3.45Å; V540-S543 PolarHBondContact O-N 3.2Å; A541-S543 VanDerWaalsContact C-N 3.33Å; A541-S543 PolarHBondContact O-N 3.33Å; S543-Q545 VanDerWaalsContact C-N 3.31Å; S543-Q545 PolarHBondContact O-N 3.06Å; S543-K546 PolarHBondContact O-N 3.34Å; S543-K546 VanDerWaalsContact O-N 3.09Å; S543-I547 WeakPolarHBondContact O-CG1 3.49Å; S543-I547 PolarHBondContact O-N 3.5Å
544	L	97.4	Very high	95.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60.4	-40.9	176.5	-70.4	173.5	0	0	0	111.7	L522 V525 L526 V540 A541 I547 G548 V560 V563 L564	L522-L544 HydrophobicContact CD1-CD2 3.89Å; V525-L544 HydrophobicContact CB-CD2 4.49Å; V525-L544 HydrophobicContact CG1-CD2 3.64Å; V525-L544 HydrophobicContact CG1-CG 3.84Å; L526-L544 HydrophobicContact CD2-CD1 4.49Å; L526-L544 HydrophobicContact CD2-CD2 4.07Å; V540-L544 HydrophobicContact CG1-CD1 4Å; V540-L544 HydrophobicContact CG1-CG 4.34Å; V540-L544 WeakPolarHBondContact O-CG 3.33Å; V540-L544 PolarHBondContact O-N 3.49Å; A541-L544 PolarHBondContact O-N 3.33Å; L544-I547 HydrophobicContact CD2-CD1 4.45Å; L544-G548 WeakPolarHBondContact O-CA 3.5Å; L544-G548 PolarHBondContact O-N 2.82Å; L544-V560 HydrophobicContact CB-CG1 4.14Å; L544-V560 HydrophobicContact CD1-CG1 4.32Å; L544-V560 HydrophobicContact CD2-CG1 4.1Å; L544-V560 HydrophobicContact CD2-CG2 4.16Å; L544-V560 HydrophobicContact CG-CG1 4.41Å; L544-V563 HydrophobicContact CD1-CG1 4.13Å; L544-L564 HydrophobicContact CB-CD2 4.14Å; L544-L564 HydrophobicContact CD1-CD2 3.76Å; L544-L564 HydrophobicContact CD1-CG 4.02Å
545	Q	96.5	Very high	95.2	Very high	43 Å²	43	36 Å²	36	20%	0.201	19%	0.194	C	C	.	.	H	α-helix	trans	-59.1	-44.7	171.8	-174	-173.8	0.6	0	0	112.1	A541 K542 S543 A582 V585	A541-Q545 PolarHBondContact O-N 3.24Å; K542-Q545 WeakPolarHBondContact O-CB 3.44Å; K542-Q545 PolarHBondContact O-N 3.31Å; S543-Q545 VanDerWaalsContact C-N 3.31Å; S543-Q545 PolarHBondContact O-N 3.06Å; Q545-A582 HydrophobicContact CB-CB 3.75Å; Q545-A582 HydrophobicContact CG-CB 4.29Å; Q545-V585 HydrophobicContact CG-CB 4.18Å; Q545-V585 HydrophobicContact CG-CG1 3.94Å
546	K	95.4	Very high	95.1	Very high	100 Å²	100	33.9 Å²	33.9	44%	0.435	18%	0.183	S	C	.	.	H	α-helix	trans	-72.2	-42.9	-176.1	179.3	57.9	-176.3	158.7	0	113.1	N506 E510 K542 S543 P549	N506-K546 HydrophobicContact CB-CG 4.08Å; E510-K546 WeakPolarHBondContact OE1-CE 3.48Å; E510-K546 IonicContact OE1-NZ 3.76Å; E510-K546 PolarHBondContact OE1-NZ 2.79Å; K542-K546 WeakPolarHBondContact O-CB 3.25Å; K542-K546 PolarHBondContact O-N 3.39Å; S543-K546 PolarHBondContact O-N 3.34Å; S543-K546 VanDerWaalsContact O-N 3.09Å; K546-P549 WeakPolarHBondContact O-CD 3.38Å
547	I	96	Very high	94.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-83.2	-16.9	-179.7	73.7	-177.8	0	0	0	112.7	I505 L522 V525 S543 L544 P549 V550 L551	I505-I547 HydrophobicContact CG2-CG2 4.19Å; L522-I547 HydrophobicContact CD1-CD1 4.27Å; V525-I547 HydrophobicContact CG2-CD1 4.36Å; S543-I547 WeakPolarHBondContact O-CG1 3.49Å; S543-I547 PolarHBondContact O-N 3.5Å; L544-I547 HydrophobicContact CD2-CD1 4.45Å; I547-P549 VanDerWaalsContact C-CD 3.48Å; I547-V550 WeakPolarHBondContact O-CB 3.48Å; I547-V550 PolarHBondContact O-N 3.11Å; I547-L551 HydrophobicContact CD1-CD1 4.4Å; I547-L551 HydrophobicContact CG1-CD1 4.13Å; I547-L551 HydrophobicContact CG1-CG 4.49Å; I547-L551 PolarHBondContact O-N 3.16Å
548	G	93.9	Very high	94.7	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.01	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-49.5	-44.8	-176.6	0	0	0	0	0	114.9	L544 V550 L551	L544-G548 WeakPolarHBondContact O-CA 3.5Å; L544-G548 PolarHBondContact O-N 2.82Å; G548-V550 PolarHBondContact O-N 3.16Å; G548-V550 VanDerWaalsContact O-N 3.16Å; G548-L551 PolarHBondContact O-N 2.76Å; G548-L551 VanDerWaalsContact O-N 3.14Å
549	P	94.2	Very high	94.5	Very high	108 Å²	108	43.6 Å²	43.6	70%	0.701	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-61.2	-20.5	176.3	-25.7	35.9	0	0	0	115.4	K546 I547	K546-P549 WeakPolarHBondContact O-CD 3.38Å; I547-P549 VanDerWaalsContact C-CD 3.48Å
550	V	93.5	Very high	94.5	Very high	26 Å²	26	43 Å²	43	16%	0.158	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-86.8	-26.3	178.7	-177.9	0	0	0	0	111.4	E510 Q514 T517 I547 G548	E510-V550 HydrophobicContact CG-CG2 4.17Å; Q514-V550 HydrophobicContact CB-CG1 4.44Å; Q514-V550 WeakPolarHBondContact CB-O 3.44Å; Q514-V550 WeakPolarHBondContact CG-O 3.33Å; Q514-V550 PolarHBondContact NE2-O 3.18Å; T517-V550 HydrophobicContact CG2-CG1 4.47Å; I547-V550 WeakPolarHBondContact O-CB 3.48Å; I547-V550 PolarHBondContact O-N 3.11Å; G548-V550 PolarHBondContact O-N 3.16Å; G548-V550 VanDerWaalsContact O-N 3.16Å
551	L	93.5	Very high	94.3	Very high	9 Å²	9	45.1 Å²	45.1	5%	0.047	24%	0.242	C	C	.	.	S	Bend	trans	-75.3	157.1	-177.7	-60.6	177.1	0	0	0	111.9	Q514 T517 T518 L522 I547 G548 L556 V560	Q514-L551 VanDerWaalsContact NE2-C 3.31Å; Q514-L551 PolarHBondContact NE2-O 3.18Å; T517-L551 HydrophobicContact CG2-CD2 3.94Å; T518-L551 WeakPolarHBondContact OG1-CD2 3.45Å; L522-L551 HydrophobicContact CD1-CD1 4.04Å; L522-L551 HydrophobicContact CD2-CD1 4.06Å; L522-L551 HydrophobicContact CD2-CD2 4.14Å; I547-L551 HydrophobicContact CD1-CD1 4.4Å; I547-L551 HydrophobicContact CG1-CD1 4.13Å; I547-L551 HydrophobicContact CG1-CG 4.49Å; I547-L551 PolarHBondContact O-N 3.16Å; G548-L551 PolarHBondContact O-N 2.76Å; G548-L551 VanDerWaalsContact O-N 3.14Å; L551-L556 HydrophobicContact CB-CD2 4.41Å; L551-L556 HydrophobicContact CB-CG 4.17Å; L551-L556 HydrophobicContact CD1-CD2 4.32Å; L551-V560 HydrophobicContact CD1-CG2 3.75Å
552	D	90	Very high	94.3	Very high	62 Å²	62	48 Å²	48	33%	0.332	26%	0.261	S	S	.	.			trans	-76.1	158	172.5	71.6	36.5	0	0	0	111.5	N554 A555 L556	D552-N554 PolarHBondContact O-N 2.98Å; D552-N554 WeakPolarHBondContact OD1-CA 3.3Å; D552-N554 WeakPolarHBondContact OD1-CB 3.12Å; D552-N554 PolarHBondContact OD1-N 3.16Å; D552-A555 PolarHBondContact O-N 3.27Å; D552-A555 WeakPolarHBondContact OD1-CB 3.46Å; D552-A555 PolarHBondContact OD1-N 2.76Å; D552-L556 PolarHBondContact O-N 3.37Å; D552-L556 VanDerWaalsContact O-N 3.1Å
553	S	89.4	Confident	94.2	Very high	95 Å²	95	45.9 Å²	45.9	66%	0.664	25%	0.253	S	S	*	.	H	α-helix	trans	-62	-24.7	-178.5	-53.4	0	0	0	0	113	Q557	S553-Q557 VanDerWaalsContact O-CG 3.29Å; S553-Q557 WeakPolarHBondContact O-CG 3.41Å; S553-Q557 PolarHBondContact O-N 2.7Å
554	N	91.9	Very high	94.2	Very high	106 Å²	106	45.9 Å²	45.9	57%	0.567	25%	0.253	S	S	*	.	H	α-helix	trans	-71.5	-53.5	178.7	-177.9	65.8	0	0	0	110.1	D552 L556 Q557 T558	D552-N554 PolarHBondContact O-N 2.98Å; D552-N554 WeakPolarHBondContact OD1-CA 3.3Å; D552-N554 WeakPolarHBondContact OD1-CB 3.12Å; D552-N554 PolarHBondContact OD1-N 3.16Å; N554-L556 VanDerWaalsContact C-N 3.27Å; N554-L556 PolarHBondContact O-N 3.17Å; N554-Q557 PolarHBondContact O-N 3.1Å; N554-T558 PolarHBondContact O-N 3.22Å; N554-T558 PolarHBondContact O-OG1 2.9Å
555	A	92.4	Very high	94.2	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.008	27%	0.274	C	S	.	.	H	α-helix	trans	-57.5	-39.5	176.6	0	0	0	0	0	112	T518 L522 D552 Q557 E559 V560	T518-A555 HydrophobicContact CG2-CB 4.11Å; L522-A555 HydrophobicContact CD2-CB 4.2Å; D552-A555 PolarHBondContact O-N 3.27Å; D552-A555 WeakPolarHBondContact OD1-CB 3.46Å; D552-A555 PolarHBondContact OD1-N 2.76Å; A555-Q557 VanDerWaalsContact C-N 3.34Å; A555-Q557 PolarHBondContact O-N 2.76Å; A555-E559 WeakPolarHBondContact O-CA 3.46Å; A555-E559 WeakPolarHBondContact O-CB 3.41Å; A555-E559 PolarHBondContact O-N 2.75Å; A555-V560 PolarHBondContact O-N 2.77Å
556	L	93.3	Very high	94.1	Very high	25 Å²	25	54 Å²	54	13%	0.131	29%	0.289	C	S	.	.	I	π-helix	trans	-58.4	-44.3	174.7	-78.6	173.3	0	0	0	112.6	L551 D552 N554 V560 K561 L586 L588	L551-L556 HydrophobicContact CB-CD2 4.41Å; L551-L556 HydrophobicContact CB-CG 4.17Å; L551-L556 HydrophobicContact CD1-CD2 4.32Å; D552-L556 PolarHBondContact O-N 3.37Å; D552-L556 VanDerWaalsContact O-N 3.1Å; N554-L556 VanDerWaalsContact C-N 3.27Å; N554-L556 PolarHBondContact O-N 3.17Å; L556-V560 HydrophobicContact CD2-CB 4.36Å; L556-V560 HydrophobicContact CD2-CG1 4.41Å; L556-V560 HydrophobicContact CD2-CG2 4.3Å; L556-K561 WeakPolarHBondContact O-CB 3.27Å; L556-K561 PolarHBondContact O-N 2.87Å; L556-L586 HydrophobicContact CD2-CD1 4.28Å; L556-L588 HydrophobicContact CB-CD2 4.31Å
557	Q	92.6	Very high	94.2	Very high	100 Å²	100	49.3 Å²	49.3	47%	0.467	27%	0.269	S	S	.	.	I	π-helix	trans	-81.6	-40.6	-177.2	-66.5	-64.5	-27.3	0	0	112.9	S553 N554 A555 L588	S553-Q557 VanDerWaalsContact O-CG 3.29Å; S553-Q557 WeakPolarHBondContact O-CG 3.41Å; S553-Q557 PolarHBondContact O-N 2.7Å; N554-Q557 PolarHBondContact O-N 3.1Å; A555-Q557 VanDerWaalsContact C-N 3.34Å; A555-Q557 PolarHBondContact O-N 2.76Å; Q557-L588 VanDerWaalsContact NE2-CD2 3.33Å
558	T	93.7	Very high	94.1	Very high	81 Å²	81	50.3 Å²	50.3	50%	0.497	28%	0.277	S	S	.	.	I	π-helix	trans	-89.1	-27.5	-172	59.6	0	0	0	0	113.8	N554	N554-T558 PolarHBondContact O-N 3.22Å; N554-T558 PolarHBondContact O-OG1 2.9Å
559	E	94	Very high	94.2	Very high	77 Å²	77	55.1 Å²	55.1	36%	0.36	31%	0.31	S	S	.	.	I	π-helix	trans	-118.2	-46.9	-173.1	-60.3	-178.4	-119.3	0	0	112.7	L526 A555	L526-E559 HydrophobicContact CD1-CB 3.92Å; A555-E559 WeakPolarHBondContact O-CA 3.46Å; A555-E559 WeakPolarHBondContact O-CB 3.41Å; A555-E559 PolarHBondContact O-N 2.75Å
560	V	95.8	Very high	94.3	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.284	C	S	.	.	I	π-helix	trans	-75.8	-50.8	-175.4	177.2	0	0	0	0	112.3	L522 L544 L551 A555 L556 V563 L564 L586 L588	L522-V560 HydrophobicContact CD1-CG2 3.99Å; L522-V560 HydrophobicContact CD2-CG2 4.5Å; L544-V560 HydrophobicContact CB-CG1 4.14Å; L544-V560 HydrophobicContact CD1-CG1 4.32Å; L544-V560 HydrophobicContact CD2-CG1 4.1Å; L544-V560 HydrophobicContact CD2-CG2 4.16Å; L544-V560 HydrophobicContact CG-CG1 4.41Å; L551-V560 HydrophobicContact CD1-CG2 3.75Å; A555-V560 PolarHBondContact O-N 2.77Å; L556-V560 HydrophobicContact CD2-CB 4.36Å; L556-V560 HydrophobicContact CD2-CG1 4.41Å; L556-V560 HydrophobicContact CD2-CG2 4.3Å; V560-V563 PolarHBondContact O-N 3.38Å; V560-V563 VanDerWaalsContact O-N 3.14Å; V560-L564 HydrophobicContact CG1-CD1 3.8Å; V560-L564 HydrophobicContact CG1-CG 4.18Å; V560-L564 PolarHBondContact O-N 3.08Å; V560-L586 HydrophobicContact CG1-CD1 4.47Å; V560-L588 HydrophobicContact CG1-CD1 4.28Å
561	K	94.9	Very high	94.3	Very high	43 Å²	43	55.2 Å²	55.2	19%	0.187	31%	0.313	C	S	.	.	H	α-helix	trans	-53.5	-49.7	-177.8	174.3	171.6	178.9	156	0	113	L556 V563 L564 E565 L588	L556-K561 WeakPolarHBondContact O-CB 3.27Å; L556-K561 PolarHBondContact O-N 2.87Å; K561-V563 VanDerWaalsContact C-N 3.27Å; K561-V563 PolarHBondContact O-N 3.09Å; K561-L564 PolarHBondContact O-N 3.46Å; K561-E565 WeakPolarHBondContact CE-OE1 3.19Å; K561-E565 HydrophobicContact CG-CG 4.39Å; K561-E565 IonicContact NZ-OE1 3.76Å; K561-E565 WeakPolarHBondContact O-CG 3.25Å; K561-E565 PolarHBondContact O-N 3.28Å; K561-L588 HydrophobicContact CB-CD1 4.26Å; K561-L588 HydrophobicContact CD-CB 4.38Å; K561-L588 WeakPolarHBondContact CD-O 3.36Å; K561-L588 WeakPolarHBondContact CE-O 3.5Å; K561-L588 HydrophobicContact CG-CB 4.48Å; K561-L588 PolarHBondContact NZ-O 2.69Å
562	P	96.6	Very high	94.5	Very high	62 Å²	62	57 Å²	57	40%	0.403	32%	0.323	S	S	.	.	H	α-helix	trans	-60.7	-34.2	179.5	-24.5	34.9	0	0	0	113.7	K566	P562-K566 WeakPolarHBondContact O-CB 3.46Å; P562-K566 PolarHBondContact O-N 3.16Å; P562-K566 VanDerWaalsContact O-N 3.1Å
563	V	96.8	Very high	94.8	Very high	24 Å²	24	60.4 Å²	60.4	15%	0.145	34%	0.338	C	S	.	.	H	α-helix	trans	-72.9	-41	178.4	173.7	0	0	0	0	111.2	L526 L544 V560 K561 K566 L567	L526-V563 HydrophobicContact CD2-CB 4.01Å; L526-V563 HydrophobicContact CD2-CG1 4.24Å; L526-V563 HydrophobicContact CD2-CG2 3.74Å; L544-V563 HydrophobicContact CD1-CG1 4.13Å; V560-V563 PolarHBondContact O-N 3.38Å; V560-V563 VanDerWaalsContact O-N 3.14Å; K561-V563 VanDerWaalsContact C-N 3.27Å; K561-V563 PolarHBondContact O-N 3.09Å; V563-K566 WeakPolarHBondContact O-CB 3.39Å; V563-K566 PolarHBondContact O-N 3.36Å; V563-L567 HydrophobicContact CG1-CD1 4.15Å; V563-L567 WeakPolarHBondContact O-CG 3.19Å; V563-L567 PolarHBondContact O-N 2.6Å
564	L	96.9	Very high	95.1	Very high	0 Å²	0	60 Å²	60	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-65.4	-40.2	175.3	-71.2	177	0	0	0	112.2	A541 L544 V560 K561 K566 L567 A568 A582 I583 L586 L588	A541-L564 HydrophobicContact CB-CD2 4.18Å; L544-L564 HydrophobicContact CB-CD2 4.14Å; L544-L564 HydrophobicContact CD1-CD2 3.76Å; L544-L564 HydrophobicContact CD1-CG 4.02Å; V560-L564 HydrophobicContact CG1-CD1 3.8Å; V560-L564 HydrophobicContact CG1-CG 4.18Å; V560-L564 PolarHBondContact O-N 3.08Å; K561-L564 PolarHBondContact O-N 3.46Å; L564-K566 VanDerWaalsContact C-N 3.31Å; L564-K566 PolarHBondContact O-N 3.24Å; L564-L567 PolarHBondContact O-N 2.89Å; L564-A568 WeakPolarHBondContact O-CB 3.49Å; L564-A568 PolarHBondContact O-N 3.32Å; L564-A582 HydrophobicContact CD1-CB 3.96Å; L564-A582 HydrophobicContact CD2-CB 3.85Å; L564-I583 HydrophobicContact CB-CD1 3.97Å; L564-I583 HydrophobicContact CB-CG1 3.66Å; L564-I583 HydrophobicContact CD1-CG1 4.07Å; L564-I583 HydrophobicContact CG-CG1 4.47Å; L564-L586 HydrophobicContact CD1-CD1 4.25Å; L564-L588 HydrophobicContact CD1-CD1 4.11Å
565	E	95.9	Very high	95.4	Very high	94 Å²	94	54.9 Å²	54.9	44%	0.439	30%	0.301	S	S	.	.	H	α-helix	trans	-62.1	-39.6	174.7	-72.9	175.9	168.3	0	0	111.9	K561 A568 S569 I583	K561-E565 WeakPolarHBondContact CE-OE1 3.19Å; K561-E565 HydrophobicContact CG-CG 4.39Å; K561-E565 IonicContact NZ-OE1 3.76Å; K561-E565 WeakPolarHBondContact O-CG 3.25Å; K561-E565 PolarHBondContact O-N 3.28Å; E565-A568 PolarHBondContact O-N 3.01Å; E565-S569 PolarHBondContact O-N 3.26Å; E565-S569 PolarHBondContact O-OG 2.92Å; E565-I583 HydrophobicContact CG-CD1 4.43Å
566	K	96.3	Very high	95.6	Very high	119 Å²	119	57.9 Å²	57.9	52%	0.517	31%	0.314	S	S	.	.	H	α-helix	trans	-61.7	-46.6	172.8	-178.6	-174.3	176.9	-178.3	0	111.5	N530 P562 V563 L564 A568 S569 D570	N530-K566 PolarHBondContact OD1-NZ 3.15Å; P562-K566 WeakPolarHBondContact O-CB 3.46Å; P562-K566 PolarHBondContact O-N 3.16Å; P562-K566 VanDerWaalsContact O-N 3.1Å; V563-K566 WeakPolarHBondContact O-CB 3.39Å; V563-K566 PolarHBondContact O-N 3.36Å; L564-K566 VanDerWaalsContact C-N 3.31Å; L564-K566 PolarHBondContact O-N 3.24Å; K566-A568 VanDerWaalsContact C-N 3.33Å; K566-S569 CarbonylContact O-C 3.59Å; K566-S569 PolarHBondContact O-N 2.87Å; K566-S569 VanDerWaalsContact O-N 3.11Å; K566-D570 PolarHBondContact O-N 3.45Å
567	L	95.8	Very high	95.8	Very high	3 Å²	3	62.9 Å²	62.9	2%	0.016	33%	0.332	C	S	.	.	H	α-helix	trans	-67.9	-31.4	178.6	-69.3	172	0	0	0	112.4	R537 V540 A541 V563 L564 S569 D570 V575 A579	R537-L567 HydrophobicContact CB-CD2 4.21Å; V540-L567 HydrophobicContact CG1-CD1 4.12Å; A541-L567 HydrophobicContact CB-CD1 4.35Å; V563-L567 HydrophobicContact CG1-CD1 4.15Å; V563-L567 WeakPolarHBondContact O-CG 3.19Å; V563-L567 PolarHBondContact O-N 2.6Å; L564-L567 PolarHBondContact O-N 2.89Å; L567-S569 PolarHBondContact O-N 3.11Å; L567-S569 VanDerWaalsContact O-N 3.15Å; L567-D570 VanDerWaalsContact O-CB 3.22Å; L567-D570 WeakPolarHBondContact O-CB 3.14Å; L567-D570 PolarHBondContact O-N 3.25Å; L567-V575 HydrophobicContact CB-CG1 4.05Å; L567-V575 HydrophobicContact CD2-CG1 3.74Å; L567-V575 HydrophobicContact CG-CG1 4.45Å; L567-A579 HydrophobicContact CB-CB 3.68Å
568	A	95.6	Very high	96	Very high	20 Å²	20	59.9 Å²	59.9	17%	0.165	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-15.3	172.7	0	0	0	0	0	112.9	L564 E565 K566 A579 Q580 I583	L564-A568 WeakPolarHBondContact O-CB 3.49Å; L564-A568 PolarHBondContact O-N 3.32Å; E565-A568 PolarHBondContact O-N 3.01Å; K566-A568 VanDerWaalsContact C-N 3.33Å; A568-A579 HydrophobicContact CB-CB 4.14Å; A568-Q580 HydrophobicContact CB-CG 4.06Å; A568-I583 HydrophobicContact CB-CD1 4.31Å
569	S	95	Very high	96.2	Very high	102 Å²	102	56 Å²	56	71%	0.713	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.1	11.1	174.8	-53.9	0	0	0	0	113.4	E565 K566 L567	E565-S569 PolarHBondContact O-N 3.26Å; E565-S569 PolarHBondContact O-OG 2.92Å; K566-S569 CarbonylContact O-C 3.59Å; K566-S569 PolarHBondContact O-N 2.87Å; K566-S569 VanDerWaalsContact O-N 3.11Å; L567-S569 PolarHBondContact O-N 3.11Å; L567-S569 VanDerWaalsContact O-N 3.15Å
570	D	96.5	Very high	96.3	Very high	28 Å²	28	57.8 Å²	57.8	15%	0.15	30%	0.302	C	S	.	.			trans	-60.2	166.3	179.5	-161.3	-79.3	0	0	0	111.9	R537 K566 L567 D572 V575 K576	R537-D570 IonicContact CZ-OD1 3.13Å; R537-D570 IonicContact CZ-OD2 3.19Å; R537-D570 IonicContact NE-OD1 2.86Å; R537-D570 IonicContact NE-OD2 3.99Å; R537-D570 PolarHBondContact NE-OD2 3.12Å; R537-D570 IonicContact NH2-OD1 2.69Å; R537-D570 PolarHBondContact NH2-OD1 3.21Å; R537-D570 IonicContact NH2-OD2 2.94Å; R537-D570 PolarHBondContact NH2-OD2 3.31Å; K566-D570 PolarHBondContact O-N 3.45Å; L567-D570 VanDerWaalsContact O-CB 3.22Å; L567-D570 WeakPolarHBondContact O-CB 3.14Å; L567-D570 PolarHBondContact O-N 3.25Å; D570-D572 WeakPolarHBondContact OD1-CB 3.46Å; D570-D572 PolarHBondContact OD1-N 2.89Å; D570-V575 HydrophobicContact CB-CB 3.88Å; D570-V575 HydrophobicContact CB-CG1 3.56Å; D570-K576 WeakPolarHBondContact O-CE 3.41Å; D570-K576 PolarHBondContact O-NZ 3.08Å
571	S	94.5	Very high	96.3	Very high	108 Å²	108	61 Å²	61	76%	0.755	32%	0.317	S	S	*	.	S	Bend	trans	-75.6	-30.6	172.6	50.9	0	0	0	0	112.6
572	D	97.4	Very high	96.4	Very high	48 Å²	48	59 Å²	59	26%	0.257	31%	0.308	S	S	.	.	S	Bend	trans	-82.2	136.9	-174.7	-172.8	-77.7	0	0	0	112	A534 D570 D574 V575 K576	A534-D572 HydrophobicContact CB-CB 4.04Å; A534-D572 WeakPolarHBondContact CB-OD2 3.37Å; D570-D572 WeakPolarHBondContact OD1-CB 3.46Å; D570-D572 PolarHBondContact OD1-N 2.89Å; D572-D574 PolarHBondContact OD1-N 3.29Å; D572-V575 HydrophobicContact CB-CB 4.15Å; D572-V575 HydrophobicContact CB-CG2 3.72Å; D572-V575 PolarHBondContact OD1-N 3.26Å; D572-K576 WeakPolarHBondContact O-CG 3.24Å; D572-K576 PolarHBondContact O-N 2.98Å
573	M	95.8	Very high	96.3	Very high	133 Å²	133	57.2 Å²	57.2	66%	0.655	30%	0.295	S	S	*	.	H	α-helix	trans	-71.1	-36.6	-174.3	-71	-60.3	-61.6	0	0	113.3	K576 Y577	M573-K576 PolarHBondContact O-N 2.94Å; M573-K576 HydrophobicContact SD-CD 4.32Å; M573-Y577 WeakPolarHBondContact O-CB 3.41Å; M573-Y577 PolarHBondContact O-N 3.21Å
574	D	96	Very high	96.3	Very high	85 Å²	85	60.2 Å²	60.2	46%	0.455	32%	0.317	S	S	.	.	H	α-helix	trans	-70.8	-39.3	180	-68.2	-28.3	0	0	0	109.9	F538 D572 K576 Y577 F578	F538-D574 HydrophobicContact CD1-CB 3.97Å; F538-D574 HydrophobicContact CE1-CB 4.48Å; F538-D574 HydrophobicContact CG-CB 4.44Å; D572-D574 PolarHBondContact OD1-N 3.29Å; D574-K576 VanDerWaalsContact C-N 3.34Å; D574-K576 PolarHBondContact O-N 3.02Å; D574-Y577 PolarHBondContact O-N 2.84Å; D574-F578 HydrophobicContact CB-CD2 4.43Å; D574-F578 HydrophobicContact CB-CE2 4.4Å; D574-F578 WeakPolarHBondContact O-CD2 3.11Å; D574-F578 PolarHBondContact O-N 3.05Å
575	V	97.1	Very high	96.1	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-59	-45.8	174.9	-176.5	0	0	0	0	110.9	A534 R537 F538 L567 D570 D572 A579	A534-V575 HydrophobicContact CB-CG2 4.24Å; R537-V575 HydrophobicContact CB-CG1 4.14Å; R537-V575 HydrophobicContact CB-CG2 3.93Å; F538-V575 HydrophobicContact CB-CB 4.33Å; F538-V575 HydrophobicContact CB-CG2 3.89Å; L567-V575 HydrophobicContact CB-CG1 4.05Å; L567-V575 HydrophobicContact CD2-CG1 3.74Å; L567-V575 HydrophobicContact CG-CG1 4.45Å; D570-V575 HydrophobicContact CB-CB 3.88Å; D570-V575 HydrophobicContact CB-CG1 3.56Å; D572-V575 HydrophobicContact CB-CB 4.15Å; D572-V575 HydrophobicContact CB-CG2 3.72Å; D572-V575 PolarHBondContact OD1-N 3.26Å; V575-A579 VanDerWaalsContact O-CB 3.23Å; V575-A579 WeakPolarHBondContact O-CB 3.14Å; V575-A579 PolarHBondContact O-N 3.15Å
576	K	97.1	Very high	96	Very high	64 Å²	64	61.4 Å²	61.4	28%	0.278	33%	0.329	S	S	.	.	H	α-helix	trans	-60.2	-48.7	175.8	-68.9	178.7	-170.7	174.7	0	112.3	D570 D572 M573 D574 A579 Q580	D570-K576 WeakPolarHBondContact O-CE 3.41Å; D570-K576 PolarHBondContact O-NZ 3.08Å; D572-K576 WeakPolarHBondContact O-CG 3.24Å; D572-K576 PolarHBondContact O-N 2.98Å; M573-K576 PolarHBondContact O-N 2.94Å; M573-K576 HydrophobicContact SD-CD 4.32Å; D574-K576 VanDerWaalsContact C-N 3.34Å; D574-K576 PolarHBondContact O-N 3.02Å; K576-A579 PolarHBondContact O-N 2.66Å; K576-Q580 WeakPolarHBondContact O-CG 3.31Å; K576-Q580 PolarHBondContact O-N 3.28Å
577	Y	97.6	Very high	95.7	Very high	129 Å²	129	59.7 Å²	59.7	51%	0.506	34%	0.338	S	S	.	.	H	α-helix	trans	-58.2	-54.4	-176.7	173.9	-90.6	0	0	0	110.8	M573 D574 A579 Q580 E581	M573-Y577 WeakPolarHBondContact O-CB 3.41Å; M573-Y577 PolarHBondContact O-N 3.21Å; D574-Y577 PolarHBondContact O-N 2.84Å; Y577-A579 VanDerWaalsContact C-N 3.32Å; Y577-A579 PolarHBondContact O-N 2.75Å; Y577-Q580 PolarHBondContact O-N 3.33Å; Y577-E581 WeakPolarHBondContact O-CB 3.39Å; Y577-E581 PolarHBondContact O-N 3.37Å
578	F	97.6	Very high	95.1	Very high	38 Å²	38	59.8 Å²	59.8	17%	0.167	34%	0.338	C	S	.	.	H	α-helix	trans	-68.6	-29.8	-177.9	-71.1	-61.4	0	0	0	112.6	F538 A541 K542 D574 E581 A582	F538-F578 HydrophobicContact CB-CD2 3.93Å; F538-F578 AromaticContact CD2-CD2 3.93Å; F538-F578 HydrophobicContact CD2-CD2 3.93Å; F538-F578 HydrophobicContact CD2-CE2 4.16Å; F538-F578 HydrophobicContact CG-CD2 4.09Å; A541-F578 HydrophobicContact CB-CB 4.05Å; K542-F578 HydrophobicContact CD-CD1 4.25Å; K542-F578 HydrophobicContact CD-CE1 4.4Å; K542-F578 HydrophobicContact CD-CG 4.46Å; K542-F578 VanDerWaalsContact CE-CE2 3.49Å; K542-F578 HydrophobicContact CG-CB 4.3Å; K542-F578 HydrophobicContact CG-CD1 3.94Å; K542-F578 HydrophobicContact CG-CG 4.07Å; K542-F578 VanDerWaalsContact NZ-CZ 3.3Å; D574-F578 HydrophobicContact CB-CD2 4.43Å; D574-F578 HydrophobicContact CB-CE2 4.4Å; D574-F578 WeakPolarHBondContact O-CD2 3.11Å; D574-F578 PolarHBondContact O-N 3.05Å; F578-E581 WeakPolarHBondContact CD1-OE2 3.44Å; F578-A582 VanDerWaalsContact O-CB 3.29Å; F578-A582 WeakPolarHBondContact O-CB 3.33Å; F578-A582 PolarHBondContact O-N 2.99Å
579	A	96.9	Very high	93.9	Very high	0 Å²	0	65 Å²	65	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-67.7	-43.5	173.6	0	0	0	0	0	112.4	A541 L567 A568 V575 K576 Y577 A582 I583	A541-A579 HydrophobicContact CB-CB 4.24Å; L567-A579 HydrophobicContact CB-CB 3.68Å; A568-A579 HydrophobicContact CB-CB 4.14Å; V575-A579 VanDerWaalsContact O-CB 3.23Å; V575-A579 WeakPolarHBondContact O-CB 3.14Å; V575-A579 PolarHBondContact O-N 3.15Å; K576-A579 PolarHBondContact O-N 2.66Å; Y577-A579 VanDerWaalsContact C-N 3.32Å; Y577-A579 PolarHBondContact O-N 2.75Å; A579-A582 PolarHBondContact O-N 2.9Å; A579-I583 VanDerWaalsContact O-CG1 3.29Å; A579-I583 WeakPolarHBondContact O-CG1 3.49Å; A579-I583 PolarHBondContact O-N 3.1Å
580	Q	96.2	Very high	93.9	Very high	113 Å²	113	63.2 Å²	63.2	53%	0.528	37%	0.365	S	S	.	.	H	α-helix	trans	-66.6	-40.8	176.8	-71.6	172.6	1.4	0	0	111.9	A568 K576 Y577 I583 S584	A568-Q580 HydrophobicContact CB-CG 4.06Å; K576-Q580 WeakPolarHBondContact O-CG 3.31Å; K576-Q580 PolarHBondContact O-N 3.28Å; Y577-Q580 PolarHBondContact O-N 3.33Å; Q580-I583 PolarHBondContact O-N 2.95Å; Q580-S584 WeakPolarHBondContact O-CB 3.46Å; Q580-S584 PolarHBondContact O-N 2.97Å
581	E	96.6	Very high	93.7	Very high	69 Å²	69	65.1 Å²	65.1	32%	0.322	38%	0.376	S	S	.	.	H	α-helix	trans	-59	-46.6	173.2	-176.1	174.9	-132.7	0	0	111.2	Y577 F578 I583 S584 V585	Y577-E581 WeakPolarHBondContact O-CB 3.39Å; Y577-E581 PolarHBondContact O-N 3.37Å; F578-E581 WeakPolarHBondContact CD1-OE2 3.44Å; E581-I583 PolarHBondContact O-N 3.44Å; E581-S584 WeakPolarHBondContact O-CB 3.5Å; E581-S584 PolarHBondContact O-N 3.39Å; E581-V585 HydrophobicContact CG-CG2 4.39Å; E581-V585 WeakPolarHBondContact O-CB 3.28Å; E581-V585 VanDerWaalsContact O-CG2 3.27Å; E581-V585 WeakPolarHBondContact O-CG2 3.39Å; E581-V585 PolarHBondContact O-N 3.29Å
582	A	96.3	Very high	93.7	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-60.5	-43.7	177	0	0	0	0	0	112.8	Q545 L564 F578 A579 S584 V585 L586	Q545-A582 HydrophobicContact CB-CB 3.75Å; Q545-A582 HydrophobicContact CG-CB 4.29Å; L564-A582 HydrophobicContact CD1-CB 3.96Å; L564-A582 HydrophobicContact CD2-CB 3.85Å; F578-A582 VanDerWaalsContact O-CB 3.29Å; F578-A582 WeakPolarHBondContact O-CB 3.33Å; F578-A582 PolarHBondContact O-N 2.99Å; A579-A582 PolarHBondContact O-N 2.9Å; A582-S584 VanDerWaalsContact C-N 3.33Å; A582-S584 PolarHBondContact O-N 3.14Å; A582-V585 PolarHBondContact O-N 3.43Å; A582-L586 WeakPolarHBondContact O-CB 3.27Å; A582-L586 WeakPolarHBondContact O-CG 3.44Å; A582-L586 PolarHBondContact O-N 3.22Å
583	I	95.4	Very high	93.5	Very high	25 Å²	25	63.5 Å²	63.5	13%	0.128	36%	0.361	C	S	.	.	H	α-helix	trans	-60.2	-44.8	176.7	-70	166.1	0	0	0	110.9	L564 E565 A568 A579 Q580 E581 A587 L588 A589	L564-I583 HydrophobicContact CB-CD1 3.97Å; L564-I583 HydrophobicContact CB-CG1 3.66Å; L564-I583 HydrophobicContact CD1-CG1 4.07Å; L564-I583 HydrophobicContact CG-CG1 4.47Å; E565-I583 HydrophobicContact CG-CD1 4.43Å; A568-I583 HydrophobicContact CB-CD1 4.31Å; A579-I583 VanDerWaalsContact O-CG1 3.29Å; A579-I583 WeakPolarHBondContact O-CG1 3.49Å; A579-I583 PolarHBondContact O-N 3.1Å; Q580-I583 PolarHBondContact O-N 2.95Å; E581-I583 PolarHBondContact O-N 3.44Å; I583-A587 PolarHBondContact O-N 3.27Å; I583-L588 HydrophobicContact CG2-CB 4.27Å; I583-L588 PolarHBondContact O-N 3.2Å; I583-A589 HydrophobicContact CG2-CB 4.11Å
584	S	95	Very high	93.3	Very high	87 Å²	87	59.2 Å²	59.2	61%	0.608	34%	0.343	S	S	*	.	H	α-helix	trans	-63	-49.9	179	-176.3	0	0	0	0	111.5	Q580 E581 A582 L586 A587	Q580-S584 WeakPolarHBondContact O-CB 3.46Å; Q580-S584 PolarHBondContact O-N 2.97Å; E581-S584 WeakPolarHBondContact O-CB 3.5Å; E581-S584 PolarHBondContact O-N 3.39Å; A582-S584 VanDerWaalsContact C-N 3.33Å; A582-S584 PolarHBondContact O-N 3.14Å; S584-L586 PolarHBondContact O-N 3.45Å; S584-A587 PolarHBondContact O-N 2.98Å; S584-A587 VanDerWaalsContact O-N 3.13Å
585	V	94.4	Very high	93.1	Very high	90 Å²	90	57.5 Å²	57.5	55%	0.545	34%	0.335	S	S	.	.	H	α-helix	trans	-66.1	-37	-176.7	169.3	0	0	0	0	112.1	Q545 E581 A582 A587	Q545-V585 HydrophobicContact CG-CB 4.18Å; Q545-V585 HydrophobicContact CG-CG1 3.94Å; E581-V585 HydrophobicContact CG-CG2 4.39Å; E581-V585 WeakPolarHBondContact O-CB 3.28Å; E581-V585 VanDerWaalsContact O-CG2 3.27Å; E581-V585 WeakPolarHBondContact O-CG2 3.39Å; E581-V585 PolarHBondContact O-N 3.29Å; A582-V585 PolarHBondContact O-N 3.43Å; V585-A587 VanDerWaalsContact C-N 3.25Å; V585-A587 PolarHBondContact O-N 3.12Å
586	L	92.5	Very high	92.9	Very high	28 Å²	28	61.6 Å²	61.6	15%	0.147	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	2.7	177.5	-64.1	178.1	0	0	0	113.6	L556 V560 L564 A582 S584 L588	L556-L586 HydrophobicContact CD2-CD1 4.28Å; V560-L586 HydrophobicContact CG1-CD1 4.47Å; L564-L586 HydrophobicContact CD1-CD1 4.25Å; A582-L586 WeakPolarHBondContact O-CB 3.27Å; A582-L586 WeakPolarHBondContact O-CG 3.44Å; A582-L586 PolarHBondContact O-N 3.22Å; S584-L586 PolarHBondContact O-N 3.45Å; L586-L588 HydrophobicContact CB-CD1 3.76Å; L586-L588 HydrophobicContact CB-CG 3.71Å; L586-L588 HydrophobicContact CD1-CD1 3.91Å; L586-L588 PolarHBondContact O-N 3.19Å
587	A	90.4	Very high	92.5	Very high	84 Å²	84	61.4 Å²	61.4	69%	0.694	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	41.3	-175.8	0	0	0	0	0	113.1	I583 S584 V585	I583-A587 PolarHBondContact O-N 3.27Å; S584-A587 PolarHBondContact O-N 2.98Å; S584-A587 VanDerWaalsContact O-N 3.13Å; V585-A587 VanDerWaalsContact C-N 3.25Å; V585-A587 PolarHBondContact O-N 3.12Å
588	L	83.9	Confident	92.1	Very high	4 Å²	4	55.8 Å²	55.8	2%	0.021	35%	0.354	C	S	.	.			trans	-96.5	0.5	179.3	-61.6	176.6	0	0	0	113.1	L556 Q557 V560 K561 L564 I583 L586	L556-L588 HydrophobicContact CB-CD2 4.31Å; Q557-L588 VanDerWaalsContact NE2-CD2 3.33Å; V560-L588 HydrophobicContact CG1-CD1 4.28Å; K561-L588 HydrophobicContact CB-CD1 4.26Å; K561-L588 HydrophobicContact CD-CB 4.38Å; K561-L588 WeakPolarHBondContact CD-O 3.36Å; K561-L588 WeakPolarHBondContact CE-O 3.5Å; K561-L588 HydrophobicContact CG-CB 4.48Å; K561-L588 PolarHBondContact NZ-O 2.69Å; L564-L588 HydrophobicContact CD1-CD1 4.11Å; I583-L588 HydrophobicContact CG2-CB 4.27Å; I583-L588 PolarHBondContact O-N 3.2Å; L586-L588 HydrophobicContact CB-CD1 3.76Å; L586-L588 HydrophobicContact CB-CG 3.71Å; L586-L588 HydrophobicContact CD1-CD1 3.91Å; L586-L588 PolarHBondContact O-N 3.19Å
589	A	70.1	Confident	91.6	Very high	131 Å²	131	57.4 Å²	57.4	100%	1.083	37%	0.371	S	S	*	.			trans	-58	0	179.7	0	0	0	0	0	112.9	I583	I583-A589 HydrophobicContact CG2-CB 4.11Å

Retrieved 589 of 589 residues in 1025.8 ms (Link to these results)

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