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Annexin D8

AlphaFold DB , UniProt , Accession Q94CK4, Species ARATH (Arabidopsis thaliana, Mouse-ear cress), Gene ANNAT8, Length 316 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	88.9	Confident	92	Very high	142 Å²	142	66.5 Å²	66.5	70%	0.7	38%	0.376	S	S	*	.				0	139.5	0	-164.6	177.8	92.8	0	0	108.2	K273 D274 L275 T276	M1-K273 CarbonylContact C-O 3.56Å; M1-K273 WeakPolarHBondContact CA-O 3.35Å; M1-K273 PolarHBondContact N-O 2.55Å; M1-K273 VanDerWaalsContact N-O 3.14Å; M1-D274 CarbonylContact O-C 3.53Å; M1-D274 WeakPolarHBondContact O-CA 3.18Å; M1-L275 PolarHBondContact O-N 3.41Å; M1-T276 HydrophobicContact CE-CG2 4.02Å; M1-T276 WeakPolarHBondContact O-CB 3.46Å; M1-T276 PolarHBondContact O-N 3.1Å; M1-T276 PolarHBondContact O-OG1 3.4Å; M1-T276 VanDerWaalsContact O-OG1 3.08Å
2	A	93.7	Very high	92.5	Very high	36 Å²	36	63.7 Å²	63.7	30%	0.298	36%	0.362	S	S	.	.			trans	-70.4	154.9	174.9	0	0	0	0	0	111.3	I4 A271 K273 T276	A2-I4 HydrophobicContact CB-CG2 4.37Å; A2-A271 CarbonylContact C-O 3.59Å; A2-A271 VanDerWaalsContact CA-O 3.29Å; A2-A271 WeakPolarHBondContact CA-O 3.22Å; A2-A271 WeakPolarHBondContact CB-O 3.48Å; A2-K273 PolarHBondContact N-O 2.82Å; A2-T276 PolarHBondContact O-OG1 3.22Å; A2-T276 VanDerWaalsContact O-OG1 3.07Å
3	T	94	Very high	92.9	Very high	17 Å²	17	63.9 Å²	63.9	10%	0.104	37%	0.365	C	S	.	.			trans	-104.5	-25.2	172.1	48.6	0	0	0	0	112.4	V5 A271 L275 T276 L309 G311	T3-V5 PolarHBondContact O-N 3.16Å; T3-A271 PolarHBondContact N-O 3.13Å; T3-A271 PolarHBondContact OG1-O 3.33Å; T3-L275 HydrophobicContact CG2-CB 3.9Å; T3-L275 HydrophobicContact CG2-CD2 4.44Å; T3-L275 HydrophobicContact CG2-CG 4.05Å; T3-L275 WeakPolarHBondContact OG1-CD2 3.33Å; T3-T276 VanDerWaalsContact CG2-OG1 3.24Å; T3-T276 WeakPolarHBondContact CG2-OG1 3.1Å; T3-L309 WeakPolarHBondContact CB-O 3.43Å; T3-L309 PolarHBondContact OG1-O 2.66Å; T3-G311 WeakPolarHBondContact O-CA 3.44Å
4	I	92.2	Very high	93.3	Very high	21 Å²	21	67.1 Å²	67.1	11%	0.108	38%	0.375	C	S	.	.			trans	-61.1	133.2	178.6	-169.1	67.9	0	0	0	110	A2 G38 W79 A271 E272 L309	A2-I4 HydrophobicContact CB-CG2 4.37Å; I4-G38 WeakPolarHBondContact CD1-O 3.22Å; I4-W79 HydrophobicContact CB-CH2 4.39Å; I4-W79 HydrophobicContact CD1-CH2 4.3Å; I4-W79 HydrophobicContact CD1-CZ2 3.76Å; I4-W79 HydrophobicContact CG1-CH2 4.22Å; I4-W79 HydrophobicContact CG1-CZ2 3.94Å; I4-A271 PolarHBondContact N-O 3.41Å; I4-E272 HydrophobicContact CG2-CB 4.46Å; I4-E272 HydrophobicContact CG2-CG 3.95Å; I4-L309 HydrophobicContact CD1-CD2 3.94Å
5	V	89.7	Confident	93.6	Very high	77 Å²	77	63.1 Å²	63.1	47%	0.467	35%	0.353	S	S	.	.			trans	-112.6	113.4	172.3	-175.2	0	0	0	0	107.6	T3 H39 Q315	T3-V5 PolarHBondContact O-N 3.16Å; V5-H39 PolarHBondContact O-ND1 2.95Å; V5-Q315 PolarHBondContact O-NE2 3.1Å
6	S	91.9	Very high	93.9	Very high	38 Å²	38	59.1 Å²	59.1	27%	0.266	33%	0.331	S	S	.	.			trans	-108.9	141.9	178.1	56.6	0	0	0	0	111.6	H39 N41	S6-H39 WeakPolarHBondContact CA-O 3.47Å; S6-N41 PolarHBondContact OG-ND2 3.25Å; S6-N41 VanDerWaalsContact OG-ND2 3.09Å
7	P	92.1	Very high	94.1	Very high	16 Å²	16	61.1 Å²	61.1	10%	0.104	34%	0.336	C	S	.	.			trans	-68.7	144.7	177.2	30.5	-34.1	0	0	0	110.7	H39 R40 Q44	P7-H39 WeakPolarHBondContact CD-O 3.38Å; P7-R40 VanDerWaalsContact CG-NH1 3.3Å; P7-Q44 PolarHBondContact O-NE2 3.13Å
8	P	89.9	Confident	94.3	Very high	118 Å²	118	61.4 Å²	61.4	77%	0.766	34%	0.338	S	S	*	.	S	Bend	trans	-72	-34.9	179.1	28.3	-33.6	0	0	0	112.1
9	H	90.1	Very high	94.5	Very high	168 Å²	168	58.2 Å²	58.2	78%	0.778	32%	0.32	S	S	*	.	S	Bend	trans	-99.9	127.2	173.9	-57.6	-64.7	0	0	0	108.3
10	F	92.4	Very high	94.7	Very high	57 Å²	57	56.8 Å²	56.8	25%	0.25	31%	0.311	C	S	.	.			trans	-153.5	156.3	176	84.1	-68.5	0	0	0	109	P12 Q44 L47	F10-P12 HydrophobicContact CD2-CG 4.33Å; F10-P12 HydrophobicContact CE2-CB 4.27Å; F10-P12 HydrophobicContact CE2-CG 3.53Å; F10-P12 HydrophobicContact CZ-CG 3.9Å; F10-Q44 HydrophobicContact CD1-CG 3.85Å; F10-Q44 VanDerWaalsContact CD1-NE2 3.31Å; F10-Q44 HydrophobicContact CD2-CB 4.05Å; F10-Q44 HydrophobicContact CD2-CG 3.88Å; F10-Q44 HydrophobicContact CE1-CG 3.67Å; F10-Q44 HydrophobicContact CE2-CB 3.74Å; F10-Q44 HydrophobicContact CE2-CG 3.67Å; F10-Q44 HydrophobicContact CG-CG 3.97Å; F10-Q44 HydrophobicContact CZ-CB 4.07Å; F10-Q44 HydrophobicContact CZ-CG 3.59Å; F10-L47 HydrophobicContact CE2-CB 4.49Å; F10-L47 HydrophobicContact CE2-CD1 4.41Å; F10-L47 HydrophobicContact CZ-CD1 3.69Å
11	S	97.1	Very high	94.8	Very high	42 Å²	42	56.6 Å²	56.6	29%	0.294	32%	0.317	S	S	.	.			trans	-120.7	113.5	173.9	170.5	0	0	0	0	108.6	V13 E14 D15	S11-V13 PolarHBondContact O-N 2.79Å; S11-E14 PolarHBondContact O-N 3.39Å; S11-E14 WeakPolarHBondContact OG-CB 3.36Å; S11-E14 PolarHBondContact OG-N 3.1Å; S11-D15 WeakPolarHBondContact O-CB 3.43Å; S11-D15 PolarHBondContact O-N 2.91Å
12	P	97.7	Very high	95.2	Very high	32 Å²	32	50.2 Å²	50.2	21%	0.208	29%	0.286	C	S	.	.	H	α-helix	trans	-57	-35.2	177.4	-20.3	26.3	0	0	0	113.4	F10 A16 L47 A51	F10-P12 HydrophobicContact CD2-CG 4.33Å; F10-P12 HydrophobicContact CE2-CB 4.27Å; F10-P12 HydrophobicContact CE2-CG 3.53Å; F10-P12 HydrophobicContact CZ-CG 3.9Å; P12-A16 WeakPolarHBondContact O-CB 3.45Å; P12-A16 PolarHBondContact O-N 3.2Å; P12-L47 HydrophobicContact CB-CB 3.87Å; P12-L47 HydrophobicContact CG-CB 3.74Å; P12-L47 HydrophobicContact CG-CD1 4.26Å; P12-A51 HydrophobicContact CB-CB 4.06Å
13	V	98.1	Very high	95.3	Very high	67 Å²	67	49 Å²	49	41%	0.406	28%	0.275	S	S	.	.	H	α-helix	trans	-69.3	-49.9	179.5	171.4	0	0	0	0	110.4	S11 D15 A16 E17 A51 I55	S11-V13 PolarHBondContact O-N 2.79Å; V13-D15 VanDerWaalsContact C-N 3.34Å; V13-D15 PolarHBondContact O-N 3.45Å; V13-A16 WeakPolarHBondContact O-CB 3.44Å; V13-A16 PolarHBondContact O-N 3.25Å; V13-A16 VanDerWaalsContact O-N 3.14Å; V13-E17 HydrophobicContact CG1-CG 4.46Å; V13-E17 WeakPolarHBondContact O-CG 3.18Å; V13-E17 PolarHBondContact O-N 3.44Å; V13-A51 HydrophobicContact CG2-CB 4.33Å; V13-I55 HydrophobicContact CB-CD1 4.38Å; V13-I55 HydrophobicContact CG1-CD1 3.86Å; V13-I55 HydrophobicContact CG2-CD1 4.36Å
14	E	97.9	Very high	95.3	Very high	109 Å²	109	54.5 Å²	54.5	51%	0.509	30%	0.3	S	S	.	.	H	α-helix	trans	-63.3	-41.2	179.8	-173.9	179.5	-176.8	0	0	111.4	S11 A16 E17 N18	S11-E14 PolarHBondContact O-N 3.39Å; S11-E14 WeakPolarHBondContact OG-CB 3.36Å; S11-E14 PolarHBondContact OG-N 3.1Å; E14-A16 VanDerWaalsContact C-N 3.34Å; E14-A16 PolarHBondContact O-N 3.12Å; E14-E17 PolarHBondContact O-N 3.42Å; E14-N18 VanDerWaalsContact O-CB 3.26Å; E14-N18 WeakPolarHBondContact O-CB 3.37Å; E14-N18 PolarHBondContact O-N 2.74Å; E14-N18 PolarHBondContact O-ND2 2.78Å; E14-N18 VanDerWaalsContact O-ND2 3.17Å
15	D	98	Very high	95.2	Very high	6 Å²	6	56.9 Å²	56.9	3%	0.032	33%	0.33	C	S	.	.	H	α-helix	trans	-61.2	-42.7	173.8	-76.2	-23.1	0	0	0	111.5	S11 V13 I19 I36 R40 I48	S11-D15 WeakPolarHBondContact O-CB 3.43Å; S11-D15 PolarHBondContact O-N 2.91Å; V13-D15 VanDerWaalsContact C-N 3.34Å; V13-D15 PolarHBondContact O-N 3.45Å; D15-I19 WeakPolarHBondContact O-CB 3.48Å; D15-I19 WeakPolarHBondContact O-CD1 3.14Å; D15-I19 WeakPolarHBondContact O-CG1 3.44Å; D15-I19 PolarHBondContact O-N 2.86Å; D15-I36 HydrophobicContact CB-CG2 3.96Å; D15-R40 IonicContact OD1-CZ 3.54Å; D15-R40 IonicContact OD1-NE 3.24Å; D15-R40 IonicContact OD1-NH2 2.74Å; D15-R40 PolarHBondContact OD1-NH2 3.36Å; D15-R40 IonicContact OD2-CZ 3.46Å; D15-R40 IonicContact OD2-NE 3.76Å; D15-R40 PolarHBondContact OD2-NE 3.13Å; D15-R40 IonicContact OD2-NH2 3.38Å; D15-R40 PolarHBondContact OD2-NH2 3.43Å; D15-I48 HydrophobicContact CB-CD1 3.77Å; D15-I48 HydrophobicContact CB-CG1 3.72Å; D15-I48 HydrophobicContact CB-CG2 4.26Å; D15-I48 WeakPolarHBondContact OD2-CD1 3.17Å
16	A	98.4	Very high	94.9	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-65	-43.1	177.4	0	0	0	0	0	112.1	P12 V13 E14 I19 K20 I48 A51 Y52 I55	P12-A16 WeakPolarHBondContact O-CB 3.45Å; P12-A16 PolarHBondContact O-N 3.2Å; V13-A16 WeakPolarHBondContact O-CB 3.44Å; V13-A16 PolarHBondContact O-N 3.25Å; V13-A16 VanDerWaalsContact O-N 3.14Å; E14-A16 VanDerWaalsContact C-N 3.34Å; E14-A16 PolarHBondContact O-N 3.12Å; A16-I19 PolarHBondContact O-N 3.29Å; A16-K20 PolarHBondContact O-N 2.99Å; A16-I48 HydrophobicContact CB-CG2 4.47Å; A16-A51 HydrophobicContact CB-CB 4.26Å; A16-Y52 HydrophobicContact CB-CD2 4.09Å; A16-I55 HydrophobicContact CB-CD1 4.48Å
17	E	98	Very high	94.8	Very high	92 Å²	92	67 Å²	67	43%	0.43	37%	0.371	S	S	.	.	H	α-helix	trans	-63.4	-45.1	175.8	-71.7	174.6	159.6	0	0	111.7	V13 E14 I19 K20 A21	V13-E17 HydrophobicContact CG1-CG 4.46Å; V13-E17 WeakPolarHBondContact O-CG 3.18Å; V13-E17 PolarHBondContact O-N 3.44Å; E14-E17 PolarHBondContact O-N 3.42Å; E17-I19 PolarHBondContact O-N 3.44Å; E17-K20 PolarHBondContact O-N 3.3Å; E17-A21 WeakPolarHBondContact O-CB 3Å; E17-A21 PolarHBondContact O-N 3.28Å
18	N	97.8	Very high	95	Very high	68 Å²	68	67.4 Å²	67.4	36%	0.364	37%	0.373	S	S	.	.	H	α-helix	trans	-65.2	-37.4	177.4	-74.3	-30.7	0	0	0	112.1	E14 A21 A22 I36	E14-N18 VanDerWaalsContact O-CB 3.26Å; E14-N18 WeakPolarHBondContact O-CB 3.37Å; E14-N18 PolarHBondContact O-N 2.74Å; E14-N18 PolarHBondContact O-ND2 2.78Å; E14-N18 VanDerWaalsContact O-ND2 3.17Å; N18-A21 PolarHBondContact O-N 2.82Å; N18-A22 WeakPolarHBondContact O-CB 3.28Å; N18-A22 PolarHBondContact O-N 3.28Å; N18-I36 HydrophobicContact CB-CD1 3.62Å
19	I	98	Very high	95.3	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-64.6	-45	172	-69.1	163.2	0	0	0	110.4	D15 A16 E17 A21 A22 C23 I36 L37 I48 Y52 L60	D15-I19 WeakPolarHBondContact O-CB 3.48Å; D15-I19 WeakPolarHBondContact O-CD1 3.14Å; D15-I19 WeakPolarHBondContact O-CG1 3.44Å; D15-I19 PolarHBondContact O-N 2.86Å; A16-I19 PolarHBondContact O-N 3.29Å; E17-I19 PolarHBondContact O-N 3.44Å; I19-A21 VanDerWaalsContact C-N 3.32Å; I19-A21 PolarHBondContact O-N 3.18Å; I19-A22 WeakPolarHBondContact O-CB 3.44Å; I19-A22 PolarHBondContact O-N 3.32Å; I19-C23 PolarHBondContact O-N 3.09Å; I19-C23 PolarHBondContact O-SG 2.65Å; I19-I36 HydrophobicContact CD1-CG2 4.1Å; I19-I36 HydrophobicContact CG1-CD1 3.95Å; I19-I36 HydrophobicContact CG1-CG2 4.33Å; I19-L37 HydrophobicContact CD1-CD1 4.46Å; I19-L37 HydrophobicContact CD1-CD2 3.86Å; I19-L37 HydrophobicContact CD1-CG 4.09Å; I19-I48 HydrophobicContact CD1-CG2 3.79Å; I19-Y52 HydrophobicContact CG2-CE2 4.45Å; I19-L60 HydrophobicContact CD1-CD1 4.45Å; I19-L60 HydrophobicContact CG2-CD1 3.78Å
20	K	97.7	Very high	95.6	Very high	30 Å²	30	60.1 Å²	60.1	13%	0.13	33%	0.332	C	S	.	.	H	α-helix	trans	-60.3	-44.5	177.1	-170.4	74.4	179.4	178.2	0	111.1	A16 E17 A22 C23 Q24 Y52 Y56 E58	A16-K20 PolarHBondContact O-N 2.99Å; E17-K20 PolarHBondContact O-N 3.3Å; K20-A22 VanDerWaalsContact C-N 3.31Å; K20-A22 PolarHBondContact O-N 3.18Å; K20-C23 CarbonylContact O-C 3.54Å; K20-C23 PolarHBondContact O-N 2.89Å; K20-C23 VanDerWaalsContact O-N 3.09Å; K20-Q24 WeakPolarHBondContact O-CG 3.46Å; K20-Q24 PolarHBondContact O-N 2.83Å; K20-Y52 HydrophobicContact CB-CE2 4.09Å; K20-Y52 HydrophobicContact CD-CE2 4.07Å; K20-Y52 WeakPolarHBondContact CD-OH 3.34Å; K20-Y52 PolarHBondContact NZ-OH 3.3Å; K20-Y56 HydrophobicContact CB-CD2 4.37Å; K20-Y56 HydrophobicContact CB-CE1 4.29Å; K20-Y56 HydrophobicContact CB-CE2 3.6Å; K20-Y56 HydrophobicContact CD-CD1 4.24Å; K20-Y56 HydrophobicContact CD-CD2 4.22Å; K20-Y56 HydrophobicContact CD-CE1 4.26Å; K20-Y56 HydrophobicContact CD-CE2 4.23Å; K20-Y56 HydrophobicContact CD-CG 4.23Å; K20-Y56 HydrophobicContact CG-CD1 4.28Å; K20-Y56 HydrophobicContact CG-CD2 4.4Å; K20-Y56 HydrophobicContact CG-CE1 3.79Å; K20-Y56 HydrophobicContact CG-CE2 3.92Å; K20-E58 IonicContact NZ-OE1 2.72Å; K20-E58 IonicContact NZ-OE2 3.58Å; K20-E58 PolarHBondContact NZ-OE2 2.94Å
21	A	97.4	Very high	95.8	Very high	53 Å²	53	62.4 Å²	62.4	44%	0.438	35%	0.346	S	S	.	.	H	α-helix	trans	-61.8	-37.6	176.9	0	0	0	0	0	112.2	E17 N18 I19 C23 Q24	E17-A21 WeakPolarHBondContact O-CB 3Å; E17-A21 PolarHBondContact O-N 3.28Å; N18-A21 PolarHBondContact O-N 2.82Å; I19-A21 VanDerWaalsContact C-N 3.32Å; I19-A21 PolarHBondContact O-N 3.18Å; A21-C23 PolarHBondContact O-N 3.44Å; A21-Q24 PolarHBondContact O-N 3.37Å
22	A	97.4	Very high	95.7	Very high	7 Å²	7	61.1 Å²	61.1	6%	0.058	34%	0.339	C	S	.	.	H	α-helix	trans	-65.4	-23.4	174.9	0	0	0	0	0	113.4	N18 I19 K20 T28 N29 A32 I33	N18-A22 WeakPolarHBondContact O-CB 3.28Å; N18-A22 PolarHBondContact O-N 3.28Å; I19-A22 WeakPolarHBondContact O-CB 3.44Å; I19-A22 PolarHBondContact O-N 3.32Å; K20-A22 VanDerWaalsContact C-N 3.31Å; K20-A22 PolarHBondContact O-N 3.18Å; A22-T28 CarbonylContact O-C 3.42Å; A22-T28 WeakPolarHBondContact O-CA 3.49Å; A22-N29 HydrophobicContact CB-CB 4.06Å; A22-N29 PolarHBondContact O-N 3.27Å; A22-A32 HydrophobicContact CB-CB 3.9Å; A22-I33 HydrophobicContact CB-CG1 3.94Å
23	C	96.2	Very high	95.7	Very high	11 Å²	11	59.6 Å²	59.6	7%	0.074	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	4.3	176.6	-59.1	0	0	0	0	113.3	I19 K20 A21 Q63 E67	I19-C23 PolarHBondContact O-N 3.09Å; I19-C23 PolarHBondContact O-SG 2.65Å; K20-C23 CarbonylContact O-C 3.54Å; K20-C23 PolarHBondContact O-N 2.89Å; K20-C23 VanDerWaalsContact O-N 3.09Å; A21-C23 PolarHBondContact O-N 3.44Å; C23-Q63 HydrophobicContact CB-CG 4.36Å; C23-E67 HydrophobicContact CB-CG 3.8Å
24	Q	93.1	Very high	95.7	Very high	133 Å²	133	57 Å²	57	62%	0.621	31%	0.313	S	S	*	.	S	Bend	trans	-98	138.3	-179.3	-79.3	175	-1.3	0	0	111.9	K20 A21	K20-Q24 WeakPolarHBondContact O-CG 3.46Å; K20-Q24 PolarHBondContact O-N 2.83Å; A21-Q24 PolarHBondContact O-N 3.37Å
25	G	89.9	Confident	95.6	Very high	71 Å²	71	52.5 Å²	52.5	73%	0.732	29%	0.293	S	S	*	.	S	Bend	trans	101.4	-153.7	173.4	0	0	0	0	0	113.1
26	W	83.5	Confident	95.5	Very high	273 Å²	273	52.3 Å²	52.3	100%	1.034	29%	0.292	S	S	*	.	S	Bend	trans	-85.4	114.3	177.4	-78.4	78.7	0	0	0	109.9
27	G	91	Very high	95.4	Very high	54 Å²	54	52.3 Å²	52.3	56%	0.557	29%	0.292	S	S	*	.	S	Bend	trans	78.1	-176.8	-175.3	0	0	0	0	0	112.4
28	T	95.3	Very high	95.4	Very high	24 Å²	24	47.9 Å²	47.9	15%	0.147	27%	0.271	C	S	.	.			trans	-117.4	147.8	-178.7	-47.2	0	0	0	0	108.4	A22 E30 I33 E67 L68	A22-T28 CarbonylContact O-C 3.42Å; A22-T28 WeakPolarHBondContact O-CA 3.49Å; T28-E30 PolarHBondContact O-N 3.09Å; T28-I33 HydrophobicContact CG2-CD1 3.5Å; T28-I33 VanDerWaalsContact CG2-CD1 3.5Å; T28-E67 HydrophobicContact CG2-CB 4.03Å; T28-E67 PolarHBondContact OG1-O 2.88Å; T28-E67 PolarHBondContact OG1-OE2 3.14Å; T28-L68 HydrophobicContact CG2-CD2 4.05Å
29	N	96.3	Very high	95.3	Very high	81 Å²	81	45 Å²	45	43%	0.433	26%	0.255	S	S	.	.			trans	-93.5	80.1	170.9	-174.5	-10.3	0	0	0	109.5	A22 N31 A32 I33	A22-N29 HydrophobicContact CB-CB 4.06Å; A22-N29 PolarHBondContact O-N 3.27Å; N29-N31 PolarHBondContact O-N 3.39Å; N29-A32 HydrophobicContact CB-CB 4.15Å; N29-A32 WeakPolarHBondContact O-CB 3.28Å; N29-A32 PolarHBondContact O-N 2.83Å; N29-A32 VanDerWaalsContact O-N 3.1Å; N29-A32 PolarHBondContact OD1-N 3.35Å; N29-A32 VanDerWaalsContact OD1-N 3.12Å; N29-I33 PolarHBondContact O-N 3.21Å
30	E	96.8	Very high	95.3	Very high	53 Å²	53	45.4 Å²	45.4	25%	0.248	26%	0.257	C	S	.	.	H	α-helix	trans	-59.7	-34.2	-176.9	-62.6	84	177.6	0	0	112	T28 A32 I33 I34 L68 F72 D301	T28-E30 PolarHBondContact O-N 3.09Å; E30-A32 VanDerWaalsContact C-N 3.35Å; E30-A32 PolarHBondContact O-N 3.24Å; E30-I33 PolarHBondContact O-N 3.04Å; E30-I34 WeakPolarHBondContact O-CB 3.32Å; E30-I34 VanDerWaalsContact O-CG1 3.22Å; E30-I34 WeakPolarHBondContact O-CG1 3.48Å; E30-I34 PolarHBondContact O-N 2.94Å; E30-L68 HydrophobicContact CG-CD2 4.03Å; E30-F72 HydrophobicContact CB-CE1 3.71Å; E30-F72 HydrophobicContact CB-CZ 4.16Å; E30-F72 HydrophobicContact CG-CD1 4.21Å; E30-F72 HydrophobicContact CG-CE1 3.54Å; E30-F72 HydrophobicContact CG-CZ 4.45Å; E30-D301 HydrophobicContact CB-CB 3.91Å; E30-D301 HydrophobicContact CG-CB 4.27Å
31	N	95.8	Very high	95.2	Very high	104 Å²	104	46 Å²	46	56%	0.556	26%	0.262	S	S	*	.	H	α-helix	trans	-61.5	-41.8	176.5	-74.2	-52.5	0	0	0	112.2	N29 I34 S35	N29-N31 PolarHBondContact O-N 3.39Å; N31-I34 PolarHBondContact O-N 3.49Å; N31-S35 WeakPolarHBondContact O-CB 3.38Å; N31-S35 PolarHBondContact O-N 3.43Å; N31-S35 PolarHBondContact O-OG 2.87Å
32	A	96	Very high	95.1	Very high	16 Å²	16	46.3 Å²	46.3	13%	0.132	26%	0.256	C	S	.	.	H	α-helix	trans	-63.4	-46.5	174.7	0	0	0	0	0	110.8	A22 N29 E30 I34 S35 I36	A22-A32 HydrophobicContact CB-CB 3.9Å; N29-A32 HydrophobicContact CB-CB 4.15Å; N29-A32 WeakPolarHBondContact O-CB 3.28Å; N29-A32 PolarHBondContact O-N 2.83Å; N29-A32 VanDerWaalsContact O-N 3.1Å; N29-A32 PolarHBondContact OD1-N 3.35Å; N29-A32 VanDerWaalsContact OD1-N 3.12Å; E30-A32 VanDerWaalsContact C-N 3.35Å; E30-A32 PolarHBondContact O-N 3.24Å; A32-I34 VanDerWaalsContact C-N 3.32Å; A32-I34 PolarHBondContact O-N 3.19Å; A32-S35 WeakPolarHBondContact CA-OG 3.42Å; A32-S35 PolarHBondContact O-N 2.85Å; A32-S35 PolarHBondContact O-OG 3.42Å; A32-I36 WeakPolarHBondContact O-CG1 3.4Å; A32-I36 PolarHBondContact O-N 3.2Å; A32-I36 VanDerWaalsContact O-N 3.13Å
33	I	97.6	Very high	95.1	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-57.5	-44.8	176.5	-64	175.3	0	0	0	111.1	A22 T28 N29 E30 I36 L37 L64 L68 I76	A22-I33 HydrophobicContact CB-CG1 3.94Å; T28-I33 HydrophobicContact CG2-CD1 3.5Å; T28-I33 VanDerWaalsContact CG2-CD1 3.5Å; N29-I33 PolarHBondContact O-N 3.21Å; E30-I33 PolarHBondContact O-N 3.04Å; I33-I36 PolarHBondContact O-N 3.48Å; I33-L37 HydrophobicContact CG2-CD1 3.78Å; I33-L37 HydrophobicContact CG2-CG 4.41Å; I33-L37 WeakPolarHBondContact O-CB 3.49Å; I33-L37 PolarHBondContact O-N 3.43Å; I33-L64 HydrophobicContact CD1-CD2 4.23Å; I33-L64 HydrophobicContact CG2-CD2 4.07Å; I33-L68 HydrophobicContact CD1-CD2 4.15Å; I33-I76 HydrophobicContact CG2-CD1 4.38Å
34	I	97.5	Very high	95.2	Very high	13 Å²	13	52.3 Å²	52.3	7%	0.067	28%	0.28	C	S	.	.	H	α-helix	trans	-65.7	-44.7	179	-69.1	166.5	0	0	0	111.2	E30 N31 A32 I36 G38 F72 D301 A304 F305 A308	E30-I34 WeakPolarHBondContact O-CB 3.32Å; E30-I34 VanDerWaalsContact O-CG1 3.22Å; E30-I34 WeakPolarHBondContact O-CG1 3.48Å; E30-I34 PolarHBondContact O-N 2.94Å; N31-I34 PolarHBondContact O-N 3.49Å; A32-I34 VanDerWaalsContact C-N 3.32Å; A32-I34 PolarHBondContact O-N 3.19Å; I34-I36 PolarHBondContact O-N 3.1Å; I34-G38 WeakPolarHBondContact O-CA 3.29Å; I34-G38 PolarHBondContact O-N 3.48Å; I34-F72 HydrophobicContact CD1-CE2 3.85Å; I34-F72 HydrophobicContact CD1-CZ 3.81Å; I34-F72 HydrophobicContact CG1-CE2 3.76Å; I34-F72 HydrophobicContact CG1-CZ 3.68Å; I34-D301 HydrophobicContact CD1-CB 3.96Å; I34-D301 WeakPolarHBondContact CD1-O 3.47Å; I34-A304 HydrophobicContact CD1-CB 3.95Å; I34-F305 HydrophobicContact CD1-CB 4.17Å; I34-F305 HydrophobicContact CG1-CB 4.08Å; I34-F305 HydrophobicContact CG1-CD2 4.34Å; I34-A308 HydrophobicContact CG2-CB 4.11Å
35	S	95.2	Very high	95.4	Very high	14 Å²	14	46 Å²	46	10%	0.098	25%	0.25	C	S	.	.	H	α-helix	trans	-63.8	-24.9	-179.3	65.7	0	0	0	0	113.4	N31 A32 H39 L316	N31-S35 WeakPolarHBondContact O-CB 3.38Å; N31-S35 PolarHBondContact O-N 3.43Å; N31-S35 PolarHBondContact O-OG 2.87Å; A32-S35 WeakPolarHBondContact CA-OG 3.42Å; A32-S35 PolarHBondContact O-N 2.85Å; A32-S35 PolarHBondContact O-OG 3.42Å; S35-H39 PolarHBondContact O-CD2 3.09Å; S35-L316 WeakPolarHBondContact OG-CD1 3.37Å; S35-L316 VanDerWaalsContact OG-CG 3.28Å; S35-L316 WeakPolarHBondContact OG-CG 3.45Å
36	I	96.5	Very high	95.8	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-87	-74.3	171.6	-59.5	166	0	0	0	108.9	D15 N18 I19 A32 I33 I34 G38 H39 R40 I48	D15-I36 HydrophobicContact CB-CG2 3.96Å; N18-I36 HydrophobicContact CB-CD1 3.62Å; I19-I36 HydrophobicContact CD1-CG2 4.1Å; I19-I36 HydrophobicContact CG1-CD1 3.95Å; I19-I36 HydrophobicContact CG1-CG2 4.33Å; A32-I36 WeakPolarHBondContact O-CG1 3.4Å; A32-I36 PolarHBondContact O-N 3.2Å; A32-I36 VanDerWaalsContact O-N 3.13Å; I33-I36 PolarHBondContact O-N 3.48Å; I34-I36 PolarHBondContact O-N 3.1Å; I36-G38 VanDerWaalsContact C-N 3.34Å; I36-G38 PolarHBondContact O-N 3.38Å; I36-H39 CarbonylContact O-C 3.59Å; I36-H39 WeakPolarHBondContact O-CA 3.46Å; I36-H39 PolarHBondContact O-N 3.07Å; I36-R40 HydrophobicContact CG2-CG 4.3Å; I36-R40 VanDerWaalsContact O-CG 3.28Å; I36-R40 WeakPolarHBondContact O-CG 3.39Å; I36-R40 PolarHBondContact O-N 2.98Å; I36-I48 HydrophobicContact CG2-CD1 4.49Å
37	L	97.3	Very high	96.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-65.3	-34.4	-168.5	-65.3	178.9	0	0	0	113	I19 I33 H39 R40 L64 I76 W79 V80	I19-L37 HydrophobicContact CD1-CD1 4.46Å; I19-L37 HydrophobicContact CD1-CD2 3.86Å; I19-L37 HydrophobicContact CD1-CG 4.09Å; I33-L37 HydrophobicContact CG2-CD1 3.78Å; I33-L37 HydrophobicContact CG2-CG 4.41Å; I33-L37 WeakPolarHBondContact O-CB 3.49Å; I33-L37 PolarHBondContact O-N 3.43Å; L37-H39 PolarHBondContact O-N 3.28Å; L37-H39 VanDerWaalsContact O-N 3.13Å; L37-R40 PolarHBondContact O-N 3.08Å; L37-L64 HydrophobicContact CD1-CD1 3.91Å; L37-L64 HydrophobicContact CD1-CD2 4.26Å; L37-I76 HydrophobicContact CB-CD1 4.45Å; L37-I76 HydrophobicContact CD1-CD1 4.46Å; L37-I76 HydrophobicContact CD1-CG2 4.15Å; L37-W79 PolarHBondContact O-NE1 2.88Å; L37-V80 HydrophobicContact CD1-CG2 3.71Å; L37-V80 HydrophobicContact CD2-CG2 4.07Å; L37-V80 HydrophobicContact CG-CG2 4.42Å
38	G	96.7	Very high	96.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-5.4	174.1	0	0	0	0	0	114.3	I4 I34 I36	I4-G38 WeakPolarHBondContact CD1-O 3.22Å; I34-G38 WeakPolarHBondContact O-CA 3.29Å; I34-G38 PolarHBondContact O-N 3.48Å; I36-G38 VanDerWaalsContact C-N 3.34Å; I36-G38 PolarHBondContact O-N 3.38Å
39	H	96.1	Very high	97	Very high	6 Å²	6	34.7 Å²	34.7	3%	0.028	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.7	26.4	179.7	-64.2	-71.5	0	0	0	112.7	V5 S6 P7 S35 I36 L37 H312 Q315	V5-H39 PolarHBondContact O-ND1 2.95Å; S6-H39 WeakPolarHBondContact CA-O 3.47Å; P7-H39 WeakPolarHBondContact CD-O 3.38Å; S35-H39 PolarHBondContact O-CD2 3.09Å; I36-H39 CarbonylContact O-C 3.59Å; I36-H39 WeakPolarHBondContact O-CA 3.46Å; I36-H39 PolarHBondContact O-N 3.07Å; L37-H39 PolarHBondContact O-N 3.28Å; L37-H39 VanDerWaalsContact O-N 3.13Å; H39-H312 PolarHBondContact CE1-O 3.45Å; H39-H312 VanDerWaalsContact CE1-O 3.29Å; H39-Q315 HydrophobicContact CB-CG 4Å
40	R	97	Very high	97.1	Very high	9 Å²	9	35.2 Å²	35.2	3%	0.034	17%	0.171	C	C	.	.			trans	-118.7	132.2	172.9	-65.9	-65.2	-179.2	-84	-0.4	110.4	P7 D15 I36 L37 Q44 R45 I48 W79	P7-R40 VanDerWaalsContact CG-NH1 3.3Å; D15-R40 IonicContact OD1-CZ 3.54Å; D15-R40 IonicContact OD1-NE 3.24Å; D15-R40 IonicContact OD1-NH2 2.74Å; D15-R40 PolarHBondContact OD1-NH2 3.36Å; D15-R40 IonicContact OD2-CZ 3.46Å; D15-R40 IonicContact OD2-NE 3.76Å; D15-R40 PolarHBondContact OD2-NE 3.13Å; D15-R40 IonicContact OD2-NH2 3.38Å; D15-R40 PolarHBondContact OD2-NH2 3.43Å; I36-R40 HydrophobicContact CG2-CG 4.3Å; I36-R40 VanDerWaalsContact O-CG 3.28Å; I36-R40 WeakPolarHBondContact O-CG 3.39Å; I36-R40 PolarHBondContact O-N 2.98Å; L37-R40 PolarHBondContact O-N 3.08Å; R40-Q44 HydrophobicContact CB-CB 3.96Å; R40-Q44 HydrophobicContact CG-CB 4.4Å; R40-R45 HydrophobicContact CB-CG 3.75Å; R40-R45 PolarHBondContact O-NH1 3.33Å; R40-I48 HydrophobicContact CB-CD1 4.15Å; R40-I48 HydrophobicContact CG-CD1 3.66Å; R40-W79 WeakPolarHBondContact O-CZ2 3.43Å
41	N	96.4	Very high	97.1	Very high	43 Å²	43	33 Å²	33	23%	0.23	16%	0.162	C	C	.	.			trans	-79	172.5	176.4	68.4	44.4	0	0	0	111.7	S6 F43 Q44 R45 E272	S6-N41 PolarHBondContact OG-ND2 3.25Å; S6-N41 VanDerWaalsContact OG-ND2 3.09Å; N41-F43 VanDerWaalsContact C-N 3.3Å; N41-F43 PolarHBondContact O-N 3.2Å; N41-F43 PolarHBondContact OD1-N 2.83Å; N41-F43 VanDerWaalsContact OD1-N 3.16Å; N41-Q44 PolarHBondContact ND2-OE1 3.42Å; N41-Q44 WeakPolarHBondContact O-CB 3.5Å; N41-Q44 PolarHBondContact O-N 3.23Å; N41-Q44 WeakPolarHBondContact OD1-CG 3.37Å; N41-Q44 PolarHBondContact OD1-N 3.13Å; N41-R45 WeakPolarHBondContact O-CG 3.46Å; N41-R45 PolarHBondContact O-N 3.41Å; N41-R45 PolarHBondContact O-NH1 2.85Å; N41-E272 VanDerWaalsContact C-OE1 3.26Å; N41-E272 WeakPolarHBondContact CA-OE1 3.41Å
42	L	96.6	Very high	97.3	Very high	60 Å²	60	28 Å²	28	31%	0.314	14%	0.135	S	C	.	.	H	α-helix	trans	-51.7	-47.9	-175.2	176.2	59.5	0	0	0	112.8	Q44 R45 K46 P83 E272	L42-Q44 VanDerWaalsContact C-N 3.34Å; L42-Q44 PolarHBondContact O-N 3.25Å; L42-R45 VanDerWaalsContact N-NH1 3.16Å; L42-R45 PolarHBondContact O-N 2.92Å; L42-K46 WeakPolarHBondContact O-CB 3.49Å; L42-K46 PolarHBondContact O-N 3.39Å; L42-P83 HydrophobicContact CD1-CG 4.03Å; L42-P83 HydrophobicContact CD2-CG 3.81Å; L42-E272 WeakPolarHBondContact CB-OE2 3.39Å; L42-E272 PolarHBondContact N-OE1 3.43Å
43	F	96.8	Very high	97.4	Very high	138 Å²	138	31.2 Å²	31.2	61%	0.605	15%	0.147	S	C	*	.	H	α-helix	trans	-62.1	-44.6	-179.6	175.6	-101	0	0	0	111.2	N41 K46 L47	N41-F43 VanDerWaalsContact C-N 3.3Å; N41-F43 PolarHBondContact O-N 3.2Å; N41-F43 PolarHBondContact OD1-N 2.83Å; N41-F43 VanDerWaalsContact OD1-N 3.16Å; F43-K46 PolarHBondContact O-N 3.48Å; F43-L47 HydrophobicContact CD1-CD1 3.93Å; F43-L47 HydrophobicContact CE1-CD1 3.34Å; F43-L47 HydrophobicContact CE1-CG 4.47Å; F43-L47 HydrophobicContact CE2-CD1 4.13Å; F43-L47 HydrophobicContact CZ-CD1 3.46Å; F43-L47 VanDerWaalsContact CZ-CD1 3.46Å; F43-L47 HydrophobicContact CZ-CG 4.36Å; F43-L47 WeakPolarHBondContact O-CG 3.44Å; F43-L47 PolarHBondContact O-N 3.17Å; F43-L47 VanDerWaalsContact O-N 3.16Å
44	Q	97.9	Very high	97.4	Very high	6 Å²	6	38.1 Å²	38.1	3%	0.028	18%	0.18	C	C	.	.	H	α-helix	trans	-65	-47.4	177.5	-65.3	173.3	-36.6	0	0	111.8	P7 F10 R40 N41 L42 K46 L47 I48	P7-Q44 PolarHBondContact O-NE2 3.13Å; F10-Q44 HydrophobicContact CD1-CG 3.85Å; F10-Q44 VanDerWaalsContact CD1-NE2 3.31Å; F10-Q44 HydrophobicContact CD2-CB 4.05Å; F10-Q44 HydrophobicContact CD2-CG 3.88Å; F10-Q44 HydrophobicContact CE1-CG 3.67Å; F10-Q44 HydrophobicContact CE2-CB 3.74Å; F10-Q44 HydrophobicContact CE2-CG 3.67Å; F10-Q44 HydrophobicContact CG-CG 3.97Å; F10-Q44 HydrophobicContact CZ-CB 4.07Å; F10-Q44 HydrophobicContact CZ-CG 3.59Å; R40-Q44 HydrophobicContact CB-CB 3.96Å; R40-Q44 HydrophobicContact CG-CB 4.4Å; N41-Q44 PolarHBondContact ND2-OE1 3.42Å; N41-Q44 WeakPolarHBondContact O-CB 3.5Å; N41-Q44 PolarHBondContact O-N 3.23Å; N41-Q44 WeakPolarHBondContact OD1-CG 3.37Å; N41-Q44 PolarHBondContact OD1-N 3.13Å; L42-Q44 VanDerWaalsContact C-N 3.34Å; L42-Q44 PolarHBondContact O-N 3.25Å; Q44-K46 VanDerWaalsContact C-N 3.27Å; Q44-K46 PolarHBondContact O-N 2.86Å; Q44-L47 PolarHBondContact O-N 2.97Å; Q44-L47 VanDerWaalsContact O-N 3.12Å; Q44-I48 VanDerWaalsContact O-CG1 3.24Å; Q44-I48 WeakPolarHBondContact O-CG1 3.31Å; Q44-I48 PolarHBondContact O-N 2.81Å
45	R	98	Very high	97.5	Very high	1 Å²	1	40.7 Å²	40.7	0%	0.004	19%	0.193	C	C	.	.	H	α-helix	trans	-59	-39.6	178.7	-67.6	-166.1	-51.5	-78.5	1.3	112.1	R40 N41 L42 I48 R49 W79 E272	R40-R45 HydrophobicContact CB-CG 3.75Å; R40-R45 PolarHBondContact O-NH1 3.33Å; N41-R45 WeakPolarHBondContact O-CG 3.46Å; N41-R45 PolarHBondContact O-N 3.41Å; N41-R45 PolarHBondContact O-NH1 2.85Å; L42-R45 VanDerWaalsContact N-NH1 3.16Å; L42-R45 PolarHBondContact O-N 2.92Å; R45-I48 PolarHBondContact O-N 3.17Å; R45-R49 WeakPolarHBondContact O-CB 3.43Å; R45-R49 PolarHBondContact O-N 3.4Å; R45-W79 VanDerWaalsContact CD-NE1 3.32Å; R45-W79 VanDerWaalsContact CZ-CE2 3.46Å; R45-W79 PolarHBondContact NE-O 3.1Å; R45-W79 VanDerWaalsContact NH1-CE2 3.28Å; R45-W79 PolarHBondContact NH2-O 3.13Å; R45-E272 IonicContact CZ-OE1 3.64Å; R45-E272 IonicContact CZ-OE2 2.9Å; R45-E272 IonicContact NH1-OE1 2.86Å; R45-E272 PolarHBondContact NH1-OE1 3.04Å; R45-E272 IonicContact NH1-OE2 3.4Å; R45-E272 IonicContact NH2-OE1 2.78Å; R45-E272 IonicContact NH2-OE2 2.72Å; R45-E272 PolarHBondContact NH2-OE2 3.43Å
46	K	97.7	Very high	97.6	Very high	88 Å²	88	43 Å²	43	38%	0.383	20%	0.2	S	C	.	.	H	α-helix	trans	-61.4	-46.2	175.1	-177.4	168.6	-172.3	133.8	0	112	L42 F43 Q44 R49 Q50 D82	L42-K46 WeakPolarHBondContact O-CB 3.49Å; L42-K46 PolarHBondContact O-N 3.39Å; F43-K46 PolarHBondContact O-N 3.48Å; Q44-K46 VanDerWaalsContact C-N 3.27Å; Q44-K46 PolarHBondContact O-N 2.86Å; K46-R49 PolarHBondContact O-N 3.36Å; K46-Q50 WeakPolarHBondContact O-CG 3.36Å; K46-Q50 PolarHBondContact O-N 2.74Å; K46-D82 IonicContact NZ-OD2 2.73Å; K46-D82 PolarHBondContact NZ-OD2 3.07Å
47	L	98.2	Very high	97.6	Very high	47 Å²	47	50.2 Å²	50.2	25%	0.246	23%	0.233	C	C	.	.	H	α-helix	trans	-65.9	-38.9	177.2	-70.5	173	0	0	0	112.4	F10 P12 F43 Q44 Q50 A51	F10-L47 HydrophobicContact CE2-CB 4.49Å; F10-L47 HydrophobicContact CE2-CD1 4.41Å; F10-L47 HydrophobicContact CZ-CD1 3.69Å; P12-L47 HydrophobicContact CB-CB 3.87Å; P12-L47 HydrophobicContact CG-CB 3.74Å; P12-L47 HydrophobicContact CG-CD1 4.26Å; F43-L47 HydrophobicContact CD1-CD1 3.93Å; F43-L47 HydrophobicContact CE1-CD1 3.34Å; F43-L47 HydrophobicContact CE1-CG 4.47Å; F43-L47 HydrophobicContact CE2-CD1 4.13Å; F43-L47 HydrophobicContact CZ-CD1 3.46Å; F43-L47 VanDerWaalsContact CZ-CD1 3.46Å; F43-L47 HydrophobicContact CZ-CG 4.36Å; F43-L47 WeakPolarHBondContact O-CG 3.44Å; F43-L47 PolarHBondContact O-N 3.17Å; F43-L47 VanDerWaalsContact O-N 3.16Å; Q44-L47 PolarHBondContact O-N 2.97Å; Q44-L47 VanDerWaalsContact O-N 3.12Å; L47-Q50 PolarHBondContact O-N 3.38Å; L47-A51 WeakPolarHBondContact O-CB 3.44Å; L47-A51 PolarHBondContact O-N 3.25Å
48	I	98.4	Very high	97.6	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-61.5	-46.1	175.5	-65.2	164.4	0	0	0	110.2	D15 A16 I19 I36 R40 Q44 R45 Q50 A51 Y52 L60	D15-I48 HydrophobicContact CB-CD1 3.77Å; D15-I48 HydrophobicContact CB-CG1 3.72Å; D15-I48 HydrophobicContact CB-CG2 4.26Å; D15-I48 WeakPolarHBondContact OD2-CD1 3.17Å; A16-I48 HydrophobicContact CB-CG2 4.47Å; I19-I48 HydrophobicContact CD1-CG2 3.79Å; I36-I48 HydrophobicContact CG2-CD1 4.49Å; R40-I48 HydrophobicContact CB-CD1 4.15Å; R40-I48 HydrophobicContact CG-CD1 3.66Å; Q44-I48 VanDerWaalsContact O-CG1 3.24Å; Q44-I48 WeakPolarHBondContact O-CG1 3.31Å; Q44-I48 PolarHBondContact O-N 2.81Å; R45-I48 PolarHBondContact O-N 3.17Å; I48-Q50 VanDerWaalsContact C-N 3.31Å; I48-Q50 PolarHBondContact O-N 2.94Å; I48-A51 PolarHBondContact O-N 3.22Å; I48-Y52 VanDerWaalsContact O-CB 3.29Å; I48-Y52 WeakPolarHBondContact O-CB 3.26Å; I48-Y52 PolarHBondContact O-N 3.48Å; I48-L60 HydrophobicContact CG2-CD2 4Å
49	R	98.1	Very high	97.6	Very high	48 Å²	48	56.3 Å²	56.3	18%	0.181	26%	0.263	C	S	.	.	H	α-helix	trans	-62	-38.9	177.9	-176.4	171.6	177.1	-153.3	-1.8	112.1	R45 K46 Q53 D59 L60 E85	R45-R49 WeakPolarHBondContact O-CB 3.43Å; R45-R49 PolarHBondContact O-N 3.4Å; K46-R49 PolarHBondContact O-N 3.36Å; R49-Q53 PolarHBondContact O-N 3.26Å; R49-Q53 VanDerWaalsContact O-N 3.17Å; R49-D59 IonicContact CZ-OD1 3.92Å; R49-D59 IonicContact NE-OD1 3.16Å; R49-D59 PolarHBondContact NE-OD1 3.2Å; R49-D59 IonicContact NH2-OD1 3.83Å; R49-D59 PolarHBondContact NH2-OD1 3.41Å; R49-D59 IonicContact NH2-OD2 2.94Å; R49-L60 HydrophobicContact CB-CB 4.47Å; R49-L60 HydrophobicContact CB-CD2 4.27Å; R49-L60 HydrophobicContact CG-CB 4.13Å; R49-E85 IonicContact CZ-OE2 3.68Å; R49-E85 IonicContact NH1-OE1 2.81Å; R49-E85 IonicContact NH1-OE2 3.04Å; R49-E85 PolarHBondContact NH1-OE2 2.93Å; R49-E85 IonicContact NH2-OE1 3.76Å; R49-E85 IonicContact NH2-OE2 3.26Å
50	Q	98.2	Very high	97.7	Very high	92 Å²	92	56 Å²	56	43%	0.43	26%	0.262	S	S	.	.	H	α-helix	trans	-65.3	-50.7	174.6	-73.3	175.1	-24.6	0	0	111.8	K46 L47 I48 Y52 Q53 E54	K46-Q50 WeakPolarHBondContact O-CG 3.36Å; K46-Q50 PolarHBondContact O-N 2.74Å; L47-Q50 PolarHBondContact O-N 3.38Å; I48-Q50 VanDerWaalsContact C-N 3.31Å; I48-Q50 PolarHBondContact O-N 2.94Å; Q50-Y52 VanDerWaalsContact C-N 3.31Å; Q50-Y52 PolarHBondContact O-N 2.85Å; Q50-Q53 PolarHBondContact O-N 3.49Å; Q50-Q53 VanDerWaalsContact O-N 3.17Å; Q50-E54 WeakPolarHBondContact O-CG 3.49Å; Q50-E54 PolarHBondContact O-N 3.19Å
51	A	98.5	Very high	97.7	Very high	7 Å²	7	56 Å²	56	6%	0.058	26%	0.262	C	S	.	.	H	α-helix	trans	-58.7	-42.9	177.9	0	0	0	0	0	111.8	P12 V13 A16 L47 I48 Q53 E54 I55	P12-A51 HydrophobicContact CB-CB 4.06Å; V13-A51 HydrophobicContact CG2-CB 4.33Å; A16-A51 HydrophobicContact CB-CB 4.26Å; L47-A51 WeakPolarHBondContact O-CB 3.44Å; L47-A51 PolarHBondContact O-N 3.25Å; I48-A51 PolarHBondContact O-N 3.22Å; A51-Q53 VanDerWaalsContact C-N 3.34Å; A51-Q53 PolarHBondContact O-N 3.1Å; A51-E54 PolarHBondContact O-N 3.28Å; A51-I55 HydrophobicContact CB-CD1 4.48Å; A51-I55 WeakPolarHBondContact O-CB 3.06Å; A51-I55 WeakPolarHBondContact O-CD1 2.99Å; A51-I55 VanDerWaalsContact O-CG1 3.22Å; A51-I55 WeakPolarHBondContact O-CG1 3.39Å; A51-I55 PolarHBondContact O-N 3.34Å
52	Y	98.6	Very high	97.7	Very high	0 Å²	0	60 Å²	60	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-59.6	-44	176.9	-167.6	-80.8	0	0	0	111.8	A16 I19 K20 I48 Q50 Y56 E58 L60 Q63	A16-Y52 HydrophobicContact CB-CD2 4.09Å; I19-Y52 HydrophobicContact CG2-CE2 4.45Å; K20-Y52 HydrophobicContact CB-CE2 4.09Å; K20-Y52 HydrophobicContact CD-CE2 4.07Å; K20-Y52 WeakPolarHBondContact CD-OH 3.34Å; K20-Y52 PolarHBondContact NZ-OH 3.3Å; I48-Y52 VanDerWaalsContact O-CB 3.29Å; I48-Y52 WeakPolarHBondContact O-CB 3.26Å; I48-Y52 PolarHBondContact O-N 3.48Å; Q50-Y52 VanDerWaalsContact C-N 3.31Å; Q50-Y52 PolarHBondContact O-N 2.85Å; Y52-Y56 HydrophobicContact CD1-CD2 4.25Å; Y52-Y56 AromaticContact CD2-CD2 3.81Å; Y52-Y56 HydrophobicContact CD2-CD2 3.81Å; Y52-Y56 HydrophobicContact CD2-CE2 4.09Å; Y52-Y56 HydrophobicContact CE1-CD2 4.2Å; Y52-Y56 AromaticContact CE2-CD2 3.76Å; Y52-Y56 HydrophobicContact CE2-CD2 3.76Å; Y52-Y56 HydrophobicContact CE2-CE2 4.05Å; Y52-Y56 HydrophobicContact CG-CD2 4.04Å; Y52-Y56 AromaticContact CZ-CD2 3.94Å; Y52-Y56 WeakPolarHBondContact O-CB 3.48Å; Y52-Y56 PolarHBondContact O-N 2.87Å; Y52-E58 VanDerWaalsContact CD1-O 3.3Å; Y52-E58 WeakPolarHBondContact CD1-O 3.49Å; Y52-E58 HydrophobicContact CE1-CB 3.93Å; Y52-L60 HydrophobicContact CD1-CB 4Å; Y52-L60 HydrophobicContact CD1-CD1 4.46Å; Y52-L60 HydrophobicContact CD2-CD1 3.9Å; Y52-L60 HydrophobicContact CE2-CD1 4.09Å; Y52-L60 HydrophobicContact CG-CB 4.06Å; Y52-L60 HydrophobicContact CG-CD1 4.12Å; Y52-Q63 HydrophobicContact CE1-CB 4.24Å; Y52-Q63 WeakPolarHBondContact OH-CB 3.23Å; Y52-Q63 WeakPolarHBondContact OH-CG 3.32Å; Y52-Q63 PolarHBondContact OH-OE1 3.2Å
53	Q	98.3	Very high	97.8	Very high	82 Å²	82	57.9 Å²	57.9	38%	0.383	27%	0.268	S	S	.	.	H	α-helix	trans	-66.5	-35.3	176.1	179.7	64.4	61.2	0	0	112.9	R49 Q50 A51 H57 E58	R49-Q53 PolarHBondContact O-N 3.26Å; R49-Q53 VanDerWaalsContact O-N 3.17Å; Q50-Q53 PolarHBondContact O-N 3.49Å; Q50-Q53 VanDerWaalsContact O-N 3.17Å; A51-Q53 VanDerWaalsContact C-N 3.34Å; A51-Q53 PolarHBondContact O-N 3.1Å; Q53-H57 PolarHBondContact NE2-O 3.09Å; Q53-H57 WeakPolarHBondContact O-CA 3.47Å; Q53-H57 PolarHBondContact O-N 3.36Å; Q53-E58 WeakPolarHBondContact CA-O 3.31Å; Q53-E58 PolarHBondContact OE1-O 2.96Å
54	E	98.3	Very high	97.8	Very high	146 Å²	146	51.3 Å²	51.3	68%	0.682	24%	0.239	S	C	*	.	H	α-helix	trans	-70.5	-42.2	178.1	-73.7	173.8	-174.6	0	0	112.2	Q50 A51 H57	Q50-E54 WeakPolarHBondContact O-CG 3.49Å; Q50-E54 PolarHBondContact O-N 3.19Å; A51-E54 PolarHBondContact O-N 3.28Å; E54-H57 PolarHBondContact O-CE1 3.41Å
55	I	98.1	Very high	97.8	Very high	66 Å²	66	55.9 Å²	55.9	34%	0.338	26%	0.259	S	S	.	.	H	α-helix	trans	-79.1	-44.2	-175.4	-62.2	162.3	0	0	0	111.5	V13 A16 A51	V13-I55 HydrophobicContact CB-CD1 4.38Å; V13-I55 HydrophobicContact CG1-CD1 3.86Å; V13-I55 HydrophobicContact CG2-CD1 4.36Å; A16-I55 HydrophobicContact CB-CD1 4.48Å; A51-I55 HydrophobicContact CB-CD1 4.48Å; A51-I55 WeakPolarHBondContact O-CB 3.06Å; A51-I55 WeakPolarHBondContact O-CD1 2.99Å; A51-I55 VanDerWaalsContact O-CG1 3.22Å; A51-I55 WeakPolarHBondContact O-CG1 3.39Å; A51-I55 PolarHBondContact O-N 3.34Å
56	Y	97.9	Very high	97.7	Very high	63 Å²	63	59.3 Å²	59.3	25%	0.247	28%	0.283	C	S	.	.	H	α-helix	trans	-107.9	-6.5	-171.2	-59	-63.7	0	0	0	114.1	K20 Y52 E58	K20-Y56 HydrophobicContact CB-CD2 4.37Å; K20-Y56 HydrophobicContact CB-CE1 4.29Å; K20-Y56 HydrophobicContact CB-CE2 3.6Å; K20-Y56 HydrophobicContact CD-CD1 4.24Å; K20-Y56 HydrophobicContact CD-CD2 4.22Å; K20-Y56 HydrophobicContact CD-CE1 4.26Å; K20-Y56 HydrophobicContact CD-CE2 4.23Å; K20-Y56 HydrophobicContact CD-CG 4.23Å; K20-Y56 HydrophobicContact CG-CD1 4.28Å; K20-Y56 HydrophobicContact CG-CD2 4.4Å; K20-Y56 HydrophobicContact CG-CE1 3.79Å; K20-Y56 HydrophobicContact CG-CE2 3.92Å; Y52-Y56 HydrophobicContact CD1-CD2 4.25Å; Y52-Y56 AromaticContact CD2-CD2 3.81Å; Y52-Y56 HydrophobicContact CD2-CD2 3.81Å; Y52-Y56 HydrophobicContact CD2-CE2 4.09Å; Y52-Y56 HydrophobicContact CE1-CD2 4.2Å; Y52-Y56 AromaticContact CE2-CD2 3.76Å; Y52-Y56 HydrophobicContact CE2-CD2 3.76Å; Y52-Y56 HydrophobicContact CE2-CE2 4.05Å; Y52-Y56 HydrophobicContact CG-CD2 4.04Å; Y52-Y56 AromaticContact CZ-CD2 3.94Å; Y52-Y56 WeakPolarHBondContact O-CB 3.48Å; Y52-Y56 PolarHBondContact O-N 2.87Å; Y56-E58 PolarHBondContact O-N 3.39Å
57	H	97.8	Very high	97.6	Very high	152 Å²	152	58 Å²	58	70%	0.704	28%	0.278	S	S	*	.	S	Bend	trans	57.3	25.3	-175.5	-53.6	-49	0	0	0	114.1	Q53 E54	Q53-H57 PolarHBondContact NE2-O 3.09Å; Q53-H57 WeakPolarHBondContact O-CA 3.47Å; Q53-H57 PolarHBondContact O-N 3.36Å; E54-H57 PolarHBondContact O-CE1 3.41Å
58	E	96.9	Very high	97.6	Very high	78 Å²	78	56.2 Å²	56.2	36%	0.364	27%	0.269	S	S	.	.	S	Bend	trans	-125.9	147.9	-177.8	-72.9	171.1	-178.5	0	0	110.4	K20 Y52 Q53 Y56 Q63	K20-E58 IonicContact NZ-OE1 2.72Å; K20-E58 IonicContact NZ-OE2 3.58Å; K20-E58 PolarHBondContact NZ-OE2 2.94Å; Y52-E58 VanDerWaalsContact CD1-O 3.3Å; Y52-E58 WeakPolarHBondContact CD1-O 3.49Å; Y52-E58 HydrophobicContact CE1-CB 3.93Å; Q53-E58 WeakPolarHBondContact CA-O 3.31Å; Q53-E58 PolarHBondContact OE1-O 2.96Å; Y56-E58 PolarHBondContact O-N 3.39Å; E58-Q63 PolarHBondContact OE2-OE1 3.44Å
59	D	96.1	Very high	97.5	Very high	50 Å²	50	60.7 Å²	60.7	27%	0.267	30%	0.3	S	S	.	.			trans	-78.7	128.2	172.8	178.8	39	0	0	0	110.2	R49 I61 H62 Q63	R49-D59 IonicContact CZ-OD1 3.92Å; R49-D59 IonicContact NE-OD1 3.16Å; R49-D59 PolarHBondContact NE-OD1 3.2Å; R49-D59 IonicContact NH2-OD1 3.83Å; R49-D59 PolarHBondContact NH2-OD1 3.41Å; R49-D59 IonicContact NH2-OD2 2.94Å; D59-I61 PolarHBondContact O-N 2.93Å; D59-I61 WeakPolarHBondContact OD2-CB 3.28Å; D59-H62 HydrophobicContact CB-CB 4.24Å; D59-H62 WeakPolarHBondContact O-CB 3.29Å; D59-H62 PolarHBondContact O-N 3.26Å; D59-Q63 PolarHBondContact O-N 3.33Å; D59-Q63 VanDerWaalsContact O-N 3.12Å
60	L	98.2	Very high	97.5	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-56.7	-38	-180	175.7	59	0	0	0	112.3	I19 I48 R49 Y52 H62 Q63 L64 V80	I19-L60 HydrophobicContact CD1-CD1 4.45Å; I19-L60 HydrophobicContact CG2-CD1 3.78Å; I48-L60 HydrophobicContact CG2-CD2 4Å; R49-L60 HydrophobicContact CB-CB 4.47Å; R49-L60 HydrophobicContact CB-CD2 4.27Å; R49-L60 HydrophobicContact CG-CB 4.13Å; Y52-L60 HydrophobicContact CD1-CB 4Å; Y52-L60 HydrophobicContact CD1-CD1 4.46Å; Y52-L60 HydrophobicContact CD2-CD1 3.9Å; Y52-L60 HydrophobicContact CE2-CD1 4.09Å; Y52-L60 HydrophobicContact CG-CB 4.06Å; Y52-L60 HydrophobicContact CG-CD1 4.12Å; L60-H62 VanDerWaalsContact C-N 3.32Å; L60-H62 PolarHBondContact O-N 2.72Å; L60-Q63 PolarHBondContact O-N 2.98Å; L60-L64 HydrophobicContact CD1-CD1 3.96Å; L60-L64 HydrophobicContact CD1-CG 4.05Å; L60-L64 HydrophobicContact CG-CD1 3.86Å; L60-L64 HydrophobicContact CG-CG 4.41Å; L60-L64 VanDerWaalsContact O-CG 3.27Å; L60-L64 WeakPolarHBondContact O-CG 3.26Å; L60-L64 PolarHBondContact O-N 2.91Å; L60-V80 HydrophobicContact CD2-CG1 3.96Å; L60-V80 HydrophobicContact CG-CG1 4.35Å
61	I	97.1	Very high	97.4	Very high	9 Å²	9	57.9 Å²	57.9	5%	0.046	30%	0.301	C	S	.	.	H	α-helix	trans	-63.5	-40.4	177.3	-63.1	-69.7	0	0	0	110.9	D59 L64 K65 V80 L81	D59-I61 PolarHBondContact O-N 2.93Å; D59-I61 WeakPolarHBondContact OD2-CB 3.28Å; I61-L64 PolarHBondContact O-N 3.32Å; I61-K65 HydrophobicContact CG2-CD 4.19Å; I61-K65 HydrophobicContact CG2-CG 4.42Å; I61-K65 WeakPolarHBondContact O-CG 3.39Å; I61-K65 PolarHBondContact O-N 2.64Å; I61-V80 HydrophobicContact CD1-CB 3.45Å; I61-V80 VanDerWaalsContact CD1-CB 3.45Å; I61-V80 HydrophobicContact CD1-CG1 3.41Å; I61-V80 VanDerWaalsContact CD1-CG1 3.41Å; I61-V80 HydrophobicContact CG1-CG1 4.14Å; I61-L81 HydrophobicContact CD1-CD2 4.24Å; I61-L81 HydrophobicContact CD1-CG 4.06Å; I61-L81 HydrophobicContact CG1-CD2 4.1Å; I61-L81 HydrophobicContact CG1-CG 4.47Å
62	H	96.9	Very high	97.4	Very high	127 Å²	127	58.2 Å²	58.2	59%	0.588	30%	0.302	S	S	*	.	H	α-helix	trans	-62.6	-46.3	177.4	-179	-80.7	0	0	0	111.3	D59 L60 L64 K65 S66	D59-H62 HydrophobicContact CB-CB 4.24Å; D59-H62 WeakPolarHBondContact O-CB 3.29Å; D59-H62 PolarHBondContact O-N 3.26Å; L60-H62 VanDerWaalsContact C-N 3.32Å; L60-H62 PolarHBondContact O-N 2.72Å; H62-L64 PolarHBondContact O-N 3.44Å; H62-K65 PolarHBondContact O-N 2.94Å; H62-S66 PolarHBondContact O-N 3.19Å; H62-S66 VanDerWaalsContact O-N 3.09Å
63	Q	97.1	Very high	97.4	Very high	16 Å²	16	60.5 Å²	60.5	8%	0.075	31%	0.312	C	S	.	.	H	α-helix	trans	-57.8	-46.9	174.4	178.6	73	59.9	0	0	111.5	C23 Y52 E58 D59 L60 K65 S66 E67	C23-Q63 HydrophobicContact CB-CG 4.36Å; Y52-Q63 HydrophobicContact CE1-CB 4.24Å; Y52-Q63 WeakPolarHBondContact OH-CB 3.23Å; Y52-Q63 WeakPolarHBondContact OH-CG 3.32Å; Y52-Q63 PolarHBondContact OH-OE1 3.2Å; E58-Q63 PolarHBondContact OE2-OE1 3.44Å; D59-Q63 PolarHBondContact O-N 3.33Å; D59-Q63 VanDerWaalsContact O-N 3.12Å; L60-Q63 PolarHBondContact O-N 2.98Å; Q63-K65 VanDerWaalsContact C-N 3.27Å; Q63-K65 PolarHBondContact O-N 3.43Å; Q63-S66 PolarHBondContact O-N 2.73Å; Q63-S66 VanDerWaalsContact O-N 3.17Å; Q63-S66 PolarHBondContact O-OG 3.28Å; Q63-E67 PolarHBondContact NE2-OE1 3.05Å; Q63-E67 WeakPolarHBondContact O-CG 3.37Å; Q63-E67 PolarHBondContact O-N 3.4Å
64	L	97.9	Very high	97.3	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-63.7	-34.6	-179.1	-68	166.4	0	0	0	111.8	I33 L37 L60 I61 H62 E67 L68 I76 V80	I33-L64 HydrophobicContact CD1-CD2 4.23Å; I33-L64 HydrophobicContact CG2-CD2 4.07Å; L37-L64 HydrophobicContact CD1-CD1 3.91Å; L37-L64 HydrophobicContact CD1-CD2 4.26Å; L60-L64 HydrophobicContact CD1-CD1 3.96Å; L60-L64 HydrophobicContact CD1-CG 4.05Å; L60-L64 HydrophobicContact CG-CD1 3.86Å; L60-L64 HydrophobicContact CG-CG 4.41Å; L60-L64 VanDerWaalsContact O-CG 3.27Å; L60-L64 WeakPolarHBondContact O-CG 3.26Å; L60-L64 PolarHBondContact O-N 2.91Å; I61-L64 PolarHBondContact O-N 3.32Å; H62-L64 PolarHBondContact O-N 3.44Å; L64-E67 PolarHBondContact O-N 3.13Å; L64-L68 HydrophobicContact CB-CD1 4.43Å; L64-L68 HydrophobicContact CD2-CD1 4.17Å; L64-L68 VanDerWaalsContact O-CB 3.23Å; L64-L68 WeakPolarHBondContact O-CB 3.05Å; L64-L68 VanDerWaalsContact O-CG 3.29Å; L64-L68 WeakPolarHBondContact O-CG 3.45Å; L64-L68 PolarHBondContact O-N 3.44Å; L64-I76 HydrophobicContact CB-CG2 4.4Å; L64-I76 HydrophobicContact CD1-CG2 3.78Å; L64-I76 HydrophobicContact CD2-CG2 4.23Å; L64-I76 HydrophobicContact CG-CG2 4.36Å; L64-V80 HydrophobicContact CD1-CG2 3.95Å
65	K	96.8	Very high	97.3	Very high	102 Å²	102	54 Å²	54	44%	0.443	28%	0.278	S	S	.	.	H	α-helix	trans	-71.3	-26.6	175.5	-74.5	-176.6	172.8	-176	0	114.2	I61 H62 Q63 E73 C77	I61-K65 HydrophobicContact CG2-CD 4.19Å; I61-K65 HydrophobicContact CG2-CG 4.42Å; I61-K65 WeakPolarHBondContact O-CG 3.39Å; I61-K65 PolarHBondContact O-N 2.64Å; H62-K65 PolarHBondContact O-N 2.94Å; Q63-K65 VanDerWaalsContact C-N 3.27Å; Q63-K65 PolarHBondContact O-N 3.43Å; K65-E73 HydrophobicContact CG-CG 4.49Å; K65-C77 WeakPolarHBondContact CG-SG 3.48Å
66	S	96.4	Very high	97.3	Very high	73 Å²	73	50.9 Å²	50.9	51%	0.51	26%	0.262	S	S	.	.	H	α-helix	trans	-79.9	-23.2	176.8	63.6	0	0	0	0	112.9	H62 Q63	H62-S66 PolarHBondContact O-N 3.19Å; H62-S66 VanDerWaalsContact O-N 3.09Å; Q63-S66 PolarHBondContact O-N 2.73Å; Q63-S66 VanDerWaalsContact O-N 3.17Å; Q63-S66 PolarHBondContact O-OG 3.28Å
67	E	96.9	Very high	97.3	Very high	60 Å²	60	48.1 Å²	48.1	28%	0.28	25%	0.251	S	S	.	.	H	α-helix	trans	-100.1	-39.4	-175.3	-64.9	-63.3	141.5	0	0	113	C23 T28 Q63 L64	C23-E67 HydrophobicContact CB-CG 3.8Å; T28-E67 HydrophobicContact CG2-CB 4.03Å; T28-E67 PolarHBondContact OG1-O 2.88Å; T28-E67 PolarHBondContact OG1-OE2 3.14Å; Q63-E67 PolarHBondContact NE2-OE1 3.05Å; Q63-E67 WeakPolarHBondContact O-CG 3.37Å; Q63-E67 PolarHBondContact O-N 3.4Å; L64-E67 PolarHBondContact O-N 3.13Å
68	L	97.3	Very high	97.4	Very high	9 Å²	9	41.4 Å²	41.4	5%	0.047	22%	0.221	C	C	.	.			trans	-96.2	159.3	-174.9	-52.2	-176.9	0	0	0	110.9	T28 E30 I33 L64 F72 E73 I76	T28-L68 HydrophobicContact CG2-CD2 4.05Å; E30-L68 HydrophobicContact CG-CD2 4.03Å; I33-L68 HydrophobicContact CD1-CD2 4.15Å; L64-L68 HydrophobicContact CB-CD1 4.43Å; L64-L68 HydrophobicContact CD2-CD1 4.17Å; L64-L68 VanDerWaalsContact O-CB 3.23Å; L64-L68 WeakPolarHBondContact O-CB 3.05Å; L64-L68 VanDerWaalsContact O-CG 3.29Å; L64-L68 WeakPolarHBondContact O-CG 3.45Å; L64-L68 PolarHBondContact O-N 3.44Å; L68-F72 HydrophobicContact CB-CD1 4.49Å; L68-F72 HydrophobicContact CD1-CD1 4.23Å; L68-F72 HydrophobicContact CD1-CE1 3.82Å; L68-F72 HydrophobicContact CD1-CZ 4.16Å; L68-F72 HydrophobicContact CD2-CD1 4.06Å; L68-F72 HydrophobicContact CD2-CE1 3.58Å; L68-F72 HydrophobicContact CG-CD1 4.5Å; L68-F72 HydrophobicContact CG-CE1 4.22Å; L68-E73 HydrophobicContact CB-CB 3.73Å; L68-E73 HydrophobicContact CB-CG 4.04Å; L68-I76 HydrophobicContact CD1-CB 4.06Å; L68-I76 HydrophobicContact CD1-CG1 4.13Å; L68-I76 HydrophobicContact CD1-CG2 3.86Å
69	S	96.6	Very high	97.4	Very high	95 Å²	95	37.7 Å²	37.7	66%	0.664	20%	0.204	S	C	*	.			trans	-138.2	163.8	173.2	63.4	0	0	0	0	113.9	E73	S69-E73 VanDerWaalsContact C-CB 3.46Å; S69-E73 PolarHBondContact O-N 3.09Å
70	G	97.2	Very high	97.5	Very high	40 Å²	40	35.4 Å²	35.4	41%	0.412	19%	0.191	S	C	.	.	H	α-helix	trans	67.7	-142	167.1	0	0	0	0	0	114.4	F72 R74	G70-F72 VanDerWaalsContact C-N 3.27Å; G70-F72 PolarHBondContact O-N 3.44Å; G70-R74 WeakPolarHBondContact O-CG 3.37Å; G70-R74 PolarHBondContact O-N 2.83Å
71	N	97.1	Very high	97.5	Very high	40 Å²	40	36.3 Å²	36.3	21%	0.214	20%	0.196	C	C	.	.	H	α-helix	trans	-66.3	-32	-176.7	-66.1	-24.3	0	0	0	112.7	R74 A75 E260 N264 Y302	N71-R74 PolarHBondContact OD1-NH2 2.67Å; N71-A75 WeakPolarHBondContact O-CB 3.08Å; N71-A75 PolarHBondContact O-N 3.08Å; N71-A75 VanDerWaalsContact O-N 3.09Å; N71-E260 HydrophobicContact CB-CB 4.38Å; N71-E260 HydrophobicContact CB-CG 4.45Å; N71-E260 VanDerWaalsContact ND2-CD 3.32Å; N71-E260 VanDerWaalsContact ND2-CG 3.28Å; N71-E260 WeakPolarHBondContact ND2-CG 3.4Å; N71-E260 PolarHBondContact ND2-OE1 3.28Å; N71-N264 PolarHBondContact O-ND2 3.46Å; N71-Y302 HydrophobicContact CB-CD1 3.84Å; N71-Y302 HydrophobicContact CB-CD2 3.87Å; N71-Y302 HydrophobicContact CB-CE1 3.87Å; N71-Y302 HydrophobicContact CB-CE2 3.92Å; N71-Y302 HydrophobicContact CB-CG 3.83Å
72	F	98	Very high	97.5	Very high	15 Å²	15	37.3 Å²	37.3	7%	0.066	20%	0.201	C	C	.	.	H	α-helix	trans	-68.4	-50.9	179.1	178.3	-134.3	0	0	0	111.5	E30 I34 L68 G70 R74 A75 I76 D301 F305	E30-F72 HydrophobicContact CB-CE1 3.71Å; E30-F72 HydrophobicContact CB-CZ 4.16Å; E30-F72 HydrophobicContact CG-CD1 4.21Å; E30-F72 HydrophobicContact CG-CE1 3.54Å; E30-F72 HydrophobicContact CG-CZ 4.45Å; I34-F72 HydrophobicContact CD1-CE2 3.85Å; I34-F72 HydrophobicContact CD1-CZ 3.81Å; I34-F72 HydrophobicContact CG1-CE2 3.76Å; I34-F72 HydrophobicContact CG1-CZ 3.68Å; L68-F72 HydrophobicContact CB-CD1 4.49Å; L68-F72 HydrophobicContact CD1-CD1 4.23Å; L68-F72 HydrophobicContact CD1-CE1 3.82Å; L68-F72 HydrophobicContact CD1-CZ 4.16Å; L68-F72 HydrophobicContact CD2-CD1 4.06Å; L68-F72 HydrophobicContact CD2-CE1 3.58Å; L68-F72 HydrophobicContact CG-CD1 4.5Å; L68-F72 HydrophobicContact CG-CE1 4.22Å; G70-F72 VanDerWaalsContact C-N 3.27Å; G70-F72 PolarHBondContact O-N 3.44Å; F72-R74 PolarHBondContact O-N 3.08Å; F72-A75 PolarHBondContact O-N 2.88Å; F72-I76 HydrophobicContact CD2-CG1 3.8Å; F72-I76 HydrophobicContact CE2-CD1 3.78Å; F72-I76 HydrophobicContact CE2-CG1 3.29Å; F72-I76 HydrophobicContact CZ-CD1 4.19Å; F72-I76 HydrophobicContact CZ-CG1 3.8Å; F72-I76 PolarHBondContact O-N 3.23Å; F72-D301 HydrophobicContact CD1-CB 3.8Å; F72-D301 HydrophobicContact CD2-CB 4.35Å; F72-D301 HydrophobicContact CE1-CB 3.86Å; F72-D301 HydrophobicContact CE2-CB 4.41Å; F72-D301 HydrophobicContact CG-CB 4.07Å; F72-D301 HydrophobicContact CZ-CB 4.18Å; F72-F305 HydrophobicContact CD2-CB 3.96Å; F72-F305 HydrophobicContact CD2-CD1 4.48Å; F72-F305 HydrophobicContact CD2-CG 4.35Å; F72-F305 HydrophobicContact CE2-CB 3.68Å; F72-F305 HydrophobicContact CE2-CD1 4.45Å; F72-F305 AromaticContact CE2-CG 3.97Å; F72-F305 HydrophobicContact CE2-CG 3.97Å
73	E	98	Very high	97.6	Very high	47 Å²	47	32.6 Å²	32.6	22%	0.22	18%	0.182	C	C	.	.	H	α-helix	trans	-52	-52.9	173.4	-177.4	-142.8	146.8	0	0	111.3	K65 L68 S69 A75 I76 C77	K65-E73 HydrophobicContact CG-CG 4.49Å; L68-E73 HydrophobicContact CB-CB 3.73Å; L68-E73 HydrophobicContact CB-CG 4.04Å; S69-E73 VanDerWaalsContact C-CB 3.46Å; S69-E73 PolarHBondContact O-N 3.09Å; E73-A75 VanDerWaalsContact C-N 3.31Å; E73-A75 PolarHBondContact O-N 2.88Å; E73-I76 PolarHBondContact O-N 2.89Å; E73-C77 WeakPolarHBondContact O-CB 3.21Å; E73-C77 PolarHBondContact O-N 3.2Å; E73-C77 PolarHBondContact O-SG 3.46Å
74	R	97.7	Very high	97.6	Very high	93 Å²	93	33.6 Å²	33.6	35%	0.351	19%	0.19	S	C	.	.	H	α-helix	trans	-56.9	-43.4	-179.8	-71.5	-170.7	-72.1	-179.3	-11.8	112.3	G70 N71 F72 L78 D261	G70-R74 WeakPolarHBondContact O-CG 3.37Å; G70-R74 PolarHBondContact O-N 2.83Å; N71-R74 PolarHBondContact OD1-NH2 2.67Å; F72-R74 PolarHBondContact O-N 3.08Å; R74-L78 WeakPolarHBondContact O-CB 3.27Å; R74-L78 VanDerWaalsContact O-CG 3.24Å; R74-L78 WeakPolarHBondContact O-CG 3.4Å; R74-L78 PolarHBondContact O-N 3.28Å; R74-D261 IonicContact CZ-OD1 2.71Å; R74-D261 IonicContact NE-OD1 3.29Å; R74-D261 VanDerWaalsContact NH1-CG 3.31Å; R74-D261 IonicContact NH1-OD1 3.41Å; R74-D261 PolarHBondContact NH1-OD1 3.18Å; R74-D261 IonicContact NH1-OD2 2.67Å; R74-D261 PolarHBondContact NH1-OD2 3.37Å
75	A	98.3	Very high	97.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-66.7	-45.8	179.9	0	0	0	0	0	112.1	N71 F72 E73 L78 W79 Y302 F305	N71-A75 WeakPolarHBondContact O-CB 3.08Å; N71-A75 PolarHBondContact O-N 3.08Å; N71-A75 VanDerWaalsContact O-N 3.09Å; F72-A75 PolarHBondContact O-N 2.88Å; E73-A75 VanDerWaalsContact C-N 3.31Å; E73-A75 PolarHBondContact O-N 2.88Å; A75-L78 PolarHBondContact O-N 3.39Å; A75-W79 WeakPolarHBondContact O-CB 3.43Å; A75-W79 PolarHBondContact O-N 2.75Å; A75-Y302 HydrophobicContact CB-CD2 4.41Å; A75-Y302 HydrophobicContact CB-CE2 4.09Å; A75-F305 HydrophobicContact CB-CD1 3.76Å; A75-F305 HydrophobicContact CB-CE1 3.72Å
76	I	98.1	Very high	97.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.8	-46.8	178.6	-75.2	-77.5	0	0	0	110.9	I33 L37 L64 L68 F72 E73 L78 W79 V80 F305	I33-I76 HydrophobicContact CG2-CD1 4.38Å; L37-I76 HydrophobicContact CB-CD1 4.45Å; L37-I76 HydrophobicContact CD1-CD1 4.46Å; L37-I76 HydrophobicContact CD1-CG2 4.15Å; L64-I76 HydrophobicContact CB-CG2 4.4Å; L64-I76 HydrophobicContact CD1-CG2 3.78Å; L64-I76 HydrophobicContact CD2-CG2 4.23Å; L64-I76 HydrophobicContact CG-CG2 4.36Å; L68-I76 HydrophobicContact CD1-CB 4.06Å; L68-I76 HydrophobicContact CD1-CG1 4.13Å; L68-I76 HydrophobicContact CD1-CG2 3.86Å; F72-I76 HydrophobicContact CD2-CG1 3.8Å; F72-I76 HydrophobicContact CE2-CD1 3.78Å; F72-I76 HydrophobicContact CE2-CG1 3.29Å; F72-I76 HydrophobicContact CZ-CD1 4.19Å; F72-I76 HydrophobicContact CZ-CG1 3.8Å; F72-I76 PolarHBondContact O-N 3.23Å; E73-I76 PolarHBondContact O-N 2.89Å; I76-L78 PolarHBondContact O-N 3.31Å; I76-W79 WeakPolarHBondContact O-CB 3.19Å; I76-W79 PolarHBondContact O-N 2.71Å; I76-V80 HydrophobicContact CG2-CG2 4.4Å; I76-V80 WeakPolarHBondContact O-CG2 3.32Å; I76-V80 PolarHBondContact O-N 2.98Å; I76-F305 HydrophobicContact CD1-CD1 4.09Å; I76-F305 HydrophobicContact CD1-CD2 3.47Å; I76-F305 VanDerWaalsContact CD1-CD2 3.47Å; I76-F305 HydrophobicContact CD1-CE1 3.91Å; I76-F305 HydrophobicContact CD1-CE2 3.27Å; I76-F305 HydrophobicContact CD1-CG 3.88Å; I76-F305 HydrophobicContact CD1-CZ 3.51Å; I76-F305 HydrophobicContact CG1-CD1 4.12Å; I76-F305 HydrophobicContact CG1-CD2 4.33Å; I76-F305 HydrophobicContact CG1-CE1 4.05Å; I76-F305 HydrophobicContact CG1-CE2 4.28Å; I76-F305 HydrophobicContact CG1-CG 4.25Å; I76-F305 HydrophobicContact CG1-CZ 4.14Å
77	C	97.7	Very high	97.8	Very high	4 Å²	4	28.4 Å²	28.4	3%	0.027	16%	0.159	C	C	.	.	H	α-helix	trans	-61	-45.5	178.3	-68.5	0	0	0	0	111.4	K65 E73 W79 V80 L81	K65-C77 WeakPolarHBondContact CG-SG 3.48Å; E73-C77 WeakPolarHBondContact O-CB 3.21Å; E73-C77 PolarHBondContact O-N 3.2Å; E73-C77 PolarHBondContact O-SG 3.46Å; C77-W79 PolarHBondContact O-N 3.26Å; C77-V80 PolarHBondContact O-N 3.31Å; C77-L81 VanDerWaalsContact O-CG 3.24Å; C77-L81 WeakPolarHBondContact O-CG 3.37Å; C77-L81 PolarHBondContact O-N 3.23Å; C77-L81 VanDerWaalsContact O-N 3.15Å
78	L	98.3	Very high	97.9	Very high	12 Å²	12	25.6 Å²	25.6	6%	0.063	15%	0.147	C	C	.	.	H	α-helix	trans	-61	-32.3	174.4	-73.1	171.1	0	0	0	111.9	R74 A75 I76 R86 L89 L90 N264 V268	R74-L78 WeakPolarHBondContact O-CB 3.27Å; R74-L78 VanDerWaalsContact O-CG 3.24Å; R74-L78 WeakPolarHBondContact O-CG 3.4Å; R74-L78 PolarHBondContact O-N 3.28Å; A75-L78 PolarHBondContact O-N 3.39Å; I76-L78 PolarHBondContact O-N 3.31Å; L78-R86 HydrophobicContact CD2-CG 4.04Å; L78-R86 WeakPolarHBondContact O-CD 3.41Å; L78-L89 HydrophobicContact CD2-CD2 3.9Å; L78-L89 HydrophobicContact CD2-CG 4.47Å; L78-L90 HydrophobicContact CD1-CD2 4.2Å; L78-L90 HydrophobicContact CD2-CD2 3.88Å; L78-L90 HydrophobicContact CD2-CG 3.98Å; L78-N264 HydrophobicContact CD1-CB 4.33Å; L78-V268 HydrophobicContact CB-CG1 3.84Å; L78-V268 WeakPolarHBondContact O-CG1 3.34Å
79	W	98.3	Very high	97.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-74.3	-41.5	-179.7	-179.4	-122.9	0	0	0	113.3	I4 L37 R40 R45 A75 I76 C77 V268 A271 E272 F305 L309	I4-W79 HydrophobicContact CB-CH2 4.39Å; I4-W79 HydrophobicContact CD1-CH2 4.3Å; I4-W79 HydrophobicContact CD1-CZ2 3.76Å; I4-W79 HydrophobicContact CG1-CH2 4.22Å; I4-W79 HydrophobicContact CG1-CZ2 3.94Å; L37-W79 PolarHBondContact O-NE1 2.88Å; R40-W79 WeakPolarHBondContact O-CZ2 3.43Å; R45-W79 VanDerWaalsContact CD-NE1 3.32Å; R45-W79 VanDerWaalsContact CZ-CE2 3.46Å; R45-W79 PolarHBondContact NE-O 3.1Å; R45-W79 VanDerWaalsContact NH1-CE2 3.28Å; R45-W79 PolarHBondContact NH2-O 3.13Å; A75-W79 WeakPolarHBondContact O-CB 3.43Å; A75-W79 PolarHBondContact O-N 2.75Å; I76-W79 WeakPolarHBondContact O-CB 3.19Å; I76-W79 PolarHBondContact O-N 2.71Å; C77-W79 PolarHBondContact O-N 3.26Å; W79-V268 HydrophobicContact CB-CG1 3.97Å; W79-V268 HydrophobicContact CE3-CG1 3.93Å; W79-V268 WeakPolarHBondContact CZ3-O 3.29Å; W79-A271 HydrophobicContact CH2-CB 3.91Å; W79-A271 HydrophobicContact CZ3-CB 3.87Å; W79-E272 HydrophobicContact CH2-CG 3.37Å; W79-E272 HydrophobicContact CZ2-CG 4.48Å; W79-E272 HydrophobicContact CZ3-CG 3.71Å; W79-F305 HydrophobicContact CB-CE1 4.37Å; W79-F305 HydrophobicContact CB-CZ 3.74Å; W79-F305 AromaticContact CD1-CE2 4Å; W79-F305 AromaticContact CD1-CZ 3.67Å; W79-F305 AromaticContact CG-CZ 3.78Å; W79-F305 HydrophobicContact CG-CZ 3.78Å; W79-L309 HydrophobicContact CD2-CD1 4.42Å; W79-L309 HydrophobicContact CD2-CD2 3.82Å; W79-L309 VanDerWaalsContact CE2-CD2 3.41Å; W79-L309 HydrophobicContact CE3-CD1 4.47Å; W79-L309 HydrophobicContact CE3-CD2 4.27Å; W79-L309 HydrophobicContact CG-CD2 4.34Å; W79-L309 HydrophobicContact CH2-CD2 3.94Å; W79-L309 HydrophobicContact CZ2-CD2 3.49Å; W79-L309 VanDerWaalsContact CZ2-CD2 3.49Å; W79-L309 HydrophobicContact CZ3-CD2 4.32Å
80	V	98.2	Very high	98	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.006	12%	0.123	C	C	.	.	H	α-helix	trans	-74.4	-28.9	-177.7	174.8	0	0	0	0	112.5	L37 L60 I61 L64 I76 C77	L37-V80 HydrophobicContact CD1-CG2 3.71Å; L37-V80 HydrophobicContact CD2-CG2 4.07Å; L37-V80 HydrophobicContact CG-CG2 4.42Å; L60-V80 HydrophobicContact CD2-CG1 3.96Å; L60-V80 HydrophobicContact CG-CG1 4.35Å; I61-V80 HydrophobicContact CD1-CB 3.45Å; I61-V80 VanDerWaalsContact CD1-CB 3.45Å; I61-V80 HydrophobicContact CD1-CG1 3.41Å; I61-V80 VanDerWaalsContact CD1-CG1 3.41Å; I61-V80 HydrophobicContact CG1-CG1 4.14Å; L64-V80 HydrophobicContact CD1-CG2 3.95Å; I76-V80 HydrophobicContact CG2-CG2 4.4Å; I76-V80 WeakPolarHBondContact O-CG2 3.32Å; I76-V80 PolarHBondContact O-N 2.98Å; C77-V80 PolarHBondContact O-N 3.31Å
81	L	98	Very high	98.1	Very high	19 Å²	19	20.8 Å²	20.8	10%	0.099	10%	0.104	C	C	.	.	S	Bend	trans	-60	141	175.7	-74.5	168.2	0	0	0	112.1	I61 C77 E85 R86 L89	I61-L81 HydrophobicContact CD1-CD2 4.24Å; I61-L81 HydrophobicContact CD1-CG 4.06Å; I61-L81 HydrophobicContact CG1-CD2 4.1Å; I61-L81 HydrophobicContact CG1-CG 4.47Å; C77-L81 VanDerWaalsContact O-CG 3.24Å; C77-L81 WeakPolarHBondContact O-CG 3.37Å; C77-L81 PolarHBondContact O-N 3.23Å; C77-L81 VanDerWaalsContact O-N 3.15Å; L81-E85 HydrophobicContact CB-CB 4.38Å; L81-E85 HydrophobicContact CD2-CB 3.96Å; L81-R86 HydrophobicContact CB-CB 4.03Å; L81-L89 HydrophobicContact CD1-CB 4.41Å; L81-L89 HydrophobicContact CD1-CD2 3.51Å
82	D	97.1	Very high	98.2	Very high	30 Å²	30	19.5 Å²	19.5	16%	0.16	10%	0.097	C	C	.	.			trans	-62.4	147.2	170	-89.4	-2.8	0	0	0	109.2	K46 P84 E85 R86	K46-D82 IonicContact NZ-OD2 2.73Å; K46-D82 PolarHBondContact NZ-OD2 3.07Å; D82-P84 VanDerWaalsContact C-CD 3.47Å; D82-P84 VanDerWaalsContact C-N 3.34Å; D82-P84 VanDerWaalsContact O-N 3.14Å; D82-E85 HydrophobicContact CB-CG 4.48Å; D82-E85 PolarHBondContact N-OE2 3.08Å; D82-E85 PolarHBondContact O-N 3.12Å; D82-R86 PolarHBondContact O-N 3.39Å
83	P	98	Very high	98.1	Very high	29 Å²	29	22.4 Å²	22.4	19%	0.188	11%	0.113	C	C	.	.	H	α-helix	trans	-51.9	-40.6	-173.1	-26.2	30.8	0	0	0	115.4	L42 R86 D87	L42-P83 HydrophobicContact CD1-CG 4.03Å; L42-P83 HydrophobicContact CD2-CG 3.81Å; P83-R86 PolarHBondContact O-N 3.41Å; P83-D87 PolarHBondContact O-N 3.4Å
84	P	98.4	Very high	98.1	Very high	37 Å²	37	20.3 Å²	20.3	24%	0.24	10%	0.104	C	C	.	.	H	α-helix	trans	-63.3	-42.8	175	-26	38	0	0	0	114	D82 R86 D87 A88 A119 A123	D82-P84 VanDerWaalsContact C-CD 3.47Å; D82-P84 VanDerWaalsContact C-N 3.34Å; D82-P84 VanDerWaalsContact O-N 3.14Å; P84-R86 VanDerWaalsContact C-N 3.32Å; P84-D87 PolarHBondContact O-N 2.91Å; P84-A88 WeakPolarHBondContact O-CB 3.44Å; P84-A88 PolarHBondContact O-N 2.67Å; P84-A119 HydrophobicContact CB-CB 4.01Å; P84-A119 HydrophobicContact CG-CB 3.74Å; P84-A123 HydrophobicContact CB-CB 3.88Å; P84-A123 WeakPolarHBondContact O-CB 3.44Å
85	E	98.3	Very high	98.1	Very high	46 Å²	46	16.1 Å²	16.1	22%	0.215	9%	0.088	C	C	.	.	H	α-helix	trans	-66.9	-38.8	177.7	-59.5	177.5	135	0	0	110.8	R49 L81 D82 A88 L89 A123 L127	R49-E85 IonicContact CZ-OE2 3.68Å; R49-E85 IonicContact NH1-OE1 2.81Å; R49-E85 IonicContact NH1-OE2 3.04Å; R49-E85 PolarHBondContact NH1-OE2 2.93Å; R49-E85 IonicContact NH2-OE1 3.76Å; R49-E85 IonicContact NH2-OE2 3.26Å; L81-E85 HydrophobicContact CB-CB 4.38Å; L81-E85 HydrophobicContact CD2-CB 3.96Å; D82-E85 HydrophobicContact CB-CG 4.48Å; D82-E85 PolarHBondContact N-OE2 3.08Å; D82-E85 PolarHBondContact O-N 3.12Å; E85-A88 PolarHBondContact O-N 3.24Å; E85-L89 WeakPolarHBondContact O-CB 3.2Å; E85-L89 PolarHBondContact O-N 3.29Å; E85-A123 HydrophobicContact CG-CB 4.42Å; E85-L127 HydrophobicContact CB-CD1 4.35Å
86	R	98.3	Very high	98	Very high	7 Å²	7	21.9 Å²	21.9	3%	0.026	12%	0.115	C	C	.	.	H	α-helix	trans	-62.3	-48.3	175.5	179.9	171.5	69.3	-168.8	-3.8	112.2	L78 L81 D82 P83 P84 A88 L89 L90 V268	L78-R86 HydrophobicContact CD2-CG 4.04Å; L78-R86 WeakPolarHBondContact O-CD 3.41Å; L81-R86 HydrophobicContact CB-CB 4.03Å; D82-R86 PolarHBondContact O-N 3.39Å; P83-R86 PolarHBondContact O-N 3.41Å; P84-R86 VanDerWaalsContact C-N 3.32Å; R86-A88 VanDerWaalsContact C-N 3.31Å; R86-A88 PolarHBondContact O-N 2.9Å; R86-L89 PolarHBondContact O-N 2.87Å; R86-L90 HydrophobicContact CG-CD1 4.1Å; R86-L90 WeakPolarHBondContact O-CB 3.49Å; R86-L90 VanDerWaalsContact O-CG 3.3Å; R86-L90 WeakPolarHBondContact O-CG 3.4Å; R86-L90 PolarHBondContact O-N 2.97Å; R86-V268 PolarHBondContact NH1-O 3.37Å; R86-V268 VanDerWaalsContact NH1-O 3.16Å
87	D	98.6	Very high	97.9	Very high	12 Å²	12	25.3 Å²	25.3	6%	0.064	13%	0.13	C	C	.	.	H	α-helix	trans	-64.9	-37.9	177.4	-82.9	-14.8	0	0	0	111.1	P83 P84 L90 A91 I108 R112 A120	P83-D87 PolarHBondContact O-N 3.4Å; P84-D87 PolarHBondContact O-N 2.91Å; D87-L90 PolarHBondContact O-N 2.94Å; D87-A91 WeakPolarHBondContact O-CB 3.28Å; D87-A91 PolarHBondContact O-N 3.38Å; D87-I108 HydrophobicContact CB-CG2 4.35Å; D87-R112 IonicContact OD1-CZ 2.88Å; D87-R112 IonicContact OD1-NE 2.99Å; D87-R112 PolarHBondContact OD1-NE 3.09Å; D87-R112 IonicContact OD1-NH2 3.61Å; D87-R112 PolarHBondContact OD1-NH2 3.14Å; D87-R112 WeakPolarHBondContact OD2-CG 3.45Å; D87-R112 IonicContact OD2-CZ 3.5Å; D87-R112 IonicContact OD2-NE 2.81Å; D87-R112 PolarHBondContact OD2-NE 2.63Å; D87-R112 IonicContact OD2-NH2 3.75Å; D87-A120 HydrophobicContact CB-CB 3.85Å
88	A	98.7	Very high	97.8	Very high	2 Å²	2	31.4 Å²	31.4	2%	0.017	17%	0.17	C	C	.	.	H	α-helix	trans	-61.1	-46.1	173.1	0	0	0	0	0	112.6	P84 E85 R86 A91 N92 A123 Y124 L127	P84-A88 WeakPolarHBondContact O-CB 3.44Å; P84-A88 PolarHBondContact O-N 2.67Å; E85-A88 PolarHBondContact O-N 3.24Å; R86-A88 VanDerWaalsContact C-N 3.31Å; R86-A88 PolarHBondContact O-N 2.9Å; A88-A91 PolarHBondContact O-N 3.35Å; A88-N92 WeakPolarHBondContact O-CB 3.48Å; A88-N92 PolarHBondContact O-N 3.33Å; A88-A123 HydrophobicContact CB-CB 4.11Å; A88-Y124 HydrophobicContact CB-CD2 4.04Å; A88-Y124 HydrophobicContact CB-CG 4.39Å; A88-Y124 WeakPolarHBondContact O-CD2 3.44Å; A88-L127 HydrophobicContact CB-CD1 4.07Å
89	L	98.3	Very high	97.6	Very high	29 Å²	29	36.2 Å²	36.2	15%	0.152	19%	0.194	C	C	.	.	H	α-helix	trans	-62	-46.8	176.5	176.6	62	0	0	0	111.7	L78 L81 E85 R86 A91 N92 L93 Y128	L78-L89 HydrophobicContact CD2-CD2 3.9Å; L78-L89 HydrophobicContact CD2-CG 4.47Å; L81-L89 HydrophobicContact CD1-CB 4.41Å; L81-L89 HydrophobicContact CD1-CD2 3.51Å; E85-L89 WeakPolarHBondContact O-CB 3.2Å; E85-L89 PolarHBondContact O-N 3.29Å; R86-L89 PolarHBondContact O-N 2.87Å; L89-A91 VanDerWaalsContact C-N 3.32Å; L89-A91 PolarHBondContact O-N 3.17Å; L89-N92 PolarHBondContact O-N 3.09Å; L89-L93 HydrophobicContact CD1-CD1 4.04Å; L89-L93 HydrophobicContact CD1-CG 4.02Å; L89-L93 HydrophobicContact CG-CD1 3.98Å; L89-L93 HydrophobicContact CG-CG 4.38Å; L89-L93 WeakPolarHBondContact O-CB 3.36Å; L89-L93 WeakPolarHBondContact O-CG 3.06Å; L89-L93 PolarHBondContact O-N 3.43Å; L89-Y128 WeakPolarHBondContact CA-OH 3.4Å; L89-Y128 WeakPolarHBondContact CD1-OH 3.47Å
90	L	98.5	Very high	97.5	Very high	13 Å²	13	36.7 Å²	36.7	7%	0.068	20%	0.197	C	C	.	.	H	α-helix	trans	-61.5	-40.6	178.2	-73	170	0	0	0	112	L78 R86 D87 A94 V104 I108 R265 T269	L78-L90 HydrophobicContact CD1-CD2 4.2Å; L78-L90 HydrophobicContact CD2-CD2 3.88Å; L78-L90 HydrophobicContact CD2-CG 3.98Å; R86-L90 HydrophobicContact CG-CD1 4.1Å; R86-L90 WeakPolarHBondContact O-CB 3.49Å; R86-L90 VanDerWaalsContact O-CG 3.3Å; R86-L90 WeakPolarHBondContact O-CG 3.4Å; R86-L90 PolarHBondContact O-N 2.97Å; D87-L90 PolarHBondContact O-N 2.94Å; L90-A94 VanDerWaalsContact O-CB 3.25Å; L90-A94 WeakPolarHBondContact O-CB 3.34Å; L90-A94 PolarHBondContact O-N 3.41Å; L90-V104 HydrophobicContact CB-CG1 4.28Å; L90-I108 HydrophobicContact CB-CD1 3.93Å; L90-R265 HydrophobicContact CD1-CG 3.96Å; L90-R265 HydrophobicContact CD2-CB 4.36Å; L90-R265 HydrophobicContact CD2-CG 4.11Å; L90-T269 HydrophobicContact CD1-CG2 4.05Å
91	A	98.6	Very high	97.5	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.008	21%	0.205	C	C	.	.	H	α-helix	trans	-64.2	-43.8	175.3	0	0	0	0	0	111.7	D87 A88 L89 A94 L95 L105 I108 Y124 L132	D87-A91 WeakPolarHBondContact O-CB 3.28Å; D87-A91 PolarHBondContact O-N 3.38Å; A88-A91 PolarHBondContact O-N 3.35Å; L89-A91 VanDerWaalsContact C-N 3.32Å; L89-A91 PolarHBondContact O-N 3.17Å; A91-A94 WeakPolarHBondContact O-CB 3.24Å; A91-A94 PolarHBondContact O-N 2.95Å; A91-L95 WeakPolarHBondContact O-CG 3.46Å; A91-L95 PolarHBondContact O-N 3.2Å; A91-L105 HydrophobicContact CB-CD2 4.12Å; A91-I108 HydrophobicContact CB-CD1 3.9Å; A91-Y124 HydrophobicContact CB-CD2 4.35Å; A91-Y124 HydrophobicContact CB-CE2 4.21Å; A91-L132 HydrophobicContact CB-CD1 3.75Å; A91-L132 HydrophobicContact CB-CD2 4.35Å
92	N	98.3	Very high	97.4	Very high	13 Å²	13	38.7 Å²	38.7	7%	0.07	21%	0.206	C	C	.	.	H	α-helix	trans	-64.3	-46.9	178.8	-174.7	-104.2	0	0	0	111.9	A88 L89 A94 L95 Q96 Y124 Y128	A88-N92 WeakPolarHBondContact O-CB 3.48Å; A88-N92 PolarHBondContact O-N 3.33Å; L89-N92 PolarHBondContact O-N 3.09Å; N92-A94 VanDerWaalsContact C-N 3.31Å; N92-A94 PolarHBondContact O-N 3.25Å; N92-L95 PolarHBondContact O-N 2.86Å; N92-L95 VanDerWaalsContact O-N 3.13Å; N92-Q96 WeakPolarHBondContact O-CG 3.49Å; N92-Q96 PolarHBondContact O-N 3.29Å; N92-Q96 PolarHBondContact OD1-NE2 3.34Å; N92-Y124 HydrophobicContact CB-CE2 3.75Å; N92-Y124 PolarHBondContact ND2-OH 2.81Å; N92-Y124 VanDerWaalsContact ND2-OH 3.09Å; N92-Y128 HydrophobicContact CB-CD2 4.17Å; N92-Y128 HydrophobicContact CB-CE1 4.01Å; N92-Y128 HydrophobicContact CB-CE2 3.49Å; N92-Y128 VanDerWaalsContact CB-CE2 3.49Å; N92-Y128 WeakPolarHBondContact CB-OH 3.46Å; N92-Y128 VanDerWaalsContact OD1-CE1 3.29Å; N92-Y128 WeakPolarHBondContact OD1-CE1 3.45Å
93	L	97.5	Very high	97.4	Very high	76 Å²	76	42.7 Å²	42.7	40%	0.398	22%	0.222	S	C	.	.	H	α-helix	trans	-60.3	-40.8	175.1	-70.2	174.3	0	0	0	111.8	L89 L95 Q96	L89-L93 HydrophobicContact CD1-CD1 4.04Å; L89-L93 HydrophobicContact CD1-CG 4.02Å; L89-L93 HydrophobicContact CG-CD1 3.98Å; L89-L93 HydrophobicContact CG-CG 4.38Å; L89-L93 WeakPolarHBondContact O-CB 3.36Å; L89-L93 WeakPolarHBondContact O-CG 3.06Å; L89-L93 PolarHBondContact O-N 3.43Å; L93-L95 VanDerWaalsContact C-N 3.31Å; L93-L95 PolarHBondContact O-N 3.41Å; L93-Q96 PolarHBondContact O-N 3.29Å
94	A	98	Very high	97.4	Very high	3 Å²	3	41.7 Å²	41.7	3%	0.025	22%	0.215	C	C	.	.	H	α-helix	trans	-61.6	-40.1	175.4	0	0	0	0	0	111.9	L90 A91 N92 P100 D101 V104 L105	L90-A94 VanDerWaalsContact O-CB 3.25Å; L90-A94 WeakPolarHBondContact O-CB 3.34Å; L90-A94 PolarHBondContact O-N 3.41Å; A91-A94 WeakPolarHBondContact O-CB 3.24Å; A91-A94 PolarHBondContact O-N 2.95Å; N92-A94 VanDerWaalsContact C-N 3.31Å; N92-A94 PolarHBondContact O-N 3.25Å; A94-P100 CarbonylContact O-C 3.56Å; A94-P100 VanDerWaalsContact O-CA 3.27Å; A94-P100 WeakPolarHBondContact O-CA 3.36Å; A94-D101 HydrophobicContact CB-CB 3.89Å; A94-D101 PolarHBondContact O-N 3.46Å; A94-V104 HydrophobicContact CB-CB 3.86Å; A94-V104 HydrophobicContact CB-CG1 3.91Å; A94-L105 HydrophobicContact CB-CD2 4.12Å; A94-L105 HydrophobicContact CB-CG 4Å
95	L	97.8	Very high	97.4	Very high	4 Å²	4	40 Å²	40	2%	0.021	20%	0.204	C	C	.	.	H	α-helix	trans	-72.7	-35	177.7	-72.1	164.9	0	0	0	112.5	A91 N92 L93 K97 L105 L132 D135 L136 R139	A91-L95 WeakPolarHBondContact O-CG 3.46Å; A91-L95 PolarHBondContact O-N 3.2Å; N92-L95 PolarHBondContact O-N 2.86Å; N92-L95 VanDerWaalsContact O-N 3.13Å; L93-L95 VanDerWaalsContact C-N 3.31Å; L93-L95 PolarHBondContact O-N 3.41Å; L95-K97 PolarHBondContact O-N 3.25Å; L95-L105 HydrophobicContact CD1-CD2 4.48Å; L95-L105 HydrophobicContact CD2-CD1 3.93Å; L95-L105 HydrophobicContact CD2-CD2 4.48Å; L95-L105 HydrophobicContact CG-CD1 4.33Å; L95-L105 HydrophobicContact CG-CD2 4.13Å; L95-L132 HydrophobicContact CD1-CD1 3.87Å; L95-D135 HydrophobicContact CD1-CB 3.94Å; L95-L136 HydrophobicContact CD1-CG 4.41Å; L95-L136 HydrophobicContact CD2-CD2 3.89Å; L95-L136 HydrophobicContact CD2-CG 4.28Å; L95-R139 HydrophobicContact CD2-CB 4.05Å; L95-R139 HydrophobicContact CD2-CG 4.5Å; L95-R139 PolarHBondContact O-NH1 3.25Å; L95-R139 PolarHBondContact O-NH2 3.04Å
96	Q	96.2	Very high	97.4	Very high	121 Å²	121	37.8 Å²	37.8	57%	0.565	19%	0.194	S	C	*	.	H	α-helix	trans	-69.3	-16.6	-176.4	-77.2	-176.8	1.4	0	0	114.8	N92 L93	N92-Q96 WeakPolarHBondContact O-CG 3.49Å; N92-Q96 PolarHBondContact O-N 3.29Å; N92-Q96 PolarHBondContact OD1-NE2 3.34Å; L93-Q96 PolarHBondContact O-N 3.29Å
97	K	96.1	Very high	97.4	Very high	72 Å²	72	37.5 Å²	37.5	31%	0.313	19%	0.193	S	C	.	.	S	Bend	trans	-59.9	152.6	174.7	-63.7	-169.3	-172.2	179.4	0	111.4	L95 I99 D101 R139	L95-K97 PolarHBondContact O-N 3.25Å; K97-I99 VanDerWaalsContact C-N 3.26Å; K97-I99 WeakPolarHBondContact CB-O 3.24Å; K97-I99 PolarHBondContact O-N 2.98Å; K97-D101 HydrophobicContact CD-CB 4.11Å; K97-D101 IonicContact NZ-OD2 3.25Å; K97-D101 PolarHBondContact NZ-OD2 3.37Å; K97-R139 PolarHBondContact O-NH2 3.14Å
98	P	94.9	Very high	97.3	Very high	133 Å²	133	37.1 Å²	37.1	86%	0.864	19%	0.191	S	C	*	.	S	Bend	trans	-54.1	-43.9	176.7	-27.5	34.9	0	0	0	112.7
99	I	93.8	Very high	97.3	Very high	112 Å²	112	37.4 Å²	37.4	57%	0.574	19%	0.193	S	C	*	.	S	Bend	trans	-109.4	121.9	164.2	-59.4	172.3	0	0	0	106.4	K97 Y102	K97-I99 VanDerWaalsContact C-N 3.26Å; K97-I99 WeakPolarHBondContact CB-O 3.24Å; K97-I99 PolarHBondContact O-N 2.98Å; I99-Y102 HydrophobicContact CG2-CE2 4.39Å
100	P	96.9	Very high	97.1	Very high	10 Å²	10	36.5 Å²	36.5	7%	0.065	19%	0.189	C	C	.	.			trans	-56.7	143.3	-178.8	-26.6	34.6	0	0	0	113.4	A94 Y102 L105 R139	A94-P100 CarbonylContact O-C 3.56Å; A94-P100 VanDerWaalsContact O-CA 3.27Å; A94-P100 WeakPolarHBondContact O-CA 3.36Å; P100-Y102 VanDerWaalsContact C-N 3.34Å; P100-Y102 HydrophobicContact CB-CD1 4.11Å; P100-Y102 HydrophobicContact CB-CE1 3.7Å; P100-Y102 HydrophobicContact CG-CE1 4.17Å; P100-Y102 PolarHBondContact O-N 3.12Å; P100-L105 HydrophobicContact CB-CD1 4.42Å; P100-R139 HydrophobicContact CG-CB 4.44Å
101	D	96.4	Very high	97	Very high	33 Å²	33	37.1 Å²	37.1	18%	0.176	19%	0.192	C	C	.	.			trans	-80.3	81.6	176.4	-160.2	-32.2	0	0	0	111.2	A94 K97 K103 V104 L105	A94-D101 HydrophobicContact CB-CB 3.89Å; A94-D101 PolarHBondContact O-N 3.46Å; K97-D101 HydrophobicContact CD-CB 4.11Å; K97-D101 IonicContact NZ-OD2 3.25Å; K97-D101 PolarHBondContact NZ-OD2 3.37Å; D101-K103 PolarHBondContact O-N 3.4Å; D101-K103 VanDerWaalsContact O-N 3.13Å; D101-K103 PolarHBondContact OD1-N 3.35Å; D101-V104 HydrophobicContact CB-CB 4.35Å; D101-V104 HydrophobicContact CB-CG2 4.12Å; D101-V104 PolarHBondContact O-N 2.95Å; D101-V104 VanDerWaalsContact O-N 3.14Å; D101-V104 PolarHBondContact OD1-N 2.97Å; D101-L105 PolarHBondContact O-N 2.99Å
102	Y	97.3	Very high	96.9	Very high	29 Å²	29	38.6 Å²	38.6	11%	0.114	20%	0.198	C	C	.	.	H	α-helix	trans	-59.4	-26.1	-177.7	-53.5	-53.4	0	0	0	113.6	I99 P100 L105 V106 T140 I144 L148 E226	I99-Y102 HydrophobicContact CG2-CE2 4.39Å; P100-Y102 VanDerWaalsContact C-N 3.34Å; P100-Y102 HydrophobicContact CB-CD1 4.11Å; P100-Y102 HydrophobicContact CB-CE1 3.7Å; P100-Y102 HydrophobicContact CG-CE1 4.17Å; P100-Y102 PolarHBondContact O-N 3.12Å; Y102-L105 HydrophobicContact CD1-CD1 4.31Å; Y102-L105 PolarHBondContact O-N 3.04Å; Y102-V106 VanDerWaalsContact O-CB 3.27Å; Y102-V106 WeakPolarHBondContact O-CB 3.37Å; Y102-V106 WeakPolarHBondContact O-CG2 3.18Å; Y102-V106 PolarHBondContact O-N 3.04Å; Y102-T140 HydrophobicContact CE1-CG2 3.8Å; Y102-I144 HydrophobicContact CD1-CD1 4.08Å; Y102-I144 HydrophobicContact CD1-CG1 3.81Å; Y102-I144 HydrophobicContact CD2-CD1 4.48Å; Y102-I144 HydrophobicContact CD2-CG1 4.43Å; Y102-I144 HydrophobicContact CE1-CD1 4.46Å; Y102-I144 HydrophobicContact CE1-CG1 3.7Å; Y102-I144 HydrophobicContact CE2-CG1 4.36Å; Y102-I144 HydrophobicContact CG-CD1 4.06Å; Y102-I144 HydrophobicContact CG-CG1 4.15Å; Y102-L148 HydrophobicContact CD1-CD1 3.64Å; Y102-L148 HydrophobicContact CE1-CD1 4.18Å; Y102-E226 HydrophobicContact CD2-CB 4.19Å; Y102-E226 HydrophobicContact CE2-CB 3.74Å; Y102-E226 VanDerWaalsContact CE2-CD 3.45Å; Y102-E226 HydrophobicContact CE2-CG 3.9Å; Y102-E226 VanDerWaalsContact CE2-OE2 3.31Å; Y102-E226 WeakPolarHBondContact CE2-OE2 3.31Å; Y102-E226 PolarHBondContact OH-OE2 3.13Å
103	K	96.5	Very high	96.7	Very high	115 Å²	115	39.9 Å²	39.9	50%	0.5	21%	0.208	S	C	.	.	H	α-helix	trans	-67	-43.3	178.2	-67.2	173.9	-171.7	158.9	0	110.8	D101 V106 E107	D101-K103 PolarHBondContact O-N 3.4Å; D101-K103 VanDerWaalsContact O-N 3.13Å; D101-K103 PolarHBondContact OD1-N 3.35Å; K103-V106 PolarHBondContact O-N 2.82Å; K103-E107 WeakPolarHBondContact O-CB 3.48Å; K103-E107 WeakPolarHBondContact O-CG 3.14Å; K103-E107 PolarHBondContact O-N 3.47Å
104	V	98	Very high	96.7	Very high	7 Å²	7	37 Å²	37	4%	0.042	19%	0.193	C	C	.	.	H	α-helix	trans	-63.7	-45.6	176.6	178.2	0	0	0	0	110.8	L90 A94 D101 V106 E107 I108	L90-V104 HydrophobicContact CB-CG1 4.28Å; A94-V104 HydrophobicContact CB-CB 3.86Å; A94-V104 HydrophobicContact CB-CG1 3.91Å; D101-V104 HydrophobicContact CB-CB 4.35Å; D101-V104 HydrophobicContact CB-CG2 4.12Å; D101-V104 PolarHBondContact O-N 2.95Å; D101-V104 VanDerWaalsContact O-N 3.14Å; D101-V104 PolarHBondContact OD1-N 2.97Å; V104-V106 VanDerWaalsContact C-N 3.33Å; V104-V106 PolarHBondContact O-N 3.14Å; V104-E107 WeakPolarHBondContact O-CB 3.48Å; V104-E107 PolarHBondContact O-N 3.46Å; V104-I108 HydrophobicContact CG1-CD1 3.97Å; V104-I108 WeakPolarHBondContact O-CG1 3.5Å; V104-I108 PolarHBondContact O-N 3.41Å
105	L	98.3	Very high	96.7	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.01	21%	0.21	C	C	.	.	H	α-helix	trans	-61.1	-42.8	178.6	-64.4	166.7	0	0	0	111.6	A91 A94 L95 P100 D101 Y102 I108 A109 L136 L148	A91-L105 HydrophobicContact CB-CD2 4.12Å; A94-L105 HydrophobicContact CB-CD2 4.12Å; A94-L105 HydrophobicContact CB-CG 4Å; L95-L105 HydrophobicContact CD1-CD2 4.48Å; L95-L105 HydrophobicContact CD2-CD1 3.93Å; L95-L105 HydrophobicContact CD2-CD2 4.48Å; L95-L105 HydrophobicContact CG-CD1 4.33Å; L95-L105 HydrophobicContact CG-CD2 4.13Å; P100-L105 HydrophobicContact CB-CD1 4.42Å; D101-L105 PolarHBondContact O-N 2.99Å; Y102-L105 HydrophobicContact CD1-CD1 4.31Å; Y102-L105 PolarHBondContact O-N 3.04Å; L105-I108 PolarHBondContact O-N 2.95Å; L105-A109 WeakPolarHBondContact O-CB 3.42Å; L105-A109 PolarHBondContact O-N 3.44Å; L105-L136 HydrophobicContact CD1-CD2 3.85Å; L105-L136 HydrophobicContact CD2-CD2 4.25Å; L105-L148 HydrophobicContact CB-CD2 4.16Å; L105-L148 HydrophobicContact CD1-CD1 4.21Å
106	V	98.1	Very high	96.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.9	-42.7	174.7	164.3	0	0	0	0	112.1	Y102 K103 V104 I108 A109 C110 L148 A230 A233 A234	Y102-V106 VanDerWaalsContact O-CB 3.27Å; Y102-V106 WeakPolarHBondContact O-CB 3.37Å; Y102-V106 WeakPolarHBondContact O-CG2 3.18Å; Y102-V106 PolarHBondContact O-N 3.04Å; K103-V106 PolarHBondContact O-N 2.82Å; V104-V106 VanDerWaalsContact C-N 3.33Å; V104-V106 PolarHBondContact O-N 3.14Å; V106-I108 VanDerWaalsContact C-N 3.3Å; V106-I108 PolarHBondContact O-N 3.45Å; V106-A109 PolarHBondContact O-N 3.09Å; V106-C110 VanDerWaalsContact O-CB 3.25Å; V106-C110 WeakPolarHBondContact O-CB 3.41Å; V106-C110 PolarHBondContact O-N 3.46Å; V106-C110 PolarHBondContact O-SG 2.98Å; V106-L148 HydrophobicContact CG2-CD2 3.73Å; V106-A230 HydrophobicContact CG2-CB 4.04Å; V106-A233 HydrophobicContact CG1-CB 4Å; V106-A234 HydrophobicContact CG1-CB 3.73Å; V106-A234 VanDerWaalsContact CG1-N 3.33Å
107	E	97.7	Very high	96.7	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-56.9	-47	176	-76	164.6	-150.2	0	0	110.7	K103 V104 M111 R112 Y244 Y245 R265	K103-E107 WeakPolarHBondContact O-CB 3.48Å; K103-E107 WeakPolarHBondContact O-CG 3.14Å; K103-E107 PolarHBondContact O-N 3.47Å; V104-E107 WeakPolarHBondContact O-CB 3.48Å; V104-E107 PolarHBondContact O-N 3.46Å; E107-M111 HydrophobicContact CG-CE 4.49Å; E107-M111 WeakPolarHBondContact O-CB 3.48Å; E107-M111 PolarHBondContact O-N 3.06Å; E107-M111 VanDerWaalsContact O-N 3.16Å; E107-R112 PolarHBondContact O-NH1 2.97Å; E107-Y244 HydrophobicContact CG-CD1 4.41Å; E107-Y244 HydrophobicContact CG-CE1 3.46Å; E107-Y244 VanDerWaalsContact CG-CE1 3.46Å; E107-Y244 WeakPolarHBondContact OE1-CE1 3.39Å; E107-Y244 PolarHBondContact OE1-OH 3.38Å; E107-Y245 HydrophobicContact CG-CE1 4.34Å; E107-R265 IonicContact OE1-CZ 3.59Å; E107-R265 IonicContact OE1-NH2 3.92Å; E107-R265 PolarHBondContact OE1-NH2 2.93Å; E107-R265 IonicContact OE2-CZ 3.74Å; E107-R265 IonicContact OE2-NE 3.62Å; E107-R265 PolarHBondContact OE2-NE 3.42Å; E107-R265 IonicContact OE2-NH2 2.92Å; E107-R265 PolarHBondContact OE2-NH2 2.86Å; E107-R265 VanDerWaalsContact OE2-NH2 3.14Å
108	I	98	Very high	96.8	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.015	20%	0.198	C	C	.	.	H	α-helix	trans	-60.9	-48.8	176.9	-64.4	166	0	0	0	110.8	D87 L90 A91 V104 L105 V106 C110 R112 M117	D87-I108 HydrophobicContact CB-CG2 4.35Å; L90-I108 HydrophobicContact CB-CD1 3.93Å; A91-I108 HydrophobicContact CB-CD1 3.9Å; V104-I108 HydrophobicContact CG1-CD1 3.97Å; V104-I108 WeakPolarHBondContact O-CG1 3.5Å; V104-I108 PolarHBondContact O-N 3.41Å; L105-I108 PolarHBondContact O-N 2.95Å; V106-I108 VanDerWaalsContact C-N 3.3Å; V106-I108 PolarHBondContact O-N 3.45Å; I108-C110 PolarHBondContact O-N 3.03Å; I108-R112 WeakPolarHBondContact O-CD 3.16Å; I108-R112 WeakPolarHBondContact O-CG 3.33Å; I108-M117 HydrophobicContact CG2-CE 4.29Å; I108-M117 HydrophobicContact CG2-SD 4.06Å
109	A	97.1	Very high	97	Very high	9 Å²	9	32.3 Å²	32.3	7%	0.074	17%	0.169	C	C	.	.	H	α-helix	trans	-69.5	-28	-177.4	0	0	0	0	0	114.5	L105 V106 M151 V152	L105-A109 WeakPolarHBondContact O-CB 3.42Å; L105-A109 PolarHBondContact O-N 3.44Å; V106-A109 PolarHBondContact O-N 3.09Å; A109-M151 HydrophobicContact CB-CB 3.85Å; A109-M151 HydrophobicContact CB-CE 4.49Å; A109-V152 HydrophobicContact CB-CG1 3.83Å
110	C	96.1	Very high	97.2	Very high	10 Å²	10	27 Å²	27	7%	0.068	14%	0.143	C	C	.	.	H	α-helix	trans	-96.5	-25.7	-172.6	-64.8	0	0	0	0	115.1	V106 I108 M151 C237 I238	V106-C110 VanDerWaalsContact O-CB 3.25Å; V106-C110 WeakPolarHBondContact O-CB 3.41Å; V106-C110 PolarHBondContact O-N 3.46Å; V106-C110 PolarHBondContact O-SG 2.98Å; I108-C110 PolarHBondContact O-N 3.03Å; C110-M151 WeakPolarHBondContact SG-CE 3.16Å; C110-C237 HydrophobicContact CB-CB 3.63Å; C110-I238 HydrophobicContact CB-CG1 4.17Å
111	M	95.2	Very high	97.3	Very high	26 Å²	26	28.4 Å²	28.4	13%	0.128	15%	0.146	C	C	.	.	S	Bend	trans	-117.4	14.4	-165.5	-55.2	-169.5	-172.3	0	0	113.7	E107 C237 P241 Y244 Y245	E107-M111 HydrophobicContact CG-CE 4.49Å; E107-M111 WeakPolarHBondContact O-CB 3.48Å; E107-M111 PolarHBondContact O-N 3.06Å; E107-M111 VanDerWaalsContact O-N 3.16Å; M111-C237 HydrophobicContact CE-CB 3.34Å; M111-C237 WeakPolarHBondContact CE-SG 3.29Å; M111-C237 HydrophobicContact CG-CB 4.08Å; M111-P241 HydrophobicContact CE-CB 4.16Å; M111-P241 HydrophobicContact SD-CB 3.87Å; M111-Y244 HydrophobicContact CE-CD1 3.51Å; M111-Y244 HydrophobicContact CE-CE1 4.13Å; M111-Y244 HydrophobicContact CE-CG 3.99Å; M111-Y245 HydrophobicContact CE-CD2 4.45Å; M111-Y245 HydrophobicContact CE-CE1 4.41Å; M111-Y245 HydrophobicContact CE-CE2 4Å; M111-Y245 HydrophobicContact SD-CD2 4.08Å; M111-Y245 HydrophobicContact SD-CE1 4.21Å; M111-Y245 HydrophobicContact SD-CE2 3.17Å; M111-Y245 WeakPolarHBondContact SD-CE2 2.88Å; M111-Y245 PolarHBondContact SD-OH 3.18Å
112	R	95.9	Very high	97.4	Very high	32 Å²	32	34.8 Å²	34.8	12%	0.121	17%	0.168	C	C	.	.	S	Bend	trans	-109.7	144.7	175.8	-76.7	45	170.7	-170.4	4.7	106.6	D87 E107 I108 D116 M117 Y245	D87-R112 IonicContact OD1-CZ 2.88Å; D87-R112 IonicContact OD1-NE 2.99Å; D87-R112 PolarHBondContact OD1-NE 3.09Å; D87-R112 IonicContact OD1-NH2 3.61Å; D87-R112 PolarHBondContact OD1-NH2 3.14Å; D87-R112 WeakPolarHBondContact OD2-CG 3.45Å; D87-R112 IonicContact OD2-CZ 3.5Å; D87-R112 IonicContact OD2-NE 2.81Å; D87-R112 PolarHBondContact OD2-NE 2.63Å; D87-R112 IonicContact OD2-NH2 3.75Å; E107-R112 PolarHBondContact O-NH1 2.97Å; I108-R112 WeakPolarHBondContact O-CD 3.16Å; I108-R112 WeakPolarHBondContact O-CG 3.33Å; R112-D116 HydrophobicContact CB-CB 3.99Å; R112-D116 HydrophobicContact CG-CB 4.35Å; R112-M117 HydrophobicContact CB-CB 4.27Å; R112-Y245 PolarHBondContact NH1-OH 3.4Å
113	S	95.6	Very high	97.5	Very high	40 Å²	40	34 Å²	34	28%	0.28	17%	0.168	S	C	.	.			trans	-65.5	163.2	168.7	85.5	0	0	0	0	109.6	E115 D116 M117	S113-E115 PolarHBondContact O-N 2.94Å; S113-E115 PolarHBondContact OG-N 2.97Å; S113-E115 PolarHBondContact OG-OE2 3.24Å; S113-D116 PolarHBondContact O-N 3.05Å; S113-D116 PolarHBondContact OG-N 3.26Å; S113-D116 VanDerWaalsContact OG-N 3.13Å; S113-M117 WeakPolarHBondContact O-CB 3.45Å; S113-M117 PolarHBondContact O-N 3.28Å
114	P	96.8	Very high	97.6	Very high	14 Å²	14	28.6 Å²	28.6	9%	0.091	14%	0.144	C	C	.	.	H	α-helix	trans	-52.9	-39.7	172.9	-25	34.4	0	0	0	113.1	L118 Y155 K156 D158	P114-L118 WeakPolarHBondContact O-CB 3.38Å; P114-L118 PolarHBondContact O-N 3.16Å; P114-Y155 HydrophobicContact CB-CD1 4.22Å; P114-Y155 HydrophobicContact CB-CD2 3.98Å; P114-Y155 HydrophobicContact CB-CE1 4.12Å; P114-Y155 HydrophobicContact CB-CE2 3.91Å; P114-Y155 HydrophobicContact CB-CG 4.16Å; P114-K156 WeakPolarHBondContact CG-O 3.48Å; P114-D158 HydrophobicContact CG-CB 3.89Å
115	E	97.5	Very high	97.6	Very high	80 Å²	80	36.8 Å²	36.8	37%	0.374	18%	0.175	S	C	.	.	H	α-helix	trans	-67.2	-47.9	177.6	-62.5	65.7	-143.7	0	0	111.3	S113 M117 L118 A119 Y155	S113-E115 PolarHBondContact O-N 2.94Å; S113-E115 PolarHBondContact OG-N 2.97Å; S113-E115 PolarHBondContact OG-OE2 3.24Å; E115-M117 VanDerWaalsContact C-N 3.32Å; E115-M117 PolarHBondContact O-N 3.5Å; E115-L118 PolarHBondContact O-N 2.92Å; E115-A119 WeakPolarHBondContact O-CB 3.4Å; E115-A119 PolarHBondContact O-N 3.36Å; E115-Y155 PolarHBondContact OE1-OH 3.46Å
116	D	97.2	Very high	97.6	Very high	70 Å²	70	40.8 Å²	40.8	37%	0.374	20%	0.202	S	C	.	.	H	α-helix	trans	-60.8	-42.6	176.9	-81.8	-10.8	0	0	0	110.7	R112 S113 A119 A120	R112-D116 HydrophobicContact CB-CB 3.99Å; R112-D116 HydrophobicContact CG-CB 4.35Å; S113-D116 PolarHBondContact O-N 3.05Å; S113-D116 PolarHBondContact OG-N 3.26Å; S113-D116 VanDerWaalsContact OG-N 3.13Å; D116-A119 PolarHBondContact O-N 3.2Å; D116-A120 WeakPolarHBondContact O-CB 3.4Å; D116-A120 PolarHBondContact O-N 3.29Å
117	M	97.9	Very high	97.6	Very high	6 Å²	6	44.7 Å²	44.7	3%	0.03	22%	0.222	C	C	.	.	H	α-helix	trans	-66.6	-41.3	178	-172	66.5	-125	0	0	111.4	I108 R112 S113 E115 A119 A120 R121 L132 V152	I108-M117 HydrophobicContact CG2-CE 4.29Å; I108-M117 HydrophobicContact CG2-SD 4.06Å; R112-M117 HydrophobicContact CB-CB 4.27Å; S113-M117 WeakPolarHBondContact O-CB 3.45Å; S113-M117 PolarHBondContact O-N 3.28Å; E115-M117 VanDerWaalsContact C-N 3.32Å; E115-M117 PolarHBondContact O-N 3.5Å; M117-A119 VanDerWaalsContact C-N 3.35Å; M117-A120 PolarHBondContact O-N 2.77Å; M117-R121 HydrophobicContact CE-CG 3.73Å; M117-R121 WeakPolarHBondContact O-CG 3.24Å; M117-R121 PolarHBondContact O-N 3.39Å; M117-L132 HydrophobicContact CE-CD2 3.74Å; M117-V152 HydrophobicContact CE-CB 3.91Å; M117-V152 HydrophobicContact CE-CG1 4.2Å
118	L	98.2	Very high	97.6	Very high	47 Å²	47	47.6 Å²	47.6	25%	0.246	23%	0.233	C	C	.	.	H	α-helix	trans	-62.8	-42	173.5	179.2	61	0	0	0	111.5	P114 E115 R121 R122 Y155	P114-L118 WeakPolarHBondContact O-CB 3.38Å; P114-L118 PolarHBondContact O-N 3.16Å; E115-L118 PolarHBondContact O-N 2.92Å; L118-R121 PolarHBondContact O-N 2.96Å; L118-R122 WeakPolarHBondContact O-CG 3.39Å; L118-R122 PolarHBondContact O-N 3.37Å; L118-Y155 HydrophobicContact CB-CD2 4.44Å; L118-Y155 HydrophobicContact CB-CE2 4.29Å; L118-Y155 HydrophobicContact CD2-CD2 4.32Å; L118-Y155 HydrophobicContact CD2-CE2 3.91Å
119	A	98.5	Very high	97.6	Very high	32 Å²	32	55.2 Å²	55.2	26%	0.264	27%	0.266	S	S	.	.	H	α-helix	trans	-62.5	-44.5	175.4	0	0	0	0	0	111.4	P84 E115 D116 M117 R121 R122 A123	P84-A119 HydrophobicContact CB-CB 4.01Å; P84-A119 HydrophobicContact CG-CB 3.74Å; E115-A119 WeakPolarHBondContact O-CB 3.4Å; E115-A119 PolarHBondContact O-N 3.36Å; D116-A119 PolarHBondContact O-N 3.2Å; M117-A119 VanDerWaalsContact C-N 3.35Å; A119-R121 VanDerWaalsContact C-N 3.33Å; A119-R121 PolarHBondContact O-N 2.88Å; A119-R122 WeakPolarHBondContact O-CB 3.38Å; A119-R122 PolarHBondContact O-N 3.42Å; A119-A123 PolarHBondContact O-N 2.89Å
120	A	98.6	Very high	97.5	Very high	2 Å²	2	59.7 Å²	59.7	2%	0.017	29%	0.286	C	S	.	.	H	α-helix	trans	-60.1	-41.5	176.8	0	0	0	0	0	112	D87 D116 M117 A123 Y124	D87-A120 HydrophobicContact CB-CB 3.85Å; D116-A120 WeakPolarHBondContact O-CB 3.4Å; D116-A120 PolarHBondContact O-N 3.29Å; M117-A120 PolarHBondContact O-N 2.77Å; A120-A123 PolarHBondContact O-N 3.26Å; A120-Y124 WeakPolarHBondContact O-CB 3.42Å; A120-Y124 PolarHBondContact O-N 3.2Å
121	R	98.5	Very high	97.6	Very high	38 Å²	38	60.5 Å²	60.5	14%	0.143	29%	0.292	C	S	.	.	H	α-helix	trans	-63.5	-41	174.8	-72.4	-172.6	-72.3	173.7	-7.8	113.2	M117 L118 A119 Y124 R125 L132 E133 V152 S153	M117-R121 HydrophobicContact CE-CG 3.73Å; M117-R121 WeakPolarHBondContact O-CG 3.24Å; M117-R121 PolarHBondContact O-N 3.39Å; L118-R121 PolarHBondContact O-N 2.96Å; A119-R121 VanDerWaalsContact C-N 3.33Å; A119-R121 PolarHBondContact O-N 2.88Å; R121-Y124 PolarHBondContact O-N 3.42Å; R121-R125 PolarHBondContact O-N 3.46Å; R121-L132 HydrophobicContact CG-CD2 4.49Å; R121-E133 WeakPolarHBondContact CD-OE1 3.4Å; R121-E133 IonicContact CZ-OE1 2.91Å; R121-E133 IonicContact NE-OE1 2.7Å; R121-E133 IonicContact NH1-OE1 2.99Å; R121-E133 PolarHBondContact NH1-OE1 2.83Å; R121-V152 WeakPolarHBondContact CD-O 3.32Å; R121-V152 PolarHBondContact NE-O 3.31Å; R121-S153 PolarHBondContact NH1-O 2.86Å; R121-S153 VanDerWaalsContact NH1-O 3.09Å; R121-S153 PolarHBondContact NH2-O 2.89Å
122	R	98.6	Very high	97.8	Very high	167 Å²	167	59.5 Å²	59.5	63%	0.63	29%	0.287	S	S	*	.	H	α-helix	trans	-62.2	-45.2	174.4	-72.1	172.7	175.8	175.6	-0.4	110.9	L118 A119 Y124 R125 C126	L118-R122 WeakPolarHBondContact O-CG 3.39Å; L118-R122 PolarHBondContact O-N 3.37Å; A119-R122 WeakPolarHBondContact O-CB 3.38Å; A119-R122 PolarHBondContact O-N 3.42Å; R122-Y124 PolarHBondContact O-N 2.96Å; R122-R125 PolarHBondContact O-N 3.09Å; R122-C126 PolarHBondContact O-N 2.9Å; R122-C126 PolarHBondContact O-SG 3.41Å
123	A	98.6	Very high	97.9	Very high	14 Å²	14	59.8 Å²	59.8	12%	0.116	29%	0.289	C	S	.	.	H	α-helix	trans	-61.2	-43.3	176	0	0	0	0	0	111.8	P84 E85 A88 A119 A120 R125 C126 L127	P84-A123 HydrophobicContact CB-CB 3.88Å; P84-A123 WeakPolarHBondContact O-CB 3.44Å; E85-A123 HydrophobicContact CG-CB 4.42Å; A88-A123 HydrophobicContact CB-CB 4.11Å; A119-A123 PolarHBondContact O-N 2.89Å; A120-A123 PolarHBondContact O-N 3.26Å; A123-R125 PolarHBondContact O-N 3.35Å; A123-C126 PolarHBondContact O-N 2.96Å; A123-C126 VanDerWaalsContact O-N 3.17Å; A123-L127 WeakPolarHBondContact O-CB 3.27Å; A123-L127 WeakPolarHBondContact O-CG 3.3Å; A123-L127 PolarHBondContact O-N 3.19Å
124	Y	98.8	Very high	98	Very high	1 Å²	1	63.3 Å²	63.3	0%	0.004	30%	0.301	C	S	.	.	H	α-helix	trans	-56.9	-49	175.9	-164.7	-78.4	0	0	0	111.7	A88 A91 N92 A120 R121 R122 C126 L127 Y128 H130 L132 D135	A88-Y124 HydrophobicContact CB-CD2 4.04Å; A88-Y124 HydrophobicContact CB-CG 4.39Å; A88-Y124 WeakPolarHBondContact O-CD2 3.44Å; A91-Y124 HydrophobicContact CB-CD2 4.35Å; A91-Y124 HydrophobicContact CB-CE2 4.21Å; N92-Y124 HydrophobicContact CB-CE2 3.75Å; N92-Y124 PolarHBondContact ND2-OH 2.81Å; N92-Y124 VanDerWaalsContact ND2-OH 3.09Å; A120-Y124 WeakPolarHBondContact O-CB 3.42Å; A120-Y124 PolarHBondContact O-N 3.2Å; R121-Y124 PolarHBondContact O-N 3.42Å; R122-Y124 PolarHBondContact O-N 2.96Å; Y124-C126 VanDerWaalsContact C-N 3.32Å; Y124-C126 PolarHBondContact O-N 3.13Å; Y124-L127 PolarHBondContact O-N 2.92Å; Y124-Y128 AromaticContact CD1-CD2 3.88Å; Y124-Y128 HydrophobicContact CD1-CD2 3.88Å; Y124-Y128 AromaticContact CD2-CD2 3.77Å; Y124-Y128 HydrophobicContact CD2-CD2 3.77Å; Y124-Y128 AromaticContact CD2-CE2 3.98Å; Y124-Y128 HydrophobicContact CD2-CE2 3.98Å; Y124-Y128 AromaticContact CE1-CD2 3.86Å; Y124-Y128 HydrophobicContact CE1-CD2 3.86Å; Y124-Y128 HydrophobicContact CE1-CG 4.29Å; Y124-Y128 AromaticContact CE2-CD2 3.75Å; Y124-Y128 HydrophobicContact CE2-CD2 3.75Å; Y124-Y128 AromaticContact CE2-CE2 3.98Å; Y124-Y128 HydrophobicContact CE2-CE2 3.98Å; Y124-Y128 AromaticContact CG-CD2 3.83Å; Y124-Y128 HydrophobicContact CG-CD2 3.83Å; Y124-Y128 HydrophobicContact CG-CE2 4.42Å; Y124-Y128 AromaticContact CZ-CD2 3.77Å; Y124-Y128 WeakPolarHBondContact O-CD2 3.46Å; Y124-Y128 PolarHBondContact O-N 2.71Å; Y124-H130 WeakPolarHBondContact CD1-O 3.2Å; Y124-L132 HydrophobicContact CD1-CB 4Å; Y124-L132 HydrophobicContact CD2-CB 4.15Å; Y124-L132 HydrophobicContact CD2-CD1 4.02Å; Y124-L132 HydrophobicContact CE1-CB 4.39Å; Y124-L132 HydrophobicContact CE2-CD1 3.78Å; Y124-L132 HydrophobicContact CG-CB 3.89Å; Y124-D135 HydrophobicContact CE1-CB 4.46Å; Y124-D135 VanDerWaalsContact CE1-OD2 3.25Å; Y124-D135 WeakPolarHBondContact CE1-OD2 3.48Å; Y124-D135 VanDerWaalsContact CZ-OD2 3.3Å; Y124-D135 PolarHBondContact OH-OD2 3.43Å
125	R	98.4	Very high	98.1	Very high	179 Å²	179	63.9 Å²	63.9	68%	0.675	30%	0.304	S	S	*	.	H	α-helix	trans	-59.7	-41.4	176.2	-175.7	179.8	175.5	-178	-0.3	112.6	R121 R122 A123 K129 H130	R121-R125 PolarHBondContact O-N 3.46Å; R122-R125 PolarHBondContact O-N 3.09Å; A123-R125 PolarHBondContact O-N 3.35Å; R125-K129 VanDerWaalsContact O-CA 3.3Å; R125-K129 WeakPolarHBondContact O-CA 3.13Å; R125-K129 PolarHBondContact O-N 2.81Å; R125-H130 VanDerWaalsContact CA-O 3.31Å; R125-H130 WeakPolarHBondContact CA-O 3.18Å
126	C	98.1	Very high	98.1	Very high	86 Å²	86	60.1 Å²	60.1	58%	0.581	29%	0.286	S	S	*	.	H	α-helix	trans	-64.1	-44.2	178.1	-71.8	0	0	0	0	112.1	R122 A123 Y124 K129	R122-C126 PolarHBondContact O-N 2.9Å; R122-C126 PolarHBondContact O-SG 3.41Å; A123-C126 PolarHBondContact O-N 2.96Å; A123-C126 VanDerWaalsContact O-N 3.17Å; Y124-C126 VanDerWaalsContact C-N 3.32Å; Y124-C126 PolarHBondContact O-N 3.13Å; C126-K129 PolarHBondContact O-NZ 3.48Å
127	L	97.6	Very high	98.1	Very high	82 Å²	82	58.4 Å²	58.4	43%	0.429	28%	0.282	S	S	.	.	H	α-helix	trans	-75.6	-44.4	-175.4	-69.4	170.2	0	0	0	112.8	E85 A88 A123 Y124	E85-L127 HydrophobicContact CB-CD1 4.35Å; A88-L127 HydrophobicContact CB-CD1 4.07Å; A123-L127 WeakPolarHBondContact O-CB 3.27Å; A123-L127 WeakPolarHBondContact O-CG 3.3Å; A123-L127 PolarHBondContact O-N 3.19Å; Y124-L127 PolarHBondContact O-N 2.92Å
128	Y	97.8	Very high	98.1	Very high	61 Å²	61	62.1 Å²	62.1	24%	0.239	31%	0.308	C	S	.	.	H	α-helix	trans	-109.4	-2.9	-168.5	-57.2	-66.1	0	0	0	114.5	L89 N92 Y124 H130	L89-Y128 WeakPolarHBondContact CA-OH 3.4Å; L89-Y128 WeakPolarHBondContact CD1-OH 3.47Å; N92-Y128 HydrophobicContact CB-CD2 4.17Å; N92-Y128 HydrophobicContact CB-CE1 4.01Å; N92-Y128 HydrophobicContact CB-CE2 3.49Å; N92-Y128 VanDerWaalsContact CB-CE2 3.49Å; N92-Y128 WeakPolarHBondContact CB-OH 3.46Å; N92-Y128 VanDerWaalsContact OD1-CE1 3.29Å; N92-Y128 WeakPolarHBondContact OD1-CE1 3.45Å; Y124-Y128 AromaticContact CD1-CD2 3.88Å; Y124-Y128 HydrophobicContact CD1-CD2 3.88Å; Y124-Y128 AromaticContact CD2-CD2 3.77Å; Y124-Y128 HydrophobicContact CD2-CD2 3.77Å; Y124-Y128 AromaticContact CD2-CE2 3.98Å; Y124-Y128 HydrophobicContact CD2-CE2 3.98Å; Y124-Y128 AromaticContact CE1-CD2 3.86Å; Y124-Y128 HydrophobicContact CE1-CD2 3.86Å; Y124-Y128 HydrophobicContact CE1-CG 4.29Å; Y124-Y128 AromaticContact CE2-CD2 3.75Å; Y124-Y128 HydrophobicContact CE2-CD2 3.75Å; Y124-Y128 AromaticContact CE2-CE2 3.98Å; Y124-Y128 HydrophobicContact CE2-CE2 3.98Å; Y124-Y128 AromaticContact CG-CD2 3.83Å; Y124-Y128 HydrophobicContact CG-CD2 3.83Å; Y124-Y128 HydrophobicContact CG-CE2 4.42Å; Y124-Y128 AromaticContact CZ-CD2 3.77Å; Y124-Y128 WeakPolarHBondContact O-CD2 3.46Å; Y124-Y128 PolarHBondContact O-N 2.71Å; Y128-H130 PolarHBondContact O-N 3.25Å
129	K	97.7	Very high	98	Very high	163 Å²	163	64.7 Å²	64.7	71%	0.709	32%	0.315	S	S	*	.	S	Bend	trans	62.3	2.5	-179.2	-49	-52.2	-179.6	-162.8	0	115.4	R125 C126	R125-K129 VanDerWaalsContact O-CA 3.3Å; R125-K129 WeakPolarHBondContact O-CA 3.13Å; R125-K129 PolarHBondContact O-N 2.81Å; C126-K129 PolarHBondContact O-NZ 3.48Å
130	H	96.6	Very high	97.9	Very high	103 Å²	103	63.3 Å²	63.3	48%	0.477	30%	0.303	S	S	.	.	S	Bend	trans	-120.4	160.1	172.2	-61.4	-173.4	0	0	0	109.2	Y124 R125 Y128 D135	Y124-H130 WeakPolarHBondContact CD1-O 3.2Å; R125-H130 VanDerWaalsContact CA-O 3.31Å; R125-H130 WeakPolarHBondContact CA-O 3.18Å; Y128-H130 PolarHBondContact O-N 3.25Å; H130-D135 IonicContact CG-OD1 2.73Å; H130-D135 IonicContact ND1-OD1 3.26Å; H130-D135 PolarHBondContact ND1-OD1 3.38Å
131	S	98.1	Very high	97.8	Very high	28 Å²	28	69.2 Å²	69.2	20%	0.196	33%	0.333	C	S	.	.			trans	-78.7	154.3	170.7	64.9	0	0	0	0	111.9	E133 E134 D135	S131-E133 PolarHBondContact O-N 3.07Å; S131-E134 WeakPolarHBondContact CB-OE2 3.27Å; S131-E134 PolarHBondContact N-OE2 3.32Å; S131-E134 PolarHBondContact O-N 3.12Å; S131-E134 WeakPolarHBondContact OG-CB 3.41Å; S131-E134 WeakPolarHBondContact OG-CG 3.13Å; S131-E134 PolarHBondContact OG-N 3.16Å; S131-E134 VanDerWaalsContact OG-N 3.13Å; S131-E134 PolarHBondContact OG-OE2 3.48Å; S131-D135 PolarHBondContact O-N 3.01Å
132	L	98.4	Very high	97.6	Very high	4 Å²	4	69.6 Å²	69.6	2%	0.021	35%	0.349	C	S	.	.	H	α-helix	trans	-61.9	-36.2	174.3	174.5	57.3	0	0	0	110.6	A91 L95 M117 R121 Y124 L136 V152	A91-L132 HydrophobicContact CB-CD1 3.75Å; A91-L132 HydrophobicContact CB-CD2 4.35Å; L95-L132 HydrophobicContact CD1-CD1 3.87Å; M117-L132 HydrophobicContact CE-CD2 3.74Å; R121-L132 HydrophobicContact CG-CD2 4.49Å; Y124-L132 HydrophobicContact CD1-CB 4Å; Y124-L132 HydrophobicContact CD2-CB 4.15Å; Y124-L132 HydrophobicContact CD2-CD1 4.02Å; Y124-L132 HydrophobicContact CE1-CB 4.39Å; Y124-L132 HydrophobicContact CE2-CD1 3.78Å; Y124-L132 HydrophobicContact CG-CB 3.89Å; L132-L136 HydrophobicContact CD1-CD1 4.03Å; L132-L136 HydrophobicContact CD1-CG 4.23Å; L132-L136 HydrophobicContact CG-CD1 3.89Å; L132-L136 WeakPolarHBondContact O-CB 3.29Å; L132-L136 WeakPolarHBondContact O-CG 3.39Å; L132-L136 PolarHBondContact O-N 2.88Å; L132-V152 HydrophobicContact CD2-CB 4.3Å; L132-V152 HydrophobicContact CD2-CG1 4.22Å
133	E	98.3	Very high	97.4	Very high	39 Å²	39	63.8 Å²	63.8	18%	0.182	33%	0.33	C	S	.	.	H	α-helix	trans	-61	-45.8	176.5	-67.7	87.8	157.8	0	0	112.8	R121 S131 L136 A137 V152 S153	R121-E133 WeakPolarHBondContact CD-OE1 3.4Å; R121-E133 IonicContact CZ-OE1 2.91Å; R121-E133 IonicContact NE-OE1 2.7Å; R121-E133 IonicContact NH1-OE1 2.99Å; R121-E133 PolarHBondContact NH1-OE1 2.83Å; S131-E133 PolarHBondContact O-N 3.07Å; E133-L136 PolarHBondContact O-N 2.87Å; E133-A137 VanDerWaalsContact O-CB 3.26Å; E133-A137 WeakPolarHBondContact O-CB 3.22Å; E133-A137 PolarHBondContact O-N 3.09Å; E133-V152 HydrophobicContact CG-CG2 4.15Å; E133-S153 WeakPolarHBondContact CG-OG 2.98Å
134	E	98	Very high	97.3	Very high	114 Å²	114	63.4 Å²	63.4	53%	0.533	33%	0.327	S	S	.	.	H	α-helix	trans	-63.5	-45.1	177.7	-76.8	160.2	156.9	0	0	111.6	S131 A137 S138	S131-E134 WeakPolarHBondContact CB-OE2 3.27Å; S131-E134 PolarHBondContact N-OE2 3.32Å; S131-E134 PolarHBondContact O-N 3.12Å; S131-E134 WeakPolarHBondContact OG-CB 3.41Å; S131-E134 WeakPolarHBondContact OG-CG 3.13Å; S131-E134 PolarHBondContact OG-N 3.16Å; S131-E134 VanDerWaalsContact OG-N 3.13Å; S131-E134 PolarHBondContact OG-OE2 3.48Å; E134-A137 PolarHBondContact O-N 3.5Å; E134-S138 WeakPolarHBondContact O-CB 3.48Å; E134-S138 PolarHBondContact O-N 3.14Å; E134-S138 PolarHBondContact O-OG 3.16Å; E134-S138 VanDerWaalsContact O-OG 3.05Å
135	D	98.2	Very high	97.2	Very high	26 Å²	26	67.9 Å²	67.9	14%	0.139	34%	0.343	C	S	.	.	H	α-helix	trans	-68	-38	178.8	-74.3	-9.9	0	0	0	111.2	L95 Y124 H130 S131 S138 R139	L95-D135 HydrophobicContact CD1-CB 3.94Å; Y124-D135 HydrophobicContact CE1-CB 4.46Å; Y124-D135 VanDerWaalsContact CE1-OD2 3.25Å; Y124-D135 WeakPolarHBondContact CE1-OD2 3.48Å; Y124-D135 VanDerWaalsContact CZ-OD2 3.3Å; Y124-D135 PolarHBondContact OH-OD2 3.43Å; H130-D135 IonicContact CG-OD1 2.73Å; H130-D135 IonicContact ND1-OD1 3.26Å; H130-D135 PolarHBondContact ND1-OD1 3.38Å; S131-D135 PolarHBondContact O-N 3.01Å; D135-S138 WeakPolarHBondContact CA-OG 3.42Å; D135-S138 PolarHBondContact O-OG 3.03Å; D135-S138 VanDerWaalsContact O-OG 3.05Å; D135-R139 VanDerWaalsContact O-CB 3.24Å; D135-R139 WeakPolarHBondContact O-CB 3.4Å; D135-R139 WeakPolarHBondContact O-CG 3.37Å; D135-R139 PolarHBondContact O-N 3.45Å
136	L	97.8	Very high	97.2	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-61.6	-47.8	171.2	-85.3	163.9	0	0	0	111.8	L95 L105 L132 E133 S138 R139 T140 L148 V149 V152	L95-L136 HydrophobicContact CD1-CG 4.41Å; L95-L136 HydrophobicContact CD2-CD2 3.89Å; L95-L136 HydrophobicContact CD2-CG 4.28Å; L105-L136 HydrophobicContact CD1-CD2 3.85Å; L105-L136 HydrophobicContact CD2-CD2 4.25Å; L132-L136 HydrophobicContact CD1-CD1 4.03Å; L132-L136 HydrophobicContact CD1-CG 4.23Å; L132-L136 HydrophobicContact CG-CD1 3.89Å; L132-L136 WeakPolarHBondContact O-CB 3.29Å; L132-L136 WeakPolarHBondContact O-CG 3.39Å; L132-L136 PolarHBondContact O-N 2.88Å; E133-L136 PolarHBondContact O-N 2.87Å; L136-S138 VanDerWaalsContact C-N 3.31Å; L136-S138 PolarHBondContact O-N 3.28Å; L136-R139 PolarHBondContact O-N 3Å; L136-T140 WeakPolarHBondContact O-CB 3.45Å; L136-T140 WeakPolarHBondContact O-CG2 3.14Å; L136-T140 PolarHBondContact O-N 2.7Å; L136-T140 VanDerWaalsContact O-N 3.12Å; L136-T140 PolarHBondContact O-OG1 3.15Å; L136-L148 HydrophobicContact CD2-CB 3.89Å; L136-L148 HydrophobicContact CD2-CD1 3.97Å; L136-V149 HydrophobicContact CB-CG2 3.97Å; L136-V152 HydrophobicContact CD1-CB 4.23Å; L136-V152 HydrophobicContact CD1-CG1 3.82Å; L136-V152 HydrophobicContact CD1-CG2 3.45Å; L136-V152 VanDerWaalsContact CD1-CG2 3.45Å
137	A	97.7	Very high	97.2	Very high	35 Å²	35	60 Å²	60	29%	0.289	30%	0.302	S	S	.	.	H	α-helix	trans	-62.3	-39.8	-178.4	0	0	0	0	0	112	E133 E134 T140 R145 V149	E133-A137 VanDerWaalsContact O-CB 3.26Å; E133-A137 WeakPolarHBondContact O-CB 3.22Å; E133-A137 PolarHBondContact O-N 3.09Å; E134-A137 PolarHBondContact O-N 3.5Å; A137-T140 VanDerWaalsContact O-O 3.14Å; A137-R145 PolarHBondContact O-NE 3.41Å; A137-R145 PolarHBondContact O-NH2 2.61Å; A137-V149 HydrophobicContact CB-CG2 4.3Å
138	S	97.5	Very high	97.2	Very high	84 Å²	84	56.2 Å²	56.2	59%	0.587	28%	0.281	S	S	*	.	H	α-helix	trans	-75.8	-32.5	-179.9	63.3	0	0	0	0	113.5	E134 D135 L136	E134-S138 WeakPolarHBondContact O-CB 3.48Å; E134-S138 PolarHBondContact O-N 3.14Å; E134-S138 PolarHBondContact O-OG 3.16Å; E134-S138 VanDerWaalsContact O-OG 3.05Å; D135-S138 WeakPolarHBondContact CA-OG 3.42Å; D135-S138 PolarHBondContact O-OG 3.03Å; D135-S138 VanDerWaalsContact O-OG 3.05Å; L136-S138 VanDerWaalsContact C-N 3.31Å; L136-S138 PolarHBondContact O-N 3.28Å
139	R	96.8	Very high	97.2	Very high	101 Å²	101	55 Å²	55	38%	0.381	28%	0.281	S	S	.	.	H	α-helix	trans	-92.8	-6.9	-175.8	-63.4	-58.7	-55.5	-74.5	-10.1	115	L95 K97 P100 D135 L136	L95-R139 HydrophobicContact CD2-CB 4.05Å; L95-R139 HydrophobicContact CD2-CG 4.5Å; L95-R139 PolarHBondContact O-NH1 3.25Å; L95-R139 PolarHBondContact O-NH2 3.04Å; K97-R139 PolarHBondContact O-NH2 3.14Å; P100-R139 HydrophobicContact CG-CB 4.44Å; D135-R139 VanDerWaalsContact O-CB 3.24Å; D135-R139 WeakPolarHBondContact O-CB 3.4Å; D135-R139 WeakPolarHBondContact O-CG 3.37Å; D135-R139 PolarHBondContact O-N 3.45Å; L136-R139 PolarHBondContact O-N 3Å
140	T	96.3	Very high	97.2	Very high	3 Å²	3	48.6 Å²	48.6	2%	0.018	26%	0.258	C	S	.	.			trans	-128.1	164.9	-179.1	67.2	0	0	0	0	110.8	Y102 L136 A137 R145 L148	Y102-T140 HydrophobicContact CE1-CG2 3.8Å; L136-T140 WeakPolarHBondContact O-CB 3.45Å; L136-T140 WeakPolarHBondContact O-CG2 3.14Å; L136-T140 PolarHBondContact O-N 2.7Å; L136-T140 VanDerWaalsContact O-N 3.12Å; L136-T140 PolarHBondContact O-OG1 3.15Å; A137-T140 VanDerWaalsContact O-O 3.14Å; T140-R145 PolarHBondContact O-NE 3.38Å; T140-R145 PolarHBondContact O-NH2 3.1Å; T140-R145 WeakPolarHBondContact OG1-CA 3.41Å; T140-R145 WeakPolarHBondContact OG1-CB 3.44Å; T140-R145 WeakPolarHBondContact OG1-CG 3.29Å; T140-L148 HydrophobicContact CG2-CD1 4.35Å
141	I	95.6	Very high	97.2	Very high	125 Å²	125	43.8 Å²	43.8	64%	0.641	24%	0.236	S	C	*	.			trans	-136.5	165.7	178.9	58.6	169.3	0	0	0	111.1	I144 R145	I141-I144 WeakPolarHBondContact O-CG2 3.41Å; I141-R145 PolarHBondContact O-N 2.88Å
142	G	95.1	Very high	97.2	Very high	47 Å²	47	42.6 Å²	42.6	49%	0.485	23%	0.227	S	C	.	.	H	α-helix	trans	56.5	-141.9	171.4	0	0	0	0	0	114.6	I144 R145 R146	G142-I144 PolarHBondContact O-N 3.42Å; G142-R145 WeakPolarHBondContact O-CB 3.35Å; G142-R145 PolarHBondContact O-N 3.17Å; G142-R146 PolarHBondContact O-N 3.3Å; G142-R146 VanDerWaalsContact O-N 3.12Å
143	D	94.8	Very high	97.2	Very high	44 Å²	44	44.4 Å²	44.4	24%	0.235	24%	0.24	C	C	.	.	H	α-helix	trans	-71.5	-28.9	-172.8	-59.6	-33.4	0	0	0	113.8	R145 R146 L147 H185 Y227	D143-R145 VanDerWaalsContact C-N 3.3Å; D143-R145 PolarHBondContact O-N 3.34Å; D143-R146 PolarHBondContact O-N 3.23Å; D143-R146 IonicContact OD1-CZ 2.85Å; D143-R146 IonicContact OD1-NE 3.74Å; D143-R146 PolarHBondContact OD1-NE 2.7Å; D143-R146 IonicContact OD1-NH2 3.95Å; D143-R146 PolarHBondContact OD1-NH2 3.17Å; D143-L147 VanDerWaalsContact O-CB 3.28Å; D143-L147 WeakPolarHBondContact O-CB 3.49Å; D143-L147 PolarHBondContact O-N 3.26Å; D143-H185 IonicContact OD2-CD2 2.71Å; D143-H185 PolarHBondContact OD2-CD2 2.93Å; D143-Y227 HydrophobicContact CB-CD1 4.18Å; D143-Y227 HydrophobicContact CB-CD2 3.46Å; D143-Y227 VanDerWaalsContact CB-CD2 3.46Å; D143-Y227 HydrophobicContact CB-CE2 3.87Å; D143-Y227 HydrophobicContact CB-CG 3.63Å; D143-Y227 WeakPolarHBondContact O-CD2 3.24Å
144	I	95.8	Very high	97	Very high	7 Å²	7	43.7 Å²	43.7	4%	0.036	24%	0.241	C	C	.	.	H	α-helix	trans	-65.1	-38.5	173.8	-174.4	66	0	0	0	110.6	Y102 I141 G142 L148 A230	Y102-I144 HydrophobicContact CD1-CD1 4.08Å; Y102-I144 HydrophobicContact CD1-CG1 3.81Å; Y102-I144 HydrophobicContact CD2-CD1 4.48Å; Y102-I144 HydrophobicContact CD2-CG1 4.43Å; Y102-I144 HydrophobicContact CE1-CD1 4.46Å; Y102-I144 HydrophobicContact CE1-CG1 3.7Å; Y102-I144 HydrophobicContact CE2-CG1 4.36Å; Y102-I144 HydrophobicContact CG-CD1 4.06Å; Y102-I144 HydrophobicContact CG-CG1 4.15Å; I141-I144 WeakPolarHBondContact O-CG2 3.41Å; G142-I144 PolarHBondContact O-N 3.42Å; I144-L148 HydrophobicContact CD1-CD1 3.82Å; I144-L148 HydrophobicContact CD1-CG 3.99Å; I144-L148 HydrophobicContact CG1-CD1 3.79Å; I144-L148 HydrophobicContact CG1-CG 4.32Å; I144-L148 WeakPolarHBondContact O-CB 3.46Å; I144-L148 VanDerWaalsContact O-CG 3.27Å; I144-L148 WeakPolarHBondContact O-CG 3.38Å; I144-L148 PolarHBondContact O-N 3.16Å; I144-A230 HydrophobicContact CD1-CB 3.25Å
145	R	97.5	Very high	96.9	Very high	95 Å²	95	44.5 Å²	44.5	36%	0.358	24%	0.24	S	C	.	.	H	α-helix	trans	-61.1	-53.1	171.3	-175.6	-167.6	-65.8	160.8	-8.6	111.1	A137 T140 I141 G142 D143 L147 L148 V149	A137-R145 PolarHBondContact O-NE 3.41Å; A137-R145 PolarHBondContact O-NH2 2.61Å; T140-R145 PolarHBondContact O-NE 3.38Å; T140-R145 PolarHBondContact O-NH2 3.1Å; T140-R145 WeakPolarHBondContact OG1-CA 3.41Å; T140-R145 WeakPolarHBondContact OG1-CB 3.44Å; T140-R145 WeakPolarHBondContact OG1-CG 3.29Å; I141-R145 PolarHBondContact O-N 2.88Å; G142-R145 WeakPolarHBondContact O-CB 3.35Å; G142-R145 PolarHBondContact O-N 3.17Å; D143-R145 VanDerWaalsContact C-N 3.3Å; D143-R145 PolarHBondContact O-N 3.34Å; R145-L147 VanDerWaalsContact C-N 3.3Å; R145-L147 PolarHBondContact O-N 3.04Å; R145-L148 PolarHBondContact O-N 3.27Å; R145-V149 HydrophobicContact CG-CG2 4.08Å; R145-V149 WeakPolarHBondContact O-CB 3.4Å; R145-V149 VanDerWaalsContact O-CG2 3.31Å; R145-V149 WeakPolarHBondContact O-CG2 3.35Å; R145-V149 PolarHBondContact O-N 3.03Å
146	R	97.2	Very high	96.7	Very high	100 Å²	100	44.8 Å²	44.8	38%	0.377	24%	0.24	S	C	.	.	H	α-helix	trans	-55.4	-47.5	-178.6	-68.8	-162.6	-78.8	175.4	-11.5	110.9	G142 D143 A150 D184 I189	G142-R146 PolarHBondContact O-N 3.3Å; G142-R146 VanDerWaalsContact O-N 3.12Å; D143-R146 PolarHBondContact O-N 3.23Å; D143-R146 IonicContact OD1-CZ 2.85Å; D143-R146 IonicContact OD1-NE 3.74Å; D143-R146 PolarHBondContact OD1-NE 2.7Å; D143-R146 IonicContact OD1-NH2 3.95Å; D143-R146 PolarHBondContact OD1-NH2 3.17Å; R146-A150 WeakPolarHBondContact O-CB 3.17Å; R146-A150 PolarHBondContact O-N 3.34Å; R146-A150 VanDerWaalsContact O-N 3.1Å; R146-D184 IonicContact CZ-OD2 3.78Å; R146-D184 IonicContact NH1-OD2 3.53Å; R146-D184 PolarHBondContact NH1-OD2 3.17Å; R146-D184 IonicContact NH2-OD2 3.76Å; R146-D184 PolarHBondContact NH2-OD2 3.31Å; R146-I189 HydrophobicContact CB-CD1 3.68Å
147	L	97.7	Very high	96.6	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-61	-57.1	178.3	-179.4	66.9	0	0	0	111.9	D143 R145 A150 M151 I189 L192 Y227 A230 L231	D143-L147 VanDerWaalsContact O-CB 3.28Å; D143-L147 WeakPolarHBondContact O-CB 3.49Å; D143-L147 PolarHBondContact O-N 3.26Å; R145-L147 VanDerWaalsContact C-N 3.3Å; R145-L147 PolarHBondContact O-N 3.04Å; L147-A150 PolarHBondContact O-N 2.96Å; L147-M151 HydrophobicContact CD1-CG 4.15Å; L147-M151 HydrophobicContact CD1-SD 3.53Å; L147-M151 VanDerWaalsContact CD1-SD 3.53Å; L147-M151 HydrophobicContact CG-SD 3.81Å; L147-M151 WeakPolarHBondContact O-CB 3.45Å; L147-M151 WeakPolarHBondContact O-CG 3.35Å; L147-M151 PolarHBondContact O-N 2.99Å; L147-I189 HydrophobicContact CB-CD1 4.43Å; L147-I189 HydrophobicContact CB-CG1 4.29Å; L147-I189 HydrophobicContact CD1-CG1 4.15Å; L147-L192 HydrophobicContact CD1-CD2 4.48Å; L147-Y227 HydrophobicContact CB-CD2 4.25Å; L147-Y227 HydrophobicContact CB-CE2 4.01Å; L147-Y227 HydrophobicContact CD2-CD2 4.11Å; L147-Y227 HydrophobicContact CD2-CE2 3.98Å; L147-Y227 HydrophobicContact CG-CE2 4.43Å; L147-A230 HydrophobicContact CD2-CB 4.24Å; L147-L231 HydrophobicContact CD2-CB 4.3Å
148	L	98.1	Very high	96.3	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-66.4	-44.9	-172	-66.7	173.7	0	0	0	111.9	Y102 L105 V106 L136 T140 I144 R145 A150 M151 V152	Y102-L148 HydrophobicContact CD1-CD1 3.64Å; Y102-L148 HydrophobicContact CE1-CD1 4.18Å; L105-L148 HydrophobicContact CB-CD2 4.16Å; L105-L148 HydrophobicContact CD1-CD1 4.21Å; V106-L148 HydrophobicContact CG2-CD2 3.73Å; L136-L148 HydrophobicContact CD2-CB 3.89Å; L136-L148 HydrophobicContact CD2-CD1 3.97Å; T140-L148 HydrophobicContact CG2-CD1 4.35Å; I144-L148 HydrophobicContact CD1-CD1 3.82Å; I144-L148 HydrophobicContact CD1-CG 3.99Å; I144-L148 HydrophobicContact CG1-CD1 3.79Å; I144-L148 HydrophobicContact CG1-CG 4.32Å; I144-L148 WeakPolarHBondContact O-CB 3.46Å; I144-L148 VanDerWaalsContact O-CG 3.27Å; I144-L148 WeakPolarHBondContact O-CG 3.38Å; I144-L148 PolarHBondContact O-N 3.16Å; R145-L148 PolarHBondContact O-N 3.27Å; L148-A150 PolarHBondContact O-N 2.88Å; L148-M151 PolarHBondContact O-N 3.43Å; L148-V152 WeakPolarHBondContact O-CG2 3.14Å; L148-V152 PolarHBondContact O-N 3.48Å
149	V	98.3	Very high	96.2	Very high	37 Å²	37	50.5 Å²	50.5	22%	0.224	25%	0.254	C	S	.	.	H	α-helix	trans	-60	-47	177.1	174.4	0	0	0	0	110.1	L136 A137 R145 M151 V152 S153	L136-V149 HydrophobicContact CB-CG2 3.97Å; A137-V149 HydrophobicContact CB-CG2 4.3Å; R145-V149 HydrophobicContact CG-CG2 4.08Å; R145-V149 WeakPolarHBondContact O-CB 3.4Å; R145-V149 VanDerWaalsContact O-CG2 3.31Å; R145-V149 WeakPolarHBondContact O-CG2 3.35Å; R145-V149 PolarHBondContact O-N 3.03Å; V149-M151 VanDerWaalsContact C-N 3.34Å; V149-M151 PolarHBondContact O-N 2.71Å; V149-V152 WeakPolarHBondContact O-CG2 3.25Å; V149-S153 WeakPolarHBondContact O-CB 3.37Å; V149-S153 PolarHBondContact O-N 2.86Å; V149-S153 PolarHBondContact O-OG 3.34Å
150	A	97.9	Very high	96.1	Very high	28 Å²	28	53.7 Å²	53.7	23%	0.231	27%	0.273	C	S	.	.	H	α-helix	trans	-61.7	-41.1	179.1	0	0	0	0	0	112.3	R146 L147 L148 A154 I189	R146-A150 WeakPolarHBondContact O-CB 3.17Å; R146-A150 PolarHBondContact O-N 3.34Å; R146-A150 VanDerWaalsContact O-N 3.1Å; L147-A150 PolarHBondContact O-N 2.96Å; L148-A150 PolarHBondContact O-N 2.88Å; A150-A154 WeakPolarHBondContact O-CB 3.24Å; A150-A154 PolarHBondContact O-N 2.91Å; A150-I189 HydrophobicContact CB-CG2 3.93Å
151	M	97.2	Very high	96.1	Very high	2 Å²	2	59.5 Å²	59.5	1%	0.01	30%	0.301	C	S	.	.	H	α-helix	trans	-71.3	-40.5	-178.2	-68.9	-177.5	73.2	0	0	113.5	A109 C110 L147 L148 V149 A234	A109-M151 HydrophobicContact CB-CB 3.85Å; A109-M151 HydrophobicContact CB-CE 4.49Å; C110-M151 WeakPolarHBondContact SG-CE 3.16Å; L147-M151 HydrophobicContact CD1-CG 4.15Å; L147-M151 HydrophobicContact CD1-SD 3.53Å; L147-M151 VanDerWaalsContact CD1-SD 3.53Å; L147-M151 HydrophobicContact CG-SD 3.81Å; L147-M151 WeakPolarHBondContact O-CB 3.45Å; L147-M151 WeakPolarHBondContact O-CG 3.35Å; L147-M151 PolarHBondContact O-N 2.99Å; L148-M151 PolarHBondContact O-N 3.43Å; V149-M151 VanDerWaalsContact C-N 3.34Å; V149-M151 PolarHBondContact O-N 2.71Å; M151-A234 HydrophobicContact CE-CB 3.99Å; M151-A234 HydrophobicContact SD-CB 4.33Å
152	V	97.6	Very high	96.2	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.012	29%	0.286	C	S	.	.	H	α-helix	trans	-75	-28.7	177.8	-60.1	0	0	0	0	112.7	A109 M117 R121 L132 E133 L136 L148 V149	A109-V152 HydrophobicContact CB-CG1 3.83Å; M117-V152 HydrophobicContact CE-CB 3.91Å; M117-V152 HydrophobicContact CE-CG1 4.2Å; R121-V152 WeakPolarHBondContact CD-O 3.32Å; R121-V152 PolarHBondContact NE-O 3.31Å; L132-V152 HydrophobicContact CD2-CB 4.3Å; L132-V152 HydrophobicContact CD2-CG1 4.22Å; E133-V152 HydrophobicContact CG-CG2 4.15Å; L136-V152 HydrophobicContact CD1-CB 4.23Å; L136-V152 HydrophobicContact CD1-CG1 3.82Å; L136-V152 HydrophobicContact CD1-CG2 3.45Å; L136-V152 VanDerWaalsContact CD1-CG2 3.45Å; L148-V152 WeakPolarHBondContact O-CG2 3.14Å; L148-V152 PolarHBondContact O-N 3.48Å; V149-V152 WeakPolarHBondContact O-CG2 3.25Å
153	S	97.3	Very high	96.3	Very high	42 Å²	42	58.4 Å²	58.4	29%	0.294	28%	0.284	S	S	.	.	H	α-helix	trans	-78.9	-28	-176.6	-55.9	0	0	0	0	112.4	R121 E133 V149 Y155	R121-S153 PolarHBondContact NH1-O 2.86Å; R121-S153 VanDerWaalsContact NH1-O 3.09Å; R121-S153 PolarHBondContact NH2-O 2.89Å; E133-S153 WeakPolarHBondContact CG-OG 2.98Å; V149-S153 WeakPolarHBondContact O-CB 3.37Å; V149-S153 PolarHBondContact O-N 2.86Å; V149-S153 PolarHBondContact O-OG 3.34Å; S153-Y155 PolarHBondContact O-N 2.85Å
154	A	94.1	Very high	96.5	Very high	24 Å²	24	60.3 Å²	60.3	20%	0.198	29%	0.292	C	S	.	.			trans	-64.3	130.1	-172.3	0	0	0	0	0	112.8	A150 K156 S193	A150-A154 WeakPolarHBondContact O-CB 3.24Å; A150-A154 PolarHBondContact O-N 2.91Å; A154-K156 HydrophobicContact CB-CD 4.41Å; A154-K156 HydrophobicContact CB-CG 3.75Å; A154-S193 WeakPolarHBondContact CB-O 3.29Å
155	Y	96.3	Very high	96.6	Very high	131 Å²	131	67.4 Å²	67.4	51%	0.514	33%	0.326	S	S	.	.			trans	-101.1	85.3	164	-162	-85.7	0	0	0	107.6	P114 E115 L118 S153	P114-Y155 HydrophobicContact CB-CD1 4.22Å; P114-Y155 HydrophobicContact CB-CD2 3.98Å; P114-Y155 HydrophobicContact CB-CE1 4.12Å; P114-Y155 HydrophobicContact CB-CE2 3.91Å; P114-Y155 HydrophobicContact CB-CG 4.16Å; E115-Y155 PolarHBondContact OE1-OH 3.46Å; L118-Y155 HydrophobicContact CB-CD2 4.44Å; L118-Y155 HydrophobicContact CB-CE2 4.29Å; L118-Y155 HydrophobicContact CD2-CD2 4.32Å; L118-Y155 HydrophobicContact CD2-CE2 3.91Å; S153-Y155 PolarHBondContact O-N 2.85Å
156	K	94.1	Very high	96.6	Very high	32 Å²	32	65.3 Å²	65.3	14%	0.139	32%	0.322	C	S	.	.			trans	-78.2	156	-170	-56.3	-173.8	-160.4	178	0	111.1	P114 A154 D158 L192 S193 R195	P114-K156 WeakPolarHBondContact CG-O 3.48Å; A154-K156 HydrophobicContact CB-CD 4.41Å; A154-K156 HydrophobicContact CB-CG 3.75Å; K156-D158 PolarHBondContact O-N 3.35Å; K156-L192 PolarHBondContact NZ-O 3.42Å; K156-S193 WeakPolarHBondContact CE-O 3.43Å; K156-S193 WeakPolarHBondContact CG-O 3.43Å; K156-R195 WeakPolarHBondContact CD-O 3.43Å
157	Y	95.3	Very high	96.7	Very high	126 Å²	126	60.5 Å²	60.5	49%	0.494	30%	0.304	S	S	.	.			trans	-60.6	133.9	160.6	-173.9	-113.6	0	0	0	109.7	G159 E161 S196	Y157-G159 VanDerWaalsContact CE1-CA 3.45Å; Y157-E161 HydrophobicContact CE1-CB 4.46Å; Y157-E161 PolarHBondContact OH-OE2 3.4Å; Y157-S196 WeakPolarHBondContact O-CA 3.26Å; Y157-S196 WeakPolarHBondContact O-CB 3.17Å
158	D	92.9	Very high	96.7	Very high	98 Å²	98	65.9 Å²	65.9	52%	0.524	33%	0.329	S	S	.	.			trans	-122.7	11.3	-179.4	69.1	-27	0	0	0	113.7	P114 K156	P114-D158 HydrophobicContact CG-CB 3.89Å; K156-D158 PolarHBondContact O-N 3.35Å
159	G	94.2	Very high	96.7	Very high	16 Å²	16	68.4 Å²	68.4	17%	0.165	35%	0.347	C	S	.	.	S	Bend	trans	-70.4	176.1	172.1	0	0	0	0	0	114.1	Y157	Y157-G159 VanDerWaalsContact CE1-CA 3.45Å
160	E	94.4	Very high	96.7	Very high	167 Å²	167	66.8 Å²	66.8	78%	0.78	34%	0.337	S	S	*	.	S	Bend	trans	-92.9	-10.1	-170.7	-60.4	-171.8	166.1	0	0	113.5
161	E	96.8	Very high	96.7	Very high	126 Å²	126	65.4 Å²	65.4	59%	0.589	33%	0.326	S	S	*	.			trans	-66.7	131.9	-177.5	-65.7	80.7	173.2	0	0	111.3	Y157	Y157-E161 HydrophobicContact CE1-CB 4.46Å; Y157-E161 PolarHBondContact OH-OE2 3.4Å
162	I	97.6	Very high	96.7	Very high	66 Å²	66	66.8 Å²	66.8	34%	0.338	34%	0.338	S	S	.	.			trans	-121.3	126.9	178.6	-64.2	169.3	0	0	0	108	E164 M198 A202	I162-E164 HydrophobicContact CG2-CG 4.38Å; I162-M198 HydrophobicContact CD1-CB 4.29Å; I162-M198 HydrophobicContact CD1-CE 4.33Å; I162-M198 HydrophobicContact CG1-CB 4.09Å; I162-A202 HydrophobicContact CD1-CB 4.38Å; I162-A202 HydrophobicContact CG2-CB 3.53Å
163	D	97.9	Very high	96.7	Very high	83 Å²	83	69.6 Å²	69.6	44%	0.444	35%	0.352	S	S	.	.			trans	-92.9	102.9	167.7	-178.1	-21.8	0	0	0	108.4	M165 L166 A167 Q199	D163-M165 PolarHBondContact OD1-N 3.33Å; D163-L166 HydrophobicContact CB-CB 3.79Å; D163-L166 HydrophobicContact CB-CD2 4.46Å; D163-L166 PolarHBondContact O-N 2.96Å; D163-L166 PolarHBondContact OD1-N 3.46Å; D163-A167 WeakPolarHBondContact O-CB 3.07Å; D163-A167 PolarHBondContact O-N 3.24Å; D163-Q199 PolarHBondContact O-NE2 3.49Å
164	E	97.9	Very high	96.6	Very high	84 Å²	84	67.6 Å²	67.6	39%	0.393	34%	0.338	S	S	.	.	H	α-helix	trans	-66.7	-33.9	-177.9	-71.8	-67.6	163.7	0	0	113.2	I162 A167 Q168 R206	I162-E164 HydrophobicContact CG2-CG 4.38Å; E164-A167 PolarHBondContact O-N 3.43Å; E164-Q168 PolarHBondContact O-N 3.14Å; E164-R206 IonicContact OE2-CZ 3.79Å; E164-R206 VanDerWaalsContact OE2-CZ 3.24Å; E164-R206 IonicContact OE2-NE 3.87Å; E164-R206 PolarHBondContact OE2-NE 3Å; E164-R206 IonicContact OE2-NH2 3.18Å; E164-R206 PolarHBondContact OE2-NH2 3.1Å
165	M	98.1	Very high	96.7	Very high	155 Å²	155	67.8 Å²	67.8	76%	0.764	34%	0.335	S	S	*	.	H	α-helix	trans	-69.9	-43	177.5	-70.9	-175.3	64.3	0	0	110.4	D163 A167 Q168 S169	D163-M165 PolarHBondContact OD1-N 3.33Å; M165-A167 VanDerWaalsContact C-N 3.34Å; M165-Q168 PolarHBondContact O-N 3.42Å; M165-S169 PolarHBondContact O-N 3.13Å; M165-S169 PolarHBondContact O-OG 3.43Å
166	L	98.2	Very high	96.6	Very high	51 Å²	51	64.6 Å²	64.6	27%	0.267	33%	0.326	S	S	.	.	H	α-helix	trans	-64.4	-39.6	173	-175.9	65.6	0	0	0	111.4	D163 Q168 S169 E170	D163-L166 HydrophobicContact CB-CB 3.79Å; D163-L166 HydrophobicContact CB-CD2 4.46Å; D163-L166 PolarHBondContact O-N 2.96Å; D163-L166 PolarHBondContact OD1-N 3.46Å; L166-Q168 VanDerWaalsContact C-N 3.26Å; L166-Q168 PolarHBondContact O-N 2.88Å; L166-S169 WeakPolarHBondContact CA-OG 3.42Å; L166-S169 PolarHBondContact O-N 3.01Å; L166-S169 PolarHBondContact O-OG 2.89Å; L166-S169 VanDerWaalsContact O-OG 3.08Å; L166-E170 HydrophobicContact CD1-CG 3.86Å; L166-E170 HydrophobicContact CG-CG 4.2Å; L166-E170 WeakPolarHBondContact O-CB 3.17Å; L166-E170 WeakPolarHBondContact O-CG 3.38Å; L166-E170 PolarHBondContact O-N 3.22Å
167	A	98.5	Very high	96.5	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-61	-39.5	178	0	0	0	0	0	111.6	D163 E164 M165 A171 A202 I203 R206	D163-A167 WeakPolarHBondContact O-CB 3.07Å; D163-A167 PolarHBondContact O-N 3.24Å; E164-A167 PolarHBondContact O-N 3.43Å; M165-A167 VanDerWaalsContact C-N 3.34Å; A167-A171 WeakPolarHBondContact O-CB 3.38Å; A167-A171 PolarHBondContact O-N 2.92Å; A167-A202 HydrophobicContact CB-CB 4.01Å; A167-I203 HydrophobicContact CB-CG1 4Å; A167-R206 HydrophobicContact CB-CG 4.17Å
168	Q	98.4	Very high	96.3	Very high	112 Å²	112	58.1 Å²	58.1	52%	0.523	30%	0.301	S	S	.	.	H	α-helix	trans	-68	-45.8	175.6	178.1	167.8	6.2	0	0	112.4	E164 M165 L166 A171 A172 I210	E164-Q168 PolarHBondContact O-N 3.14Å; M165-Q168 PolarHBondContact O-N 3.42Å; L166-Q168 VanDerWaalsContact C-N 3.26Å; L166-Q168 PolarHBondContact O-N 2.88Å; Q168-A171 PolarHBondContact O-N 3.33Å; Q168-A172 PolarHBondContact O-N 3.5Å; Q168-I210 HydrophobicContact CG-CD1 4.06Å
169	S	98.2	Very high	96	Very high	55 Å²	55	57.9 Å²	57.9	39%	0.385	30%	0.299	S	S	.	.	H	α-helix	trans	-67.6	-42.8	-179.4	65.4	0	0	0	0	112.1	M165 L166 A171 A172 I173	M165-S169 PolarHBondContact O-N 3.13Å; M165-S169 PolarHBondContact O-OG 3.43Å; L166-S169 WeakPolarHBondContact CA-OG 3.42Å; L166-S169 PolarHBondContact O-N 3.01Å; L166-S169 PolarHBondContact O-OG 2.89Å; L166-S169 VanDerWaalsContact O-OG 3.08Å; S169-A171 PolarHBondContact O-N 2.87Å; S169-A172 WeakPolarHBondContact O-CB 3.19Å; S169-A172 PolarHBondContact O-N 3.38Å; S169-A172 VanDerWaalsContact O-N 3.17Å; S169-I173 WeakPolarHBondContact O-CG1 3.42Å; S169-I173 PolarHBondContact O-N 3.31Å
170	E	98.3	Very high	95.3	Very high	2 Å²	2	59.8 Å²	59.8	1%	0.009	32%	0.319	C	S	.	.	H	α-helix	trans	-70.3	-31.6	177.3	-67.1	-168.2	137.8	0	0	112.2	L166 A172 I173 L174 R190 V191 R195 I203	L166-E170 HydrophobicContact CD1-CG 3.86Å; L166-E170 HydrophobicContact CG-CG 4.2Å; L166-E170 WeakPolarHBondContact O-CB 3.17Å; L166-E170 WeakPolarHBondContact O-CG 3.38Å; L166-E170 PolarHBondContact O-N 3.22Å; E170-A172 VanDerWaalsContact C-N 3.26Å; E170-A172 PolarHBondContact O-N 2.61Å; E170-I173 PolarHBondContact O-N 3.44Å; E170-L174 VanDerWaalsContact O-CG 3.27Å; E170-L174 WeakPolarHBondContact O-CG 3.49Å; E170-L174 PolarHBondContact O-N 2.81Å; E170-R190 IonicContact OE1-CZ 3.33Å; E170-R190 IonicContact OE1-NH1 3.7Å; E170-R190 PolarHBondContact OE1-NH1 3.13Å; E170-R190 VanDerWaalsContact OE1-NH1 3.08Å; E170-R190 IonicContact OE1-NH2 3.98Å; E170-R190 PolarHBondContact OE1-NH2 2.98Å; E170-V191 HydrophobicContact CB-CG2 4.3Å; E170-V191 HydrophobicContact CG-CG2 4.28Å; E170-R195 VanDerWaalsContact CD-NE 3.3Å; E170-R195 IonicContact OE1-CZ 3.43Å; E170-R195 IonicContact OE1-NE 2.89Å; E170-R195 PolarHBondContact OE1-NE 2.91Å; E170-R195 IonicContact OE1-NH2 2.8Å; E170-R195 PolarHBondContact OE1-NH2 3.25Å; E170-R195 IonicContact OE2-CZ 3.92Å; E170-R195 IonicContact OE2-NE 2.86Å; E170-R195 PolarHBondContact OE2-NE 3.48Å; E170-R195 IonicContact OE2-NH2 3.17Å; E170-I203 HydrophobicContact CB-CD1 4.1Å; E170-I203 HydrophobicContact CB-CG1 4.27Å; E170-I203 WeakPolarHBondContact OE2-CD1 3.47Å
171	A	98.3	Very high	94.4	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-59.6	-38.2	170.2	0	0	0	0	0	112.2	A167 Q168 S169 H175 I203 R206 Y207	A167-A171 WeakPolarHBondContact O-CB 3.38Å; A167-A171 PolarHBondContact O-N 2.92Å; Q168-A171 PolarHBondContact O-N 3.33Å; S169-A171 PolarHBondContact O-N 2.87Å; A171-H175 WeakPolarHBondContact O-CB 3.25Å; A171-H175 PolarHBondContact O-N 2.73Å; A171-H175 VanDerWaalsContact O-N 3.11Å; A171-I203 HydrophobicContact CB-CG2 4.25Å; A171-R206 HydrophobicContact CB-CB 4.06Å; A171-Y207 WeakPolarHBondContact O-CD2 3.39Å
172	A	96.8	Very high	93.4	Very high	31 Å²	31	54.6 Å²	54.6	26%	0.256	30%	0.3	S	S	.	.	H	α-helix	trans	-69.6	-42.5	176.3	0	0	0	0	0	112.6	Q168 S169 E170 L174 H175 D176 Y211	Q168-A172 PolarHBondContact O-N 3.5Å; S169-A172 WeakPolarHBondContact O-CB 3.19Å; S169-A172 PolarHBondContact O-N 3.38Å; S169-A172 VanDerWaalsContact O-N 3.17Å; E170-A172 VanDerWaalsContact C-N 3.26Å; E170-A172 PolarHBondContact O-N 2.61Å; A172-L174 PolarHBondContact O-N 3.13Å; A172-H175 PolarHBondContact O-N 3.31Å; A172-D176 PolarHBondContact O-N 2.89Å; A172-Y211 VanDerWaalsContact CA-OH 3.29Å; A172-Y211 WeakPolarHBondContact CA-OH 3.1Å; A172-Y211 WeakPolarHBondContact CB-OH 3.21Å
173	I	96.3	Very high	92.2	Very high	60 Å²	60	58.9 Å²	58.9	31%	0.308	33%	0.329	S	S	.	.	H	α-helix	trans	-57.7	-49.4	174.5	-66.4	168.4	0	0	0	110.6	S169 E170 H175 D176 E177 E187	S169-I173 WeakPolarHBondContact O-CG1 3.42Å; S169-I173 PolarHBondContact O-N 3.31Å; E170-I173 PolarHBondContact O-N 3.44Å; I173-H175 VanDerWaalsContact C-N 3.27Å; I173-H175 PolarHBondContact O-N 3.16Å; I173-D176 PolarHBondContact O-N 3.43Å; I173-E177 PolarHBondContact O-N 2.93Å; I173-E187 HydrophobicContact CG2-CB 3.53Å; I173-E187 HydrophobicContact CG2-CG 3.82Å
174	L	96.7	Very high	91.5	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-60.6	-37.1	178.3	-68.1	-176.8	0	0	0	112.2	E170 A172 I178 T188 V191 I203 F204 Y207 I215	E170-L174 VanDerWaalsContact O-CG 3.27Å; E170-L174 WeakPolarHBondContact O-CG 3.49Å; E170-L174 PolarHBondContact O-N 2.81Å; A172-L174 PolarHBondContact O-N 3.13Å; L174-I178 WeakPolarHBondContact O-CB 3.47Å; L174-I178 WeakPolarHBondContact O-CD1 3.47Å; L174-I178 WeakPolarHBondContact O-CG1 3.3Å; L174-I178 PolarHBondContact O-N 3.41Å; L174-T188 HydrophobicContact CD2-CG2 4.16Å; L174-V191 HydrophobicContact CD1-CG1 4.26Å; L174-V191 HydrophobicContact CD2-CB 4.23Å; L174-V191 HydrophobicContact CD2-CG1 4.46Å; L174-V191 HydrophobicContact CD2-CG2 4.31Å; L174-I203 HydrophobicContact CD1-CG2 3.61Å; L174-F204 HydrophobicContact CD1-CE1 4.31Å; L174-Y207 HydrophobicContact CB-CD2 4.31Å; L174-Y207 HydrophobicContact CB-CE2 4.29Å; L174-I215 HydrophobicContact CB-CD1 4.29Å; L174-I215 HydrophobicContact CD1-CD1 3.88Å
175	H	95.2	Very high	91.2	Very high	29 Å²	29	55.9 Å²	55.9	13%	0.134	31%	0.314	C	S	.	.	H	α-helix	trans	-67.3	-45.5	178.2	176.5	-88.8	0	0	0	111.8	A171 A172 I173 I178 L179 Y207 Y211	A171-H175 WeakPolarHBondContact O-CB 3.25Å; A171-H175 PolarHBondContact O-N 2.73Å; A171-H175 VanDerWaalsContact O-N 3.11Å; A172-H175 PolarHBondContact O-N 3.31Å; I173-H175 VanDerWaalsContact C-N 3.27Å; I173-H175 PolarHBondContact O-N 3.16Å; H175-I178 PolarHBondContact O-N 2.92Å; H175-L179 WeakPolarHBondContact CE1-CD1 3.2Å; H175-L179 WeakPolarHBondContact O-CG 3.42Å; H175-L179 PolarHBondContact O-N 3Å; H175-Y207 HydrophobicContact CB-CD2 4.24Å; H175-Y207 HydrophobicContact CB-CE2 3.56Å; H175-Y207 AromaticContact CD2-CZ 3.8Å; H175-Y207 PolarHBondContact CD2-OH 2.77Å; H175-Y211 HydrophobicContact CB-CD2 3.88Å; H175-Y211 HydrophobicContact CB-CE1 4.27Å; H175-Y211 HydrophobicContact CB-CE2 3.33Å; H175-Y211 AromaticContact CD2-CD1 3.48Å; H175-Y211 VanDerWaalsContact CD2-CD1 3.48Å; H175-Y211 WeakPolarHBondContact CD2-CD1 3.32Å; H175-Y211 AromaticContact CD2-CD2 3.46Å; H175-Y211 VanDerWaalsContact CD2-CD2 3.46Å; H175-Y211 WeakPolarHBondContact CD2-CD2 3.47Å; H175-Y211 AromaticContact CD2-CE1 3.72Å; H175-Y211 AromaticContact CD2-CE2 3.73Å; H175-Y211 AromaticContact CD2-CG 3.35Å; H175-Y211 AromaticContact CD2-CZ 3.85Å; H175-Y211 AromaticContact CE1-CD1 3.71Å; H175-Y211 AromaticContact CE1-CE1 3.59Å; H175-Y211 AromaticContact CG-CD1 3.88Å; H175-Y211 AromaticContact CG-CD2 3.75Å; H175-Y211 AromaticContact CG-CE1 3.61Å; H175-Y211 AromaticContact CG-CE2 3.49Å; H175-Y211 VanDerWaalsContact CG-CE2 3.49Å; H175-Y211 AromaticContact CG-CG 3.96Å; H175-Y211 AromaticContact CG-CZ 3.41Å; H175-Y211 VanDerWaalsContact CG-CZ 3.41Å; H175-Y211 AromaticContact ND1-CE1 3.54Å; H175-Y211 AromaticContact ND1-CZ 3.66Å; H175-Y211 AromaticContact NE2-CD1 3.38Å; H175-Y211 WeakPolarHBondContact NE2-CD1 3.34Å; H175-Y211 AromaticContact NE2-CE1 3.73Å; H175-Y211 AromaticContact NE2-CG 3.67Å
176	D	94	Very high	91	Very high	64 Å²	64	54.1 Å²	54.1	34%	0.342	30%	0.303	S	S	.	.	H	α-helix	trans	-64.6	-41.6	178.7	-78.2	-18.5	0	0	0	112.3	A172 I173 L179 K181	A172-D176 PolarHBondContact O-N 2.89Å; I173-D176 PolarHBondContact O-N 3.43Å; D176-L179 PolarHBondContact O-N 3.26Å; D176-K181 HydrophobicContact CB-CD 4.03Å; D176-K181 VanDerWaalsContact O-CB 3.28Å; D176-K181 WeakPolarHBondContact O-CB 3.35Å; D176-K181 PolarHBondContact O-N 3.14Å; D176-K181 VanDerWaalsContact O-N 3.12Å; D176-K181 IonicContact OD1-NZ 2.77Å; D176-K181 PolarHBondContact OD1-NZ 2.8Å
177	E	93.5	Very high	90.9	Very high	12 Å²	12	54.2 Å²	54.2	6%	0.056	30%	0.303	C	S	.	.	H	α-helix	trans	-65.2	-43.8	176.3	-176.8	164.7	111.8	0	0	112	I173 L179 G180 A182 H185 E187 T188	I173-E177 PolarHBondContact O-N 2.93Å; E177-L179 VanDerWaalsContact C-N 3.35Å; E177-L179 PolarHBondContact O-N 3.36Å; E177-G180 PolarHBondContact O-N 3.08Å; E177-A182 HydrophobicContact CB-CB 4.11Å; E177-A182 HydrophobicContact CG-CB 3.79Å; E177-H185 WeakPolarHBondContact OE1-CA 3.19Å; E177-E187 VanDerWaalsContact OE2-CB 3.3Å; E177-E187 WeakPolarHBondContact OE2-CB 3.36Å; E177-E187 PolarHBondContact OE2-N 2.9Å; E177-E187 VanDerWaalsContact OE2-N 3.11Å; E177-T188 WeakPolarHBondContact OE1-CA 3.45Å; E177-T188 WeakPolarHBondContact OE1-CB 3.22Å; E177-T188 PolarHBondContact OE1-N 3.48Å; E177-T188 PolarHBondContact OE1-OG1 3.37Å
178	I	90.3	Very high	90.8	Very high	10 Å²	10	54.2 Å²	54.2	5%	0.051	30%	0.303	C	S	.	.	H	α-helix	trans	-64.2	-38.7	179	-73.4	169	0	0	0	111.8	L174 H175 G180 Y207 I215 D218 L219 H222	L174-I178 WeakPolarHBondContact O-CB 3.47Å; L174-I178 WeakPolarHBondContact O-CD1 3.47Å; L174-I178 WeakPolarHBondContact O-CG1 3.3Å; L174-I178 PolarHBondContact O-N 3.41Å; H175-I178 PolarHBondContact O-N 2.92Å; I178-G180 PolarHBondContact O-N 3.05Å; I178-Y207 HydrophobicContact CD1-CE2 4.48Å; I178-I215 HydrophobicContact CD1-CD1 3.64Å; I178-I215 HydrophobicContact CD1-CG1 3.3Å; I178-D218 HydrophobicContact CG2-CB 4.15Å; I178-L219 HydrophobicContact CD1-CD2 3.91Å; I178-L219 HydrophobicContact CD1-CG 4.12Å; I178-L219 HydrophobicContact CG1-CD2 3.92Å; I178-L219 HydrophobicContact CG2-CD2 4.22Å; I178-H222 PolarHBondContact O-CE1 2.93Å; I178-H222 PolarHBondContact O-NE2 3.47Å
179	L	87	Confident	90.7	Very high	92 Å²	92	49.6 Å²	49.6	48%	0.482	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	2.1	175.5	-69.1	-174.2	0	0	0	113.9	H175 D176 E177	H175-L179 WeakPolarHBondContact CE1-CD1 3.2Å; H175-L179 WeakPolarHBondContact O-CG 3.42Å; H175-L179 PolarHBondContact O-N 3Å; D176-L179 PolarHBondContact O-N 3.26Å; E177-L179 VanDerWaalsContact C-N 3.35Å; E177-L179 PolarHBondContact O-N 3.36Å
180	G	80	Confident	90.6	Very high	56 Å²	56	50.1 Å²	50.1	58%	0.577	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	79	23.4	176.9	0	0	0	0	0	113.4	E177 I178 A182	E177-G180 PolarHBondContact O-N 3.08Å; I178-G180 PolarHBondContact O-N 3.05Å; G180-A182 VanDerWaalsContact C-N 3.3Å
181	K	75.1	Confident	90.6	Very high	143 Å²	143	50 Å²	50	62%	0.622	28%	0.275	S	S	*	.			trans	-78.5	-17.1	172.8	-59.1	-179.1	-176.8	169.8	0	112.7	D176	D176-K181 HydrophobicContact CB-CD 4.03Å; D176-K181 VanDerWaalsContact O-CB 3.28Å; D176-K181 WeakPolarHBondContact O-CB 3.35Å; D176-K181 PolarHBondContact O-N 3.14Å; D176-K181 VanDerWaalsContact O-N 3.12Å; D176-K181 IonicContact OD1-NZ 2.77Å; D176-K181 PolarHBondContact OD1-NZ 2.8Å
182	A	74.5	Confident	90.6	Very high	42 Å²	42	50 Å²	50	35%	0.347	28%	0.275	S	S	.	.	S	Bend	trans	-94	155.3	176.7	0	0	0	0	0	111.6	E177 G180 D184	E177-A182 HydrophobicContact CB-CB 4.11Å; E177-A182 HydrophobicContact CG-CB 3.79Å; G180-A182 VanDerWaalsContact C-N 3.3Å; A182-D184 WeakPolarHBondContact CB-O 3.4Å
183	V	73.3	Confident	90.5	Very high	156 Å²	156	49.3 Å²	49.3	95%	0.945	27%	0.267	S	S	*	.	S	Bend	trans	-74.9	-30.2	179	179.5	0	0	0	0	111.4
184	D	82.9	Confident	90.6	Very high	54 Å²	54	49.4 Å²	49.4	29%	0.289	27%	0.271	S	S	.	.	S	Bend	trans	-146.6	-171.2	178	78.3	-9.9	0	0	0	111.7	R146 A182 E186	R146-D184 IonicContact CZ-OD2 3.78Å; R146-D184 IonicContact NH1-OD2 3.53Å; R146-D184 PolarHBondContact NH1-OD2 3.17Å; R146-D184 IonicContact NH2-OD2 3.76Å; R146-D184 PolarHBondContact NH2-OD2 3.31Å; A182-D184 WeakPolarHBondContact CB-O 3.4Å; D184-E186 WeakPolarHBondContact OD1-CB 3.36Å; D184-E186 PolarHBondContact OD1-N 3.47Å
185	H	91.4	Very high	90.6	Very high	49 Å²	49	52.3 Å²	52.3	23%	0.227	28%	0.282	C	S	.	.	S	Bend	trans	-102.2	28.2	-176.2	-61.2	-53.2	0	0	0	114	D143 E177 I189 Y227	D143-H185 IonicContact OD2-CD2 2.71Å; D143-H185 PolarHBondContact OD2-CD2 2.93Å; E177-H185 WeakPolarHBondContact OE1-CA 3.19Å; H185-I189 HydrophobicContact CB-CD1 4.46Å; H185-I189 WeakPolarHBondContact O-CD1 3.18Å; H185-I189 VanDerWaalsContact O-CG1 3.25Å; H185-I189 WeakPolarHBondContact O-CG1 3.36Å; H185-I189 PolarHBondContact O-N 2.89Å; H185-Y227 HydrophobicContact CB-CE1 3.96Å; H185-Y227 VanDerWaalsContact CB-OH 3.28Å; H185-Y227 WeakPolarHBondContact CB-OH 3.4Å; H185-Y227 AromaticContact CD2-CD1 3.68Å; H185-Y227 AromaticContact CD2-CE1 3.24Å; H185-Y227 WeakPolarHBondContact CD2-CE1 3.45Å; H185-Y227 AromaticContact CD2-CZ 3.87Å; H185-Y227 AromaticContact CG-CE1 3.51Å; H185-Y227 AromaticContact CG-CZ 3.8Å; H185-Y227 AromaticContact NE2-CD1 3.98Å; H185-Y227 AromaticContact NE2-CE1 3.68Å
186	E	94	Very high	90.6	Very high	118 Å²	118	51.3 Å²	51.3	55%	0.551	28%	0.278	S	S	*	.	H	α-helix	trans	-61.9	-47.4	-173.5	-175.8	176.2	178.3	0	0	112.5	D184 T188 I189 R190	D184-E186 WeakPolarHBondContact OD1-CB 3.36Å; D184-E186 PolarHBondContact OD1-N 3.47Å; E186-T188 PolarHBondContact O-N 3.31Å; E186-I189 PolarHBondContact O-N 3.28Å; E186-R190 WeakPolarHBondContact O-CB 3.35Å; E186-R190 PolarHBondContact O-N 2.96Å
187	E	95.5	Very high	90.7	Very high	53 Å²	53	51.3 Å²	51.3	25%	0.248	28%	0.283	C	S	.	.	H	α-helix	trans	-71.2	-37	-174.7	-71.7	-68.1	102.4	0	0	111.6	I173 E177 I189 R190 V191	I173-E187 HydrophobicContact CG2-CB 3.53Å; I173-E187 HydrophobicContact CG2-CG 3.82Å; E177-E187 VanDerWaalsContact OE2-CB 3.3Å; E177-E187 WeakPolarHBondContact OE2-CB 3.36Å; E177-E187 PolarHBondContact OE2-N 2.9Å; E177-E187 VanDerWaalsContact OE2-N 3.11Å; E187-I189 VanDerWaalsContact C-N 3.3Å; E187-I189 PolarHBondContact O-N 3.47Å; E187-R190 VanDerWaalsContact CD-NE 3.3Å; E187-R190 PolarHBondContact O-N 3.26Å; E187-R190 WeakPolarHBondContact OE1-CD 3.27Å; E187-R190 IonicContact OE1-CZ 3.08Å; E187-R190 IonicContact OE1-NE 2.89Å; E187-R190 PolarHBondContact OE1-NE 2.89Å; E187-R190 IonicContact OE2-CZ 2.66Å; E187-R190 VanDerWaalsContact OE2-CZ 3.26Å; E187-R190 IonicContact OE2-NE 3.06Å; E187-R190 PolarHBondContact OE2-NE 2.71Å; E187-R190 IonicContact OE2-NH2 3.56Å; E187-R190 PolarHBondContact OE2-NH2 2.88Å; E187-V191 WeakPolarHBondContact O-CB 3.33Å; E187-V191 VanDerWaalsContact O-CG2 3.23Å; E187-V191 WeakPolarHBondContact O-CG2 3.49Å; E187-V191 PolarHBondContact O-N 2.96Å
188	T	96.4	Very high	90.8	Very high	1 Å²	1	55 Å²	55	1%	0.006	30%	0.301	C	S	.	.	H	α-helix	trans	-59.6	-43.7	173.5	-62	0	0	0	0	111.1	L174 E177 E186 L192 L231	L174-T188 HydrophobicContact CD2-CG2 4.16Å; E177-T188 WeakPolarHBondContact OE1-CA 3.45Å; E177-T188 WeakPolarHBondContact OE1-CB 3.22Å; E177-T188 PolarHBondContact OE1-N 3.48Å; E177-T188 PolarHBondContact OE1-OG1 3.37Å; E186-T188 PolarHBondContact O-N 3.31Å; T188-L192 HydrophobicContact CG2-CD2 4.13Å; T188-L192 WeakPolarHBondContact O-CB 3.44Å; T188-L192 PolarHBondContact O-N 3.42Å; T188-L192 VanDerWaalsContact O-N 3.09Å; T188-L231 HydrophobicContact CG2-CD1 3.58Å; T188-L231 HydrophobicContact CG2-CD2 3.86Å; T188-L231 HydrophobicContact CG2-CG 4.38Å
189	I	97	Very high	91.1	Very high	14 Å²	14	55 Å²	55	7%	0.072	30%	0.301	C	S	.	.	H	α-helix	trans	-67.8	-44.3	178.5	-66.7	169	0	0	0	110.4	R146 L147 A150 H185 E186 E187 V191 L192 S193 Y227	R146-I189 HydrophobicContact CB-CD1 3.68Å; L147-I189 HydrophobicContact CB-CD1 4.43Å; L147-I189 HydrophobicContact CB-CG1 4.29Å; L147-I189 HydrophobicContact CD1-CG1 4.15Å; A150-I189 HydrophobicContact CB-CG2 3.93Å; H185-I189 HydrophobicContact CB-CD1 4.46Å; H185-I189 WeakPolarHBondContact O-CD1 3.18Å; H185-I189 VanDerWaalsContact O-CG1 3.25Å; H185-I189 WeakPolarHBondContact O-CG1 3.36Å; H185-I189 PolarHBondContact O-N 2.89Å; E186-I189 PolarHBondContact O-N 3.28Å; E187-I189 VanDerWaalsContact C-N 3.3Å; E187-I189 PolarHBondContact O-N 3.47Å; I189-V191 PolarHBondContact O-N 3.09Å; I189-L192 PolarHBondContact O-N 3.32Å; I189-S193 VanDerWaalsContact O-CB 3.26Å; I189-S193 WeakPolarHBondContact O-CB 3.18Å; I189-S193 PolarHBondContact O-N 3.03Å; I189-S193 PolarHBondContact O-OG 3.43Å; I189-Y227 HydrophobicContact CD1-CE2 4.14Å; I189-Y227 HydrophobicContact CG1-CE2 4.21Å
190	R	97.2	Very high	91.7	Very high	67 Å²	67	50.7 Å²	50.7	25%	0.253	28%	0.279	S	S	.	.	H	α-helix	trans	-57.7	-49.9	177	-173.5	-167.8	62.9	65.4	-3.8	111.2	E170 E186 E187 S193 T194	E170-R190 IonicContact OE1-CZ 3.33Å; E170-R190 IonicContact OE1-NH1 3.7Å; E170-R190 PolarHBondContact OE1-NH1 3.13Å; E170-R190 VanDerWaalsContact OE1-NH1 3.08Å; E170-R190 IonicContact OE1-NH2 3.98Å; E170-R190 PolarHBondContact OE1-NH2 2.98Å; E186-R190 WeakPolarHBondContact O-CB 3.35Å; E186-R190 PolarHBondContact O-N 2.96Å; E187-R190 VanDerWaalsContact CD-NE 3.3Å; E187-R190 PolarHBondContact O-N 3.26Å; E187-R190 WeakPolarHBondContact OE1-CD 3.27Å; E187-R190 IonicContact OE1-CZ 3.08Å; E187-R190 IonicContact OE1-NE 2.89Å; E187-R190 PolarHBondContact OE1-NE 2.89Å; E187-R190 IonicContact OE2-CZ 2.66Å; E187-R190 VanDerWaalsContact OE2-CZ 3.26Å; E187-R190 IonicContact OE2-NE 3.06Å; E187-R190 PolarHBondContact OE2-NE 2.71Å; E187-R190 IonicContact OE2-NH2 3.56Å; E187-R190 PolarHBondContact OE2-NH2 2.88Å; R190-S193 PolarHBondContact O-N 2.93Å; R190-S193 PolarHBondContact O-OG 3.16Å; R190-T194 HydrophobicContact CG-CG2 4.45Å; R190-T194 WeakPolarHBondContact O-CB 3.35Å; R190-T194 VanDerWaalsContact O-CG2 3.29Å; R190-T194 WeakPolarHBondContact O-CG2 3.34Å; R190-T194 PolarHBondContact O-N 2.94Å; R190-T194 PolarHBondContact O-OG1 2.98Å
191	V	97.7	Very high	92.5	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-60.6	-51.6	-179.8	172	0	0	0	0	110.3	E170 L174 E187 I189 S193 T194 R195 L200 I203	E170-V191 HydrophobicContact CB-CG2 4.3Å; E170-V191 HydrophobicContact CG-CG2 4.28Å; L174-V191 HydrophobicContact CD1-CG1 4.26Å; L174-V191 HydrophobicContact CD2-CB 4.23Å; L174-V191 HydrophobicContact CD2-CG1 4.46Å; L174-V191 HydrophobicContact CD2-CG2 4.31Å; E187-V191 WeakPolarHBondContact O-CB 3.33Å; E187-V191 VanDerWaalsContact O-CG2 3.23Å; E187-V191 WeakPolarHBondContact O-CG2 3.49Å; E187-V191 PolarHBondContact O-N 2.96Å; I189-V191 PolarHBondContact O-N 3.09Å; V191-S193 VanDerWaalsContact C-N 3.31Å; V191-S193 PolarHBondContact O-N 2.95Å; V191-T194 PolarHBondContact O-N 3.48Å; V191-R195 HydrophobicContact CG1-CG 4.07Å; V191-R195 WeakPolarHBondContact O-CB 3.43Å; V191-R195 VanDerWaalsContact O-CG 3.23Å; V191-R195 WeakPolarHBondContact O-CG 3.32Å; V191-R195 PolarHBondContact O-N 2.9Å; V191-R195 VanDerWaalsContact O-N 3.09Å; V191-L200 HydrophobicContact CG1-CD2 3.84Å; V191-I203 HydrophobicContact CG1-CD1 3.86Å
192	L	97.2	Very high	93.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-66.9	-29.5	-177.3	-89.2	46.5	0	0	0	114	L147 K156 T188 I189 L200 F204 L231 I235	L147-L192 HydrophobicContact CD1-CD2 4.48Å; K156-L192 PolarHBondContact NZ-O 3.42Å; T188-L192 HydrophobicContact CG2-CD2 4.13Å; T188-L192 WeakPolarHBondContact O-CB 3.44Å; T188-L192 PolarHBondContact O-N 3.42Å; T188-L192 VanDerWaalsContact O-N 3.09Å; I189-L192 PolarHBondContact O-N 3.32Å; L192-L200 HydrophobicContact CD1-CD2 3.91Å; L192-F204 HydrophobicContact CD1-CE1 4.21Å; L192-F204 HydrophobicContact CD1-CZ 4.07Å; L192-L231 HydrophobicContact CD2-CD1 3.13Å; L192-I235 HydrophobicContact CD2-CG1 4.46Å
193	S	96.4	Very high	94.7	Very high	15 Å²	15	41.1 Å²	41.1	11%	0.105	22%	0.219	C	C	.	.	H	α-helix	trans	-87.4	-20.8	-179.7	59.7	0	0	0	0	113.8	A154 K156 I189 R190 V191	A154-S193 WeakPolarHBondContact CB-O 3.29Å; K156-S193 WeakPolarHBondContact CE-O 3.43Å; K156-S193 WeakPolarHBondContact CG-O 3.43Å; I189-S193 VanDerWaalsContact O-CB 3.26Å; I189-S193 WeakPolarHBondContact O-CB 3.18Å; I189-S193 PolarHBondContact O-N 3.03Å; I189-S193 PolarHBondContact O-OG 3.43Å; R190-S193 PolarHBondContact O-N 2.93Å; R190-S193 PolarHBondContact O-OG 3.16Å; V191-S193 VanDerWaalsContact C-N 3.31Å; V191-S193 PolarHBondContact O-N 2.95Å
194	T	96.6	Very high	95.9	Very high	63 Å²	63	33.7 Å²	33.7	39%	0.387	17%	0.174	S	C	.	.	H	α-helix	trans	-110.5	-23.2	-174	62.2	0	0	0	0	115	R190 V191	R190-T194 HydrophobicContact CG-CG2 4.45Å; R190-T194 WeakPolarHBondContact O-CB 3.35Å; R190-T194 VanDerWaalsContact O-CG2 3.29Å; R190-T194 WeakPolarHBondContact O-CG2 3.34Å; R190-T194 PolarHBondContact O-N 2.94Å; R190-T194 PolarHBondContact O-OG1 2.98Å; V191-T194 PolarHBondContact O-N 3.48Å
195	R	97.2	Very high	96.6	Very high	61 Å²	61	34.6 Å²	34.6	23%	0.23	18%	0.179	C	C	.	.	S	Bend	trans	-88.1	147.9	-176.4	-56.1	-53.2	175.9	-129.4	15.4	112.3	K156 E170 V191 Q199 L200 I203	K156-R195 WeakPolarHBondContact CD-O 3.43Å; E170-R195 VanDerWaalsContact CD-NE 3.3Å; E170-R195 IonicContact OE1-CZ 3.43Å; E170-R195 IonicContact OE1-NE 2.89Å; E170-R195 PolarHBondContact OE1-NE 2.91Å; E170-R195 IonicContact OE1-NH2 2.8Å; E170-R195 PolarHBondContact OE1-NH2 3.25Å; E170-R195 IonicContact OE2-CZ 3.92Å; E170-R195 IonicContact OE2-NE 2.86Å; E170-R195 PolarHBondContact OE2-NE 3.48Å; E170-R195 IonicContact OE2-NH2 3.17Å; V191-R195 HydrophobicContact CG1-CG 4.07Å; V191-R195 WeakPolarHBondContact O-CB 3.43Å; V191-R195 VanDerWaalsContact O-CG 3.23Å; V191-R195 WeakPolarHBondContact O-CG 3.32Å; V191-R195 PolarHBondContact O-N 2.9Å; V191-R195 VanDerWaalsContact O-N 3.09Å; R195-Q199 HydrophobicContact CB-CB 4.24Å; R195-Q199 HydrophobicContact CB-CG 4.13Å; R195-Q199 HydrophobicContact CG-CG 4.36Å; R195-L200 HydrophobicContact CB-CD1 4.45Å; R195-L200 HydrophobicContact CB-CD2 3.77Å; R195-L200 HydrophobicContact CB-CG 3.74Å; R195-L200 HydrophobicContact CG-CD2 4.4Å; R195-L200 WeakPolarHBondContact O-CD1 3.27Å; R195-I203 HydrophobicContact CG-CD1 4.2Å
196	S	96.4	Very high	96.9	Very high	7 Å²	7	36.6 Å²	36.6	5%	0.049	18%	0.184	C	C	.	.			trans	-63.8	158.7	174.4	73.2	0	0	0	0	111.3	Y157 M198 Q199 L200	Y157-S196 WeakPolarHBondContact O-CA 3.26Å; Y157-S196 WeakPolarHBondContact O-CB 3.17Å; S196-M198 PolarHBondContact O-N 2.93Å; S196-Q199 PolarHBondContact O-N 3.39Å; S196-Q199 WeakPolarHBondContact OG-CB 3.41Å; S196-Q199 PolarHBondContact OG-N 2.86Å; S196-L200 WeakPolarHBondContact O-CB 3.5Å; S196-L200 VanDerWaalsContact O-CG 3.27Å; S196-L200 WeakPolarHBondContact O-CG 3.19Å; S196-L200 PolarHBondContact O-N 3.36Å
197	S	94.5	Very high	97.1	Very high	64 Å²	64	31 Å²	31	45%	0.448	16%	0.158	S	C	.	.	H	α-helix	trans	-59.2	-33.8	176.2	-64	0	0	0	0	112.6	S201	S197-S201 WeakPolarHBondContact O-CB 3.37Å; S197-S201 PolarHBondContact O-N 3.44Å; S197-S201 PolarHBondContact O-OG 3.45Å
198	M	95.9	Very high	97.2	Very high	90 Å²	90	33.6 Å²	33.6	44%	0.443	17%	0.169	S	C	.	.	H	α-helix	trans	-69	-49.4	176.1	-65.7	-58.9	-74	0	0	111.2	I162 S196 L200 S201 A202	I162-M198 HydrophobicContact CD1-CB 4.29Å; I162-M198 HydrophobicContact CD1-CE 4.33Å; I162-M198 HydrophobicContact CG1-CB 4.09Å; S196-M198 PolarHBondContact O-N 2.93Å; M198-L200 PolarHBondContact O-N 2.94Å; M198-S201 WeakPolarHBondContact O-CB 3.43Å; M198-S201 PolarHBondContact O-N 3.06Å; M198-A202 PolarHBondContact O-N 3.03Å
199	Q	98	Very high	97.3	Very high	10 Å²	10	38.9 Å²	38.9	5%	0.047	20%	0.197	C	C	.	.	H	α-helix	trans	-60.8	-43.7	176.4	-174.8	65	16.9	0	0	111.8	D163 R195 S196 S201 A202 I203	D163-Q199 PolarHBondContact O-NE2 3.49Å; R195-Q199 HydrophobicContact CB-CB 4.24Å; R195-Q199 HydrophobicContact CB-CG 4.13Å; R195-Q199 HydrophobicContact CG-CG 4.36Å; S196-Q199 PolarHBondContact O-N 3.39Å; S196-Q199 WeakPolarHBondContact OG-CB 3.41Å; S196-Q199 PolarHBondContact OG-N 2.86Å; Q199-S201 VanDerWaalsContact C-N 3.31Å; Q199-S201 PolarHBondContact O-N 2.97Å; Q199-A202 WeakPolarHBondContact O-CB 3.37Å; Q199-A202 PolarHBondContact O-N 3.27Å; Q199-I203 HydrophobicContact CG-CD1 4.02Å; Q199-I203 VanDerWaalsContact O-CG1 3.29Å; Q199-I203 WeakPolarHBondContact O-CG1 3.33Å; Q199-I203 PolarHBondContact O-N 3.26Å
200	L	97.9	Very high	97.3	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-60.6	-41.1	175.8	-72.1	171.3	0	0	0	112	V191 L192 R195 S196 M198 A202 I203 F204 I238	V191-L200 HydrophobicContact CG1-CD2 3.84Å; L192-L200 HydrophobicContact CD1-CD2 3.91Å; R195-L200 HydrophobicContact CB-CD1 4.45Å; R195-L200 HydrophobicContact CB-CD2 3.77Å; R195-L200 HydrophobicContact CB-CG 3.74Å; R195-L200 HydrophobicContact CG-CD2 4.4Å; R195-L200 WeakPolarHBondContact O-CD1 3.27Å; S196-L200 WeakPolarHBondContact O-CB 3.5Å; S196-L200 VanDerWaalsContact O-CG 3.27Å; S196-L200 WeakPolarHBondContact O-CG 3.19Å; S196-L200 PolarHBondContact O-N 3.36Å; M198-L200 PolarHBondContact O-N 2.94Å; L200-A202 VanDerWaalsContact C-N 3.34Å; L200-A202 PolarHBondContact O-N 3.27Å; L200-I203 HydrophobicContact CD2-CD1 4.34Å; L200-I203 PolarHBondContact O-N 3.17Å; L200-F204 HydrophobicContact CB-CE2 4.01Å; L200-F204 HydrophobicContact CB-CZ 4.23Å; L200-F204 HydrophobicContact CD2-CZ 4.25Å; L200-F204 WeakPolarHBondContact O-CD2 3.29Å; L200-F204 WeakPolarHBondContact O-CG 3.41Å; L200-F204 PolarHBondContact O-N 3.18Å; L200-I238 HydrophobicContact CB-CG2 3.82Å; L200-I238 HydrophobicContact CD1-CD1 3.86Å; L200-I238 HydrophobicContact CD1-CG2 4.36Å
201	S	96.9	Very high	97.3	Very high	30 Å²	30	42 Å²	42	21%	0.21	21%	0.213	C	C	.	.	H	α-helix	trans	-63.2	-41.1	175.6	-64.3	0	0	0	0	111.8	S197 M198 Q199 F204 N205	S197-S201 WeakPolarHBondContact O-CB 3.37Å; S197-S201 PolarHBondContact O-N 3.44Å; S197-S201 PolarHBondContact O-OG 3.45Å; M198-S201 WeakPolarHBondContact O-CB 3.43Å; M198-S201 PolarHBondContact O-N 3.06Å; Q199-S201 VanDerWaalsContact C-N 3.31Å; Q199-S201 PolarHBondContact O-N 2.97Å; S201-F204 PolarHBondContact O-N 2.81Å; S201-N205 PolarHBondContact O-N 3.38Å; S201-N205 PolarHBondContact O-ND2 3.41Å
202	A	97.8	Very high	97.2	Very high	10 Å²	10	45.2 Å²	45.2	8%	0.083	25%	0.246	C	C	.	.	H	α-helix	trans	-62.1	-48.2	173.8	0	0	0	0	0	111.6	I162 A167 M198 Q199 L200 F204 N205 R206	I162-A202 HydrophobicContact CD1-CB 4.38Å; I162-A202 HydrophobicContact CG2-CB 3.53Å; A167-A202 HydrophobicContact CB-CB 4.01Å; M198-A202 PolarHBondContact O-N 3.03Å; Q199-A202 WeakPolarHBondContact O-CB 3.37Å; Q199-A202 PolarHBondContact O-N 3.27Å; L200-A202 VanDerWaalsContact C-N 3.34Å; L200-A202 PolarHBondContact O-N 3.27Å; A202-F204 VanDerWaalsContact C-N 3.34Å; A202-F204 PolarHBondContact O-N 3.07Å; A202-N205 PolarHBondContact O-N 2.84Å; A202-N205 VanDerWaalsContact O-N 3.08Å; A202-R206 WeakPolarHBondContact O-CG 3.44Å; A202-R206 PolarHBondContact O-N 3.11Å
203	I	98.6	Very high	97.2	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-54	-49.2	175.3	-68.9	160.8	0	0	0	110.8	A167 E170 A171 L174 V191 R195 Q199 L200 N205 R206 Y207	A167-I203 HydrophobicContact CB-CG1 4Å; E170-I203 HydrophobicContact CB-CD1 4.1Å; E170-I203 HydrophobicContact CB-CG1 4.27Å; E170-I203 WeakPolarHBondContact OE2-CD1 3.47Å; A171-I203 HydrophobicContact CB-CG2 4.25Å; L174-I203 HydrophobicContact CD1-CG2 3.61Å; V191-I203 HydrophobicContact CG1-CD1 3.86Å; R195-I203 HydrophobicContact CG-CD1 4.2Å; Q199-I203 HydrophobicContact CG-CD1 4.02Å; Q199-I203 VanDerWaalsContact O-CG1 3.29Å; Q199-I203 WeakPolarHBondContact O-CG1 3.33Å; Q199-I203 PolarHBondContact O-N 3.26Å; L200-I203 HydrophobicContact CD2-CD1 4.34Å; L200-I203 PolarHBondContact O-N 3.17Å; I203-N205 VanDerWaalsContact C-N 3.27Å; I203-N205 PolarHBondContact O-N 3.39Å; I203-R206 PolarHBondContact O-N 3.45Å; I203-Y207 WeakPolarHBondContact O-CB 3.48Å; I203-Y207 PolarHBondContact O-N 2.9Å
204	F	98.2	Very high	97.2	Very high	1 Å²	1	47.2 Å²	47.2	0%	0.004	26%	0.259	C	S	.	.	H	α-helix	trans	-68.1	-25.1	-179.4	-57.4	-33.1	0	0	0	113.9	L174 L192 L200 S201 A202 K208 I215 I235 I238	L174-F204 HydrophobicContact CD1-CE1 4.31Å; L192-F204 HydrophobicContact CD1-CE1 4.21Å; L192-F204 HydrophobicContact CD1-CZ 4.07Å; L200-F204 HydrophobicContact CB-CE2 4.01Å; L200-F204 HydrophobicContact CB-CZ 4.23Å; L200-F204 HydrophobicContact CD2-CZ 4.25Å; L200-F204 WeakPolarHBondContact O-CD2 3.29Å; L200-F204 WeakPolarHBondContact O-CG 3.41Å; L200-F204 PolarHBondContact O-N 3.18Å; S201-F204 PolarHBondContact O-N 2.81Å; A202-F204 VanDerWaalsContact C-N 3.34Å; A202-F204 PolarHBondContact O-N 3.07Å; F204-K208 PolarHBondContact O-N 3.43Å; F204-I215 HydrophobicContact CD1-CD1 4.22Å; F204-I215 HydrophobicContact CD1-CG2 3.98Å; F204-I215 HydrophobicContact CE1-CD1 4.16Å; F204-I215 HydrophobicContact CG-CG2 4.42Å; F204-I235 HydrophobicContact CD1-CG2 4.29Å; F204-I235 HydrophobicContact CD2-CG2 3.92Å; F204-I235 HydrophobicContact CE1-CG1 4.08Å; F204-I235 HydrophobicContact CE1-CG2 4.18Å; F204-I235 HydrophobicContact CE2-CB 4.36Å; F204-I235 HydrophobicContact CE2-CG1 4.41Å; F204-I235 HydrophobicContact CE2-CG2 3.81Å; F204-I235 HydrophobicContact CG-CG2 4.17Å; F204-I235 HydrophobicContact CZ-CB 4.26Å; F204-I235 HydrophobicContact CZ-CG1 3.82Å; F204-I235 HydrophobicContact CZ-CG2 3.95Å; F204-I238 HydrophobicContact CE2-CB 4.2Å; F204-I238 HydrophobicContact CE2-CD1 4.41Å; F204-I238 HydrophobicContact CE2-CG2 3.92Å
205	N	97.5	Very high	97.1	Very high	73 Å²	73	44.3 Å²	44.3	39%	0.39	24%	0.241	S	C	.	.	H	α-helix	trans	-78	-46.6	173.6	-69.6	-22.7	0	0	0	110.5	S201 A202 I203 Y207 K208 D209 K239	S201-N205 PolarHBondContact O-N 3.38Å; S201-N205 PolarHBondContact O-ND2 3.41Å; A202-N205 PolarHBondContact O-N 2.84Å; A202-N205 VanDerWaalsContact O-N 3.08Å; I203-N205 VanDerWaalsContact C-N 3.27Å; I203-N205 PolarHBondContact O-N 3.39Å; N205-Y207 VanDerWaalsContact C-N 3.32Å; N205-Y207 PolarHBondContact O-N 3.3Å; N205-K208 WeakPolarHBondContact O-CA 3.48Å; N205-K208 WeakPolarHBondContact O-CB 3.36Å; N205-K208 PolarHBondContact O-N 2.95Å; N205-D209 VanDerWaalsContact O-CG 3.25Å; N205-D209 PolarHBondContact O-N 3.31Å; N205-K239 PolarHBondContact OD1-NZ 3.38Å
206	R	98.1	Very high	97	Very high	90 Å²	90	42.5 Å²	42.5	34%	0.34	24%	0.237	S	C	.	.	H	α-helix	trans	-57.5	-43	173.6	-68.9	-60.3	-178.4	-173.1	1.6	112.5	E164 A167 A171 A202 I203 K208 D209 I210	E164-R206 IonicContact OE2-CZ 3.79Å; E164-R206 VanDerWaalsContact OE2-CZ 3.24Å; E164-R206 IonicContact OE2-NE 3.87Å; E164-R206 PolarHBondContact OE2-NE 3Å; E164-R206 IonicContact OE2-NH2 3.18Å; E164-R206 PolarHBondContact OE2-NH2 3.1Å; A167-R206 HydrophobicContact CB-CG 4.17Å; A171-R206 HydrophobicContact CB-CB 4.06Å; A202-R206 WeakPolarHBondContact O-CG 3.44Å; A202-R206 PolarHBondContact O-N 3.11Å; I203-R206 PolarHBondContact O-N 3.45Å; R206-K208 VanDerWaalsContact C-N 3.26Å; R206-K208 PolarHBondContact O-N 3.41Å; R206-D209 PolarHBondContact O-N 3.21Å; R206-D209 VanDerWaalsContact O-N 3.16Å; R206-I210 HydrophobicContact CB-CD1 4.46Å; R206-I210 WeakPolarHBondContact O-CB 3.25Å; R206-I210 WeakPolarHBondContact O-CD1 3.44Å; R206-I210 WeakPolarHBondContact O-CG1 3.43Å; R206-I210 PolarHBondContact O-N 3.42Å
207	Y	98.4	Very high	97	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-51.8	-48.6	171.8	-172.3	-68.4	0	0	0	111	A171 L174 H175 I178 I203 N205 Y211 T213 I215 D218	A171-Y207 WeakPolarHBondContact O-CD2 3.39Å; L174-Y207 HydrophobicContact CB-CD2 4.31Å; L174-Y207 HydrophobicContact CB-CE2 4.29Å; H175-Y207 HydrophobicContact CB-CD2 4.24Å; H175-Y207 HydrophobicContact CB-CE2 3.56Å; H175-Y207 AromaticContact CD2-CZ 3.8Å; H175-Y207 PolarHBondContact CD2-OH 2.77Å; I178-Y207 HydrophobicContact CD1-CE2 4.48Å; I203-Y207 WeakPolarHBondContact O-CB 3.48Å; I203-Y207 PolarHBondContact O-N 2.9Å; N205-Y207 VanDerWaalsContact C-N 3.32Å; N205-Y207 PolarHBondContact O-N 3.3Å; Y207-Y211 HydrophobicContact CD1-CD2 4.07Å; Y207-Y211 HydrophobicContact CD2-CD2 4.33Å; Y207-Y211 HydrophobicContact CE1-CD2 4.16Å; Y207-Y211 HydrophobicContact CE2-CD2 4.48Å; Y207-Y211 HydrophobicContact CG-CD2 4.13Å; Y207-Y211 WeakPolarHBondContact O-CB 3.5Å; Y207-Y211 VanDerWaalsContact O-CD2 3.22Å; Y207-Y211 WeakPolarHBondContact O-CD2 3.45Å; Y207-Y211 PolarHBondContact O-N 2.92Å; Y207-T213 WeakPolarHBondContact CD1-O 3.49Å; Y207-I215 HydrophobicContact CD1-CB 3.99Å; Y207-I215 HydrophobicContact CD2-CB 4.14Å; Y207-I215 HydrophobicContact CD2-CD1 4.37Å; Y207-I215 HydrophobicContact CD2-CG1 4.36Å; Y207-I215 HydrophobicContact CE1-CB 3.98Å; Y207-I215 HydrophobicContact CE2-CB 4.07Å; Y207-I215 HydrophobicContact CE2-CD1 4.3Å; Y207-I215 HydrophobicContact CE2-CG1 4.01Å; Y207-I215 HydrophobicContact CG-CB 4.1Å; Y207-D218 WeakPolarHBondContact CE1-OD2 3.43Å; Y207-D218 PolarHBondContact OH-OD2 2.86Å
208	K	97.8	Very high	96.9	Very high	109 Å²	109	46.1 Å²	46.1	47%	0.474	24%	0.244	S	C	.	.	H	α-helix	trans	-66.9	-38.7	-179.5	-171.1	-167.6	171	-151.7	0	112.5	F204 N205 R206 G212 T213	F204-K208 PolarHBondContact O-N 3.43Å; N205-K208 WeakPolarHBondContact O-CA 3.48Å; N205-K208 WeakPolarHBondContact O-CB 3.36Å; N205-K208 PolarHBondContact O-N 2.95Å; R206-K208 VanDerWaalsContact C-N 3.26Å; R206-K208 PolarHBondContact O-N 3.41Å; K208-G212 VanDerWaalsContact O-CA 3.27Å; K208-G212 WeakPolarHBondContact O-CA 3.12Å; K208-G212 PolarHBondContact O-N 2.98Å; K208-T213 VanDerWaalsContact CA-O 3.3Å; K208-T213 WeakPolarHBondContact CA-O 3.32Å
209	D	97.8	Very high	96.8	Very high	111 Å²	111	42.2 Å²	42.2	59%	0.594	23%	0.225	S	C	*	.	H	α-helix	trans	-69.9	-38.3	-178.4	-62.7	-19.9	0	0	0	111.7	N205 R206	N205-D209 VanDerWaalsContact O-CG 3.25Å; N205-D209 PolarHBondContact O-N 3.31Å; R206-D209 PolarHBondContact O-N 3.21Å; R206-D209 VanDerWaalsContact O-N 3.16Å
210	I	97.5	Very high	96.5	Very high	76 Å²	76	46.1 Å²	46.1	39%	0.39	25%	0.246	S	C	.	.	H	α-helix	trans	-75.8	-45.2	-179.1	-63.2	163.5	0	0	0	111.3	Q168 R206	Q168-I210 HydrophobicContact CG-CD1 4.06Å; R206-I210 HydrophobicContact CB-CD1 4.46Å; R206-I210 WeakPolarHBondContact O-CB 3.25Å; R206-I210 WeakPolarHBondContact O-CD1 3.44Å; R206-I210 WeakPolarHBondContact O-CG1 3.43Å; R206-I210 PolarHBondContact O-N 3.42Å
211	Y	96.7	Very high	96.1	Very high	70 Å²	70	52.1 Å²	52.1	28%	0.275	28%	0.278	S	S	.	.	H	α-helix	trans	-102.6	-5.3	-169.8	-57.1	-65.8	0	0	0	113.9	A172 H175 Y207 T213	A172-Y211 VanDerWaalsContact CA-OH 3.29Å; A172-Y211 WeakPolarHBondContact CA-OH 3.1Å; A172-Y211 WeakPolarHBondContact CB-OH 3.21Å; H175-Y211 HydrophobicContact CB-CD2 3.88Å; H175-Y211 HydrophobicContact CB-CE1 4.27Å; H175-Y211 HydrophobicContact CB-CE2 3.33Å; H175-Y211 AromaticContact CD2-CD1 3.48Å; H175-Y211 VanDerWaalsContact CD2-CD1 3.48Å; H175-Y211 WeakPolarHBondContact CD2-CD1 3.32Å; H175-Y211 AromaticContact CD2-CD2 3.46Å; H175-Y211 VanDerWaalsContact CD2-CD2 3.46Å; H175-Y211 WeakPolarHBondContact CD2-CD2 3.47Å; H175-Y211 AromaticContact CD2-CE1 3.72Å; H175-Y211 AromaticContact CD2-CE2 3.73Å; H175-Y211 AromaticContact CD2-CG 3.35Å; H175-Y211 AromaticContact CD2-CZ 3.85Å; H175-Y211 AromaticContact CE1-CD1 3.71Å; H175-Y211 AromaticContact CE1-CE1 3.59Å; H175-Y211 AromaticContact CG-CD1 3.88Å; H175-Y211 AromaticContact CG-CD2 3.75Å; H175-Y211 AromaticContact CG-CE1 3.61Å; H175-Y211 AromaticContact CG-CE2 3.49Å; H175-Y211 VanDerWaalsContact CG-CE2 3.49Å; H175-Y211 AromaticContact CG-CG 3.96Å; H175-Y211 AromaticContact CG-CZ 3.41Å; H175-Y211 VanDerWaalsContact CG-CZ 3.41Å; H175-Y211 AromaticContact ND1-CE1 3.54Å; H175-Y211 AromaticContact ND1-CZ 3.66Å; H175-Y211 AromaticContact NE2-CD1 3.38Å; H175-Y211 WeakPolarHBondContact NE2-CD1 3.34Å; H175-Y211 AromaticContact NE2-CE1 3.73Å; H175-Y211 AromaticContact NE2-CG 3.67Å; Y207-Y211 HydrophobicContact CD1-CD2 4.07Å; Y207-Y211 HydrophobicContact CD2-CD2 4.33Å; Y207-Y211 HydrophobicContact CE1-CD2 4.16Å; Y207-Y211 HydrophobicContact CE2-CD2 4.48Å; Y207-Y211 HydrophobicContact CG-CD2 4.13Å; Y207-Y211 WeakPolarHBondContact O-CB 3.5Å; Y207-Y211 VanDerWaalsContact O-CD2 3.22Å; Y207-Y211 WeakPolarHBondContact O-CD2 3.45Å; Y207-Y211 PolarHBondContact O-N 2.92Å; Y211-T213 PolarHBondContact O-N 3.33Å; Y211-T213 VanDerWaalsContact O-N 3.08Å
212	G	96.4	Very high	95.7	Very high	68 Å²	68	53.5 Å²	53.5	70%	0.701	28%	0.281	S	S	*	.	S	Bend	trans	70.9	-1.2	179.5	0	0	0	0	0	114.9	K208	K208-G212 VanDerWaalsContact O-CA 3.27Å; K208-G212 WeakPolarHBondContact O-CA 3.12Å; K208-G212 PolarHBondContact O-N 2.98Å
213	T	96.3	Very high	95.2	Very high	34 Å²	34	58.5 Å²	58.5	21%	0.209	31%	0.313	C	S	.	.	S	Bend	trans	-129.9	151.3	-179.9	177.9	0	0	0	0	109.9	Y207 K208 Y211 D218	Y207-T213 WeakPolarHBondContact CD1-O 3.49Å; K208-T213 VanDerWaalsContact CA-O 3.3Å; K208-T213 WeakPolarHBondContact CA-O 3.32Å; Y211-T213 PolarHBondContact O-N 3.33Å; Y211-T213 VanDerWaalsContact O-N 3.08Å; T213-D218 WeakPolarHBondContact CB-OD1 3.4Å; T213-D218 VanDerWaalsContact CG2-CG 3.45Å; T213-D218 WeakPolarHBondContact CG2-OD1 3.41Å; T213-D218 WeakPolarHBondContact CG2-OD2 3.3Å; T213-D218 PolarHBondContact OG1-OD1 3.45Å; T213-D218 PolarHBondContact OG1-OD2 3.36Å
214	S	96.4	Very high	94.6	Very high	23 Å²	23	64.4 Å²	64.4	16%	0.161	35%	0.349	C	S	.	.			trans	-84.7	140.4	176.5	68.2	0	0	0	0	109.2	T216 K217 D218	S214-T216 PolarHBondContact O-N 2.8Å; S214-T216 PolarHBondContact OG-OG1 3.34Å; S214-K217 WeakPolarHBondContact O-CA 3.41Å; S214-K217 WeakPolarHBondContact O-CB 3.21Å; S214-K217 PolarHBondContact O-N 2.73Å; S214-K217 WeakPolarHBondContact OG-CG 3.35Å; S214-K217 PolarHBondContact OG-N 3.18Å; S214-D218 PolarHBondContact O-N 2.93Å
215	I	95.8	Very high	94.3	Very high	3 Å²	3	67.9 Å²	67.9	2%	0.015	37%	0.368	C	S	.	.	H	α-helix	trans	-41.5	-41.3	171.1	-169.3	172.7	0	0	0	113.6	L174 I178 F204 Y207 K217 D218 L219 I235	L174-I215 HydrophobicContact CB-CD1 4.29Å; L174-I215 HydrophobicContact CD1-CD1 3.88Å; I178-I215 HydrophobicContact CD1-CD1 3.64Å; I178-I215 HydrophobicContact CD1-CG1 3.3Å; F204-I215 HydrophobicContact CD1-CD1 4.22Å; F204-I215 HydrophobicContact CD1-CG2 3.98Å; F204-I215 HydrophobicContact CE1-CD1 4.16Å; F204-I215 HydrophobicContact CG-CG2 4.42Å; Y207-I215 HydrophobicContact CD1-CB 3.99Å; Y207-I215 HydrophobicContact CD2-CB 4.14Å; Y207-I215 HydrophobicContact CD2-CD1 4.37Å; Y207-I215 HydrophobicContact CD2-CG1 4.36Å; Y207-I215 HydrophobicContact CE1-CB 3.98Å; Y207-I215 HydrophobicContact CE2-CB 4.07Å; Y207-I215 HydrophobicContact CE2-CD1 4.3Å; Y207-I215 HydrophobicContact CE2-CG1 4.01Å; Y207-I215 HydrophobicContact CG-CB 4.1Å; I215-K217 VanDerWaalsContact C-N 3.31Å; I215-K217 PolarHBondContact O-N 2.93Å; I215-D218 PolarHBondContact O-N 3.39Å; I215-L219 HydrophobicContact CG1-CD1 4.41Å; I215-L219 VanDerWaalsContact O-CG 3.29Å; I215-L219 WeakPolarHBondContact O-CG 3.27Å; I215-L219 PolarHBondContact O-N 3.32Å; I215-I235 HydrophobicContact CD1-CD1 3.88Å; I215-I235 HydrophobicContact CG1-CD1 4.1Å; I215-I235 HydrophobicContact CG2-CD1 4.12Å; I215-I235 HydrophobicContact CG2-CG2 3.75Å
216	T	95	Very high	94	Very high	22 Å²	22	68.5 Å²	68.5	14%	0.135	37%	0.368	C	S	.	.	H	α-helix	trans	-65.8	-32.8	-179.9	73.3	0	0	0	0	113	S214 R232 I235 R236	S214-T216 PolarHBondContact O-N 2.8Å; S214-T216 PolarHBondContact OG-OG1 3.34Å; T216-R232 PolarHBondContact O-NH1 3.29Å; T216-R232 PolarHBondContact OG1-NH1 2.79Å; T216-I235 HydrophobicContact CG2-CB 3.95Å; T216-I235 HydrophobicContact CG2-CG2 3.39Å; T216-R236 HydrophobicContact CG2-CG 4.35Å
217	K	94.7	Very high	93.9	Very high	131 Å²	131	64.7 Å²	64.7	57%	0.57	35%	0.354	S	S	*	.	H	α-helix	trans	-71.7	-41.4	175.8	-77.3	179.1	176.4	-172.4	0	110.3	S214 I215 L219 L220	S214-K217 WeakPolarHBondContact O-CA 3.41Å; S214-K217 WeakPolarHBondContact O-CB 3.21Å; S214-K217 PolarHBondContact O-N 2.73Å; S214-K217 WeakPolarHBondContact OG-CG 3.35Å; S214-K217 PolarHBondContact OG-N 3.18Å; I215-K217 VanDerWaalsContact C-N 3.31Å; I215-K217 PolarHBondContact O-N 2.93Å; K217-L219 VanDerWaalsContact C-N 3.31Å; K217-L219 PolarHBondContact O-N 2.9Å; K217-L220 VanDerWaalsContact O-CB 3.26Å; K217-L220 WeakPolarHBondContact O-CB 3.38Å; K217-L220 PolarHBondContact O-N 3.3Å
218	D	94.1	Very high	93.7	Very high	16 Å²	16	65.4 Å²	65.4	9%	0.086	36%	0.358	C	S	.	.	H	α-helix	trans	-67.9	-37.3	-179.2	-51.9	-42.5	0	0	0	111.2	I178 Y207 T213 S214 I215 L220 N221 H222	I178-D218 HydrophobicContact CG2-CB 4.15Å; Y207-D218 WeakPolarHBondContact CE1-OD2 3.43Å; Y207-D218 PolarHBondContact OH-OD2 2.86Å; T213-D218 WeakPolarHBondContact CB-OD1 3.4Å; T213-D218 VanDerWaalsContact CG2-CG 3.45Å; T213-D218 WeakPolarHBondContact CG2-OD1 3.41Å; T213-D218 WeakPolarHBondContact CG2-OD2 3.3Å; T213-D218 PolarHBondContact OG1-OD1 3.45Å; T213-D218 PolarHBondContact OG1-OD2 3.36Å; S214-D218 PolarHBondContact O-N 2.93Å; I215-D218 PolarHBondContact O-N 3.39Å; D218-L220 PolarHBondContact O-N 2.87Å; D218-N221 WeakPolarHBondContact O-CB 3.44Å; D218-N221 PolarHBondContact O-N 3.3Å; D218-H222 PolarHBondContact O-CD2 3.08Å
219	L	93.1	Very high	93.5	Very high	8 Å²	8	62.8 Å²	62.8	4%	0.042	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-57.4	-20.7	169.6	-70.2	171.6	0	0	0	114.2	I178 I215 K217 N221 L228 L231 R232 I235	I178-L219 HydrophobicContact CD1-CD2 3.91Å; I178-L219 HydrophobicContact CD1-CG 4.12Å; I178-L219 HydrophobicContact CG1-CD2 3.92Å; I178-L219 HydrophobicContact CG2-CD2 4.22Å; I215-L219 HydrophobicContact CG1-CD1 4.41Å; I215-L219 VanDerWaalsContact O-CG 3.29Å; I215-L219 WeakPolarHBondContact O-CG 3.27Å; I215-L219 PolarHBondContact O-N 3.32Å; K217-L219 VanDerWaalsContact C-N 3.31Å; K217-L219 PolarHBondContact O-N 2.9Å; L219-N221 VanDerWaalsContact C-N 3.34Å; L219-L228 HydrophobicContact CD2-CD2 3.83Å; L219-L231 HydrophobicContact CD1-CD2 3.92Å; L219-L231 HydrophobicContact CD1-CG 3.94Å; L219-L231 HydrophobicContact CD2-CD2 3.7Å; L219-L231 HydrophobicContact CG-CD2 4.5Å; L219-R232 HydrophobicContact CD1-CB 4.34Å; L219-I235 HydrophobicContact CD1-CD1 3.56Å
220	L	91.2	Very high	93.5	Very high	92 Å²	92	57.6 Å²	57.6	48%	0.482	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-79.4	-15.8	174.1	-72.8	175.6	0	0	0	113.6	K217 D218 H222	K217-L220 VanDerWaalsContact O-CB 3.26Å; K217-L220 WeakPolarHBondContact O-CB 3.38Å; K217-L220 PolarHBondContact O-N 3.3Å; D218-L220 PolarHBondContact O-N 2.87Å; L220-H222 PolarHBondContact O-N 2.86Å
221	N	90.3	Very high	93.5	Very high	128 Å²	128	54 Å²	54	68%	0.684	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-77.7	-9.9	-179.4	-61.5	-24.2	0	0	0	112.1	D218 L219	D218-N221 WeakPolarHBondContact O-CB 3.44Å; D218-N221 PolarHBondContact O-N 3.3Å; L219-N221 VanDerWaalsContact C-N 3.34Å
222	H	88.1	Confident	93.4	Very high	59 Å²	59	52.6 Å²	52.6	27%	0.273	30%	0.301	S	S	.	.	S	Bend	trans	-96.7	152.6	178.3	-60.7	-88.8	0	0	0	111.3	I178 D218 L220 T224 L228	I178-H222 PolarHBondContact O-CE1 2.93Å; I178-H222 PolarHBondContact O-NE2 3.47Å; D218-H222 PolarHBondContact O-CD2 3.08Å; L220-H222 PolarHBondContact O-N 2.86Å; H222-T224 PolarHBondContact O-N 2.97Å; H222-L228 HydrophobicContact CB-CD1 3.75Å
223	P	87.1	Confident	93.5	Very high	114 Å²	114	49.6 Å²	49.6	74%	0.74	27%	0.27	S	S	*	.	P	Polyproline II helix	trans	-52	129.7	172.5	-25.8	34.7	0	0	0	111.2	N225 L228	P223-N225 PolarHBondContact O-N 3.31Å; P223-L228 WeakPolarHBondContact O-CD1 3.05Å
224	T	85.8	Confident	93.5	Very high	124 Å²	124	48 Å²	48	76%	0.761	26%	0.26	S	S	*	.	P	Polyproline II helix	trans	-67.6	125.4	-176.2	-61	0	0	0	0	110.3	H222	H222-T224 PolarHBondContact O-N 2.97Å
225	N	91.4	Very high	93.6	Very high	75 Å²	75	46.9 Å²	46.9	40%	0.401	25%	0.252	S	S	.	.			trans	-133	171.7	169.1	69	40.5	0	0	0	110.1	P223 Y227 L228 S229	P223-N225 PolarHBondContact O-N 3.31Å; N225-Y227 VanDerWaalsContact C-N 3.34Å; N225-Y227 PolarHBondContact O-N 3.41Å; N225-Y227 WeakPolarHBondContact OD1-CB 3.45Å; N225-Y227 PolarHBondContact OD1-N 2.95Å; N225-Y227 VanDerWaalsContact OD1-N 3.12Å; N225-L228 PolarHBondContact O-N 3.18Å; N225-L228 WeakPolarHBondContact OD1-CG 3.38Å; N225-L228 PolarHBondContact OD1-N 3.32Å; N225-S229 WeakPolarHBondContact O-CB 3.12Å; N225-S229 PolarHBondContact O-N 3.04Å
226	E	93.2	Very high	93.7	Very high	85 Å²	85	50 Å²	50	40%	0.397	26%	0.264	S	S	.	.	H	α-helix	trans	-60.2	-43.1	-176.7	-60.8	-173.8	154.8	0	0	112.3	Y102 S229 A230	Y102-E226 HydrophobicContact CD2-CB 4.19Å; Y102-E226 HydrophobicContact CE2-CB 3.74Å; Y102-E226 VanDerWaalsContact CE2-CD 3.45Å; Y102-E226 HydrophobicContact CE2-CG 3.9Å; Y102-E226 VanDerWaalsContact CE2-OE2 3.31Å; Y102-E226 WeakPolarHBondContact CE2-OE2 3.31Å; Y102-E226 PolarHBondContact OH-OE2 3.13Å; E226-S229 PolarHBondContact O-N 3.16Å; E226-A230 WeakPolarHBondContact O-CB 3.47Å; E226-A230 PolarHBondContact O-N 3.08Å
227	Y	94.7	Very high	93.8	Very high	10 Å²	10	49 Å²	49	4%	0.039	26%	0.257	C	S	.	.	H	α-helix	trans	-60.4	-54.1	177.8	167.3	-103	0	0	0	112.1	D143 L147 H185 I189 N225 S229 A230 L231	D143-Y227 HydrophobicContact CB-CD1 4.18Å; D143-Y227 HydrophobicContact CB-CD2 3.46Å; D143-Y227 VanDerWaalsContact CB-CD2 3.46Å; D143-Y227 HydrophobicContact CB-CE2 3.87Å; D143-Y227 HydrophobicContact CB-CG 3.63Å; D143-Y227 WeakPolarHBondContact O-CD2 3.24Å; L147-Y227 HydrophobicContact CB-CD2 4.25Å; L147-Y227 HydrophobicContact CB-CE2 4.01Å; L147-Y227 HydrophobicContact CD2-CD2 4.11Å; L147-Y227 HydrophobicContact CD2-CE2 3.98Å; L147-Y227 HydrophobicContact CG-CE2 4.43Å; H185-Y227 HydrophobicContact CB-CE1 3.96Å; H185-Y227 VanDerWaalsContact CB-OH 3.28Å; H185-Y227 WeakPolarHBondContact CB-OH 3.4Å; H185-Y227 AromaticContact CD2-CD1 3.68Å; H185-Y227 AromaticContact CD2-CE1 3.24Å; H185-Y227 WeakPolarHBondContact CD2-CE1 3.45Å; H185-Y227 AromaticContact CD2-CZ 3.87Å; H185-Y227 AromaticContact CG-CE1 3.51Å; H185-Y227 AromaticContact CG-CZ 3.8Å; H185-Y227 AromaticContact NE2-CD1 3.98Å; H185-Y227 AromaticContact NE2-CE1 3.68Å; I189-Y227 HydrophobicContact CD1-CE2 4.14Å; I189-Y227 HydrophobicContact CG1-CE2 4.21Å; N225-Y227 VanDerWaalsContact C-N 3.34Å; N225-Y227 PolarHBondContact O-N 3.41Å; N225-Y227 WeakPolarHBondContact OD1-CB 3.45Å; N225-Y227 PolarHBondContact OD1-N 2.95Å; N225-Y227 VanDerWaalsContact OD1-N 3.12Å; Y227-S229 VanDerWaalsContact C-N 3.27Å; Y227-S229 PolarHBondContact O-N 2.91Å; Y227-A230 PolarHBondContact O-N 3.18Å; Y227-A230 VanDerWaalsContact O-N 3.16Å; Y227-L231 HydrophobicContact CE1-CD2 4.01Å; Y227-L231 VanDerWaalsContact O-CB 3.28Å; Y227-L231 WeakPolarHBondContact O-CB 3.18Å; Y227-L231 PolarHBondContact O-N 3.29Å
228	L	94	Very high	93.9	Very high	16 Å²	16	43.4 Å²	43.4	8%	0.084	23%	0.234	C	C	.	.	H	α-helix	trans	-63.5	-34.1	-179.3	-66	177	0	0	0	111.7	L219 H222 P223 N225 L231 R232	L219-L228 HydrophobicContact CD2-CD2 3.83Å; H222-L228 HydrophobicContact CB-CD1 3.75Å; P223-L228 WeakPolarHBondContact O-CD1 3.05Å; N225-L228 PolarHBondContact O-N 3.18Å; N225-L228 WeakPolarHBondContact OD1-CG 3.38Å; N225-L228 PolarHBondContact OD1-N 3.32Å; L228-L231 HydrophobicContact CD2-CD2 4.4Å; L228-R232 WeakPolarHBondContact O-CB 3.44Å; L228-R232 PolarHBondContact O-N 3.24Å
229	S	94.8	Very high	94	Very high	53 Å²	53	46.6 Å²	46.6	37%	0.371	25%	0.247	S	C	.	.	H	α-helix	trans	-64.8	-46.8	173.9	-173	0	0	0	0	111.7	N225 E226 Y227 R232 A233	N225-S229 WeakPolarHBondContact O-CB 3.12Å; N225-S229 PolarHBondContact O-N 3.04Å; E226-S229 PolarHBondContact O-N 3.16Å; Y227-S229 VanDerWaalsContact C-N 3.27Å; Y227-S229 PolarHBondContact O-N 2.91Å; S229-R232 PolarHBondContact O-N 3.24Å; S229-A233 WeakPolarHBondContact O-CB 3.02Å; S229-A233 PolarHBondContact O-N 3.06Å
230	A	96.7	Very high	94.1	Very high	2 Å²	2	49.4 Å²	49.4	2%	0.017	26%	0.262	C	S	.	.	H	α-helix	trans	-66.4	-43.9	176.9	0	0	0	0	0	112.1	V106 I144 L147 E226 Y227 R232 A233 A234	V106-A230 HydrophobicContact CG2-CB 4.04Å; I144-A230 HydrophobicContact CD1-CB 3.25Å; L147-A230 HydrophobicContact CD2-CB 4.24Å; E226-A230 WeakPolarHBondContact O-CB 3.47Å; E226-A230 PolarHBondContact O-N 3.08Å; Y227-A230 PolarHBondContact O-N 3.18Å; Y227-A230 VanDerWaalsContact O-N 3.16Å; A230-R232 PolarHBondContact O-N 2.82Å; A230-A233 CarbonylContact O-C 3.58Å; A230-A233 WeakPolarHBondContact O-CA 3.3Å; A230-A233 WeakPolarHBondContact O-CB 3.28Å; A230-A233 PolarHBondContact O-N 3.12Å; A230-A233 VanDerWaalsContact O-N 3.11Å; A230-A234 PolarHBondContact O-N 3Å
231	L	96.8	Very high	94.3	Very high	2 Å²	2	47 Å²	47	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-57.3	-48	174.5	175.2	61.3	0	0	0	111.2	L147 T188 L192 L219 Y227 L228 A233 A234 I235	L147-L231 HydrophobicContact CD2-CB 4.3Å; T188-L231 HydrophobicContact CG2-CD1 3.58Å; T188-L231 HydrophobicContact CG2-CD2 3.86Å; T188-L231 HydrophobicContact CG2-CG 4.38Å; L192-L231 HydrophobicContact CD2-CD1 3.13Å; L219-L231 HydrophobicContact CD1-CD2 3.92Å; L219-L231 HydrophobicContact CD1-CG 3.94Å; L219-L231 HydrophobicContact CD2-CD2 3.7Å; L219-L231 HydrophobicContact CG-CD2 4.5Å; Y227-L231 HydrophobicContact CE1-CD2 4.01Å; Y227-L231 VanDerWaalsContact O-CB 3.28Å; Y227-L231 WeakPolarHBondContact O-CB 3.18Å; Y227-L231 PolarHBondContact O-N 3.29Å; L228-L231 HydrophobicContact CD2-CD2 4.4Å; L231-A233 VanDerWaalsContact C-N 3.29Å; L231-A233 PolarHBondContact O-N 3.43Å; L231-A234 WeakPolarHBondContact O-CB 3.42Å; L231-A234 PolarHBondContact O-N 3.06Å; L231-I235 HydrophobicContact CD1-CD1 4.05Å; L231-I235 HydrophobicContact CD1-CG1 4.42Å; L231-I235 HydrophobicContact CG-CD1 4.07Å; L231-I235 WeakPolarHBondContact O-CG1 3.42Å; L231-I235 PolarHBondContact O-N 2.98Å
232	R	96.2	Very high	94.6	Very high	40 Å²	40	42.1 Å²	42.1	15%	0.151	23%	0.227	C	C	.	.	H	α-helix	trans	-66.2	-31.8	176.9	-177.7	170.6	155.7	74.9	-8.9	112.1	T216 L219 L228 S229 A230 R236	T216-R232 PolarHBondContact O-NH1 3.29Å; T216-R232 PolarHBondContact OG1-NH1 2.79Å; L219-R232 HydrophobicContact CD1-CB 4.34Å; L228-R232 WeakPolarHBondContact O-CB 3.44Å; L228-R232 PolarHBondContact O-N 3.24Å; S229-R232 PolarHBondContact O-N 3.24Å; A230-R232 PolarHBondContact O-N 2.82Å; R232-R236 VanDerWaalsContact O-CG 3.29Å; R232-R236 WeakPolarHBondContact O-CG 3.25Å; R232-R236 PolarHBondContact O-N 2.8Å
233	A	97.4	Very high	95	Very high	4 Å²	4	46 Å²	46	3%	0.033	24%	0.239	C	C	.	.	H	α-helix	trans	-65.7	-48.4	170.4	0	0	0	0	0	110.4	V106 S229 A230 L231 I235 R236 C237 Y244	V106-A233 HydrophobicContact CG1-CB 4Å; S229-A233 WeakPolarHBondContact O-CB 3.02Å; S229-A233 PolarHBondContact O-N 3.06Å; A230-A233 CarbonylContact O-C 3.58Å; A230-A233 WeakPolarHBondContact O-CA 3.3Å; A230-A233 WeakPolarHBondContact O-CB 3.28Å; A230-A233 PolarHBondContact O-N 3.12Å; A230-A233 VanDerWaalsContact O-N 3.11Å; L231-A233 VanDerWaalsContact C-N 3.29Å; L231-A233 PolarHBondContact O-N 3.43Å; A233-I235 PolarHBondContact O-N 2.9Å; A233-R236 WeakPolarHBondContact O-CB 3.27Å; A233-R236 PolarHBondContact O-N 2.55Å; A233-C237 PolarHBondContact O-N 3.33Å; A233-C237 PolarHBondContact O-SG 2.78Å; A233-Y244 HydrophobicContact CB-CE2 4.27Å
234	A	97.8	Very high	95.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-56.2	-50	-178.8	0	0	0	0	0	112	V106 M151 A230 L231 R236 C237 I238	V106-A234 HydrophobicContact CG1-CB 3.73Å; V106-A234 VanDerWaalsContact CG1-N 3.33Å; M151-A234 HydrophobicContact CE-CB 3.99Å; M151-A234 HydrophobicContact SD-CB 4.33Å; A230-A234 PolarHBondContact O-N 3Å; L231-A234 WeakPolarHBondContact O-CB 3.42Å; L231-A234 PolarHBondContact O-N 3.06Å; A234-R236 VanDerWaalsContact C-N 3.28Å; A234-R236 PolarHBondContact O-N 2.83Å; A234-C237 WeakPolarHBondContact O-CB 3.34Å; A234-C237 PolarHBondContact O-N 3.33Å; A234-C237 VanDerWaalsContact O-N 3.08Å; A234-I238 WeakPolarHBondContact O-CD1 3.18Å; A234-I238 WeakPolarHBondContact O-CG1 3.38Å; A234-I238 PolarHBondContact O-N 3Å
235	I	97.5	Very high	96.1	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-59.9	-40.1	178.7	-64.5	161.5	0	0	0	111.4	L192 F204 I215 T216 L219 L231 A233 K239	L192-I235 HydrophobicContact CD2-CG1 4.46Å; F204-I235 HydrophobicContact CD1-CG2 4.29Å; F204-I235 HydrophobicContact CD2-CG2 3.92Å; F204-I235 HydrophobicContact CE1-CG1 4.08Å; F204-I235 HydrophobicContact CE1-CG2 4.18Å; F204-I235 HydrophobicContact CE2-CB 4.36Å; F204-I235 HydrophobicContact CE2-CG1 4.41Å; F204-I235 HydrophobicContact CE2-CG2 3.81Å; F204-I235 HydrophobicContact CG-CG2 4.17Å; F204-I235 HydrophobicContact CZ-CB 4.26Å; F204-I235 HydrophobicContact CZ-CG1 3.82Å; F204-I235 HydrophobicContact CZ-CG2 3.95Å; I215-I235 HydrophobicContact CD1-CD1 3.88Å; I215-I235 HydrophobicContact CG1-CD1 4.1Å; I215-I235 HydrophobicContact CG2-CD1 4.12Å; I215-I235 HydrophobicContact CG2-CG2 3.75Å; T216-I235 HydrophobicContact CG2-CB 3.95Å; T216-I235 HydrophobicContact CG2-CG2 3.39Å; L219-I235 HydrophobicContact CD1-CD1 3.56Å; L231-I235 HydrophobicContact CD1-CD1 4.05Å; L231-I235 HydrophobicContact CD1-CG1 4.42Å; L231-I235 HydrophobicContact CG-CD1 4.07Å; L231-I235 WeakPolarHBondContact O-CG1 3.42Å; L231-I235 PolarHBondContact O-N 2.98Å; A233-I235 PolarHBondContact O-N 2.9Å; I235-K239 WeakPolarHBondContact O-CB 3.33Å; I235-K239 PolarHBondContact O-N 2.89Å
236	R	97.5	Very high	96.5	Very high	68 Å²	68	32 Å²	32	26%	0.257	15%	0.152	S	C	.	.	H	α-helix	trans	-69.2	-38.2	176.6	-70.9	-178.6	-169	135	-23.1	112	T216 R232 A233 A234 I238 N240 Y244	T216-R236 HydrophobicContact CG2-CG 4.35Å; R232-R236 VanDerWaalsContact O-CG 3.29Å; R232-R236 WeakPolarHBondContact O-CG 3.25Å; R232-R236 PolarHBondContact O-N 2.8Å; A233-R236 WeakPolarHBondContact O-CB 3.27Å; A233-R236 PolarHBondContact O-N 2.55Å; A234-R236 VanDerWaalsContact C-N 3.28Å; A234-R236 PolarHBondContact O-N 2.83Å; R236-I238 VanDerWaalsContact C-N 3.35Å; R236-N240 CarbonylContact O-C 3.57Å; R236-N240 PolarHBondContact O-N 2.92Å; R236-Y244 HydrophobicContact CB-CD2 3.84Å
237	C	97.8	Very high	96.6	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60.1	-48	176.8	-67	0	0	0	0	110.4	C110 M111 A233 A234 P241 Y244	C110-C237 HydrophobicContact CB-CB 3.63Å; M111-C237 HydrophobicContact CE-CB 3.34Å; M111-C237 WeakPolarHBondContact CE-SG 3.29Å; M111-C237 HydrophobicContact CG-CB 4.08Å; A233-C237 PolarHBondContact O-N 3.33Å; A233-C237 PolarHBondContact O-SG 2.78Å; A234-C237 WeakPolarHBondContact O-CB 3.34Å; A234-C237 PolarHBondContact O-N 3.33Å; A234-C237 VanDerWaalsContact O-N 3.08Å; C237-P241 WeakPolarHBondContact O-CA 3.16Å; C237-P241 VanDerWaalsContact O-CD 3.22Å; C237-P241 WeakPolarHBondContact O-CD 3.45Å; C237-P241 WeakPolarHBondContact O-CG 3.31Å; C237-Y244 VanDerWaalsContact SG-CE2 3.59Å
238	I	96.2	Very high	96.7	Very high	14 Å²	14	32.4 Å²	32.4	7%	0.072	15%	0.154	C	C	.	.	H	α-helix	trans	-65.1	-50.1	178.2	-65.4	155.3	0	0	0	110.9	C110 L200 F204 A234 R236 N240	C110-I238 HydrophobicContact CB-CG1 4.17Å; L200-I238 HydrophobicContact CB-CG2 3.82Å; L200-I238 HydrophobicContact CD1-CD1 3.86Å; L200-I238 HydrophobicContact CD1-CG2 4.36Å; F204-I238 HydrophobicContact CE2-CB 4.2Å; F204-I238 HydrophobicContact CE2-CD1 4.41Å; F204-I238 HydrophobicContact CE2-CG2 3.92Å; A234-I238 WeakPolarHBondContact O-CD1 3.18Å; A234-I238 WeakPolarHBondContact O-CG1 3.38Å; A234-I238 PolarHBondContact O-N 3Å; R236-I238 VanDerWaalsContact C-N 3.35Å; I238-N240 PolarHBondContact O-N 3.39Å
239	K	95.5	Very high	96.9	Very high	84 Å²	84	31.7 Å²	31.7	37%	0.365	15%	0.15	S	C	.	.	H	α-helix	trans	-67.3	-39.5	-172.5	-176.9	167.3	-172.4	131.6	0	113.7	N205 I235	N205-K239 PolarHBondContact OD1-NZ 3.38Å; I235-K239 WeakPolarHBondContact O-CB 3.33Å; I235-K239 PolarHBondContact O-N 2.89Å
240	N	95.6	Very high	96.9	Very high	66 Å²	66	34 Å²	34	35%	0.353	15%	0.151	S	C	.	.			trans	-156.9	83.6	-179.8	-164	-46.7	0	0	0	111	R236 I238 T242 R243 Y244	R236-N240 CarbonylContact O-C 3.57Å; R236-N240 PolarHBondContact O-N 2.92Å; I238-N240 PolarHBondContact O-N 3.39Å; N240-T242 VanDerWaalsContact C-N 3.33Å; N240-T242 PolarHBondContact O-N 3.01Å; N240-R243 HydrophobicContact CB-CB 3.9Å; N240-R243 PolarHBondContact O-N 2.99Å; N240-R243 WeakPolarHBondContact OD1-CB 3.2Å; N240-R243 PolarHBondContact OD1-N 3Å; N240-Y244 PolarHBondContact O-N 3.48Å
241	P	96.1	Very high	96.8	Very high	43 Å²	43	37.6 Å²	37.6	28%	0.279	17%	0.17	S	C	.	.	H	α-helix	trans	-52.9	-47.4	-179.3	-24.1	28.4	0	0	0	113.1	M111 C237 R243 Y244 Y245	M111-P241 HydrophobicContact CE-CB 4.16Å; M111-P241 HydrophobicContact SD-CB 3.87Å; C237-P241 WeakPolarHBondContact O-CA 3.16Å; C237-P241 VanDerWaalsContact O-CD 3.22Å; C237-P241 WeakPolarHBondContact O-CD 3.45Å; C237-P241 WeakPolarHBondContact O-CG 3.31Å; P241-R243 PolarHBondContact O-N 3.3Å; P241-Y244 WeakPolarHBondContact O-CB 3.44Å; P241-Y244 PolarHBondContact O-N 3.45Å; P241-Y244 VanDerWaalsContact O-N 3.16Å; P241-Y245 WeakPolarHBondContact O-CD2 3.47Å; P241-Y245 PolarHBondContact O-N 3.01Å
242	T	96.9	Very high	96.7	Very high	25 Å²	25	37.6 Å²	37.6	15%	0.153	17%	0.17	C	C	.	.	H	α-helix	trans	-62.7	-43.1	-177.2	-46.5	0	0	0	0	111.7	N240 Y244 Y245 A246 D274 N277 I278 L281	N240-T242 VanDerWaalsContact C-N 3.33Å; N240-T242 PolarHBondContact O-N 3.01Å; T242-Y244 VanDerWaalsContact C-N 3.34Å; T242-Y245 PolarHBondContact O-N 3.34Å; T242-A246 WeakPolarHBondContact O-CB 3.38Å; T242-A246 PolarHBondContact O-N 3.31Å; T242-D274 PolarHBondContact OG1-OD2 3.03Å; T242-N277 HydrophobicContact CG2-CB 3.71Å; T242-I278 HydrophobicContact CG2-CB 4.24Å; T242-I278 HydrophobicContact CG2-CG1 3.5Å; T242-I278 VanDerWaalsContact CG2-CG1 3.5Å; T242-L281 HydrophobicContact CG2-CD1 3.72Å
243	R	97.1	Very high	96.5	Very high	140 Å²	140	36.1 Å²	36.1	53%	0.528	17%	0.165	S	C	.	.	H	α-helix	trans	-68	-33.9	176.1	-179.7	178.4	175.6	134.9	6.2	112.3	N240 P241 K247 L281	N240-R243 HydrophobicContact CB-CB 3.9Å; N240-R243 PolarHBondContact O-N 2.99Å; N240-R243 WeakPolarHBondContact OD1-CB 3.2Å; N240-R243 PolarHBondContact OD1-N 3Å; P241-R243 PolarHBondContact O-N 3.3Å; R243-K247 PolarHBondContact O-N 3.46Å; R243-L281 HydrophobicContact CB-CD1 4.25Å
244	Y	98	Very high	95.9	Very high	19 Å²	19	40.5 Å²	40.5	8%	0.075	19%	0.188	C	C	.	.	H	α-helix	trans	-65	-52.2	174.2	176	-83.6	0	0	0	110	E107 M111 A233 R236 C237 N240 P241 T242 A246 K247 V248	E107-Y244 HydrophobicContact CG-CD1 4.41Å; E107-Y244 HydrophobicContact CG-CE1 3.46Å; E107-Y244 VanDerWaalsContact CG-CE1 3.46Å; E107-Y244 WeakPolarHBondContact OE1-CE1 3.39Å; E107-Y244 PolarHBondContact OE1-OH 3.38Å; M111-Y244 HydrophobicContact CE-CD1 3.51Å; M111-Y244 HydrophobicContact CE-CE1 4.13Å; M111-Y244 HydrophobicContact CE-CG 3.99Å; A233-Y244 HydrophobicContact CB-CE2 4.27Å; R236-Y244 HydrophobicContact CB-CD2 3.84Å; C237-Y244 VanDerWaalsContact SG-CE2 3.59Å; N240-Y244 PolarHBondContact O-N 3.48Å; P241-Y244 WeakPolarHBondContact O-CB 3.44Å; P241-Y244 PolarHBondContact O-N 3.45Å; P241-Y244 VanDerWaalsContact O-N 3.16Å; T242-Y244 VanDerWaalsContact C-N 3.34Å; Y244-A246 PolarHBondContact O-N 3.06Å; Y244-K247 CarbonylContact O-C 3.03Å; Y244-K247 WeakPolarHBondContact O-CA 3.38Å; Y244-K247 VanDerWaalsContact O-CB 3.32Å; Y244-K247 WeakPolarHBondContact O-CB 3.46Å; Y244-K247 PolarHBondContact O-N 2.73Å; Y244-V248 HydrophobicContact CD1-CG2 3.89Å; Y244-V248 HydrophobicContact CE1-CG2 3.39Å; Y244-V248 PolarHBondContact O-N 3.05Å
245	Y	98.2	Very high	95	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.3	-38.8	178.6	-76.1	-49.4	0	0	0	113.5	E107 M111 R112 P241 T242 K247 V248 L249 V266 R270 I278	E107-Y245 HydrophobicContact CG-CE1 4.34Å; M111-Y245 HydrophobicContact CE-CD2 4.45Å; M111-Y245 HydrophobicContact CE-CE1 4.41Å; M111-Y245 HydrophobicContact CE-CE2 4Å; M111-Y245 HydrophobicContact SD-CD2 4.08Å; M111-Y245 HydrophobicContact SD-CE1 4.21Å; M111-Y245 HydrophobicContact SD-CE2 3.17Å; M111-Y245 WeakPolarHBondContact SD-CE2 2.88Å; M111-Y245 PolarHBondContact SD-OH 3.18Å; R112-Y245 PolarHBondContact NH1-OH 3.4Å; P241-Y245 WeakPolarHBondContact O-CD2 3.47Å; P241-Y245 PolarHBondContact O-N 3.01Å; T242-Y245 PolarHBondContact O-N 3.34Å; Y245-K247 PolarHBondContact O-N 2.91Å; Y245-V248 WeakPolarHBondContact O-CB 3.48Å; Y245-V248 PolarHBondContact O-N 3.37Å; Y245-L249 PolarHBondContact O-N 3.36Å; Y245-V266 HydrophobicContact CD1-CB 4.37Å; Y245-V266 HydrophobicContact CD1-CG1 3.93Å; Y245-V266 HydrophobicContact CD1-CG2 3.63Å; Y245-V266 HydrophobicContact CE1-CG2 4.16Å; Y245-V266 HydrophobicContact CG-CG1 4.05Å; Y245-R270 HydrophobicContact CD2-CG 4.1Å; Y245-R270 HydrophobicContact CE2-CG 4.1Å; Y245-I278 HydrophobicContact CD2-CD1 3.99Å; Y245-I278 HydrophobicContact CG-CD1 4.21Å
246	A	97.7	Very high	94.1	Very high	1 Å²	1	52 Å²	52	1%	0.008	26%	0.258	C	S	.	.	H	α-helix	trans	-60.3	-33.2	173.3	0	0	0	0	0	112.1	T242 Y244 R250 I278 L281	T242-A246 WeakPolarHBondContact O-CB 3.38Å; T242-A246 PolarHBondContact O-N 3.31Å; Y244-A246 PolarHBondContact O-N 3.06Å; A246-R250 WeakPolarHBondContact O-CB 3.48Å; A246-R250 PolarHBondContact O-N 3.33Å; A246-R250 VanDerWaalsContact O-N 3.14Å; A246-I278 HydrophobicContact CB-CG2 4.15Å; A246-L281 HydrophobicContact CB-CB 3.92Å
247	K	96.5	Very high	93.2	Very high	85 Å²	85	51.1 Å²	51.1	37%	0.37	27%	0.27	S	S	.	.	H	α-helix	trans	-72.6	-38.9	172.7	176.9	171.9	176.8	153	0	111.9	R243 Y244 Y245 R250 N251	R243-K247 PolarHBondContact O-N 3.46Å; Y244-K247 CarbonylContact O-C 3.03Å; Y244-K247 WeakPolarHBondContact O-CA 3.38Å; Y244-K247 VanDerWaalsContact O-CB 3.32Å; Y244-K247 WeakPolarHBondContact O-CB 3.46Å; Y244-K247 PolarHBondContact O-N 2.73Å; Y245-K247 PolarHBondContact O-N 2.91Å; K247-R250 PolarHBondContact O-N 3.5Å; K247-N251 WeakPolarHBondContact O-CB 3.39Å; K247-N251 VanDerWaalsContact O-CG 3.3Å; K247-N251 PolarHBondContact O-N 3.36Å; K247-N251 PolarHBondContact O-OD1 2.85Å
248	V	97.2	Very high	92.6	Very high	18 Å²	18	52.4 Å²	52.4	11%	0.109	28%	0.278	C	S	.	.	H	α-helix	trans	-58.8	-50.3	175	175.1	0	0	0	0	110.1	Y244 Y245 R250 N251 S252 A262 V266	Y244-V248 HydrophobicContact CD1-CG2 3.89Å; Y244-V248 HydrophobicContact CE1-CG2 3.39Å; Y244-V248 PolarHBondContact O-N 3.05Å; Y245-V248 WeakPolarHBondContact O-CB 3.48Å; Y245-V248 PolarHBondContact O-N 3.37Å; V248-R250 PolarHBondContact O-N 2.85Å; V248-N251 CarbonylContact O-C 3.43Å; V248-N251 PolarHBondContact O-N 3.26Å; V248-N251 VanDerWaalsContact O-N 3.14Å; V248-S252 PolarHBondContact O-N 3.24Å; V248-S252 PolarHBondContact O-OG 2.66Å; V248-A262 HydrophobicContact CG1-CB 4.01Å; V248-V266 HydrophobicContact CB-CG2 4.07Å; V248-V266 HydrophobicContact CG1-CG2 3.6Å
249	L	97.5	Very high	92.4	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-59.9	-42.9	177.5	-70.6	168.7	0	0	0	113.1	Y245 N251 S252 I253 L263 V266 I267 I278 Y282 L290	Y245-L249 PolarHBondContact O-N 3.36Å; L249-N251 VanDerWaalsContact C-N 3.3Å; L249-N251 PolarHBondContact O-N 3.44Å; L249-S252 WeakPolarHBondContact CA-OG 3.42Å; L249-S252 PolarHBondContact O-N 2.95Å; L249-S252 PolarHBondContact O-OG 3.32Å; L249-I253 WeakPolarHBondContact O-CG1 3.22Å; L249-I253 PolarHBondContact O-N 2.92Å; L249-L263 HydrophobicContact CD2-CD1 3.65Å; L249-V266 HydrophobicContact CD1-CG1 3.78Å; L249-V266 HydrophobicContact CD2-CB 3.82Å; L249-V266 HydrophobicContact CD2-CG1 3.9Å; L249-V266 HydrophobicContact CG-CB 4.07Å; L249-V266 HydrophobicContact CG-CG1 3.7Å; L249-I267 HydrophobicContact CD2-CG1 4.21Å; L249-I278 HydrophobicContact CD1-CG2 3.49Å; L249-I278 VanDerWaalsContact CD1-CG2 3.49Å; L249-Y282 HydrophobicContact CB-CD2 3.91Å; L249-Y282 HydrophobicContact CB-CE2 4.07Å; L249-L290 HydrophobicContact CB-CD1 4.29Å; L249-L290 HydrophobicContact CD1-CD1 4.3Å; L249-L290 HydrophobicContact CD1-CD2 3.69Å; L249-L290 HydrophobicContact CD2-CD1 4.45Å; L249-L290 HydrophobicContact CD2-CD2 4.49Å
250	R	95.4	Very high	92.4	Very high	103 Å²	103	53.5 Å²	53.5	39%	0.389	29%	0.286	S	S	.	.	H	α-helix	trans	-59.9	-45.3	175.6	177.6	-174.3	166	153.1	-5.6	111	A246 K247 V248 S252 N254 Y282 N286	A246-R250 WeakPolarHBondContact O-CB 3.48Å; A246-R250 PolarHBondContact O-N 3.33Å; A246-R250 VanDerWaalsContact O-N 3.14Å; K247-R250 PolarHBondContact O-N 3.5Å; V248-R250 PolarHBondContact O-N 2.85Å; R250-S252 VanDerWaalsContact C-N 3.34Å; R250-N254 VanDerWaalsContact O-CB 3.26Å; R250-N254 WeakPolarHBondContact O-CB 3.37Å; R250-N254 PolarHBondContact O-N 2.88Å; R250-Y282 HydrophobicContact CB-CD2 4.35Å; R250-Y282 HydrophobicContact CB-CE2 4.07Å; R250-N286 WeakPolarHBondContact CD-OD1 3.25Å; R250-N286 PolarHBondContact NH1-OD1 3.43Å
251	N	94.8	Very high	92.4	Very high	76 Å²	76	53 Å²	53	41%	0.406	28%	0.284	S	S	.	.	H	α-helix	trans	-69.4	-34.2	-179.4	-75.3	6.2	0	0	0	111.6	K247 V248 L249 I253 T255	K247-N251 WeakPolarHBondContact O-CB 3.39Å; K247-N251 VanDerWaalsContact O-CG 3.3Å; K247-N251 PolarHBondContact O-N 3.36Å; K247-N251 PolarHBondContact O-OD1 2.85Å; V248-N251 CarbonylContact O-C 3.43Å; V248-N251 PolarHBondContact O-N 3.26Å; V248-N251 VanDerWaalsContact O-N 3.14Å; L249-N251 VanDerWaalsContact C-N 3.3Å; L249-N251 PolarHBondContact O-N 3.44Å; N251-I253 VanDerWaalsContact C-N 3.27Å; N251-I253 PolarHBondContact O-N 2.84Å; N251-T255 WeakPolarHBondContact O-CG2 3.41Å; N251-T255 PolarHBondContact O-OG1 3.44Å
252	S	94.6	Very high	92.4	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.014	27%	0.272	C	S	.	.	H	α-helix	trans	-71.4	-22.8	179.8	67.1	0	0	0	0	113.3	V248 L249 R250 T258 D259	V248-S252 PolarHBondContact O-N 3.24Å; V248-S252 PolarHBondContact O-OG 2.66Å; L249-S252 WeakPolarHBondContact CA-OG 3.42Å; L249-S252 PolarHBondContact O-N 2.95Å; L249-S252 PolarHBondContact O-OG 3.32Å; R250-S252 VanDerWaalsContact C-N 3.34Å; S252-T258 CarbonylContact O-C 3.57Å; S252-T258 VanDerWaalsContact O-CA 3.31Å; S252-T258 WeakPolarHBondContact O-CA 3.33Å; S252-D259 PolarHBondContact O-N 3.49Å
253	I	92.3	Very high	92.4	Very high	9 Å²	9	50 Å²	50	5%	0.046	27%	0.265	C	S	.	.	H	α-helix	trans	-98.5	-38.4	-178.8	-66.2	174	0	0	0	111.7	L249 N251 L263 Y282 L290 A293 I294 E297	L249-I253 WeakPolarHBondContact O-CG1 3.22Å; L249-I253 PolarHBondContact O-N 2.92Å; N251-I253 VanDerWaalsContact C-N 3.27Å; N251-I253 PolarHBondContact O-N 2.84Å; I253-L263 HydrophobicContact CD1-CD1 4.22Å; I253-L263 HydrophobicContact CG1-CD1 4.36Å; I253-Y282 HydrophobicContact CD1-CE2 4.27Å; I253-L290 HydrophobicContact CD1-CD1 3.65Å; I253-A293 HydrophobicContact CD1-CB 4.02Å; I253-A293 HydrophobicContact CG2-CB 4.13Å; I253-I294 HydrophobicContact CD1-CG1 4.4Å; I253-E297 HydrophobicContact CG2-CG 3.86Å
254	N	84.7	Confident	92.4	Very high	96 Å²	96	43.4 Å²	43.4	51%	0.513	24%	0.24	S	C	.	.	H	α-helix	trans	-94.7	2.7	-169.9	-63.9	-9	0	0	0	114.4	R250	R250-N254 VanDerWaalsContact O-CB 3.26Å; R250-N254 WeakPolarHBondContact O-CB 3.37Å; R250-N254 PolarHBondContact O-N 2.88Å
255	T	78.3	Confident	92.4	Very high	81 Å²	81	43.1 Å²	43.1	50%	0.497	24%	0.239	S	C	.	.	S	Bend	trans	-79.8	171.7	171	45.9	0	0	0	0	111	N251 G257	N251-T255 WeakPolarHBondContact O-CG2 3.41Å; N251-T255 PolarHBondContact O-OG1 3.44Å; T255-G257 CarbonylContact C-O 3.38Å; T255-G257 PolarHBondContact O-N 3.05Å; T255-G257 VanDerWaalsContact O-N 3.1Å; T255-G257 PolarHBondContact OG1-O 2.72Å
256	V	78.1	Confident	92.4	Very high	161 Å²	161	43.1 Å²	43.1	98%	0.976	24%	0.239	S	C	*	.	S	Bend	trans	-64.3	113.6	170.3	178	0	0	0	0	107.9
257	G	79	Confident	92.5	Very high	51 Å²	51	43.1 Å²	43.1	53%	0.526	24%	0.239	S	C	.	.	S	Bend	trans	76.3	169.3	-168.8	0	0	0	0	0	113	T255	T255-G257 CarbonylContact C-O 3.38Å; T255-G257 PolarHBondContact O-N 3.05Å; T255-G257 VanDerWaalsContact O-N 3.1Å; T255-G257 PolarHBondContact OG1-O 2.72Å
258	T	85.1	Confident	92.5	Very high	26 Å²	26	39.1 Å²	39.1	16%	0.16	22%	0.221	C	C	.	.			trans	-95.1	134.9	176.8	-55.1	0	0	0	0	109.2	S252 E260 L263	S252-T258 CarbonylContact O-C 3.57Å; S252-T258 VanDerWaalsContact O-CA 3.31Å; S252-T258 WeakPolarHBondContact O-CA 3.33Å; T258-E260 HydrophobicContact CG2-CG 3.96Å; T258-E260 PolarHBondContact O-N 2.9Å; T258-L263 HydrophobicContact CG2-CD2 4.05Å
259	D	92.7	Very high	92.5	Very high	68 Å²	68	38.6 Å²	38.6	36%	0.364	22%	0.219	S	C	.	.			trans	-88	85.4	166.6	179.7	-11.7	0	0	0	108.1	S252 D261 A262 L263	S252-D259 PolarHBondContact O-N 3.49Å; D259-D261 PolarHBondContact O-N 3.49Å; D259-D261 PolarHBondContact OD1-N 3.02Å; D259-A262 HydrophobicContact CB-CB 4.13Å; D259-A262 VanDerWaalsContact CG-CB 3.42Å; D259-A262 PolarHBondContact O-N 2.48Å; D259-A262 WeakPolarHBondContact OD1-CB 3.48Å; D259-A262 PolarHBondContact OD1-N 3.05Å; D259-A262 WeakPolarHBondContact OD2-CB 3.43Å; D259-L263 WeakPolarHBondContact O-CB 3.22Å; D259-L263 PolarHBondContact O-N 3.41Å
260	E	94.9	Very high	92.5	Very high	53 Å²	53	39.8 Å²	39.8	25%	0.248	22%	0.223	C	C	.	.	H	α-helix	trans	-65.9	-26.1	-176.3	-64.1	93.8	166.1	0	0	113	N71 T258 L263 N264 Y302	N71-E260 HydrophobicContact CB-CB 4.38Å; N71-E260 HydrophobicContact CB-CG 4.45Å; N71-E260 VanDerWaalsContact ND2-CD 3.32Å; N71-E260 VanDerWaalsContact ND2-CG 3.28Å; N71-E260 WeakPolarHBondContact ND2-CG 3.4Å; N71-E260 PolarHBondContact ND2-OE1 3.28Å; T258-E260 HydrophobicContact CG2-CG 3.96Å; T258-E260 PolarHBondContact O-N 2.9Å; E260-L263 PolarHBondContact O-N 3.05Å; E260-N264 WeakPolarHBondContact O-CB 3.27Å; E260-N264 PolarHBondContact O-N 2.78Å; E260-N264 PolarHBondContact O-ND2 2.93Å; E260-N264 PolarHBondContact O-OD1 3.23Å; E260-Y302 HydrophobicContact CB-CE1 4.36Å; E260-Y302 WeakPolarHBondContact CB-OH 3.35Å; E260-Y302 HydrophobicContact CG-CE1 3.78Å
261	D	95.1	Very high	92.7	Very high	56 Å²	56	34.9 Å²	34.9	30%	0.299	21%	0.205	S	C	.	.	H	α-helix	trans	-66.9	-42.7	175	-75.4	-32.3	0	0	0	111	R74 D259 R265	R74-D261 IonicContact CZ-OD1 2.71Å; R74-D261 IonicContact NE-OD1 3.29Å; R74-D261 VanDerWaalsContact NH1-CG 3.31Å; R74-D261 IonicContact NH1-OD1 3.41Å; R74-D261 PolarHBondContact NH1-OD1 3.18Å; R74-D261 IonicContact NH1-OD2 2.67Å; R74-D261 PolarHBondContact NH1-OD2 3.37Å; D259-D261 PolarHBondContact O-N 3.49Å; D259-D261 PolarHBondContact OD1-N 3.02Å; D261-R265 WeakPolarHBondContact O-CB 3.05Å; D261-R265 PolarHBondContact O-N 3.12Å
262	A	96.7	Very high	92.7	Very high	4 Å²	4	33.5 Å²	33.5	3%	0.033	20%	0.196	C	C	.	.	H	α-helix	trans	-67.6	-41.9	172.9	0	0	0	0	0	112.6	V248 D259 V266	V248-A262 HydrophobicContact CG1-CB 4.01Å; D259-A262 HydrophobicContact CB-CB 4.13Å; D259-A262 VanDerWaalsContact CG-CB 3.42Å; D259-A262 PolarHBondContact O-N 2.48Å; D259-A262 WeakPolarHBondContact OD1-CB 3.48Å; D259-A262 PolarHBondContact OD1-N 3.05Å; D259-A262 WeakPolarHBondContact OD2-CB 3.43Å; A262-V266 WeakPolarHBondContact O-CG2 3.44Å; A262-V266 PolarHBondContact O-N 3.12Å; A262-V266 VanDerWaalsContact O-N 3.09Å
263	L	96.9	Very high	92.8	Very high	1 Å²	1	38 Å²	38	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-61	-50.6	177.9	-172.7	59.4	0	0	0	111.1	L249 I253 T258 D259 E260 V266 I267 I294 T298 L306	L249-L263 HydrophobicContact CD2-CD1 3.65Å; I253-L263 HydrophobicContact CD1-CD1 4.22Å; I253-L263 HydrophobicContact CG1-CD1 4.36Å; T258-L263 HydrophobicContact CG2-CD2 4.05Å; D259-L263 WeakPolarHBondContact O-CB 3.22Å; D259-L263 PolarHBondContact O-N 3.41Å; E260-L263 PolarHBondContact O-N 3.05Å; L263-V266 PolarHBondContact O-N 3.45Å; L263-I267 HydrophobicContact CD1-CD1 3.59Å; L263-I267 HydrophobicContact CD1-CG1 4.37Å; L263-I267 HydrophobicContact CG-CD1 3.92Å; L263-I267 WeakPolarHBondContact O-CG1 3.39Å; L263-I267 PolarHBondContact O-N 2.62Å; L263-I294 HydrophobicContact CD1-CD1 4.32Å; L263-I294 HydrophobicContact CD1-CG1 4.22Å; L263-I294 HydrophobicContact CD2-CG1 4.39Å; L263-T298 HydrophobicContact CD2-CG2 4.11Å; L263-L306 HydrophobicContact CD2-CD1 3.69Å; L263-L306 HydrophobicContact CG-CD1 4Å
264	N	97.6	Very high	93	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-57.7	-53.9	176.7	-74.1	-7.5	0	0	0	111	N71 L78 E260 V266 I267 V268 Y302	N71-N264 PolarHBondContact O-ND2 3.46Å; L78-N264 HydrophobicContact CD1-CB 4.33Å; E260-N264 WeakPolarHBondContact O-CB 3.27Å; E260-N264 PolarHBondContact O-N 2.78Å; E260-N264 PolarHBondContact O-ND2 2.93Å; E260-N264 PolarHBondContact O-OD1 3.23Å; N264-V266 VanDerWaalsContact C-N 3.3Å; N264-V266 PolarHBondContact O-N 3.32Å; N264-I267 PolarHBondContact O-N 2.75Å; N264-V268 WeakPolarHBondContact O-CB 3.44Å; N264-V268 WeakPolarHBondContact O-CG2 3.43Å; N264-V268 PolarHBondContact O-N 3.33Å; N264-Y302 WeakPolarHBondContact OD1-CE2 3.37Å; N264-Y302 VanDerWaalsContact OD1-CZ 3.26Å; N264-Y302 PolarHBondContact OD1-OH 2.9Å
265	R	97.7	Very high	93.6	Very high	14 Å²	14	33.8 Å²	33.8	5%	0.053	19%	0.193	C	C	.	.	H	α-helix	trans	-53.7	-48.6	-177.6	-178.4	-179.9	72.2	-110.4	9.1	111.5	L90 E107 D261 T269	L90-R265 HydrophobicContact CD1-CG 3.96Å; L90-R265 HydrophobicContact CD2-CB 4.36Å; L90-R265 HydrophobicContact CD2-CG 4.11Å; E107-R265 IonicContact OE1-CZ 3.59Å; E107-R265 IonicContact OE1-NH2 3.92Å; E107-R265 PolarHBondContact OE1-NH2 2.93Å; E107-R265 IonicContact OE2-CZ 3.74Å; E107-R265 IonicContact OE2-NE 3.62Å; E107-R265 PolarHBondContact OE2-NE 3.42Å; E107-R265 IonicContact OE2-NH2 2.92Å; E107-R265 PolarHBondContact OE2-NH2 2.86Å; E107-R265 VanDerWaalsContact OE2-NH2 3.14Å; D261-R265 WeakPolarHBondContact O-CB 3.05Å; D261-R265 PolarHBondContact O-N 3.12Å; R265-T269 HydrophobicContact CG-CG2 4.5Å; R265-T269 VanDerWaalsContact O-CB 3.25Å; R265-T269 WeakPolarHBondContact O-CB 3.32Å; R265-T269 WeakPolarHBondContact O-CG2 2.93Å; R265-T269 PolarHBondContact O-N 3.13Å; R265-T269 VanDerWaalsContact O-N 3.1Å; R265-T269 PolarHBondContact O-OG1 3.33Å
266	V	98.3	Very high	94.5	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-71.9	-46	-176.2	-180	0	0	0	0	111.6	Y245 V248 L249 A262 L263 N264 R270	Y245-V266 HydrophobicContact CD1-CB 4.37Å; Y245-V266 HydrophobicContact CD1-CG1 3.93Å; Y245-V266 HydrophobicContact CD1-CG2 3.63Å; Y245-V266 HydrophobicContact CE1-CG2 4.16Å; Y245-V266 HydrophobicContact CG-CG1 4.05Å; V248-V266 HydrophobicContact CB-CG2 4.07Å; V248-V266 HydrophobicContact CG1-CG2 3.6Å; L249-V266 HydrophobicContact CD1-CG1 3.78Å; L249-V266 HydrophobicContact CD2-CB 3.82Å; L249-V266 HydrophobicContact CD2-CG1 3.9Å; L249-V266 HydrophobicContact CG-CB 4.07Å; L249-V266 HydrophobicContact CG-CG1 3.7Å; A262-V266 WeakPolarHBondContact O-CG2 3.44Å; A262-V266 PolarHBondContact O-N 3.12Å; A262-V266 VanDerWaalsContact O-N 3.09Å; L263-V266 PolarHBondContact O-N 3.45Å; N264-V266 VanDerWaalsContact C-N 3.3Å; N264-V266 PolarHBondContact O-N 3.32Å; V266-R270 HydrophobicContact CG1-CG 4.27Å; V266-R270 WeakPolarHBondContact O-CB 3.22Å; V266-R270 WeakPolarHBondContact O-CG 3.46Å; V266-R270 PolarHBondContact O-N 3.23Å
267	I	98.2	Very high	95.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63.9	-52.4	-178.9	-67.1	171.9	0	0	0	110	L249 L263 N264 T269 R270 A271 L275 I294 L306 L309	L249-I267 HydrophobicContact CD2-CG1 4.21Å; L263-I267 HydrophobicContact CD1-CD1 3.59Å; L263-I267 HydrophobicContact CD1-CG1 4.37Å; L263-I267 HydrophobicContact CG-CD1 3.92Å; L263-I267 WeakPolarHBondContact O-CG1 3.39Å; L263-I267 PolarHBondContact O-N 2.62Å; N264-I267 PolarHBondContact O-N 2.75Å; I267-T269 PolarHBondContact O-N 2.82Å; I267-R270 PolarHBondContact O-N 3.4Å; I267-A271 VanDerWaalsContact O-CB 3.27Å; I267-A271 WeakPolarHBondContact O-CB 3.44Å; I267-A271 PolarHBondContact O-N 2.86Å; I267-L275 HydrophobicContact CB-CD2 4.43Å; I267-L275 HydrophobicContact CG2-CD2 3.99Å; I267-I294 HydrophobicContact CD1-CD1 3.49Å; I267-I294 VanDerWaalsContact CD1-CD1 3.49Å; I267-L306 HydrophobicContact CB-CD2 4.45Å; I267-L306 HydrophobicContact CD1-CB 4.4Å; I267-L306 HydrophobicContact CD1-CD1 4.13Å; I267-L306 HydrophobicContact CD1-CD2 3.99Å; I267-L306 HydrophobicContact CD1-CG 4.41Å; I267-L306 HydrophobicContact CG2-CD2 4.23Å; I267-L309 HydrophobicContact CG2-CB 3.76Å; I267-L309 HydrophobicContact CG2-CD1 3.86Å; I267-L309 HydrophobicContact CG2-CG 4.47Å
268	V	97.9	Very high	96.4	Very high	1 Å²	1	26 Å²	26	1%	0.006	13%	0.132	C	C	.	.	H	α-helix	trans	-63.5	-42	-174.9	174.1	0	0	0	0	112.1	L78 W79 R86 N264 R270 L309	L78-V268 HydrophobicContact CB-CG1 3.84Å; L78-V268 WeakPolarHBondContact O-CG1 3.34Å; W79-V268 HydrophobicContact CB-CG1 3.97Å; W79-V268 HydrophobicContact CE3-CG1 3.93Å; W79-V268 WeakPolarHBondContact CZ3-O 3.29Å; R86-V268 PolarHBondContact NH1-O 3.37Å; R86-V268 VanDerWaalsContact NH1-O 3.16Å; N264-V268 WeakPolarHBondContact O-CB 3.44Å; N264-V268 WeakPolarHBondContact O-CG2 3.43Å; N264-V268 PolarHBondContact O-N 3.33Å; V268-R270 VanDerWaalsContact C-N 3.34Å; V268-R270 PolarHBondContact O-N 2.96Å; V268-L309 HydrophobicContact CG2-CD1 3.92Å
269	T	97.5	Very high	97	Very high	8 Å²	8	26.1 Å²	26.1	5%	0.049	13%	0.132	C	C	.	.	H	α-helix	trans	-77.5	-20.4	-178	62.5	0	0	0	0	113.5	L90 R265 I267	L90-T269 HydrophobicContact CD1-CG2 4.05Å; R265-T269 HydrophobicContact CG-CG2 4.5Å; R265-T269 VanDerWaalsContact O-CB 3.25Å; R265-T269 WeakPolarHBondContact O-CB 3.32Å; R265-T269 WeakPolarHBondContact O-CG2 2.93Å; R265-T269 PolarHBondContact O-N 3.13Å; R265-T269 VanDerWaalsContact O-N 3.1Å; R265-T269 PolarHBondContact O-OG1 3.33Å; I267-T269 PolarHBondContact O-N 2.82Å
270	R	97.8	Very high	97.2	Very high	25 Å²	25	24.7 Å²	24.7	9%	0.094	13%	0.134	C	C	.	.	H	α-helix	trans	-111	-13.8	-172.7	-52	-49.8	-62.6	-176.2	-5.5	114.4	Y245 V266 I267 V268 E272 K273 D274 L275 I278	Y245-R270 HydrophobicContact CD2-CG 4.1Å; Y245-R270 HydrophobicContact CE2-CG 4.1Å; V266-R270 HydrophobicContact CG1-CG 4.27Å; V266-R270 WeakPolarHBondContact O-CB 3.22Å; V266-R270 WeakPolarHBondContact O-CG 3.46Å; V266-R270 PolarHBondContact O-N 3.23Å; I267-R270 PolarHBondContact O-N 3.4Å; V268-R270 VanDerWaalsContact C-N 3.34Å; V268-R270 PolarHBondContact O-N 2.96Å; R270-E272 PolarHBondContact O-N 3.07Å; R270-E272 VanDerWaalsContact O-N 3.09Å; R270-K273 PolarHBondContact O-N 3.38Å; R270-D274 IonicContact CZ-OD1 3.34Å; R270-D274 IonicContact CZ-OD2 3.14Å; R270-D274 IonicContact NE-OD1 2.7Å; R270-D274 PolarHBondContact NE-OD1 3.49Å; R270-D274 IonicContact NE-OD2 3.93Å; R270-D274 IonicContact NH2-OD1 2.62Å; R270-D274 PolarHBondContact NH2-OD1 3.26Å; R270-D274 IonicContact NH2-OD2 3.53Å; R270-D274 PolarHBondContact NH2-OD2 3.21Å; R270-D274 PolarHBondContact O-N 3.02Å; R270-L275 HydrophobicContact CB-CB 4.2Å; R270-L275 HydrophobicContact CB-CD1 4.42Å; R270-L275 WeakPolarHBondContact O-CB 3.21Å; R270-L275 PolarHBondContact O-N 3.02Å; R270-L275 VanDerWaalsContact O-N 3.13Å; R270-I278 HydrophobicContact CB-CD1 3.76Å; R270-I278 HydrophobicContact CG-CD1 3.72Å
271	A	97.6	Very high	97.3	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-33.2	-177.8	0	0	0	0	0	113.7	A2 T3 I4 W79 I267 L275 L309	A2-A271 CarbonylContact C-O 3.59Å; A2-A271 VanDerWaalsContact CA-O 3.29Å; A2-A271 WeakPolarHBondContact CA-O 3.22Å; A2-A271 WeakPolarHBondContact CB-O 3.48Å; T3-A271 PolarHBondContact N-O 3.13Å; T3-A271 PolarHBondContact OG1-O 3.33Å; I4-A271 PolarHBondContact N-O 3.41Å; W79-A271 HydrophobicContact CH2-CB 3.91Å; W79-A271 HydrophobicContact CZ3-CB 3.87Å; I267-A271 VanDerWaalsContact O-CB 3.27Å; I267-A271 WeakPolarHBondContact O-CB 3.44Å; I267-A271 PolarHBondContact O-N 2.86Å; A271-L275 HydrophobicContact CB-CD2 4.04Å; A271-L309 HydrophobicContact CB-CB 4.3Å
272	E	96.3	Very high	97.4	Very high	47 Å²	47	22.5 Å²	22.5	22%	0.22	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	2.8	-179.6	-47.7	-169.6	112.1	0	0	113.7	I4 N41 L42 R45 W79 R270	I4-E272 HydrophobicContact CG2-CB 4.46Å; I4-E272 HydrophobicContact CG2-CG 3.95Å; N41-E272 VanDerWaalsContact C-OE1 3.26Å; N41-E272 WeakPolarHBondContact CA-OE1 3.41Å; L42-E272 WeakPolarHBondContact CB-OE2 3.39Å; L42-E272 PolarHBondContact N-OE1 3.43Å; R45-E272 IonicContact CZ-OE1 3.64Å; R45-E272 IonicContact CZ-OE2 2.9Å; R45-E272 IonicContact NH1-OE1 2.86Å; R45-E272 PolarHBondContact NH1-OE1 3.04Å; R45-E272 IonicContact NH1-OE2 3.4Å; R45-E272 IonicContact NH2-OE1 2.78Å; R45-E272 IonicContact NH2-OE2 2.72Å; R45-E272 PolarHBondContact NH2-OE2 3.43Å; W79-E272 HydrophobicContact CH2-CG 3.37Å; W79-E272 HydrophobicContact CZ2-CG 4.48Å; W79-E272 HydrophobicContact CZ3-CG 3.71Å; R270-E272 PolarHBondContact O-N 3.07Å; R270-E272 VanDerWaalsContact O-N 3.09Å
273	K	96	Very high	97.5	Very high	95 Å²	95	27.5 Å²	27.5	41%	0.413	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.9	-81.4	-171.9	-60.9	-173	176.7	-167.8	0	111.2	M1 A2 R270	M1-K273 CarbonylContact C-O 3.56Å; M1-K273 WeakPolarHBondContact CA-O 3.35Å; M1-K273 PolarHBondContact N-O 2.55Å; M1-K273 VanDerWaalsContact N-O 3.14Å; A2-K273 PolarHBondContact N-O 2.82Å; R270-K273 PolarHBondContact O-N 3.38Å
274	D	96.7	Very high	97.5	Very high	18 Å²	18	35.6 Å²	35.6	10%	0.096	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.8	17.1	-168.5	68.2	-17.5	0	0	0	113.7	M1 T242 R270 T276 N277 I278	M1-D274 CarbonylContact O-C 3.53Å; M1-D274 WeakPolarHBondContact O-CA 3.18Å; T242-D274 PolarHBondContact OG1-OD2 3.03Å; R270-D274 IonicContact CZ-OD1 3.34Å; R270-D274 IonicContact CZ-OD2 3.14Å; R270-D274 IonicContact NE-OD1 2.7Å; R270-D274 PolarHBondContact NE-OD1 3.49Å; R270-D274 IonicContact NE-OD2 3.93Å; R270-D274 IonicContact NH2-OD1 2.62Å; R270-D274 PolarHBondContact NH2-OD1 3.26Å; R270-D274 IonicContact NH2-OD2 3.53Å; R270-D274 PolarHBondContact NH2-OD2 3.21Å; R270-D274 PolarHBondContact O-N 3.02Å; D274-T276 PolarHBondContact O-N 3.03Å; D274-T276 VanDerWaalsContact O-N 3.12Å; D274-N277 WeakPolarHBondContact O-CB 3.24Å; D274-N277 PolarHBondContact O-N 2.63Å; D274-I278 PolarHBondContact O-N 2.78Å; D274-I278 VanDerWaalsContact O-N 3.09Å; D274-I278 WeakPolarHBondContact OD1-CD1 3.45Å
275	L	97.9	Very high	97.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-55.9	-32.2	-179.2	-170.5	55.2	0	0	0	112.6	M1 T3 I267 R270 A271 N277 I278 T279 L310	M1-L275 PolarHBondContact O-N 3.41Å; T3-L275 HydrophobicContact CG2-CB 3.9Å; T3-L275 HydrophobicContact CG2-CD2 4.44Å; T3-L275 HydrophobicContact CG2-CG 4.05Å; T3-L275 WeakPolarHBondContact OG1-CD2 3.33Å; I267-L275 HydrophobicContact CB-CD2 4.43Å; I267-L275 HydrophobicContact CG2-CD2 3.99Å; R270-L275 HydrophobicContact CB-CB 4.2Å; R270-L275 HydrophobicContact CB-CD1 4.42Å; R270-L275 WeakPolarHBondContact O-CB 3.21Å; R270-L275 PolarHBondContact O-N 3.02Å; R270-L275 VanDerWaalsContact O-N 3.13Å; A271-L275 HydrophobicContact CB-CD2 4.04Å; L275-N277 VanDerWaalsContact C-N 3.31Å; L275-N277 PolarHBondContact O-N 2.96Å; L275-I278 HydrophobicContact CD1-CB 4.22Å; L275-I278 HydrophobicContact CD1-CD1 4.45Å; L275-I278 HydrophobicContact CD1-CG2 4.34Å; L275-I278 WeakPolarHBondContact O-CB 3.26Å; L275-I278 PolarHBondContact O-N 3.37Å; L275-T279 HydrophobicContact CD1-CG2 4.22Å; L275-T279 HydrophobicContact CG-CG2 4.18Å; L275-T279 WeakPolarHBondContact O-CG2 3.28Å; L275-T279 PolarHBondContact O-N 2.99Å; L275-T279 PolarHBondContact O-OG1 3Å; L275-L310 HydrophobicContact CD2-CD2 3.62Å; L275-L310 HydrophobicContact CG-CD2 3.95Å
276	T	97.6	Very high	97.1	Very high	43 Å²	43	40.5 Å²	40.5	26%	0.264	20%	0.201	S	C	.	.	H	α-helix	trans	-61.4	-38	173.9	-50.9	0	0	0	0	112.6	M1 A2 T3 D274 T279 G280	M1-T276 HydrophobicContact CE-CG2 4.02Å; M1-T276 WeakPolarHBondContact O-CB 3.46Å; M1-T276 PolarHBondContact O-N 3.1Å; M1-T276 PolarHBondContact O-OG1 3.4Å; M1-T276 VanDerWaalsContact O-OG1 3.08Å; A2-T276 PolarHBondContact O-OG1 3.22Å; A2-T276 VanDerWaalsContact O-OG1 3.07Å; T3-T276 VanDerWaalsContact CG2-OG1 3.24Å; T3-T276 WeakPolarHBondContact CG2-OG1 3.1Å; D274-T276 PolarHBondContact O-N 3.03Å; D274-T276 VanDerWaalsContact O-N 3.12Å; T276-T279 WeakPolarHBondContact CA-OG1 3.31Å; T276-T279 PolarHBondContact O-OG1 3.32Å; T276-G280 PolarHBondContact O-N 3.19Å; T276-G280 VanDerWaalsContact O-N 3.13Å
277	N	97.8	Very high	96.9	Very high	85 Å²	85	47 Å²	47	46%	0.455	24%	0.235	S	C	.	.	H	α-helix	trans	-73.7	-36.6	177.7	-64.6	-10.5	0	0	0	110.5	T242 D274 L275 L281	T242-N277 HydrophobicContact CG2-CB 3.71Å; D274-N277 WeakPolarHBondContact O-CB 3.24Å; D274-N277 PolarHBondContact O-N 2.63Å; L275-N277 VanDerWaalsContact C-N 3.31Å; L275-N277 PolarHBondContact O-N 2.96Å; N277-L281 PolarHBondContact O-N 3.11Å; N277-L281 VanDerWaalsContact O-N 3.1Å
278	I	98.2	Very high	96.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-64.2	-46.2	176.7	-63.1	171.2	0	0	0	110.4	T242 Y245 A246 L249 R270 D274 L275 L281 Y282	T242-I278 HydrophobicContact CG2-CB 4.24Å; T242-I278 HydrophobicContact CG2-CG1 3.5Å; T242-I278 VanDerWaalsContact CG2-CG1 3.5Å; Y245-I278 HydrophobicContact CD2-CD1 3.99Å; Y245-I278 HydrophobicContact CG-CD1 4.21Å; A246-I278 HydrophobicContact CB-CG2 4.15Å; L249-I278 HydrophobicContact CD1-CG2 3.49Å; L249-I278 VanDerWaalsContact CD1-CG2 3.49Å; R270-I278 HydrophobicContact CB-CD1 3.76Å; R270-I278 HydrophobicContact CG-CD1 3.72Å; D274-I278 PolarHBondContact O-N 2.78Å; D274-I278 VanDerWaalsContact O-N 3.09Å; D274-I278 WeakPolarHBondContact OD1-CD1 3.45Å; L275-I278 HydrophobicContact CD1-CB 4.22Å; L275-I278 HydrophobicContact CD1-CD1 4.45Å; L275-I278 HydrophobicContact CD1-CG2 4.34Å; L275-I278 WeakPolarHBondContact O-CB 3.26Å; L275-I278 PolarHBondContact O-N 3.37Å; I278-L281 PolarHBondContact O-N 3.09Å; I278-Y282 WeakPolarHBondContact O-CB 3.33Å; I278-Y282 PolarHBondContact O-N 3.48Å
279	T	97.3	Very high	96.7	Very high	29 Å²	29	50.8 Å²	50.8	18%	0.178	26%	0.26	C	S	.	.	H	α-helix	trans	-64.5	-40.3	178.7	57.9	0	0	0	0	111.4	L275 T276 L281 Y282 F283 L290 L310	L275-T279 HydrophobicContact CD1-CG2 4.22Å; L275-T279 HydrophobicContact CG-CG2 4.18Å; L275-T279 WeakPolarHBondContact O-CG2 3.28Å; L275-T279 PolarHBondContact O-N 2.99Å; L275-T279 PolarHBondContact O-OG1 3Å; T276-T279 WeakPolarHBondContact CA-OG1 3.31Å; T276-T279 PolarHBondContact O-OG1 3.32Å; T279-L281 PolarHBondContact O-N 3.28Å; T279-Y282 WeakPolarHBondContact O-CB 3.43Å; T279-Y282 PolarHBondContact O-N 2.93Å; T279-F283 WeakPolarHBondContact O-CB 3.33Å; T279-F283 PolarHBondContact O-N 3.43Å; T279-L290 HydrophobicContact CG2-CB 4.05Å; T279-L290 HydrophobicContact CG2-CD2 3.63Å; T279-L290 HydrophobicContact CG2-CG 4.48Å; T279-L310 HydrophobicContact CG2-CD2 3.82Å
280	G	97.2	Very high	96.7	Very high	39 Å²	39	50.5 Å²	50.5	40%	0.402	26%	0.257	S	S	.	.	H	α-helix	trans	-60	-43	173.4	0	0	0	0	0	113.2	T276 K284	T276-G280 PolarHBondContact O-N 3.19Å; T276-G280 VanDerWaalsContact O-N 3.13Å; G280-K284 WeakPolarHBondContact O-CB 3.28Å; G280-K284 PolarHBondContact O-N 2.86Å; G280-K284 VanDerWaalsContact O-N 3.08Å
281	L	97.4	Very high	96.6	Very high	58 Å²	58	51.6 Å²	51.6	30%	0.304	27%	0.265	S	S	.	.	H	α-helix	trans	-69.5	-34.1	175	-73.8	-178.2	0	0	0	113.1	T242 R243 A246 N277 I278 T279 R285	T242-L281 HydrophobicContact CG2-CD1 3.72Å; R243-L281 HydrophobicContact CB-CD1 4.25Å; A246-L281 HydrophobicContact CB-CB 3.92Å; N277-L281 PolarHBondContact O-N 3.11Å; N277-L281 VanDerWaalsContact O-N 3.1Å; I278-L281 PolarHBondContact O-N 3.09Å; T279-L281 PolarHBondContact O-N 3.28Å; L281-R285 WeakPolarHBondContact O-CG 2.98Å; L281-R285 PolarHBondContact O-N 2.93Å
282	Y	97.7	Very high	96.5	Very high	4 Å²	4	57 Å²	57	2%	0.016	29%	0.291	C	S	.	.	H	α-helix	trans	-61.9	-51.7	173.2	-179	-81.4	0	0	0	110.3	L249 R250 I253 I278 T279 K284 R285 N286 V288 L290 A293	L249-Y282 HydrophobicContact CB-CD2 3.91Å; L249-Y282 HydrophobicContact CB-CE2 4.07Å; R250-Y282 HydrophobicContact CB-CD2 4.35Å; R250-Y282 HydrophobicContact CB-CE2 4.07Å; I253-Y282 HydrophobicContact CD1-CE2 4.27Å; I278-Y282 WeakPolarHBondContact O-CB 3.33Å; I278-Y282 PolarHBondContact O-N 3.48Å; T279-Y282 WeakPolarHBondContact O-CB 3.43Å; T279-Y282 PolarHBondContact O-N 2.93Å; Y282-K284 PolarHBondContact O-N 2.67Å; Y282-R285 PolarHBondContact O-N 3.3Å; Y282-R285 VanDerWaalsContact O-N 3.08Å; Y282-N286 HydrophobicContact CD1-CB 4.48Å; Y282-N286 WeakPolarHBondContact CD2-ND2 3.18Å; Y282-N286 HydrophobicContact CE1-CB 4.17Å; Y282-N286 WeakPolarHBondContact CE1-ND2 3.45Å; Y282-N286 VanDerWaalsContact CE2-ND2 3.27Å; Y282-N286 WeakPolarHBondContact CE2-ND2 3.44Å; Y282-N286 VanDerWaalsContact CZ-ND2 3.28Å; Y282-N286 PolarHBondContact O-N 3.02Å; Y282-N286 VanDerWaalsContact O-N 3.09Å; Y282-N286 PolarHBondContact O-ND2 3.25Å; Y282-V288 WeakPolarHBondContact CD1-O 3.32Å; Y282-V288 WeakPolarHBondContact CE1-O 3.18Å; Y282-L290 HydrophobicContact CD1-CB 4.07Å; Y282-L290 HydrophobicContact CD1-CD1 4.34Å; Y282-L290 HydrophobicContact CD2-CD1 4.03Å; Y282-L290 HydrophobicContact CE1-CB 4.36Å; Y282-L290 HydrophobicContact CE1-CD1 4.18Å; Y282-L290 HydrophobicContact CE2-CD1 3.83Å; Y282-L290 HydrophobicContact CG-CB 4.4Å; Y282-L290 HydrophobicContact CG-CD1 4.28Å; Y282-A293 HydrophobicContact CE1-CB 4.34Å; Y282-A293 WeakPolarHBondContact OH-CB 3.41Å
283	F	97	Very high	96.5	Very high	110 Å²	110	55.1 Å²	55.1	48%	0.482	28%	0.283	S	S	.	.	H	α-helix	trans	-57.3	-49.9	179.6	178.1	-112.4	0	0	0	111.7	T279 R285 N286 N287	T279-F283 WeakPolarHBondContact O-CB 3.33Å; T279-F283 PolarHBondContact O-N 3.43Å; F283-R285 PolarHBondContact O-N 3.09Å; F283-N286 PolarHBondContact O-N 3.49Å; F283-N287 WeakPolarHBondContact O-CA 3.15Å; F283-N287 PolarHBondContact O-N 3.32Å
284	K	96.9	Very high	96.4	Very high	171 Å²	171	50.7 Å²	50.7	74%	0.743	26%	0.264	S	S	*	.	H	α-helix	trans	-54.9	-24.6	178.3	-176.8	172	-178.6	171.8	0	113.8	G280 Y282	G280-K284 WeakPolarHBondContact O-CB 3.28Å; G280-K284 PolarHBondContact O-N 2.86Å; G280-K284 VanDerWaalsContact O-N 3.08Å; Y282-K284 PolarHBondContact O-N 2.67Å
285	R	94.8	Very high	96.4	Very high	86 Å²	86	51.3 Å²	51.3	33%	0.325	27%	0.272	S	S	.	.	H	α-helix	trans	-99.2	-24	-176.9	-75.7	-177.7	166.9	-175.9	3.7	114.9	L281 Y282 F283	L281-R285 WeakPolarHBondContact O-CG 2.98Å; L281-R285 PolarHBondContact O-N 2.93Å; Y282-R285 PolarHBondContact O-N 3.3Å; Y282-R285 VanDerWaalsContact O-N 3.08Å; F283-R285 PolarHBondContact O-N 3.09Å
286	N	93.6	Very high	96.2	Very high	32 Å²	32	59 Å²	59	17%	0.171	31%	0.305	C	S	.	.	H	α-helix	trans	-117.6	-12.1	-170.5	-60.5	-40.3	0	0	0	112.5	R250 Y282 F283 V288	R250-N286 WeakPolarHBondContact CD-OD1 3.25Å; R250-N286 PolarHBondContact NH1-OD1 3.43Å; Y282-N286 HydrophobicContact CD1-CB 4.48Å; Y282-N286 WeakPolarHBondContact CD2-ND2 3.18Å; Y282-N286 HydrophobicContact CE1-CB 4.17Å; Y282-N286 WeakPolarHBondContact CE1-ND2 3.45Å; Y282-N286 VanDerWaalsContact CE2-ND2 3.27Å; Y282-N286 WeakPolarHBondContact CE2-ND2 3.44Å; Y282-N286 VanDerWaalsContact CZ-ND2 3.28Å; Y282-N286 PolarHBondContact O-N 3.02Å; Y282-N286 VanDerWaalsContact O-N 3.09Å; Y282-N286 PolarHBondContact O-ND2 3.25Å; F283-N286 PolarHBondContact O-N 3.49Å; N286-V288 PolarHBondContact O-N 3.39Å; N286-V288 VanDerWaalsContact O-N 3.1Å
287	N	94.1	Very high	96	Very high	135 Å²	135	60.6 Å²	60.6	72%	0.722	31%	0.31	S	S	*	.	S	Bend	trans	56.5	18.2	-174.8	-58.1	-37.3	0	0	0	114.3	F283	F283-N287 WeakPolarHBondContact O-CA 3.15Å; F283-N287 PolarHBondContact O-N 3.32Å
288	V	95.1	Very high	95.9	Very high	61 Å²	61	57.2 Å²	57.2	37%	0.37	29%	0.292	S	S	.	.	S	Bend	trans	-135.1	135.1	175.4	179.3	0	0	0	0	106.7	Y282 N286 Q292 A293	Y282-V288 WeakPolarHBondContact CD1-O 3.32Å; Y282-V288 WeakPolarHBondContact CE1-O 3.18Å; N286-V288 PolarHBondContact O-N 3.39Å; N286-V288 VanDerWaalsContact O-N 3.1Å; V288-Q292 HydrophobicContact CG1-CB 3.86Å; V288-A293 HydrophobicContact CG1-CB 4.39Å
289	S	96.4	Very high	95.7	Very high	21 Å²	21	61.8 Å²	61.8	15%	0.147	32%	0.324	C	S	.	.			trans	-69.7	157	179.7	69.2	0	0	0	0	110.5	D291 Q292 A293	S289-D291 VanDerWaalsContact C-N 3.33Å; S289-D291 WeakPolarHBondContact CB-OD1 3.22Å; S289-D291 PolarHBondContact OG-OD1 2.64Å; S289-D291 PolarHBondContact OG-OD2 3.48Å; S289-Q292 PolarHBondContact O-N 3.32Å; S289-Q292 WeakPolarHBondContact OG-CB 3.48Å; S289-Q292 VanDerWaalsContact OG-CD 3.26Å; S289-Q292 WeakPolarHBondContact OG-CG 3.27Å; S289-Q292 PolarHBondContact OG-N 3.17Å; S289-Q292 PolarHBondContact OG-OE1 3.38Å; S289-A293 PolarHBondContact O-N 3.03Å; S289-A293 VanDerWaalsContact O-N 3.08Å
290	L	96.8	Very high	95.7	Very high	1 Å²	1	63 Å²	63	1%	0.005	34%	0.342	C	S	.	.	H	α-helix	trans	-66.7	-39.6	-178.4	-178.1	63.9	0	0	0	111.2	L249 I253 T279 Y282 A293 I294 L310	L249-L290 HydrophobicContact CB-CD1 4.29Å; L249-L290 HydrophobicContact CD1-CD1 4.3Å; L249-L290 HydrophobicContact CD1-CD2 3.69Å; L249-L290 HydrophobicContact CD2-CD1 4.45Å; L249-L290 HydrophobicContact CD2-CD2 4.49Å; I253-L290 HydrophobicContact CD1-CD1 3.65Å; T279-L290 HydrophobicContact CG2-CB 4.05Å; T279-L290 HydrophobicContact CG2-CD2 3.63Å; T279-L290 HydrophobicContact CG2-CG 4.48Å; Y282-L290 HydrophobicContact CD1-CB 4.07Å; Y282-L290 HydrophobicContact CD1-CD1 4.34Å; Y282-L290 HydrophobicContact CD2-CD1 4.03Å; Y282-L290 HydrophobicContact CE1-CB 4.36Å; Y282-L290 HydrophobicContact CE1-CD1 4.18Å; Y282-L290 HydrophobicContact CE2-CD1 3.83Å; Y282-L290 HydrophobicContact CG-CB 4.4Å; Y282-L290 HydrophobicContact CG-CD1 4.28Å; L290-A293 PolarHBondContact O-N 3.5Å; L290-I294 HydrophobicContact CD1-CD1 4.13Å; L290-I294 HydrophobicContact CD1-CG1 4.39Å; L290-I294 HydrophobicContact CD2-CD1 4.36Å; L290-I294 HydrophobicContact CG-CD1 3.77Å; L290-I294 HydrophobicContact CG-CG1 4.45Å; L290-I294 WeakPolarHBondContact O-CG1 3.26Å; L290-I294 PolarHBondContact O-N 3.46Å; L290-L310 HydrophobicContact CD2-CD1 4.46Å; L290-L310 HydrophobicContact CD2-CD2 4.07Å; L290-L310 HydrophobicContact CG-CD1 4.41Å
291	D	95.8	Very high	95.7	Very high	48 Å²	48	63.5 Å²	63.5	26%	0.257	34%	0.335	S	S	.	.	H	α-helix	trans	-58.9	-45.3	174.9	50.6	-73.3	0	0	0	112.1	S289 I294 A295 L307 L310 H312	S289-D291 VanDerWaalsContact C-N 3.33Å; S289-D291 WeakPolarHBondContact CB-OD1 3.22Å; S289-D291 PolarHBondContact OG-OD1 2.64Å; S289-D291 PolarHBondContact OG-OD2 3.48Å; D291-I294 PolarHBondContact O-N 3.31Å; D291-A295 WeakPolarHBondContact O-CB 3.23Å; D291-A295 PolarHBondContact O-N 2.86Å; D291-L307 HydrophobicContact CB-CD2 3.91Å; D291-L310 HydrophobicContact CB-CD1 4.27Å; D291-H312 WeakPolarHBondContact CB-NE2 3.18Å
292	Q	95.8	Very high	95.7	Very high	114 Å²	114	61.5 Å²	61.5	53%	0.533	32%	0.324	S	S	.	.	H	α-helix	trans	-62.8	-43	175	-76	171.4	-4.9	0	0	112	V288 S289 A295 K296	V288-Q292 HydrophobicContact CG1-CB 3.86Å; S289-Q292 PolarHBondContact O-N 3.32Å; S289-Q292 WeakPolarHBondContact OG-CB 3.48Å; S289-Q292 VanDerWaalsContact OG-CD 3.26Å; S289-Q292 WeakPolarHBondContact OG-CG 3.27Å; S289-Q292 PolarHBondContact OG-N 3.17Å; S289-Q292 PolarHBondContact OG-OE1 3.38Å; Q292-A295 PolarHBondContact O-N 3.24Å; Q292-K296 WeakPolarHBondContact O-CB 3.48Å; Q292-K296 PolarHBondContact O-N 2.94Å; Q292-K296 VanDerWaalsContact O-N 3.1Å
293	A	95.6	Very high	95.7	Very high	8 Å²	8	64.6 Å²	64.6	7%	0.066	34%	0.337	C	S	.	.	H	α-helix	trans	-63.7	-46.1	178.8	0	0	0	0	0	111.3	I253 Y282 V288 S289 L290 K296 E297	I253-A293 HydrophobicContact CD1-CB 4.02Å; I253-A293 HydrophobicContact CG2-CB 4.13Å; Y282-A293 HydrophobicContact CE1-CB 4.34Å; Y282-A293 WeakPolarHBondContact OH-CB 3.41Å; V288-A293 HydrophobicContact CG1-CB 4.39Å; S289-A293 PolarHBondContact O-N 3.03Å; S289-A293 VanDerWaalsContact O-N 3.08Å; L290-A293 PolarHBondContact O-N 3.5Å; A293-K296 PolarHBondContact O-N 3.09Å; A293-E297 WeakPolarHBondContact O-CG 3.11Å; A293-E297 PolarHBondContact O-N 3.3Å
294	I	95.6	Very high	95.7	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-62.1	-45.8	175.1	-71.3	163.6	0	0	0	110.7	I253 L263 I267 L290 D291 K296 E297 T298 L306 L307 L310	I253-I294 HydrophobicContact CD1-CG1 4.4Å; L263-I294 HydrophobicContact CD1-CD1 4.32Å; L263-I294 HydrophobicContact CD1-CG1 4.22Å; L263-I294 HydrophobicContact CD2-CG1 4.39Å; I267-I294 HydrophobicContact CD1-CD1 3.49Å; I267-I294 VanDerWaalsContact CD1-CD1 3.49Å; L290-I294 HydrophobicContact CD1-CD1 4.13Å; L290-I294 HydrophobicContact CD1-CG1 4.39Å; L290-I294 HydrophobicContact CD2-CD1 4.36Å; L290-I294 HydrophobicContact CG-CD1 3.77Å; L290-I294 HydrophobicContact CG-CG1 4.45Å; L290-I294 WeakPolarHBondContact O-CG1 3.26Å; L290-I294 PolarHBondContact O-N 3.46Å; D291-I294 PolarHBondContact O-N 3.31Å; I294-K296 PolarHBondContact O-N 3.03Å; I294-K296 VanDerWaalsContact O-N 3.13Å; I294-E297 PolarHBondContact O-N 2.88Å; I294-T298 HydrophobicContact CG2-CG2 4.32Å; I294-T298 WeakPolarHBondContact CG2-OG1 3.49Å; I294-T298 WeakPolarHBondContact O-CB 3.29Å; I294-T298 PolarHBondContact O-N 3.36Å; I294-T298 PolarHBondContact O-OG1 3.37Å; I294-L306 HydrophobicContact CG2-CB 3.96Å; I294-L306 HydrophobicContact CG2-CD1 3.95Å; I294-L307 HydrophobicContact CG2-CD2 4.38Å; I294-L310 HydrophobicContact CD1-CD1 3.49Å; I294-L310 VanDerWaalsContact CD1-CD1 3.49Å
295	A	95.3	Very high	95.7	Very high	32 Å²	32	53 Å²	53	26%	0.264	29%	0.294	S	S	.	.	H	α-helix	trans	-61.4	-24	-179.1	0	0	0	0	0	113.2	D291 Q292 K303 L307	D291-A295 WeakPolarHBondContact O-CB 3.23Å; D291-A295 PolarHBondContact O-N 2.86Å; Q292-A295 PolarHBondContact O-N 3.24Å; A295-K303 HydrophobicContact CB-CD 4.5Å; A295-K303 WeakPolarHBondContact O-CE 3.5Å; A295-K303 PolarHBondContact O-NZ 3.34Å; A295-L307 HydrophobicContact CB-CD1 4.41Å
296	K	94.3	Very high	95.9	Very high	161 Å²	161	48.9 Å²	48.9	70%	0.7	28%	0.278	S	S	*	.	H	α-helix	trans	-87.1	-44.6	176.9	-175.7	-172.2	167.8	-124.4	0	112.6	Q292 A293 I294	Q292-K296 WeakPolarHBondContact O-CB 3.48Å; Q292-K296 PolarHBondContact O-N 2.94Å; Q292-K296 VanDerWaalsContact O-N 3.1Å; A293-K296 PolarHBondContact O-N 3.09Å; I294-K296 PolarHBondContact O-N 3.03Å; I294-K296 VanDerWaalsContact O-N 3.13Å
297	E	93.8	Very high	96.1	Very high	77 Å²	77	48.9 Å²	48.9	36%	0.36	28%	0.278	S	S	.	.	H	α-helix	trans	-92.1	-5.8	-171.7	-56.7	-56.9	147.4	0	0	113.8	I253 A293 I294	I253-E297 HydrophobicContact CG2-CG 3.86Å; A293-E297 WeakPolarHBondContact O-CG 3.11Å; A293-E297 PolarHBondContact O-N 3.3Å; I294-E297 PolarHBondContact O-N 2.88Å
298	T	94.4	Very high	96.2	Very high	14 Å²	14	42.5 Å²	42.5	9%	0.086	24%	0.244	C	C	.	.			trans	-127	163.2	177.5	69.5	0	0	0	0	111.4	L263 I294 Y302 K303	L263-T298 HydrophobicContact CD2-CG2 4.11Å; I294-T298 HydrophobicContact CG2-CG2 4.32Å; I294-T298 WeakPolarHBondContact CG2-OG1 3.49Å; I294-T298 WeakPolarHBondContact O-CB 3.29Å; I294-T298 PolarHBondContact O-N 3.36Å; I294-T298 PolarHBondContact O-OG1 3.37Å; T298-Y302 HydrophobicContact CG2-CD1 4.03Å; T298-Y302 HydrophobicContact CG2-CE1 3.66Å; T298-K303 WeakPolarHBondContact O-CD 3.33Å; T298-K303 WeakPolarHBondContact OG1-CA 3.29Å; T298-K303 VanDerWaalsContact OG1-CB 3.28Å; T298-K303 WeakPolarHBondContact OG1-CB 3.46Å
299	S	95.4	Very high	96.3	Very high	95 Å²	95	39.6 Å²	39.6	66%	0.664	23%	0.227	S	C	*	.			trans	-142.3	168.5	-177.5	59.1	0	0	0	0	112.5	K303	S299-K303 PolarHBondContact O-N 3.04Å
300	G	96.5	Very high	96.3	Very high	54 Å²	54	39.5 Å²	39.5	56%	0.557	23%	0.225	S	C	*	.	H	α-helix	trans	62.1	-151.5	173.6	0	0	0	0	0	114.4	Y302 K303 A304	G300-Y302 PolarHBondContact O-N 3.4Å; G300-K303 WeakPolarHBondContact O-CB 3.18Å; G300-K303 PolarHBondContact O-N 2.83Å; G300-K303 VanDerWaalsContact O-N 3.16Å; G300-A304 PolarHBondContact O-N 3.08Å; G300-A304 VanDerWaalsContact O-N 3.13Å
301	D	97.3	Very high	96.2	Very high	50 Å²	50	41.1 Å²	41.1	27%	0.267	24%	0.241	S	C	.	.	H	α-helix	trans	-64	-31.1	-177.5	-52.1	-59.7	0	0	0	112.1	E30 I34 F72 K303 A304 F305	E30-D301 HydrophobicContact CB-CB 3.91Å; E30-D301 HydrophobicContact CG-CB 4.27Å; I34-D301 HydrophobicContact CD1-CB 3.96Å; I34-D301 WeakPolarHBondContact CD1-O 3.47Å; F72-D301 HydrophobicContact CD1-CB 3.8Å; F72-D301 HydrophobicContact CD2-CB 4.35Å; F72-D301 HydrophobicContact CE1-CB 3.86Å; F72-D301 HydrophobicContact CE2-CB 4.41Å; F72-D301 HydrophobicContact CG-CB 4.07Å; F72-D301 HydrophobicContact CZ-CB 4.18Å; D301-K303 PolarHBondContact O-N 3.44Å; D301-A304 PolarHBondContact O-N 2.62Å; D301-F305 WeakPolarHBondContact O-CB 3.28Å; D301-F305 PolarHBondContact O-N 3.25Å
302	Y	97.9	Very high	96	Very high	17 Å²	17	42.8 Å²	42.8	7%	0.067	25%	0.247	C	C	.	.	H	α-helix	trans	-58.1	-50	173	179.8	-130.7	0	0	0	111.9	N71 A75 E260 N264 T298 G300 F305 L306	N71-Y302 HydrophobicContact CB-CD1 3.84Å; N71-Y302 HydrophobicContact CB-CD2 3.87Å; N71-Y302 HydrophobicContact CB-CE1 3.87Å; N71-Y302 HydrophobicContact CB-CE2 3.92Å; N71-Y302 HydrophobicContact CB-CG 3.83Å; A75-Y302 HydrophobicContact CB-CD2 4.41Å; A75-Y302 HydrophobicContact CB-CE2 4.09Å; E260-Y302 HydrophobicContact CB-CE1 4.36Å; E260-Y302 WeakPolarHBondContact CB-OH 3.35Å; E260-Y302 HydrophobicContact CG-CE1 3.78Å; N264-Y302 WeakPolarHBondContact OD1-CE2 3.37Å; N264-Y302 VanDerWaalsContact OD1-CZ 3.26Å; N264-Y302 PolarHBondContact OD1-OH 2.9Å; T298-Y302 HydrophobicContact CG2-CD1 4.03Å; T298-Y302 HydrophobicContact CG2-CE1 3.66Å; G300-Y302 PolarHBondContact O-N 3.4Å; Y302-F305 PolarHBondContact O-N 2.9Å; Y302-L306 HydrophobicContact CD2-CD1 4.42Å; Y302-L306 HydrophobicContact CD2-CG 4.24Å; Y302-L306 HydrophobicContact CE1-CD1 4.03Å; Y302-L306 HydrophobicContact CE2-CD1 3.73Å; Y302-L306 HydrophobicContact CE2-CD2 4.03Å; Y302-L306 HydrophobicContact CE2-CG 3.8Å; Y302-L306 WeakPolarHBondContact O-CG 3.41Å; Y302-L306 PolarHBondContact O-N 2.81Å; Y302-L306 VanDerWaalsContact O-N 3.09Å
303	K	97.2	Very high	95.1	Very high	68 Å²	68	40.5 Å²	40.5	30%	0.296	25%	0.254	S	S	.	.	H	α-helix	trans	-59.6	-48.3	175	171.2	176.3	161.8	172.4	0	111.2	A295 T298 S299 G300 D301 F305 L306 L307	A295-K303 HydrophobicContact CB-CD 4.5Å; A295-K303 WeakPolarHBondContact O-CE 3.5Å; A295-K303 PolarHBondContact O-NZ 3.34Å; T298-K303 WeakPolarHBondContact O-CD 3.33Å; T298-K303 WeakPolarHBondContact OG1-CA 3.29Å; T298-K303 VanDerWaalsContact OG1-CB 3.28Å; T298-K303 WeakPolarHBondContact OG1-CB 3.46Å; S299-K303 PolarHBondContact O-N 3.04Å; G300-K303 WeakPolarHBondContact O-CB 3.18Å; G300-K303 PolarHBondContact O-N 2.83Å; G300-K303 VanDerWaalsContact O-N 3.16Å; D301-K303 PolarHBondContact O-N 3.44Å; K303-F305 VanDerWaalsContact C-N 3.29Å; K303-F305 PolarHBondContact O-N 3.02Å; K303-L306 PolarHBondContact O-N 2.99Å; K303-L307 HydrophobicContact CG-CD1 3.85Å; K303-L307 HydrophobicContact CG-CG 4.4Å; K303-L307 WeakPolarHBondContact O-CB 3.23Å; K303-L307 VanDerWaalsContact O-CG 3.29Å; K303-L307 WeakPolarHBondContact O-CG 3.36Å; K303-L307 PolarHBondContact O-N 2.7Å
304	A	97.2	Very high	93.9	Very high	37 Å²	37	49.3 Å²	49.3	31%	0.306	29%	0.291	S	S	.	.	H	α-helix	trans	-59	-43	-177.8	0	0	0	0	0	111.5	I34 G300 D301 L307 A308	I34-A304 HydrophobicContact CD1-CB 3.95Å; G300-A304 PolarHBondContact O-N 3.08Å; G300-A304 VanDerWaalsContact O-N 3.13Å; D301-A304 PolarHBondContact O-N 2.62Å; A304-L307 PolarHBondContact O-N 3.11Å; A304-A308 PolarHBondContact O-N 2.73Å
305	F	98.1	Very high	92.6	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-65.7	-46.5	177.9	-178.5	-118.4	0	0	0	113.5	I34 F72 A75 I76 W79 D301 Y302 K303 L307 A308 L309	I34-F305 HydrophobicContact CD1-CB 4.17Å; I34-F305 HydrophobicContact CG1-CB 4.08Å; I34-F305 HydrophobicContact CG1-CD2 4.34Å; F72-F305 HydrophobicContact CD2-CB 3.96Å; F72-F305 HydrophobicContact CD2-CD1 4.48Å; F72-F305 HydrophobicContact CD2-CG 4.35Å; F72-F305 HydrophobicContact CE2-CB 3.68Å; F72-F305 HydrophobicContact CE2-CD1 4.45Å; F72-F305 AromaticContact CE2-CG 3.97Å; F72-F305 HydrophobicContact CE2-CG 3.97Å; A75-F305 HydrophobicContact CB-CD1 3.76Å; A75-F305 HydrophobicContact CB-CE1 3.72Å; I76-F305 HydrophobicContact CD1-CD1 4.09Å; I76-F305 HydrophobicContact CD1-CD2 3.47Å; I76-F305 VanDerWaalsContact CD1-CD2 3.47Å; I76-F305 HydrophobicContact CD1-CE1 3.91Å; I76-F305 HydrophobicContact CD1-CE2 3.27Å; I76-F305 HydrophobicContact CD1-CG 3.88Å; I76-F305 HydrophobicContact CD1-CZ 3.51Å; I76-F305 HydrophobicContact CG1-CD1 4.12Å; I76-F305 HydrophobicContact CG1-CD2 4.33Å; I76-F305 HydrophobicContact CG1-CE1 4.05Å; I76-F305 HydrophobicContact CG1-CE2 4.28Å; I76-F305 HydrophobicContact CG1-CG 4.25Å; I76-F305 HydrophobicContact CG1-CZ 4.14Å; W79-F305 HydrophobicContact CB-CE1 4.37Å; W79-F305 HydrophobicContact CB-CZ 3.74Å; W79-F305 AromaticContact CD1-CE2 4Å; W79-F305 AromaticContact CD1-CZ 3.67Å; W79-F305 AromaticContact CG-CZ 3.78Å; W79-F305 HydrophobicContact CG-CZ 3.78Å; D301-F305 WeakPolarHBondContact O-CB 3.28Å; D301-F305 PolarHBondContact O-N 3.25Å; Y302-F305 PolarHBondContact O-N 2.9Å; K303-F305 VanDerWaalsContact C-N 3.29Å; K303-F305 PolarHBondContact O-N 3.02Å; F305-L307 VanDerWaalsContact C-N 3.27Å; F305-L307 PolarHBondContact O-N 3.24Å; F305-A308 WeakPolarHBondContact O-CB 3.45Å; F305-A308 PolarHBondContact O-N 2.99Å; F305-A308 VanDerWaalsContact O-N 3.09Å; F305-L309 HydrophobicContact CD1-CD1 4.47Å; F305-L309 HydrophobicContact CE1-CD1 3.78Å; F305-L309 HydrophobicContact CE1-CG 4.34Å; F305-L309 HydrophobicContact CE2-CD1 4.4Å; F305-L309 HydrophobicContact CE2-CD2 4.07Å; F305-L309 HydrophobicContact CE2-CG 4.17Å; F305-L309 HydrophobicContact CZ-CD1 3.74Å; F305-L309 HydrophobicContact CZ-CD2 4.06Å; F305-L309 HydrophobicContact CZ-CG 4.01Å; F305-L309 PolarHBondContact O-N 2.91Å; F305-L309 VanDerWaalsContact O-N 3.07Å
306	L	97.8	Very high	90.8	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-61.4	-38.5	177.3	-68.6	-172.2	0	0	0	112.1	L263 I267 I294 Y302 K303 A308 L309 L310	L263-L306 HydrophobicContact CD2-CD1 3.69Å; L263-L306 HydrophobicContact CG-CD1 4Å; I267-L306 HydrophobicContact CB-CD2 4.45Å; I267-L306 HydrophobicContact CD1-CB 4.4Å; I267-L306 HydrophobicContact CD1-CD1 4.13Å; I267-L306 HydrophobicContact CD1-CD2 3.99Å; I267-L306 HydrophobicContact CD1-CG 4.41Å; I267-L306 HydrophobicContact CG2-CD2 4.23Å; I294-L306 HydrophobicContact CG2-CB 3.96Å; I294-L306 HydrophobicContact CG2-CD1 3.95Å; Y302-L306 HydrophobicContact CD2-CD1 4.42Å; Y302-L306 HydrophobicContact CD2-CG 4.24Å; Y302-L306 HydrophobicContact CE1-CD1 4.03Å; Y302-L306 HydrophobicContact CE2-CD1 3.73Å; Y302-L306 HydrophobicContact CE2-CD2 4.03Å; Y302-L306 HydrophobicContact CE2-CG 3.8Å; Y302-L306 WeakPolarHBondContact O-CG 3.41Å; Y302-L306 PolarHBondContact O-N 2.81Å; Y302-L306 VanDerWaalsContact O-N 3.09Å; K303-L306 PolarHBondContact O-N 2.99Å; L306-A308 VanDerWaalsContact C-N 3.34Å; L306-L309 PolarHBondContact O-N 3.06Å; L306-L310 WeakPolarHBondContact O-CG 3.32Å; L306-L310 PolarHBondContact O-N 3.12Å
307	L	97.3	Very high	90.7	Very high	32 Å²	32	54.1 Å²	54.1	17%	0.168	32%	0.318	C	S	.	.	H	α-helix	trans	-67.2	-35.1	175	-68.3	177.1	0	0	0	111.8	D291 I294 A295 K303 A304 F305 L310 G311 H312	D291-L307 HydrophobicContact CB-CD2 3.91Å; I294-L307 HydrophobicContact CG2-CD2 4.38Å; A295-L307 HydrophobicContact CB-CD1 4.41Å; K303-L307 HydrophobicContact CG-CD1 3.85Å; K303-L307 HydrophobicContact CG-CG 4.4Å; K303-L307 WeakPolarHBondContact O-CB 3.23Å; K303-L307 VanDerWaalsContact O-CG 3.29Å; K303-L307 WeakPolarHBondContact O-CG 3.36Å; K303-L307 PolarHBondContact O-N 2.7Å; A304-L307 PolarHBondContact O-N 3.11Å; F305-L307 VanDerWaalsContact C-N 3.27Å; F305-L307 PolarHBondContact O-N 3.24Å; L307-L310 HydrophobicContact CD2-CD1 4.45Å; L307-L310 CarbonylContact O-C 3.58Å; L307-L310 PolarHBondContact O-N 2.84Å; L307-L310 VanDerWaalsContact O-N 3.13Å; L307-G311 PolarHBondContact O-N 3.5Å; L307-H312 HydrophobicContact CB-CB 4.22Å; L307-H312 WeakPolarHBondContact O-CB 3.3Å; L307-H312 PolarHBondContact O-N 2.73Å
308	A	97	Very high	90.5	Very high	2 Å²	2	52.9 Å²	52.9	2%	0.017	32%	0.316	C	S	.	.	H	α-helix	trans	-59.8	-45.3	172.9	0	0	0	0	0	112.1	I34 A304 F305 L306 L310 G311 H312	I34-A308 HydrophobicContact CG2-CB 4.11Å; A304-A308 PolarHBondContact O-N 2.73Å; F305-A308 WeakPolarHBondContact O-CB 3.45Å; F305-A308 PolarHBondContact O-N 2.99Å; F305-A308 VanDerWaalsContact O-N 3.09Å; L306-A308 VanDerWaalsContact C-N 3.34Å; A308-L310 PolarHBondContact O-N 3.06Å; A308-G311 PolarHBondContact O-N 3.08Å; A308-H312 VanDerWaalsContact CA-O 3.31Å; A308-H312 WeakPolarHBondContact CA-O 3.4Å
309	L	97.6	Very high	90.3	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-65.1	-22.1	175.6	-61.7	-173.1	0	0	0	113.6	T3 I4 W79 I267 V268 A271 F305 L306 G311	T3-L309 WeakPolarHBondContact CB-O 3.43Å; T3-L309 PolarHBondContact OG1-O 2.66Å; I4-L309 HydrophobicContact CD1-CD2 3.94Å; W79-L309 HydrophobicContact CD2-CD1 4.42Å; W79-L309 HydrophobicContact CD2-CD2 3.82Å; W79-L309 VanDerWaalsContact CE2-CD2 3.41Å; W79-L309 HydrophobicContact CE3-CD1 4.47Å; W79-L309 HydrophobicContact CE3-CD2 4.27Å; W79-L309 HydrophobicContact CG-CD2 4.34Å; W79-L309 HydrophobicContact CH2-CD2 3.94Å; W79-L309 HydrophobicContact CZ2-CD2 3.49Å; W79-L309 VanDerWaalsContact CZ2-CD2 3.49Å; W79-L309 HydrophobicContact CZ3-CD2 4.32Å; I267-L309 HydrophobicContact CG2-CB 3.76Å; I267-L309 HydrophobicContact CG2-CD1 3.86Å; I267-L309 HydrophobicContact CG2-CG 4.47Å; V268-L309 HydrophobicContact CG2-CD1 3.92Å; A271-L309 HydrophobicContact CB-CB 4.3Å; F305-L309 HydrophobicContact CD1-CD1 4.47Å; F305-L309 HydrophobicContact CE1-CD1 3.78Å; F305-L309 HydrophobicContact CE1-CG 4.34Å; F305-L309 HydrophobicContact CE2-CD1 4.4Å; F305-L309 HydrophobicContact CE2-CD2 4.07Å; F305-L309 HydrophobicContact CE2-CG 4.17Å; F305-L309 HydrophobicContact CZ-CD1 3.74Å; F305-L309 HydrophobicContact CZ-CD2 4.06Å; F305-L309 HydrophobicContact CZ-CG 4.01Å; F305-L309 PolarHBondContact O-N 2.91Å; F305-L309 VanDerWaalsContact O-N 3.07Å; L306-L309 PolarHBondContact O-N 3.06Å; L309-G311 VanDerWaalsContact C-N 3.29Å
310	L	96.5	Very high	90	Very high	19 Å²	19	52.7 Å²	52.7	10%	0.099	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	2	172.8	-70.6	172.1	0	0	0	113.8	L275 T279 L290 D291 I294 L306 L307 A308	L275-L310 HydrophobicContact CD2-CD2 3.62Å; L275-L310 HydrophobicContact CG-CD2 3.95Å; T279-L310 HydrophobicContact CG2-CD2 3.82Å; L290-L310 HydrophobicContact CD2-CD1 4.46Å; L290-L310 HydrophobicContact CD2-CD2 4.07Å; L290-L310 HydrophobicContact CG-CD1 4.41Å; D291-L310 HydrophobicContact CB-CD1 4.27Å; I294-L310 HydrophobicContact CD1-CD1 3.49Å; I294-L310 VanDerWaalsContact CD1-CD1 3.49Å; L306-L310 WeakPolarHBondContact O-CG 3.32Å; L306-L310 PolarHBondContact O-N 3.12Å; L307-L310 HydrophobicContact CD2-CD1 4.45Å; L307-L310 CarbonylContact O-C 3.58Å; L307-L310 PolarHBondContact O-N 2.84Å; L307-L310 VanDerWaalsContact O-N 3.13Å; A308-L310 PolarHBondContact O-N 3.06Å
311	G	94.4	Very high	89.6	Confident	34 Å²	34	52.6 Å²	52.6	35%	0.351	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	92	15.3	177	0	0	0	0	0	114.4	T3 L307 A308 L309	T3-G311 WeakPolarHBondContact O-CA 3.44Å; L307-G311 PolarHBondContact O-N 3.5Å; A308-G311 PolarHBondContact O-N 3.08Å; L309-G311 VanDerWaalsContact C-N 3.29Å
312	H	90.5	Very high	89	Confident	84 Å²	84	52.8 Å²	52.8	39%	0.389	30%	0.295	S	S	.	.			trans	-96.9	175	171.4	-55.6	-71.9	0	0	0	111.2	H39 D291 L307 A308	H39-H312 PolarHBondContact CE1-O 3.45Å; H39-H312 VanDerWaalsContact CE1-O 3.29Å; D291-H312 WeakPolarHBondContact CB-NE2 3.18Å; L307-H312 HydrophobicContact CB-CB 4.22Å; L307-H312 WeakPolarHBondContact O-CB 3.3Å; L307-H312 PolarHBondContact O-N 2.73Å; A308-H312 VanDerWaalsContact CA-O 3.31Å; A308-H312 WeakPolarHBondContact CA-O 3.4Å
313	G	78.2	Confident	88.4	Confident	66 Å²	66	55.4 Å²	55.4	68%	0.68	31%	0.311	S	S	*	.	S	Bend	trans	96	170.3	176.4	0	0	0	0	0	114.6
314	K	69.4	Low	87.7	Confident	192 Å²	192	54.4 Å²	54.4	84%	0.835	31%	0.312	S	S	*	.			trans	-105.2	134	178.6	-68.7	-176.7	179.6	-179.6	0	109.3
315	Q	68	Low	87	Confident	85 Å²	85	55.8 Å²	55.8	40%	0.397	31%	0.313	S	S	.	.			trans	-79.2	144.7	171.9	-63.6	173.9	-6.8	0	0	109.6	V5 H39	V5-Q315 PolarHBondContact O-NE2 3.1Å; H39-Q315 HydrophobicContact CB-CG 4Å
316	L	58.6	Low	85.9	Confident	156 Å²	156	60.9 Å²	60.9	82%	0.817	34%	0.341	S	S	*	.			trans	-83.8	0	156.1	-76.6	175	0	0	0	108.9	S35	S35-L316 WeakPolarHBondContact OG-CD1 3.37Å; S35-L316 VanDerWaalsContact OG-CG 3.28Å; S35-L316 WeakPolarHBondContact OG-CG 3.45Å

Retrieved 316 of 316 residues in 658.6 ms (Link to these results)

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