A0A5K4F550_SCHMA Loading...

Monocyte to macrophage differentiation factor 2

AlphaFold DB , UniProt , Accession A0A5K4F550, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 185 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	88.1	Confident	94	Very high	88 Å²	88	81.2 Å²	81.2	43%	0.433	42%	0.42	S	S	.	.				0	-68.9	0	-175.4	-176.6	146.6	0	0	112	K3 L4 C5 L22	M1-K3 VanDerWaalsContact C-N 3.32Å; M1-K3 PolarHBondContact O-N 3.09Å; M1-L4 PolarHBondContact O-N 3.31Å; M1-C5 PolarHBondContact O-N 2.95Å; M1-C5 PolarHBondContact O-SG 3.38Å; M1-C5 VanDerWaalsContact O-SG 3.35Å; M1-L22 HydrophobicContact SD-CD2 3.96Å; M1-L22 HydrophobicContact SD-CG 4.27Å
2	I	92.3	Very high	94.2	Very high	144 Å²	144	78.3 Å²	78.3	74%	0.738	41%	0.411	S	S	*	.	H	α-helix	trans	-50.3	-48.8	-174.7	-61.1	171.7	0	0	0	112.4	L4 C5 S6	I2-L4 VanDerWaalsContact C-N 3.34Å; I2-L4 PolarHBondContact O-N 3.39Å; I2-C5 PolarHBondContact O-N 3.03Å; I2-S6 PolarHBondContact O-N 3.28Å; I2-S6 PolarHBondContact O-OG 3.29Å
3	K	94.2	Very high	94.4	Very high	100 Å²	100	74.8 Å²	74.8	44%	0.435	39%	0.391	S	S	.	.	H	α-helix	trans	-57.1	-40.5	177.3	-176.4	-178.9	176.3	-165.4	0	114	M1 S6 F175 D179	M1-K3 VanDerWaalsContact C-N 3.32Å; M1-K3 PolarHBondContact O-N 3.09Å; K3-S6 PolarHBondContact O-OG 3.42Å; K3-F175 HydrophobicContact CD-CE1 4.4Å; K3-F175 HydrophobicContact CD-CZ 4.45Å; K3-D179 VanDerWaalsContact CE-CG 3.5Å; K3-D179 VanDerWaalsContact CE-OD1 3.26Å; K3-D179 WeakPolarHBondContact CE-OD1 3.42Å; K3-D179 WeakPolarHBondContact CE-OD2 3.31Å; K3-D179 IonicContact NZ-OD1 2.67Å; K3-D179 IonicContact NZ-OD2 3.07Å; K3-D179 PolarHBondContact NZ-OD2 2.62Å
4	L	95.7	Very high	94.6	Very high	0 Å²	0	72.2 Å²	72.2	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-72.1	-40.9	178.2	-61.2	-179.5	0	0	0	110.4	M1 I2 S6 K7 A8 A17 Y20 F175 V178 D179 I183	M1-L4 PolarHBondContact O-N 3.31Å; I2-L4 VanDerWaalsContact C-N 3.34Å; I2-L4 PolarHBondContact O-N 3.39Å; L4-S6 VanDerWaalsContact C-N 3.32Å; L4-S6 PolarHBondContact O-N 3.08Å; L4-K7 PolarHBondContact O-N 3.23Å; L4-A8 PolarHBondContact O-N 3.36Å; L4-A17 HydrophobicContact CB-CB 3.69Å; L4-Y20 HydrophobicContact CD1-CD1 3.89Å; L4-Y20 HydrophobicContact CD1-CE1 4.5Å; L4-F175 HydrophobicContact CD1-CD2 4.23Å; L4-F175 HydrophobicContact CD1-CE2 3.64Å; L4-F175 HydrophobicContact CD1-CZ 4.4Å; L4-F175 HydrophobicContact CD2-CE2 4.01Å; L4-F175 HydrophobicContact CD2-CZ 3.98Å; L4-F175 HydrophobicContact CG-CE2 3.7Å; L4-F175 HydrophobicContact CG-CZ 3.96Å; L4-V178 HydrophobicContact CD1-CG1 4.42Å; L4-V178 HydrophobicContact CD2-CG1 4.47Å; L4-D179 HydrophobicContact CD2-CB 3.78Å; L4-I183 HydrophobicContact CB-CD1 4.17Å; L4-I183 HydrophobicContact CD1-CD1 4.45Å; L4-I183 HydrophobicContact CD2-CD1 4.33Å
5	C	94.4	Very high	94.8	Very high	44 Å²	44	70.5 Å²	70.5	30%	0.297	38%	0.376	S	S	.	.	H	α-helix	trans	-64.7	-36	179.3	-62.3	0	0	0	0	111.9	M1 I2 K7 A8	M1-C5 PolarHBondContact O-N 2.95Å; M1-C5 PolarHBondContact O-SG 3.38Å; M1-C5 VanDerWaalsContact O-SG 3.35Å; I2-C5 PolarHBondContact O-N 3.03Å; C5-K7 PolarHBondContact O-N 3.16Å; C5-A8 PolarHBondContact O-N 3.27Å
6	S	94.4	Very high	95	Very high	92 Å²	92	66.1 Å²	66.1	64%	0.643	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-18.2	178.4	60.7	0	0	0	0	114.2	I2 K3 L4	I2-S6 PolarHBondContact O-N 3.28Å; I2-S6 PolarHBondContact O-OG 3.29Å; K3-S6 PolarHBondContact O-OG 3.42Å; L4-S6 VanDerWaalsContact C-N 3.32Å; L4-S6 PolarHBondContact O-N 3.08Å
7	K	94.2	Very high	95.2	Very high	48 Å²	48	62.2 Å²	62.2	21%	0.209	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-5.8	177.3	-66.7	-177.9	176	176	0	113.2	L4 C5 D9 D179 I183 N185	L4-K7 PolarHBondContact O-N 3.23Å; C5-K7 PolarHBondContact O-N 3.16Å; K7-D9 PolarHBondContact O-N 2.89Å; K7-D9 VanDerWaalsContact O-N 3.12Å; K7-D179 PolarHBondContact NZ-O 3.25Å; K7-D179 IonicContact NZ-OD1 3.75Å; K7-D179 PolarHBondContact NZ-OD1 2.79Å; K7-D179 IonicContact NZ-OD2 3.98Å; K7-D179 PolarHBondContact NZ-OD2 2.71Å; K7-I183 HydrophobicContact CB-CG2 3.85Å; K7-I183 VanDerWaalsContact CD-O 3.28Å; K7-I183 WeakPolarHBondContact CD-O 3.01Å; K7-N185 WeakPolarHBondContact CA-OD1 3.12Å; K7-N185 WeakPolarHBondContact CB-OD1 3.38Å; K7-N185 WeakPolarHBondContact CG-OD1 3.35Å
8	A	94.8	Very high	95.3	Very high	20 Å²	20	63.1 Å²	63.1	17%	0.165	34%	0.335	C	S	.	.			trans	-81	96	-174.8	0	0	0	0	0	110.9	L4 C5 K13 S14	L4-A8 PolarHBondContact O-N 3.36Å; C5-A8 PolarHBondContact O-N 3.27Å; A8-K13 HydrophobicContact CB-CB 3.83Å; A8-S14 WeakPolarHBondContact CB-OG 3.31Å
9	D	94	Very high	95.5	Very high	96 Å²	96	61.9 Å²	61.9	51%	0.513	33%	0.331	S	S	.	.			trans	-79.8	-19	177.4	60.6	7.6	0	0	0	114.3	K7 K13	K7-D9 PolarHBondContact O-N 2.89Å; K7-D9 VanDerWaalsContact O-N 3.12Å; D9-K13 WeakPolarHBondContact OD1-CD 3.45Å; D9-K13 WeakPolarHBondContact OD1-CE 3.29Å; D9-K13 IonicContact OD1-NZ 2.77Å; D9-K13 PolarHBondContact OD1-NZ 3.29Å; D9-K13 IonicContact OD2-NZ 2.85Å; D9-K13 PolarHBondContact OD2-NZ 3.29Å
10	T	96	Very high	95.6	Very high	71 Å²	71	58.9 Å²	58.9	44%	0.436	32%	0.315	S	S	.	.	S	Bend	trans	-122.4	152.5	-172.9	-51.3	0	0	0	0	110.1	S12 K13 S14	T10-S12 VanDerWaalsContact C-N 3.32Å; T10-S12 PolarHBondContact O-N 2.88Å; T10-K13 PolarHBondContact O-N 2.91Å; T10-K13 VanDerWaalsContact O-N 3.16Å; T10-S14 PolarHBondContact O-N 3.47Å; T10-S14 PolarHBondContact O-OG 3.49Å
11	Y	95.8	Very high	95.7	Very high	190 Å²	190	56.1 Å²	56.1	75%	0.745	30%	0.3	S	S	*	.	H	α-helix	trans	-53.2	-46.7	175.8	-179.9	-101.2	0	0	0	112.4	K13 S14 V15	Y11-K13 PolarHBondContact O-N 3.27Å; Y11-S14 WeakPolarHBondContact O-CB 3.38Å; Y11-S14 PolarHBondContact O-N 2.96Å; Y11-S14 VanDerWaalsContact O-N 3.1Å; Y11-V15 HydrophobicContact CD1-CG2 4.16Å; Y11-V15 HydrophobicContact CD2-CG2 4.5Å; Y11-V15 HydrophobicContact CE1-CG2 3.7Å; Y11-V15 HydrophobicContact CE2-CG2 4.07Å; Y11-V15 WeakPolarHBondContact O-CG2 3.26Å; Y11-V15 PolarHBondContact O-N 3.47Å
12	S	96.1	Very high	96.2	Very high	46 Å²	46	56 Å²	56	32%	0.322	30%	0.301	S	S	.	.	H	α-helix	trans	-60.5	-42.8	178.4	-52.1	0	0	0	0	112.5	T10 S14 V15 A16 L71	T10-S12 VanDerWaalsContact C-N 3.32Å; T10-S12 PolarHBondContact O-N 2.88Å; S12-S14 VanDerWaalsContact C-N 3.3Å; S12-S14 PolarHBondContact O-N 2.83Å; S12-V15 PolarHBondContact O-N 2.96Å; S12-A16 WeakPolarHBondContact O-CB 3.48Å; S12-A16 PolarHBondContact O-N 3.35Å; S12-L71 WeakPolarHBondContact O-CD2 3.36Å
13	K	97.5	Very high	96.5	Very high	33 Å²	33	49.8 Å²	49.8	14%	0.143	27%	0.271	C	S	.	.	H	α-helix	trans	-63.3	-38.2	175.4	-68.3	-169.7	-165.1	161.8	0	111.1	A8 D9 T10 Y11 A16 A17 L72 I183 T184	A8-K13 HydrophobicContact CB-CB 3.83Å; D9-K13 WeakPolarHBondContact OD1-CD 3.45Å; D9-K13 WeakPolarHBondContact OD1-CE 3.29Å; D9-K13 IonicContact OD1-NZ 2.77Å; D9-K13 PolarHBondContact OD1-NZ 3.29Å; D9-K13 IonicContact OD2-NZ 2.85Å; D9-K13 PolarHBondContact OD2-NZ 3.29Å; T10-K13 PolarHBondContact O-N 2.91Å; T10-K13 VanDerWaalsContact O-N 3.16Å; Y11-K13 PolarHBondContact O-N 3.27Å; K13-A16 PolarHBondContact O-N 3.46Å; K13-A17 VanDerWaalsContact O-CB 3.25Å; K13-A17 WeakPolarHBondContact O-CB 3.36Å; K13-A17 PolarHBondContact O-N 3.02Å; K13-L72 HydrophobicContact CG-CD1 4.28Å; K13-L72 HydrophobicContact CG-CD2 3.96Å; K13-I183 HydrophobicContact CB-CG2 4.48Å; K13-I183 HydrophobicContact CD-CG2 4.39Å; K13-T184 PolarHBondContact NZ-O 2.81Å
14	S	97.1	Very high	96.7	Very high	39 Å²	39	46.1 Å²	46.1	27%	0.273	26%	0.255	S	S	.	.	H	α-helix	trans	-65.7	-47.1	178.8	-62.7	0	0	0	0	111.6	A8 T10 Y11 S12 A17 I18	A8-S14 WeakPolarHBondContact CB-OG 3.31Å; T10-S14 PolarHBondContact O-N 3.47Å; T10-S14 PolarHBondContact O-OG 3.49Å; Y11-S14 WeakPolarHBondContact O-CB 3.38Å; Y11-S14 PolarHBondContact O-N 2.96Å; Y11-S14 VanDerWaalsContact O-N 3.1Å; S12-S14 VanDerWaalsContact C-N 3.3Å; S12-S14 PolarHBondContact O-N 2.83Å; S14-A17 PolarHBondContact O-N 3.43Å; S14-I18 WeakPolarHBondContact O-CB 3.14Å; S14-I18 VanDerWaalsContact O-CG1 3.27Å; S14-I18 WeakPolarHBondContact O-CG1 3.4Å; S14-I18 PolarHBondContact O-N 3.25Å
15	V	97.6	Very high	96.8	Very high	47 Å²	47	50 Å²	50	29%	0.285	28%	0.279	S	S	.	.	H	α-helix	trans	-59.9	-48.5	176	173.7	0	0	0	0	110.5	Y11 S12 A17 I18 V19 L71	Y11-V15 HydrophobicContact CD1-CG2 4.16Å; Y11-V15 HydrophobicContact CD2-CG2 4.5Å; Y11-V15 HydrophobicContact CE1-CG2 3.7Å; Y11-V15 HydrophobicContact CE2-CG2 4.07Å; Y11-V15 WeakPolarHBondContact O-CG2 3.26Å; Y11-V15 PolarHBondContact O-N 3.47Å; S12-V15 PolarHBondContact O-N 2.96Å; V15-A17 PolarHBondContact O-N 3.31Å; V15-I18 PolarHBondContact O-N 3.5Å; V15-V19 HydrophobicContact CG1-CG2 4.24Å; V15-V19 WeakPolarHBondContact O-CB 3.39Å; V15-V19 VanDerWaalsContact O-CG2 3.29Å; V15-V19 WeakPolarHBondContact O-CG2 3.37Å; V15-V19 PolarHBondContact O-N 3.25Å; V15-L71 HydrophobicContact CB-CD2 4.38Å; V15-L71 HydrophobicContact CG1-CD2 4.26Å
16	A	97.8	Very high	96.9	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-58.5	-45.4	176.7	0	0	0	0	0	112.4	S12 K13 I18 Y20 P68 L71 L72	S12-A16 WeakPolarHBondContact O-CB 3.48Å; S12-A16 PolarHBondContact O-N 3.35Å; K13-A16 PolarHBondContact O-N 3.46Å; A16-I18 PolarHBondContact O-N 3.47Å; A16-Y20 WeakPolarHBondContact O-CB 3.22Å; A16-Y20 PolarHBondContact O-N 3.04Å; A16-P68 HydrophobicContact CB-CB 4.19Å; A16-P68 HydrophobicContact CB-CG 4.27Å; A16-L71 HydrophobicContact CB-CD2 4.31Å; A16-L72 HydrophobicContact CB-CD1 3.88Å; A16-L72 HydrophobicContact CB-CG 4.22Å
17	A	97.9	Very high	97.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61.8	-42.5	179.1	0	0	0	0	0	112.7	L4 K13 S14 V15 G21 I183	L4-A17 HydrophobicContact CB-CB 3.69Å; K13-A17 VanDerWaalsContact O-CB 3.25Å; K13-A17 WeakPolarHBondContact O-CB 3.36Å; K13-A17 PolarHBondContact O-N 3.02Å; S14-A17 PolarHBondContact O-N 3.43Å; V15-A17 PolarHBondContact O-N 3.31Å; A17-G21 WeakPolarHBondContact O-CA 3.12Å; A17-G21 PolarHBondContact O-N 2.77Å; A17-I183 HydrophobicContact CB-CD1 3.93Å
18	I	98.1	Very high	97.3	Very high	78 Å²	78	47.6 Å²	47.6	40%	0.4	26%	0.259	S	S	.	.	H	α-helix	trans	-69.9	-52.1	-179.5	-69.4	166.8	0	0	0	110.1	S14 V15 A16 Y20 G21 L22	S14-I18 WeakPolarHBondContact O-CB 3.14Å; S14-I18 VanDerWaalsContact O-CG1 3.27Å; S14-I18 WeakPolarHBondContact O-CG1 3.4Å; S14-I18 PolarHBondContact O-N 3.25Å; V15-I18 PolarHBondContact O-N 3.5Å; A16-I18 PolarHBondContact O-N 3.47Å; I18-Y20 PolarHBondContact O-N 3.37Å; I18-G21 PolarHBondContact O-N 2.87Å; I18-L22 HydrophobicContact CG2-CD1 3.68Å; I18-L22 HydrophobicContact CG2-CG 4.31Å; I18-L22 VanDerWaalsContact O-CB 3.28Å; I18-L22 WeakPolarHBondContact O-CB 3.48Å; I18-L22 WeakPolarHBondContact O-CG 3.45Å; I18-L22 PolarHBondContact O-N 2.92Å
19	V	98.2	Very high	97.4	Very high	41 Å²	41	53.3 Å²	53.3	25%	0.248	28%	0.281	C	S	.	.	H	α-helix	trans	-59.5	-51.8	-178.1	169.5	0	0	0	0	110.7	V15 A23 A64 T67 W88	V15-V19 HydrophobicContact CG1-CG2 4.24Å; V15-V19 WeakPolarHBondContact O-CB 3.39Å; V15-V19 VanDerWaalsContact O-CG2 3.29Å; V15-V19 WeakPolarHBondContact O-CG2 3.37Å; V15-V19 PolarHBondContact O-N 3.25Å; V19-A23 WeakPolarHBondContact O-CB 3.36Å; V19-A23 PolarHBondContact O-N 3.05Å; V19-A23 VanDerWaalsContact O-N 3.12Å; V19-A64 HydrophobicContact CG1-CB 3.89Å; V19-T67 HydrophobicContact CB-CG2 4.4Å; V19-T67 HydrophobicContact CG1-CG2 4.11Å; V19-W88 HydrophobicContact CG1-CH2 4.2Å; V19-W88 HydrophobicContact CG1-CZ2 3.66Å
20	Y	98.4	Very high	97.6	Very high	1 Å²	1	49.5 Å²	49.5	0%	0.004	26%	0.263	C	S	.	.	H	α-helix	trans	-67.8	-41.9	-179.7	-176.5	-130.9	0	0	0	112	L4 A16 I18 A23 I24 F61 P68 F175 V178	L4-Y20 HydrophobicContact CD1-CD1 3.89Å; L4-Y20 HydrophobicContact CD1-CE1 4.5Å; A16-Y20 WeakPolarHBondContact O-CB 3.22Å; A16-Y20 PolarHBondContact O-N 3.04Å; I18-Y20 PolarHBondContact O-N 3.37Å; Y20-A23 PolarHBondContact O-N 3.31Å; Y20-I24 HydrophobicContact CD1-CD1 4.2Å; Y20-I24 HydrophobicContact CD2-CD1 4.34Å; Y20-I24 HydrophobicContact CD2-CG1 4.48Å; Y20-I24 HydrophobicContact CE1-CD1 3.78Å; Y20-I24 HydrophobicContact CE2-CD1 3.93Å; Y20-I24 HydrophobicContact CE2-CG1 4.16Å; Y20-I24 HydrophobicContact CG-CD1 4.47Å; Y20-I24 WeakPolarHBondContact O-CG1 3.33Å; Y20-I24 PolarHBondContact O-N 2.95Å; Y20-I24 VanDerWaalsContact O-N 3.1Å; Y20-F61 HydrophobicContact CE2-CE2 4.28Å; Y20-P68 HydrophobicContact CD1-CG 4.11Å; Y20-P68 HydrophobicContact CG-CG 3.91Å; Y20-F175 HydrophobicContact CE1-CD2 4.24Å; Y20-F175 PolarHBondContact OH-N 2.66Å; Y20-V178 HydrophobicContact CD1-CB 4.36Å; Y20-V178 HydrophobicContact CD1-CG1 4.07Å; Y20-V178 HydrophobicContact CD1-CG2 4.19Å; Y20-V178 HydrophobicContact CE1-CB 3.98Å; Y20-V178 HydrophobicContact CE1-CG1 4.21Å; Y20-V178 HydrophobicContact CE1-CG2 3.71Å
21	G	97.8	Very high	97.6	Very high	1 Å²	1	47 Å²	47	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-63.2	-45.8	179.6	0	0	0	0	0	113.4	A17 I18 A23 V25	A17-G21 WeakPolarHBondContact O-CA 3.12Å; A17-G21 PolarHBondContact O-N 2.77Å; I18-G21 PolarHBondContact O-N 2.87Å; G21-A23 VanDerWaalsContact C-N 3.33Å; G21-V25 WeakPolarHBondContact O-CG2 3.25Å; G21-V25 PolarHBondContact O-N 3.49Å
22	L	97.8	Very high	97.7	Very high	85 Å²	85	41.4 Å²	41.4	45%	0.445	24%	0.236	S	C	.	.	H	α-helix	trans	-65.6	-37.1	176.7	-75.5	174.7	0	0	0	111.4	M1 I18 V25 S26	M1-L22 HydrophobicContact SD-CD2 3.96Å; M1-L22 HydrophobicContact SD-CG 4.27Å; I18-L22 HydrophobicContact CG2-CD1 3.68Å; I18-L22 HydrophobicContact CG2-CG 4.31Å; I18-L22 VanDerWaalsContact O-CB 3.28Å; I18-L22 WeakPolarHBondContact O-CB 3.48Å; I18-L22 WeakPolarHBondContact O-CG 3.45Å; I18-L22 PolarHBondContact O-N 2.92Å; L22-V25 PolarHBondContact O-N 2.74Å; L22-S26 WeakPolarHBondContact O-CB 3.4Å; L22-S26 PolarHBondContact O-N 3.33Å; L22-S26 PolarHBondContact O-OG 2.94Å
23	A	98.1	Very high	97.7	Very high	13 Å²	13	40.8 Å²	40.8	11%	0.107	23%	0.231	C	C	.	.	H	α-helix	trans	-64.5	-43.8	178	0	0	0	0	0	112.4	V19 Y20 G21 S26 L27 F61 A64	V19-A23 WeakPolarHBondContact O-CB 3.36Å; V19-A23 PolarHBondContact O-N 3.05Å; V19-A23 VanDerWaalsContact O-N 3.12Å; Y20-A23 PolarHBondContact O-N 3.31Å; G21-A23 VanDerWaalsContact C-N 3.33Å; A23-S26 PolarHBondContact O-N 3.08Å; A23-L27 WeakPolarHBondContact O-CB 3.39Å; A23-L27 PolarHBondContact O-N 3.2Å; A23-F61 HydrophobicContact CB-CD2 4.02Å; A23-A64 HydrophobicContact CB-CB 3.3Å
24	I	98.2	Very high	97.5	Very high	23 Å²	23	40.2 Å²	40.2	12%	0.118	23%	0.228	C	C	.	.	H	α-helix	trans	-59.9	-48.4	174.8	-68.6	169.5	0	0	0	110.9	Y20 S26 L27 F28 F61 I171 F175	Y20-I24 HydrophobicContact CD1-CD1 4.2Å; Y20-I24 HydrophobicContact CD2-CD1 4.34Å; Y20-I24 HydrophobicContact CD2-CG1 4.48Å; Y20-I24 HydrophobicContact CE1-CD1 3.78Å; Y20-I24 HydrophobicContact CE2-CD1 3.93Å; Y20-I24 HydrophobicContact CE2-CG1 4.16Å; Y20-I24 HydrophobicContact CG-CD1 4.47Å; Y20-I24 WeakPolarHBondContact O-CG1 3.33Å; Y20-I24 PolarHBondContact O-N 2.95Å; Y20-I24 VanDerWaalsContact O-N 3.1Å; I24-S26 VanDerWaalsContact C-N 3.33Å; I24-S26 PolarHBondContact O-N 3.37Å; I24-L27 PolarHBondContact O-N 2.85Å; I24-F28 HydrophobicContact CG2-CD2 3.96Å; I24-F28 HydrophobicContact CG2-CE2 4.04Å; I24-F28 WeakPolarHBondContact O-CD2 3.48Å; I24-F28 PolarHBondContact O-N 3.3Å; I24-F61 HydrophobicContact CG1-CE2 3.78Å; I24-I171 HydrophobicContact CD1-CG2 4.03Å; I24-I171 HydrophobicContact CG1-CG2 4.04Å; I24-I171 HydrophobicContact CG2-CG2 4.1Å; I24-F175 HydrophobicContact CD1-CD2 3.88Å
25	V	98	Very high	97.3	Very high	82 Å²	82	41.4 Å²	41.4	50%	0.497	23%	0.229	S	C	.	.	H	α-helix	trans	-61.4	-45.9	-180	172.1	0	0	0	0	110.2	G21 L22 L27 F29	G21-V25 WeakPolarHBondContact O-CG2 3.25Å; G21-V25 PolarHBondContact O-N 3.49Å; L22-V25 PolarHBondContact O-N 2.74Å; V25-L27 VanDerWaalsContact C-N 3.35Å; V25-L27 PolarHBondContact O-N 2.9Å; V25-F29 WeakPolarHBondContact O-CB 3.49Å; V25-F29 PolarHBondContact O-N 3.4Å
26	S	98	Very high	97.1	Very high	52 Å²	52	43.3 Å²	43.3	36%	0.364	24%	0.237	S	C	.	.	H	α-helix	trans	-63.5	-40.2	-179.4	-58.1	0	0	0	0	111.9	L22 A23 I24 F29 A30	L22-S26 WeakPolarHBondContact O-CB 3.4Å; L22-S26 PolarHBondContact O-N 3.33Å; L22-S26 PolarHBondContact O-OG 2.94Å; A23-S26 PolarHBondContact O-N 3.08Å; I24-S26 VanDerWaalsContact C-N 3.33Å; I24-S26 PolarHBondContact O-N 3.37Å; S26-F29 PolarHBondContact O-N 2.91Å; S26-A30 WeakPolarHBondContact O-CB 3.2Å; S26-A30 PolarHBondContact O-N 2.96Å
27	L	98	Very high	96.9	Very high	14 Å²	14	46.7 Å²	46.7	7%	0.073	25%	0.252	C	S	.	.	H	α-helix	trans	-59.7	-55.6	177.6	-176.8	74.8	0	0	0	111.4	A23 I24 V25 F29 S31 V57 I58 F61 I171	A23-L27 WeakPolarHBondContact O-CB 3.39Å; A23-L27 PolarHBondContact O-N 3.2Å; I24-L27 PolarHBondContact O-N 2.85Å; V25-L27 VanDerWaalsContact C-N 3.35Å; V25-L27 PolarHBondContact O-N 2.9Å; L27-F29 VanDerWaalsContact C-N 3.32Å; L27-F29 PolarHBondContact O-N 3.41Å; L27-S31 WeakPolarHBondContact O-CB 3.49Å; L27-S31 PolarHBondContact O-N 3.11Å; L27-S31 VanDerWaalsContact O-N 3.11Å; L27-V57 VanDerWaalsContact CA-CG1 3.44Å; L27-V57 HydrophobicContact CB-CG1 4.06Å; L27-V57 HydrophobicContact CD1-CG1 4.1Å; L27-I58 HydrophobicContact CD1-CG1 3.86Å; L27-F61 HydrophobicContact CB-CD2 4.46Å; L27-F61 HydrophobicContact CB-CG 4.48Å; L27-F61 HydrophobicContact CD1-CB 4.27Å; L27-F61 HydrophobicContact CD1-CG 4.4Å; L27-F61 HydrophobicContact CD2-CD1 3.86Å; L27-F61 HydrophobicContact CD2-CD2 4.12Å; L27-F61 HydrophobicContact CD2-CE1 4.07Å; L27-F61 HydrophobicContact CD2-CE2 4.33Å; L27-F61 HydrophobicContact CD2-CG 3.9Å; L27-F61 HydrophobicContact CD2-CZ 4.32Å; L27-I171 HydrophobicContact CD2-CD1 3.43Å; L27-I171 VanDerWaalsContact CD2-CD1 3.43Å
28	F	97.7	Very high	96.4	Very high	67 Å²	67	48.2 Å²	48.2	29%	0.294	26%	0.263	S	S	.	.	H	α-helix	trans	-67.8	-35.1	-180	-74.8	-63.4	0	0	0	112.1	I24 S32 F168 I171	I24-F28 HydrophobicContact CG2-CD2 3.96Å; I24-F28 HydrophobicContact CG2-CE2 4.04Å; I24-F28 WeakPolarHBondContact O-CD2 3.48Å; I24-F28 PolarHBondContact O-N 3.3Å; F28-S32 WeakPolarHBondContact O-CB 3.43Å; F28-S32 PolarHBondContact O-N 3.45Å; F28-S32 PolarHBondContact O-OG 3.44Å; F28-F168 HydrophobicContact CE1-CD2 4.34Å; F28-F168 HydrophobicContact CZ-CB 4.39Å; F28-F168 AromaticContact CZ-CD2 3.87Å; F28-F168 HydrophobicContact CZ-CD2 3.87Å; F28-I171 HydrophobicContact CE2-CD1 3.69Å; F28-I171 HydrophobicContact CE2-CG2 4.27Å; F28-I171 HydrophobicContact CZ-CD1 3.61Å
29	F	98	Very high	96	Very high	141 Å²	141	50 Å²	50	62%	0.618	27%	0.273	S	S	*	.	H	α-helix	trans	-65.8	-51.4	178	-178.9	-101.2	0	0	0	111.9	V25 S26 L27 S31 S32 V33	V25-F29 WeakPolarHBondContact O-CB 3.49Å; V25-F29 PolarHBondContact O-N 3.4Å; S26-F29 PolarHBondContact O-N 2.91Å; L27-F29 VanDerWaalsContact C-N 3.32Å; L27-F29 PolarHBondContact O-N 3.41Å; F29-S31 VanDerWaalsContact C-N 3.35Å; F29-S31 PolarHBondContact O-N 3.49Å; F29-S32 PolarHBondContact O-N 2.92Å; F29-V33 HydrophobicContact CD1-CG2 4.33Å; F29-V33 HydrophobicContact CD2-CG2 4.27Å; F29-V33 HydrophobicContact CE1-CG2 3.98Å; F29-V33 HydrophobicContact CE2-CG2 3.91Å; F29-V33 HydrophobicContact CG-CG2 4.48Å; F29-V33 HydrophobicContact CZ-CG2 3.76Å; F29-V33 WeakPolarHBondContact O-CB 3.33Å; F29-V33 VanDerWaalsContact O-CG2 3.31Å; F29-V33 WeakPolarHBondContact O-CG2 3.24Å; F29-V33 PolarHBondContact O-N 3.18Å
30	A	97.4	Very high	95.7	Very high	16 Å²	16	54.5 Å²	54.5	13%	0.132	29%	0.289	C	S	.	.	H	α-helix	trans	-59.1	-46.8	179.5	0	0	0	0	0	111.2	S26 V33 F34 V57	S26-A30 WeakPolarHBondContact O-CB 3.2Å; S26-A30 PolarHBondContact O-N 2.96Å; A30-V33 PolarHBondContact O-N 3.28Å; A30-F34 WeakPolarHBondContact O-CB 3.42Å; A30-F34 PolarHBondContact O-N 2.89Å; A30-V57 HydrophobicContact CB-CB 4.46Å; A30-V57 HydrophobicContact CB-CG2 4.23Å
31	S	96.8	Very high	94.8	Very high	17 Å²	17	63.8 Å²	63.8	12%	0.119	33%	0.326	C	S	.	.	H	α-helix	trans	-62.8	-44.7	178.1	-169.1	0	0	0	0	112.2	L27 F29 F34 H35 D54 H164	L27-S31 WeakPolarHBondContact O-CB 3.49Å; L27-S31 PolarHBondContact O-N 3.11Å; L27-S31 VanDerWaalsContact O-N 3.11Å; F29-S31 VanDerWaalsContact C-N 3.35Å; F29-S31 PolarHBondContact O-N 3.49Å; S31-F34 PolarHBondContact O-N 3.48Å; S31-H35 WeakPolarHBondContact O-CB 3.27Å; S31-H35 PolarHBondContact O-CD2 2.94Å; S31-H35 PolarHBondContact O-N 3.37Å; S31-D54 WeakPolarHBondContact CA-OD1 3.46Å; S31-D54 VanDerWaalsContact CB-OD1 3.23Å; S31-D54 WeakPolarHBondContact CB-OD1 3.45Å; S31-D54 PolarHBondContact N-OD1 3.31Å; S31-D54 VanDerWaalsContact N-OD1 3.16Å; S31-H164 PolarHBondContact OG-CE1 3.2Å
32	S	96.4	Very high	93.8	Very high	73 Å²	73	66.5 Å²	66.5	51%	0.51	34%	0.339	S	S	.	.	H	α-helix	trans	-63.2	-45.7	178.2	-59.5	0	0	0	0	111.9	F28 F29 H35 L36	F28-S32 WeakPolarHBondContact O-CB 3.43Å; F28-S32 PolarHBondContact O-N 3.45Å; F28-S32 PolarHBondContact O-OG 3.44Å; F29-S32 PolarHBondContact O-N 2.92Å; S32-H35 PolarHBondContact O-N 2.9Å; S32-L36 WeakPolarHBondContact O-CB 3.47Å; S32-L36 PolarHBondContact O-N 3.12Å
33	V	96	Very high	92.8	Very high	34 Å²	34	68 Å²	68	21%	0.206	35%	0.348	C	S	.	.	H	α-helix	trans	-63.5	-45.6	178.2	172.4	0	0	0	0	110.4	F29 A30 H35 L36 F37 L50	F29-V33 HydrophobicContact CD1-CG2 4.33Å; F29-V33 HydrophobicContact CD2-CG2 4.27Å; F29-V33 HydrophobicContact CE1-CG2 3.98Å; F29-V33 HydrophobicContact CE2-CG2 3.91Å; F29-V33 HydrophobicContact CG-CG2 4.48Å; F29-V33 HydrophobicContact CZ-CG2 3.76Å; F29-V33 WeakPolarHBondContact O-CB 3.33Å; F29-V33 VanDerWaalsContact O-CG2 3.31Å; F29-V33 WeakPolarHBondContact O-CG2 3.24Å; F29-V33 PolarHBondContact O-N 3.18Å; A30-V33 PolarHBondContact O-N 3.28Å; V33-H35 PolarHBondContact O-N 3.14Å; V33-L36 PolarHBondContact O-N 2.93Å; V33-F37 HydrophobicContact CG1-CD2 3.98Å; V33-F37 HydrophobicContact CG1-CE2 4.09Å; V33-F37 VanDerWaalsContact O-CD2 3.26Å; V33-F37 WeakPolarHBondContact O-CD2 3.05Å; V33-F37 PolarHBondContact O-N 3.39Å; V33-L50 HydrophobicContact CG1-CD1 4.23Å; V33-L50 HydrophobicContact CG1-CD2 3.79Å
34	F	94.5	Very high	92.3	Very high	20 Å²	20	69.7 Å²	69.7	9%	0.088	37%	0.367	C	S	.	.	H	α-helix	trans	-58.7	-49.1	178.2	168.9	-116.4	0	0	0	112.1	A30 S31 F37 S38 R47 L50 Q51	A30-F34 WeakPolarHBondContact O-CB 3.42Å; A30-F34 PolarHBondContact O-N 2.89Å; S31-F34 PolarHBondContact O-N 3.48Å; F34-F37 PolarHBondContact O-N 3.07Å; F34-S38 WeakPolarHBondContact O-CB 3.32Å; F34-S38 PolarHBondContact O-N 3.15Å; F34-S38 PolarHBondContact O-OG 3.37Å; F34-R47 HydrophobicContact CE2-CG 4.13Å; F34-L50 HydrophobicContact CB-CB 4.25Å; F34-L50 HydrophobicContact CD2-CB 3.91Å; F34-Q51 HydrophobicContact CD2-CB 4.06Å; F34-Q51 HydrophobicContact CE2-CB 3.55Å; F34-Q51 HydrophobicContact CE2-CG 4.04Å; F34-Q51 HydrophobicContact CZ-CB 3.99Å; F34-Q51 HydrophobicContact CZ-CG 3.94Å
35	H	92.9	Very high	91.9	Very high	64 Å²	64	79.2 Å²	79.2	30%	0.296	40%	0.401	S	S	.	.	H	α-helix	trans	-71.2	-34.9	-179	-74.6	-59.9	0	0	0	112.9	S31 S32 V33 S38 L39 H160 H164	S31-H35 WeakPolarHBondContact O-CB 3.27Å; S31-H35 PolarHBondContact O-CD2 2.94Å; S31-H35 PolarHBondContact O-N 3.37Å; S32-H35 PolarHBondContact O-N 2.9Å; V33-H35 PolarHBondContact O-N 3.14Å; H35-S38 PolarHBondContact O-N 3.34Å; H35-L39 PolarHBondContact O-N 3.21Å; H35-H160 AromaticContact CE1-CD2 3.97Å; H35-H160 AromaticContact CE1-NE2 3.2Å; H35-H160 PolarHBondContact CE1-NE2 3.08Å; H35-H160 AromaticContact NE2-NE2 3.24Å; H35-H160 PolarHBondContact NE2-NE2 2.95Å; H35-H164 AromaticContact CD2-NE2 3.82Å; H35-H164 AromaticContact NE2-CE1 3.92Å; H35-H164 AromaticContact NE2-NE2 3.44Å; H35-H164 PolarHBondContact NE2-NE2 2.89Å
36	L	94	Very high	91.5	Very high	87 Å²	87	79.3 Å²	79.3	46%	0.455	40%	0.398	S	S	.	.	H	α-helix	trans	-61	-46.9	173.4	-179.2	64.8	0	0	0	111.4	S32 V33 S38 L39 F40	S32-L36 WeakPolarHBondContact O-CB 3.47Å; S32-L36 PolarHBondContact O-N 3.12Å; V33-L36 PolarHBondContact O-N 2.93Å; L36-S38 VanDerWaalsContact C-N 3.32Å; L36-S38 PolarHBondContact O-N 3.13Å; L36-L39 WeakPolarHBondContact O-CB 3.23Å; L36-L39 PolarHBondContact O-N 3.45Å; L36-F40 HydrophobicContact CD1-CD2 4.36Å; L36-F40 HydrophobicContact CD1-CE2 3.58Å; L36-F40 HydrophobicContact CD1-CZ 4.32Å; L36-F40 HydrophobicContact CG-CD2 4.35Å; L36-F40 HydrophobicContact CG-CE2 3.88Å; L36-F40 WeakPolarHBondContact O-CD2 3.28Å; L36-F40 PolarHBondContact O-N 3.27Å
37	F	92	Very high	91.1	Very high	72 Å²	72	81.5 Å²	81.5	32%	0.316	40%	0.399	S	S	.	.	H	α-helix	trans	-69.2	-32.8	177.8	-85.3	-107.1	0	0	0	112.4	V33 F34 L39 F40 I42 L46 L50	V33-F37 HydrophobicContact CG1-CD2 3.98Å; V33-F37 HydrophobicContact CG1-CE2 4.09Å; V33-F37 VanDerWaalsContact O-CD2 3.26Å; V33-F37 WeakPolarHBondContact O-CD2 3.05Å; V33-F37 PolarHBondContact O-N 3.39Å; F34-F37 PolarHBondContact O-N 3.07Å; F37-L39 VanDerWaalsContact C-N 3.3Å; F37-L39 PolarHBondContact O-N 3.35Å; F37-F40 PolarHBondContact O-N 2.97Å; F37-I42 HydrophobicContact CB-CD1 4.46Å; F37-I42 HydrophobicContact CD1-CD1 3.36Å; F37-I42 HydrophobicContact CE1-CD1 3.84Å; F37-I42 HydrophobicContact CG-CD1 4.19Å; F37-I42 PolarHBondContact O-N 2.59Å; F37-L46 HydrophobicContact CD1-CD2 3.79Å; F37-L46 HydrophobicContact CE1-CD2 3.75Å; F37-L50 HydrophobicContact CB-CD1 3.78Å; F37-L50 HydrophobicContact CD1-CD1 4.19Å; F37-L50 HydrophobicContact CD2-CD1 4.22Å; F37-L50 HydrophobicContact CG-CD1 3.8Å
38	S	89.2	Confident	90.7	Very high	32 Å²	32	83.1 Å²	83.1	22%	0.224	41%	0.411	C	S	.	.	H	α-helix	trans	-66	-33	173.5	-61.7	0	0	0	0	112.1	F34 H35 L36 Y41	F34-S38 WeakPolarHBondContact O-CB 3.32Å; F34-S38 PolarHBondContact O-N 3.15Å; F34-S38 PolarHBondContact O-OG 3.37Å; H35-S38 PolarHBondContact O-N 3.34Å; L36-S38 VanDerWaalsContact C-N 3.32Å; L36-S38 PolarHBondContact O-N 3.13Å; S38-Y41 PolarHBondContact O-N 3.35Å
39	L	89.8	Confident	90.5	Very high	116 Å²	116	83.2 Å²	83.2	61%	0.607	42%	0.417	S	S	*	.	H	α-helix	trans	-65.1	-37.3	175	-179.5	67	0	0	0	112.3	H35 L36 F37 Y41	H35-L39 PolarHBondContact O-N 3.21Å; L36-L39 WeakPolarHBondContact O-CB 3.23Å; L36-L39 PolarHBondContact O-N 3.45Å; F37-L39 VanDerWaalsContact C-N 3.3Å; F37-L39 PolarHBondContact O-N 3.35Å; L39-Y41 WeakPolarHBondContact O-CD2 3.22Å; L39-Y41 PolarHBondContact O-N 3.03Å; L39-Y41 VanDerWaalsContact O-N 3.16Å
40	F	90.9	Very high	90.3	Very high	134 Å²	134	78 Å²	78	59%	0.588	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	13	176.4	-67.1	-66.1	0	0	0	113.8	L36 F37 I42	L36-F40 HydrophobicContact CD1-CD2 4.36Å; L36-F40 HydrophobicContact CD1-CE2 3.58Å; L36-F40 HydrophobicContact CD1-CZ 4.32Å; L36-F40 HydrophobicContact CG-CD2 4.35Å; L36-F40 HydrophobicContact CG-CE2 3.88Å; L36-F40 WeakPolarHBondContact O-CD2 3.28Å; L36-F40 PolarHBondContact O-N 3.27Å; F37-F40 PolarHBondContact O-N 2.97Å; F40-I42 HydrophobicContact CB-CD1 4.02Å; F40-I42 HydrophobicContact CB-CG1 4.05Å; F40-I42 PolarHBondContact O-N 3.44Å; F40-I42 VanDerWaalsContact O-N 3.08Å
41	Y	79.4	Confident	90.1	Very high	197 Å²	197	78.6 Å²	78.6	77%	0.773	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	27.2	-178.9	-58.6	-83.4	0	0	0	114.1	S38 L39 N43	S38-Y41 PolarHBondContact O-N 3.35Å; L39-Y41 WeakPolarHBondContact O-CD2 3.22Å; L39-Y41 PolarHBondContact O-N 3.03Å; L39-Y41 VanDerWaalsContact O-N 3.16Å; Y41-N43 PolarHBondContact O-N 3.22Å; Y41-N43 VanDerWaalsContact O-N 3.09Å
42	I	76.5	Confident	89.9	Confident	58 Å²	58	78.9 Å²	78.9	30%	0.297	40%	0.396	S	S	.	.			trans	-71.6	108.6	177.7	-63.5	170.2	0	0	0	107.8	F37 F40 L46 R47	F37-I42 HydrophobicContact CB-CD1 4.46Å; F37-I42 HydrophobicContact CD1-CD1 3.36Å; F37-I42 HydrophobicContact CE1-CD1 3.84Å; F37-I42 HydrophobicContact CG-CD1 4.19Å; F37-I42 PolarHBondContact O-N 2.59Å; F40-I42 HydrophobicContact CB-CD1 4.02Å; F40-I42 HydrophobicContact CB-CG1 4.05Å; F40-I42 PolarHBondContact O-N 3.44Å; F40-I42 VanDerWaalsContact O-N 3.08Å; I42-L46 HydrophobicContact CG2-CD2 4.24Å; I42-R47 WeakPolarHBondContact O-CB 3.18Å
43	N	77.8	Confident	89.9	Confident	116 Å²	116	78.3 Å²	78.3	62%	0.62	39%	0.391	S	S	*	.			trans	-105.7	159.3	178.5	-79.7	-39.9	0	0	0	111.7	Y41 R47	Y41-N43 PolarHBondContact O-N 3.22Å; Y41-N43 VanDerWaalsContact O-N 3.09Å; N43-R47 PolarHBondContact OD1-NH1 3.16Å
44	G	86.7	Confident	89.8	Confident	49 Å²	49	77.8 Å²	77.8	51%	0.505	39%	0.387	S	S	.	.	S	Bend	trans	107.4	-152.5	177.1	0	0	0	0	0	114	L46 R47 S48	G44-L46 VanDerWaalsContact C-N 3.33Å; G44-L46 PolarHBondContact O-N 2.83Å; G44-R47 PolarHBondContact O-N 3.24Å; G44-S48 PolarHBondContact O-N 2.92Å
45	R	89	Confident	89.8	Confident	223 Å²	223	77.9 Å²	77.9	84%	0.842	39%	0.387	S	S	*	.	H	α-helix	trans	-59.6	-39.4	-170.2	-165.7	176.9	-169.4	179.3	3.5	113	S48 T49	R45-S48 PolarHBondContact O-N 3.44Å; R45-T49 PolarHBondContact O-N 3.46Å; R45-T49 PolarHBondContact O-OG1 2.68Å
46	L	90.3	Very high	90	Very high	83 Å²	83	77.1 Å²	77.1	44%	0.435	38%	0.384	S	S	.	.	H	α-helix	trans	-62.3	-46.1	-179.3	179.8	58.7	0	0	0	112	F37 I42 G44 S48 T49 L50	F37-L46 HydrophobicContact CD1-CD2 3.79Å; F37-L46 HydrophobicContact CE1-CD2 3.75Å; I42-L46 HydrophobicContact CG2-CD2 4.24Å; G44-L46 VanDerWaalsContact C-N 3.33Å; G44-L46 PolarHBondContact O-N 2.83Å; L46-S48 PolarHBondContact O-N 3.48Å; L46-T49 PolarHBondContact O-N 3.45Å; L46-L50 HydrophobicContact CD1-CD1 4.2Å; L46-L50 HydrophobicContact CD1-CG 4.17Å; L46-L50 HydrophobicContact CG-CD1 4.13Å; L46-L50 HydrophobicContact CG-CG 4.49Å; L46-L50 WeakPolarHBondContact O-CG 3.33Å; L46-L50 PolarHBondContact O-N 3.38Å
47	R	89.7	Confident	90.1	Very high	99 Å²	99	74.1 Å²	74.1	37%	0.374	37%	0.37	S	S	.	.	H	α-helix	trans	-61	-45.4	178	-177.9	177.8	172.4	-131	-10	111.5	F34 I42 N43 G44 T49 L50 Q51	F34-R47 HydrophobicContact CE2-CG 4.13Å; I42-R47 WeakPolarHBondContact O-CB 3.18Å; N43-R47 PolarHBondContact OD1-NH1 3.16Å; G44-R47 PolarHBondContact O-N 3.24Å; R47-T49 VanDerWaalsContact C-N 3.35Å; R47-T49 PolarHBondContact O-N 3.45Å; R47-L50 PolarHBondContact O-N 2.89Å; R47-Q51 VanDerWaalsContact O-CB 3.29Å; R47-Q51 WeakPolarHBondContact O-CB 3.44Å; R47-Q51 PolarHBondContact O-N 3.37Å
48	S	90.5	Very high	90.3	Very high	47 Å²	47	72.8 Å²	72.8	33%	0.329	37%	0.365	S	S	.	.	H	α-helix	trans	-61.7	-41.5	177.3	-179.1	0	0	0	0	112	G44 R45 L46 L52	G44-S48 PolarHBondContact O-N 2.92Å; R45-S48 PolarHBondContact O-N 3.44Å; L46-S48 PolarHBondContact O-N 3.48Å; S48-L52 WeakPolarHBondContact O-CB 3.38Å; S48-L52 PolarHBondContact O-N 3.41Å
49	T	92.1	Very high	90.7	Very high	69 Å²	69	71.2 Å²	71.2	42%	0.423	35%	0.354	S	S	.	.	H	α-helix	trans	-63.6	-45.4	174.5	-58.2	0	0	0	0	111.9	R45 L46 R47 L52 C53	R45-T49 PolarHBondContact O-N 3.46Å; R45-T49 PolarHBondContact O-OG1 2.68Å; L46-T49 PolarHBondContact O-N 3.45Å; R47-T49 VanDerWaalsContact C-N 3.35Å; R47-T49 PolarHBondContact O-N 3.45Å; T49-L52 PolarHBondContact O-N 2.88Å; T49-C53 PolarHBondContact O-N 3.19Å; T49-C53 PolarHBondContact O-SG 3.46Å
50	L	94.1	Very high	91.1	Very high	31 Å²	31	69 Å²	69	16%	0.162	34%	0.343	C	S	.	.	H	α-helix	trans	-64.5	-41.1	179.4	-71.4	175.4	0	0	0	112	V33 F34 F37 L46 R47 L52 C53 D54	V33-L50 HydrophobicContact CG1-CD1 4.23Å; V33-L50 HydrophobicContact CG1-CD2 3.79Å; F34-L50 HydrophobicContact CB-CB 4.25Å; F34-L50 HydrophobicContact CD2-CB 3.91Å; F37-L50 HydrophobicContact CB-CD1 3.78Å; F37-L50 HydrophobicContact CD1-CD1 4.19Å; F37-L50 HydrophobicContact CD2-CD1 4.22Å; F37-L50 HydrophobicContact CG-CD1 3.8Å; L46-L50 HydrophobicContact CD1-CD1 4.2Å; L46-L50 HydrophobicContact CD1-CG 4.17Å; L46-L50 HydrophobicContact CG-CD1 4.13Å; L46-L50 HydrophobicContact CG-CG 4.49Å; L46-L50 WeakPolarHBondContact O-CG 3.33Å; L46-L50 PolarHBondContact O-N 3.38Å; R47-L50 PolarHBondContact O-N 2.89Å; L50-L52 VanDerWaalsContact C-N 3.34Å; L50-C53 PolarHBondContact O-N 2.99Å; L50-D54 PolarHBondContact O-N 3.17Å
51	Q	93	Very high	91.4	Very high	30 Å²	30	63.1 Å²	63.1	14%	0.14	32%	0.317	C	S	.	.	H	α-helix	trans	-61.5	-43.5	174.7	-172	179.1	-6.9	0	0	111.4	F34 R47 D54 R55 D103	F34-Q51 HydrophobicContact CD2-CB 4.06Å; F34-Q51 HydrophobicContact CE2-CB 3.55Å; F34-Q51 HydrophobicContact CE2-CG 4.04Å; F34-Q51 HydrophobicContact CZ-CB 3.99Å; F34-Q51 HydrophobicContact CZ-CG 3.94Å; R47-Q51 VanDerWaalsContact O-CB 3.29Å; R47-Q51 WeakPolarHBondContact O-CB 3.44Å; R47-Q51 PolarHBondContact O-N 3.37Å; Q51-D54 PolarHBondContact O-N 3.4Å; Q51-R55 WeakPolarHBondContact O-CG 3.2Å; Q51-R55 PolarHBondContact O-N 2.64Å; Q51-R55 VanDerWaalsContact O-N 3.08Å; Q51-D103 PolarHBondContact NE2-OD1 3.31Å; Q51-D103 PolarHBondContact NE2-OD2 2.89Å
52	L	93.6	Very high	92.3	Very high	23 Å²	23	54.6 Å²	54.6	12%	0.12	28%	0.284	C	S	.	.	H	α-helix	trans	-64.2	-42.8	175.9	176.3	58.5	0	0	0	111.9	S48 T49 L50 D54 R55 I56 Q98 Y99 L102	S48-L52 WeakPolarHBondContact O-CB 3.38Å; S48-L52 PolarHBondContact O-N 3.41Å; T49-L52 PolarHBondContact O-N 2.88Å; L50-L52 VanDerWaalsContact C-N 3.34Å; L52-D54 VanDerWaalsContact C-N 3.34Å; L52-D54 PolarHBondContact O-N 3.28Å; L52-R55 PolarHBondContact O-N 3.19Å; L52-I56 HydrophobicContact CD1-CD1 3.78Å; L52-I56 HydrophobicContact CD1-CG1 4.03Å; L52-I56 HydrophobicContact CG-CD1 3.88Å; L52-I56 HydrophobicContact CG-CG1 4.49Å; L52-I56 WeakPolarHBondContact O-CG1 3.36Å; L52-I56 PolarHBondContact O-N 3.34Å; L52-Q98 VanDerWaalsContact CD1-C 3.5Å; L52-Q98 HydrophobicContact CD1-CB 3.97Å; L52-Q98 WeakPolarHBondContact CD1-O 3.36Å; L52-Y99 HydrophobicContact CD2-CD2 3.72Å; L52-Y99 HydrophobicContact CD2-CE2 4.31Å; L52-L102 HydrophobicContact CB-CD2 4.38Å; L52-L102 HydrophobicContact CD1-CD2 4.24Å; L52-L102 HydrophobicContact CD2-CD2 4.12Å; L52-L102 HydrophobicContact CG-CD2 4.49Å
53	C	95.3	Very high	93.3	Very high	60 Å²	60	51.8 Å²	51.8	41%	0.405	27%	0.27	S	S	.	.	H	α-helix	trans	-58.9	-45.6	174.7	-71.9	0	0	0	0	111.5	T49 L50 R55 I56 V57	T49-C53 PolarHBondContact O-N 3.19Å; T49-C53 PolarHBondContact O-SG 3.46Å; L50-C53 PolarHBondContact O-N 2.99Å; C53-R55 VanDerWaalsContact C-N 3.34Å; C53-R55 PolarHBondContact O-N 3.5Å; C53-I56 PolarHBondContact O-N 2.86Å; C53-V57 WeakPolarHBondContact O-CB 3.33Å; C53-V57 VanDerWaalsContact O-CG2 3.24Å; C53-V57 WeakPolarHBondContact O-CG2 3.46Å; C53-V57 PolarHBondContact O-N 3.4Å
54	D	95	Very high	94.3	Very high	23 Å²	23	46.4 Å²	46.4	12%	0.123	24%	0.241	C	C	.	.	H	α-helix	trans	-57	-46.9	177.1	-171.8	61.9	0	0	0	111.5	S31 L50 Q51 L52 V57 I58	S31-D54 WeakPolarHBondContact CA-OD1 3.46Å; S31-D54 VanDerWaalsContact CB-OD1 3.23Å; S31-D54 WeakPolarHBondContact CB-OD1 3.45Å; S31-D54 PolarHBondContact N-OD1 3.31Å; S31-D54 VanDerWaalsContact N-OD1 3.16Å; L50-D54 PolarHBondContact O-N 3.17Å; Q51-D54 PolarHBondContact O-N 3.4Å; L52-D54 VanDerWaalsContact C-N 3.34Å; L52-D54 PolarHBondContact O-N 3.28Å; D54-V57 PolarHBondContact O-N 3.02Å; D54-I58 WeakPolarHBondContact O-CG1 3.48Å; D54-I58 PolarHBondContact O-N 2.99Å
55	R	94.2	Very high	94.8	Very high	23 Å²	23	44.8 Å²	44.8	9%	0.087	22%	0.223	C	C	.	.	H	α-helix	trans	-62.7	-46	177.1	-71.2	-176	165.9	149.5	15.3	114.1	Q51 L52 C53 V57 I58 Q98 L102 D103 E109 Y113	Q51-R55 WeakPolarHBondContact O-CG 3.2Å; Q51-R55 PolarHBondContact O-N 2.64Å; Q51-R55 VanDerWaalsContact O-N 3.08Å; L52-R55 PolarHBondContact O-N 3.19Å; C53-R55 VanDerWaalsContact C-N 3.34Å; C53-R55 PolarHBondContact O-N 3.5Å; R55-V57 VanDerWaalsContact C-N 3.3Å; R55-V57 PolarHBondContact O-N 3.21Å; R55-I58 WeakPolarHBondContact O-CB 3.49Å; R55-I58 PolarHBondContact O-N 3.01Å; R55-Q98 HydrophobicContact CB-CB 4.16Å; R55-Q98 HydrophobicContact CB-CG 3.97Å; R55-L102 VanDerWaalsContact NH1-C 3.25Å; R55-L102 PolarHBondContact NH1-O 3.05Å; R55-D103 IonicContact CZ-OD1 3.42Å; R55-D103 IonicContact NH1-OD1 3.12Å; R55-D103 PolarHBondContact NH1-OD1 3.37Å; R55-D103 IonicContact NH2-OD1 3.77Å; R55-D103 PolarHBondContact NH2-OD1 3.44Å; R55-E109 WeakPolarHBondContact CD-OE1 3.5Å; R55-E109 VanDerWaalsContact CG-OE1 3.27Å; R55-E109 WeakPolarHBondContact CG-OE1 3.41Å; R55-E109 IonicContact CZ-OE2 3.03Å; R55-E109 IonicContact NE-OE1 2.82Å; R55-E109 PolarHBondContact NE-OE1 3.03Å; R55-E109 IonicContact NE-OE2 3.94Å; R55-E109 PolarHBondContact NE-OE2 2.97Å; R55-E109 VanDerWaalsContact NE-OE2 3.12Å; R55-E109 IonicContact NH2-OE2 3.92Å; R55-Y113 PolarHBondContact O-OH 3.31Å
56	I	95.9	Very high	95.3	Very high	47 Å²	47	35.3 Å²	35.3	24%	0.241	19%	0.187	C	C	.	.	H	α-helix	trans	-63.9	-40.2	178.9	-69.6	171.5	0	0	0	110.4	L52 C53 I58 C59 L60 Q98	L52-I56 HydrophobicContact CD1-CD1 3.78Å; L52-I56 HydrophobicContact CD1-CG1 4.03Å; L52-I56 HydrophobicContact CG-CD1 3.88Å; L52-I56 HydrophobicContact CG-CG1 4.49Å; L52-I56 WeakPolarHBondContact O-CG1 3.36Å; L52-I56 PolarHBondContact O-N 3.34Å; C53-I56 PolarHBondContact O-N 2.86Å; I56-I58 VanDerWaalsContact C-N 3.26Å; I56-I58 PolarHBondContact O-N 3.49Å; I56-C59 WeakPolarHBondContact O-CB 3.27Å; I56-C59 PolarHBondContact O-N 3.39Å; I56-C59 VanDerWaalsContact O-N 3.15Å; I56-L60 HydrophobicContact CG2-CD1 4.12Å; I56-L60 HydrophobicContact CG2-CG 4.4Å; I56-L60 PolarHBondContact O-N 2.81Å; I56-L60 VanDerWaalsContact O-N 3.13Å; I56-Q98 HydrophobicContact CG1-CB 4.23Å
57	V	97.4	Very high	95.6	Very high	25 Å²	25	31.7 Å²	31.7	15%	0.152	17%	0.168	C	C	.	.	H	α-helix	trans	-63.3	-32.1	179.3	169.3	0	0	0	0	111.7	L27 A30 C53 D54 R55 L60 F61	L27-V57 VanDerWaalsContact CA-CG1 3.44Å; L27-V57 HydrophobicContact CB-CG1 4.06Å; L27-V57 HydrophobicContact CD1-CG1 4.1Å; A30-V57 HydrophobicContact CB-CB 4.46Å; A30-V57 HydrophobicContact CB-CG2 4.23Å; C53-V57 WeakPolarHBondContact O-CB 3.33Å; C53-V57 VanDerWaalsContact O-CG2 3.24Å; C53-V57 WeakPolarHBondContact O-CG2 3.46Å; C53-V57 PolarHBondContact O-N 3.4Å; D54-V57 PolarHBondContact O-N 3.02Å; R55-V57 VanDerWaalsContact C-N 3.3Å; R55-V57 PolarHBondContact O-N 3.21Å; V57-L60 PolarHBondContact O-N 3.16Å; V57-F61 WeakPolarHBondContact O-CB 3.3Å; V57-F61 PolarHBondContact O-N 3.46Å
58	I	96.8	Very high	96	Very high	43 Å²	43	27 Å²	27	22%	0.221	15%	0.15	C	C	.	.	H	α-helix	trans	-60.2	-47	172.7	-66	167.2	0	0	0	111.1	L27 D54 R55 I56 L60 F61 I62 Y113	L27-I58 HydrophobicContact CD1-CG1 3.86Å; D54-I58 WeakPolarHBondContact O-CG1 3.48Å; D54-I58 PolarHBondContact O-N 2.99Å; R55-I58 WeakPolarHBondContact O-CB 3.49Å; R55-I58 PolarHBondContact O-N 3.01Å; I56-I58 VanDerWaalsContact C-N 3.26Å; I56-I58 PolarHBondContact O-N 3.49Å; I58-L60 PolarHBondContact O-N 3.38Å; I58-F61 PolarHBondContact O-N 3.36Å; I58-I62 HydrophobicContact CG2-CD1 4.18Å; I58-I62 WeakPolarHBondContact O-CG1 3.37Å; I58-I62 PolarHBondContact O-N 3.44Å; I58-Y113 HydrophobicContact CB-CE1 4.48Å; I58-Y113 HydrophobicContact CD1-CE2 4.37Å; I58-Y113 HydrophobicContact CG2-CD1 4.14Å; I58-Y113 HydrophobicContact CG2-CD2 4.11Å; I58-Y113 HydrophobicContact CG2-CE1 4.14Å; I58-Y113 HydrophobicContact CG2-CE2 4.12Å; I58-Y113 HydrophobicContact CG2-CG 4.13Å
59	C	96.6	Very high	96.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-58	-48.3	175.9	-78.6	0	0	0	0	112.1	I56 F61 I62 A63 A91 G94 Y113	I56-C59 WeakPolarHBondContact O-CB 3.27Å; I56-C59 PolarHBondContact O-N 3.39Å; I56-C59 VanDerWaalsContact O-N 3.15Å; C59-F61 VanDerWaalsContact C-N 3.32Å; C59-F61 PolarHBondContact O-N 3.49Å; C59-I62 PolarHBondContact O-N 3.18Å; C59-A63 PolarHBondContact O-N 3Å; C59-A91 HydrophobicContact CB-CB 4.36Å; C59-A91 WeakPolarHBondContact CB-O 3.49Å; C59-A91 VanDerWaalsContact O-CB 3.27Å; C59-A91 WeakPolarHBondContact O-CB 3.24Å; C59-G94 VanDerWaalsContact SG-C 3.52Å; C59-Y113 WeakPolarHBondContact SG-CE1 3.36Å
60	L	97.4	Very high	96.7	Very high	69 Å²	69	22 Å²	22	36%	0.361	12%	0.117	S	C	.	.	H	α-helix	trans	-65	-38.2	180	-64	177.4	0	0	0	111.8	I56 V57 I58 A63 A64 W88	I56-L60 HydrophobicContact CG2-CD1 4.12Å; I56-L60 HydrophobicContact CG2-CG 4.4Å; I56-L60 PolarHBondContact O-N 2.81Å; I56-L60 VanDerWaalsContact O-N 3.13Å; V57-L60 PolarHBondContact O-N 3.16Å; I58-L60 PolarHBondContact O-N 3.38Å; L60-A63 PolarHBondContact O-N 3.25Å; L60-A64 VanDerWaalsContact O-CB 3.3Å; L60-A64 WeakPolarHBondContact O-CB 3.36Å; L60-A64 PolarHBondContact O-N 3.15Å; L60-W88 HydrophobicContact CD2-CZ3 4.19Å
61	F	98.3	Very high	96.8	Very high	11 Å²	11	23.4 Å²	23.4	5%	0.048	13%	0.125	C	C	.	.	H	α-helix	trans	-62.9	-40.8	176.6	172	-102.5	0	0	0	112	Y20 A23 I24 L27 V57 I58 C59 A63 A64 S65 Y143 I171	Y20-F61 HydrophobicContact CE2-CE2 4.28Å; A23-F61 HydrophobicContact CB-CD2 4.02Å; I24-F61 HydrophobicContact CG1-CE2 3.78Å; L27-F61 HydrophobicContact CB-CD2 4.46Å; L27-F61 HydrophobicContact CB-CG 4.48Å; L27-F61 HydrophobicContact CD1-CB 4.27Å; L27-F61 HydrophobicContact CD1-CG 4.4Å; L27-F61 HydrophobicContact CD2-CD1 3.86Å; L27-F61 HydrophobicContact CD2-CD2 4.12Å; L27-F61 HydrophobicContact CD2-CE1 4.07Å; L27-F61 HydrophobicContact CD2-CE2 4.33Å; L27-F61 HydrophobicContact CD2-CG 3.9Å; L27-F61 HydrophobicContact CD2-CZ 4.32Å; V57-F61 WeakPolarHBondContact O-CB 3.3Å; V57-F61 PolarHBondContact O-N 3.46Å; I58-F61 PolarHBondContact O-N 3.36Å; C59-F61 VanDerWaalsContact C-N 3.32Å; C59-F61 PolarHBondContact O-N 3.49Å; F61-A63 PolarHBondContact O-N 3.48Å; F61-A64 PolarHBondContact O-N 3.25Å; F61-S65 WeakPolarHBondContact O-CB 3.19Å; F61-S65 PolarHBondContact O-N 3.16Å; F61-Y143 WeakPolarHBondContact CE1-OH 3.28Å; F61-I171 HydrophobicContact CE1-CD1 4.35Å; F61-I171 HydrophobicContact CE1-CG1 4.33Å; F61-I171 HydrophobicContact CE2-CD1 4.46Å; F61-I171 HydrophobicContact CZ-CD1 3.95Å; F61-I171 HydrophobicContact CZ-CG1 3.78Å
62	I	97.4	Very high	97	Very high	17 Å²	17	24.1 Å²	24.1	9%	0.087	13%	0.129	C	C	.	.	H	α-helix	trans	-59.7	-47.9	175.4	-66.4	164.6	0	0	0	110.6	I58 C59 A64 S65 Y66 I116	I58-I62 HydrophobicContact CG2-CD1 4.18Å; I58-I62 WeakPolarHBondContact O-CG1 3.37Å; I58-I62 PolarHBondContact O-N 3.44Å; C59-I62 PolarHBondContact O-N 3.18Å; I62-A64 PolarHBondContact O-N 3.03Å; I62-S65 PolarHBondContact O-N 3.31Å; I62-S65 PolarHBondContact O-OG 2.8Å; I62-Y66 HydrophobicContact CG2-CE2 4.46Å; I62-Y66 WeakPolarHBondContact O-CD2 3.36Å; I62-Y66 PolarHBondContact O-N 3.32Å; I62-I116 HydrophobicContact CG2-CB 4.44Å; I62-I116 HydrophobicContact CG2-CG2 3.83Å
63	A	98.3	Very high	97.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-65.3	-40.3	177.3	0	0	0	0	0	112.9	C59 L60 F61 S65 Y66 T67 V87 W88 A91	C59-A63 PolarHBondContact O-N 3Å; L60-A63 PolarHBondContact O-N 3.25Å; F61-A63 PolarHBondContact O-N 3.48Å; A63-S65 VanDerWaalsContact C-N 3.32Å; A63-S65 PolarHBondContact O-N 3.33Å; A63-Y66 PolarHBondContact O-N 3.4Å; A63-T67 PolarHBondContact O-N 3.14Å; A63-T67 PolarHBondContact O-OG1 3.05Å; A63-T67 VanDerWaalsContact O-OG1 3.05Å; A63-V87 HydrophobicContact CB-CG1 4.21Å; A63-V87 HydrophobicContact CB-CG2 4.14Å; A63-W88 HydrophobicContact CB-CD2 3.71Å; A63-W88 HydrophobicContact CB-CE3 3.99Å; A63-W88 HydrophobicContact CB-CG 4.03Å; A63-W88 HydrophobicContact CB-CZ2 4.29Å; A63-W88 HydrophobicContact CB-CZ3 4.4Å; A63-A91 HydrophobicContact CB-CB 3.67Å
64	A	98.4	Very high	97.1	Very high	2 Å²	2	27.4 Å²	27.4	2%	0.017	14%	0.14	C	C	.	.	H	α-helix	trans	-66.3	-32.3	177.9	0	0	0	0	0	112.8	V19 A23 L60 F61 I62 Y66 T67 P68 W88	V19-A64 HydrophobicContact CG1-CB 3.89Å; A23-A64 HydrophobicContact CB-CB 3.3Å; L60-A64 VanDerWaalsContact O-CB 3.3Å; L60-A64 WeakPolarHBondContact O-CB 3.36Å; L60-A64 PolarHBondContact O-N 3.15Å; F61-A64 PolarHBondContact O-N 3.25Å; I62-A64 PolarHBondContact O-N 3.03Å; A64-Y66 VanDerWaalsContact C-N 3.32Å; A64-Y66 PolarHBondContact O-N 2.9Å; A64-T67 WeakPolarHBondContact O-CB 3.35Å; A64-T67 PolarHBondContact O-N 3.03Å; A64-P68 VanDerWaalsContact O-CD 3.3Å; A64-P68 WeakPolarHBondContact O-CD 3.49Å; A64-W88 HydrophobicContact CB-CH2 4.41Å; A64-W88 HydrophobicContact CB-CZ2 4.27Å
65	S	98	Very high	97.2	Very high	16 Å²	16	26.9 Å²	26.9	11%	0.112	14%	0.137	C	C	.	.	H	α-helix	trans	-69.4	-29.7	178.5	75.3	0	0	0	0	113	F61 I62 A63	F61-S65 WeakPolarHBondContact O-CB 3.19Å; F61-S65 PolarHBondContact O-N 3.16Å; I62-S65 PolarHBondContact O-N 3.31Å; I62-S65 PolarHBondContact O-OG 2.8Å; A63-S65 VanDerWaalsContact C-N 3.32Å; A63-S65 PolarHBondContact O-N 3.33Å
66	Y	98.2	Very high	97.3	Very high	24 Å²	24	31.1 Å²	31.1	9%	0.094	16%	0.157	C	C	.	.	H	α-helix	trans	-75.5	-25.7	171.5	-86.4	-76.7	0	0	0	113.6	I62 A63 A64 W69 L70 V87 S117 P120 A121 F124	I62-Y66 HydrophobicContact CG2-CE2 4.46Å; I62-Y66 WeakPolarHBondContact O-CD2 3.36Å; I62-Y66 PolarHBondContact O-N 3.32Å; A63-Y66 PolarHBondContact O-N 3.4Å; A64-Y66 VanDerWaalsContact C-N 3.32Å; A64-Y66 PolarHBondContact O-N 2.9Å; Y66-W69 WeakPolarHBondContact O-CB 3.29Å; Y66-W69 PolarHBondContact O-N 3.34Å; Y66-L70 HydrophobicContact CD1-CD1 4.19Å; Y66-L70 HydrophobicContact CD1-CG 4.39Å; Y66-L70 HydrophobicContact CG-CD1 4.35Å; Y66-L70 WeakPolarHBondContact O-CG 3.4Å; Y66-L70 PolarHBondContact O-N 3.36Å; Y66-V87 HydrophobicContact CD2-CG2 4.07Å; Y66-S117 PolarHBondContact OH-O 3.41Å; Y66-P120 HydrophobicContact CD1-CB 4.26Å; Y66-P120 HydrophobicContact CD2-CB 4.49Å; Y66-P120 HydrophobicContact CE1-CB 3.97Å; Y66-P120 HydrophobicContact CE2-CB 4.22Å; Y66-P120 HydrophobicContact CE2-CG 4.36Å; Y66-A121 WeakPolarHBondContact OH-CB 3.35Å; Y66-A121 PolarHBondContact OH-N 2.96Å; Y66-F124 HydrophobicContact CD1-CE1 4.15Å; Y66-F124 AromaticContact CD1-CZ 3.67Å; Y66-F124 HydrophobicContact CD1-CZ 3.67Å; Y66-F124 HydrophobicContact CE1-CE1 4.14Å; Y66-F124 AromaticContact CE1-CE2 3.91Å; Y66-F124 HydrophobicContact CE1-CE2 3.91Å; Y66-F124 AromaticContact CE1-CZ 3.47Å; Y66-F124 HydrophobicContact CE1-CZ 3.47Å; Y66-F124 VanDerWaalsContact CE1-CZ 3.47Å
67	T	98.2	Very high	97.1	Very high	6 Å²	6	32.7 Å²	32.7	4%	0.037	18%	0.177	C	C	.	.	H	α-helix	trans	-56.2	-47.6	-170.2	-64.6	0	0	0	0	113.6	V19 A63 A64 W69 L70 L71 L84 W88	V19-T67 HydrophobicContact CB-CG2 4.4Å; V19-T67 HydrophobicContact CG1-CG2 4.11Å; A63-T67 PolarHBondContact O-N 3.14Å; A63-T67 PolarHBondContact O-OG1 3.05Å; A63-T67 VanDerWaalsContact O-OG1 3.05Å; A64-T67 WeakPolarHBondContact O-CB 3.35Å; A64-T67 PolarHBondContact O-N 3.03Å; T67-W69 VanDerWaalsContact C-N 3.29Å; T67-W69 PolarHBondContact O-N 3.23Å; T67-L70 PolarHBondContact O-N 3.16Å; T67-L71 WeakPolarHBondContact O-CB 3.34Å; T67-L71 PolarHBondContact O-N 2.92Å; T67-L84 HydrophobicContact CG2-CD1 4.35Å; T67-W88 PolarHBondContact OG1-NE1 3.35Å; T67-W88 VanDerWaalsContact OG1-NE1 3.1Å
68	P	98.2	Very high	96.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-58.7	-40.1	176.6	-23.7	33.5	0	0	0	113	A16 Y20 A64 L72 V178 L182	A16-P68 HydrophobicContact CB-CB 4.19Å; A16-P68 HydrophobicContact CB-CG 4.27Å; Y20-P68 HydrophobicContact CD1-CG 4.11Å; Y20-P68 HydrophobicContact CG-CG 3.91Å; A64-P68 VanDerWaalsContact O-CD 3.3Å; A64-P68 WeakPolarHBondContact O-CD 3.49Å; P68-L72 HydrophobicContact CB-CD1 4.44Å; P68-L72 WeakPolarHBondContact O-CB 3.49Å; P68-L72 VanDerWaalsContact O-CG 3.28Å; P68-L72 WeakPolarHBondContact O-CG 3.42Å; P68-L72 PolarHBondContact O-N 3Å; P68-V178 HydrophobicContact CB-CG1 3.8Å; P68-V178 HydrophobicContact CB-CG2 4.08Å; P68-V178 HydrophobicContact CG-CG1 3.99Å; P68-V178 HydrophobicContact CG-CG2 4.18Å; P68-L182 HydrophobicContact CB-CD1 3.71Å
69	W	98.1	Very high	96.7	Very high	2 Å²	2	38 Å²	38	1%	0.008	20%	0.204	C	C	.	.	H	α-helix	trans	-68.4	-48.6	-178.9	-63.5	89.6	0	0	0	111.4	Y66 T67 L71 R73 F124 M127 L133 L136 A177 L182	Y66-W69 WeakPolarHBondContact O-CB 3.29Å; Y66-W69 PolarHBondContact O-N 3.34Å; T67-W69 VanDerWaalsContact C-N 3.29Å; T67-W69 PolarHBondContact O-N 3.23Å; W69-L71 VanDerWaalsContact C-N 3.34Å; W69-L71 PolarHBondContact O-N 3.49Å; W69-R73 HydrophobicContact CE3-CG 4.47Å; W69-R73 VanDerWaalsContact O-CB 3.25Å; W69-R73 WeakPolarHBondContact O-CB 3.47Å; W69-R73 PolarHBondContact O-N 3.12Å; W69-F124 HydrophobicContact CB-CE1 3.97Å; W69-F124 HydrophobicContact CB-CZ 3.91Å; W69-F124 HydrophobicContact CG-CZ 4.15Å; W69-M127 HydrophobicContact CB-CE 4.38Å; W69-M127 HydrophobicContact CE3-CE 4.08Å; W69-M127 HydrophobicContact CE3-SD 4.44Å; W69-L133 HydrophobicContact CE3-CD2 4.01Å; W69-L133 HydrophobicContact CH2-CD2 4.3Å; W69-L133 HydrophobicContact CZ3-CD2 3.71Å; W69-L133 HydrophobicContact CZ3-CG 4.35Å; W69-L136 HydrophobicContact CD2-CD2 4.02Å; W69-L136 HydrophobicContact CE3-CD2 4.42Å; W69-L136 HydrophobicContact CH2-CB 4.16Å; W69-L136 HydrophobicContact CH2-CD2 4.32Å; W69-L136 HydrophobicContact CZ2-CB 3.82Å; W69-L136 HydrophobicContact CZ2-CD1 3.99Å; W69-L136 HydrophobicContact CZ2-CD2 3.9Å; W69-L136 HydrophobicContact CZ2-CG 4.12Å; W69-A177 HydrophobicContact CH2-CB 4.14Å; W69-A177 HydrophobicContact CZ2-CB 3.71Å; W69-L182 HydrophobicContact CD2-CD1 3.67Å; W69-L182 HydrophobicContact CE3-CD1 4.04Å; W69-L182 HydrophobicContact CE3-CD2 4.24Å; W69-L182 HydrophobicContact CG-CD1 3.93Å; W69-L182 HydrophobicContact CZ2-CD1 4.26Å; W69-L182 HydrophobicContact CZ3-CD1 4.47Å; W69-L182 HydrophobicContact CZ3-CD2 4.42Å
70	L	97.6	Very high	96.7	Very high	9 Å²	9	38.2 Å²	38.2	5%	0.047	21%	0.206	C	C	.	.	H	α-helix	trans	-77.2	-20.3	-175	-60.5	178.3	0	0	0	113.4	Y66 T67 F75 A83 L84 V87 F124	Y66-L70 HydrophobicContact CD1-CD1 4.19Å; Y66-L70 HydrophobicContact CD1-CG 4.39Å; Y66-L70 HydrophobicContact CG-CD1 4.35Å; Y66-L70 WeakPolarHBondContact O-CG 3.4Å; Y66-L70 PolarHBondContact O-N 3.36Å; T67-L70 PolarHBondContact O-N 3.16Å; L70-F75 HydrophobicContact CD2-CE1 4.29Å; L70-F75 HydrophobicContact CD2-CE2 4.25Å; L70-F75 HydrophobicContact CD2-CZ 3.67Å; L70-A83 HydrophobicContact CD1-CB 3.9Å; L70-A83 HydrophobicContact CD2-CB 3.89Å; L70-L84 HydrophobicContact CB-CB 4.04Å; L70-L84 HydrophobicContact CB-CD1 4.23Å; L70-L84 HydrophobicContact CD1-CB 4.15Å; L70-L84 HydrophobicContact CD1-CD1 4.44Å; L70-V87 HydrophobicContact CD1-CG1 4.34Å; L70-F124 HydrophobicContact CD2-CD1 4.45Å; L70-F124 HydrophobicContact CD2-CE1 3.86Å
71	L	97	Very high	96.6	Very high	62 Å²	62	39.7 Å²	39.7	33%	0.325	21%	0.214	S	C	.	.	H	α-helix	trans	-94.2	-32.5	178.4	-171.6	63.9	0	0	0	113.4	S12 V15 A16 T67 W69	S12-L71 WeakPolarHBondContact O-CD2 3.36Å; V15-L71 HydrophobicContact CB-CD2 4.38Å; V15-L71 HydrophobicContact CG1-CD2 4.26Å; A16-L71 HydrophobicContact CB-CD2 4.31Å; T67-L71 WeakPolarHBondContact O-CB 3.34Å; T67-L71 PolarHBondContact O-N 2.92Å; W69-L71 VanDerWaalsContact C-N 3.34Å; W69-L71 PolarHBondContact O-N 3.49Å
72	L	97	Very high	96.5	Very high	44 Å²	44	42.8 Å²	42.8	23%	0.23	23%	0.233	C	C	.	.	H	α-helix	trans	-106.2	-18.7	-170.8	-55.1	176.9	0	0	0	114.2	K13 A16 P68 L182 I183	K13-L72 HydrophobicContact CG-CD1 4.28Å; K13-L72 HydrophobicContact CG-CD2 3.96Å; A16-L72 HydrophobicContact CB-CD1 3.88Å; A16-L72 HydrophobicContact CB-CG 4.22Å; P68-L72 HydrophobicContact CB-CD1 4.44Å; P68-L72 WeakPolarHBondContact O-CB 3.49Å; P68-L72 VanDerWaalsContact O-CG 3.28Å; P68-L72 WeakPolarHBondContact O-CG 3.42Å; P68-L72 PolarHBondContact O-N 3Å; L72-L182 HydrophobicContact CD1-CB 3.99Å; L72-I183 HydrophobicContact CD1-CG1 3.85Å
73	R	96.9	Very high	96.4	Very high	38 Å²	38	42.3 Å²	42.3	14%	0.143	23%	0.232	C	C	.	.	S	Bend	trans	-88.7	149.7	174.4	-68.1	-70.2	-163	-159.9	3.1	111	W69 F75 M127 E129 S131 L182	W69-R73 HydrophobicContact CE3-CG 4.47Å; W69-R73 VanDerWaalsContact O-CB 3.25Å; W69-R73 WeakPolarHBondContact O-CB 3.47Å; W69-R73 PolarHBondContact O-N 3.12Å; R73-F75 HydrophobicContact CB-CD2 4.33Å; R73-F75 HydrophobicContact CB-CE2 3.77Å; R73-F75 HydrophobicContact CB-CZ 4.46Å; R73-F75 VanDerWaalsContact O-CD2 3.3Å; R73-F75 WeakPolarHBondContact O-CD2 3.35Å; R73-M127 HydrophobicContact CB-CE 3.84Å; R73-M127 HydrophobicContact CB-CG 3.86Å; R73-M127 HydrophobicContact CB-SD 3.94Å; R73-M127 HydrophobicContact CG-CE 3.76Å; R73-M127 HydrophobicContact CG-CG 4.2Å; R73-M127 HydrophobicContact CG-SD 3.65Å; R73-E129 PolarHBondContact NE-O 3.28Å; R73-E129 VanDerWaalsContact NH1-CG 3.27Å; R73-S131 PolarHBondContact NH2-O 2.95Å; R73-S131 PolarHBondContact NH2-OG 3.43Å; R73-L182 HydrophobicContact CG-CD2 3.61Å
74	D	95.3	Very high	96.4	Very high	114 Å²	114	43.4 Å²	43.4	61%	0.61	24%	0.238	S	C	*	.			trans	-83	134.7	172	-165	17.5	0	0	0	110.4	H128	D74-H128 PolarHBondContact O-N 2.85Å; D74-H128 IonicContact OD2-CD2 2.74Å
75	F	96.9	Very high	96.4	Very high	13 Å²	13	51.3 Å²	51.3	6%	0.057	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-127.4	149	-178.7	-73.3	-100.6	0	0	0	109.7	L70 R73 A77 S123 F124 Y126 M127	L70-F75 HydrophobicContact CD2-CE1 4.29Å; L70-F75 HydrophobicContact CD2-CE2 4.25Å; L70-F75 HydrophobicContact CD2-CZ 3.67Å; R73-F75 HydrophobicContact CB-CD2 4.33Å; R73-F75 HydrophobicContact CB-CE2 3.77Å; R73-F75 HydrophobicContact CB-CZ 4.46Å; R73-F75 VanDerWaalsContact O-CD2 3.3Å; R73-F75 WeakPolarHBondContact O-CD2 3.35Å; F75-A77 PolarHBondContact O-N 3.35Å; F75-S123 WeakPolarHBondContact CE1-O 3.38Å; F75-F124 HydrophobicContact CE1-CD1 4.11Å; F75-F124 HydrophobicContact CZ-CD1 4.06Å; F75-F124 HydrophobicContact CZ-CE1 4.32Å; F75-Y126 WeakPolarHBondContact CA-O 3.43Å; F75-M127 HydrophobicContact CD1-CB 4.02Å; F75-M127 HydrophobicContact CE1-CB 3.71Å; F75-M127 HydrophobicContact CE1-CE 3.94Å; F75-M127 HydrophobicContact CE1-CG 4.29Å; F75-M127 HydrophobicContact CE2-CE 3.95Å; F75-M127 HydrophobicContact CE2-CG 4.5Å; F75-M127 HydrophobicContact CZ-CB 4.1Å; F75-M127 HydrophobicContact CZ-CE 3.26Å; F75-M127 HydrophobicContact CZ-CG 4.18Å
76	H	94.6	Very high	96.3	Very high	111 Å²	111	53.3 Å²	53.3	51%	0.514	28%	0.281	S	S	.	.	S	Bend	trans	-60.2	127.7	170.4	-177.1	-85.1	0	0	0	110.2	Y126 H128	H76-Y126 PolarHBondContact N-O 3.39Å; H76-H128 PolarHBondContact N-NE2 3.1Å
77	A	92.8	Very high	96.3	Very high	80 Å²	80	52.2 Å²	52.2	66%	0.661	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	-139.9	-179.4	0	0	0	0	0	113	F75	F75-A77 PolarHBondContact O-N 3.35Å
78	S	92.6	Very high	96.3	Very high	77 Å²	77	55.4 Å²	55.4	54%	0.538	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	16	-176.2	58.3	0	0	0	0	114.2	G80 L81 T82	S78-G80 PolarHBondContact O-N 3.45Å; S78-L81 PolarHBondContact O-N 3.09Å; S78-T82 WeakPolarHBondContact O-CB 3.49Å; S78-T82 PolarHBondContact O-N 3.16Å; S78-T82 PolarHBondContact O-OG1 3.4Å
79	W	93.9	Very high	96.3	Very high	104 Å²	104	59.4 Å²	59.4	39%	0.394	31%	0.309	S	S	.	.	H	α-helix	trans	-60.9	-40.1	-174.9	-75.7	120.5	0	0	0	113.1	A83 Y126	W79-A83 VanDerWaalsContact O-CB 3.28Å; W79-A83 WeakPolarHBondContact O-CB 3.44Å; W79-A83 PolarHBondContact O-N 2.91Å; W79-Y126 HydrophobicContact CB-CD2 4.32Å; W79-Y126 HydrophobicContact CB-CG 4.44Å; W79-Y126 AromaticContact CD1-CD1 3.85Å; W79-Y126 AromaticContact CD1-CD2 3.78Å; W79-Y126 AromaticContact CD1-CG 3.53Å; W79-Y126 AromaticContact CD2-CD2 3.9Å; W79-Y126 HydrophobicContact CD2-CD2 3.9Å; W79-Y126 HydrophobicContact CD2-CE2 4.02Å; W79-Y126 HydrophobicContact CD2-CG 4.43Å; W79-Y126 AromaticContact CE2-CE2 3.83Å; W79-Y126 HydrophobicContact CE3-CD2 4.5Å; W79-Y126 HydrophobicContact CE3-CE2 4.44Å; W79-Y126 AromaticContact CG-CD2 3.79Å; W79-Y126 HydrophobicContact CG-CD2 3.79Å; W79-Y126 HydrophobicContact CG-CE2 4.36Å; W79-Y126 AromaticContact CG-CG 3.94Å; W79-Y126 HydrophobicContact CG-CG 3.94Å; W79-Y126 HydrophobicContact CZ2-CE2 4.14Å; W79-Y126 AromaticContact NE1-CD1 3.85Å; W79-Y126 AromaticContact NE1-CD2 3.98Å; W79-Y126 AromaticContact NE1-CE1 3.91Å; W79-Y126 AromaticContact NE1-CG 3.89Å; W79-Y126 AromaticContact NE1-CZ 3.99Å
80	G	95.1	Very high	96.3	Very high	4 Å²	4	61 Å²	61	4%	0.041	32%	0.323	C	S	.	.	H	α-helix	trans	-61.4	-51.7	177.6	0	0	0	0	0	112.6	S78 T82 A83 L84	S78-G80 PolarHBondContact O-N 3.45Å; G80-T82 PolarHBondContact O-N 3.39Å; G80-A83 PolarHBondContact O-N 3.2Å; G80-L84 PolarHBondContact O-N 3.23Å
81	L	95.4	Very high	96.2	Very high	100 Å²	100	60.6 Å²	60.6	52%	0.524	32%	0.321	S	S	.	.	H	α-helix	trans	-66	-39.3	179.4	-175.1	61.7	0	0	0	112.3	S78 L84 W85	S78-L81 PolarHBondContact O-N 3.09Å; L81-L84 HydrophobicContact CD1-CD2 4.42Å; L81-L84 WeakPolarHBondContact O-CB 3.27Å; L81-L84 PolarHBondContact O-N 2.98Å; L81-W85 VanDerWaalsContact O-CD1 3.28Å; L81-W85 PolarHBondContact O-N 2.94Å
82	T	96.2	Very high	96.2	Very high	75 Å²	75	63 Å²	63	46%	0.46	33%	0.333	S	S	.	.	H	α-helix	trans	-63.2	-43.6	177.3	-55.5	0	0	0	0	110.9	S78 G80 L84 S86	S78-T82 WeakPolarHBondContact O-CB 3.49Å; S78-T82 PolarHBondContact O-N 3.16Å; S78-T82 PolarHBondContact O-OG1 3.4Å; G80-T82 PolarHBondContact O-N 3.39Å; T82-L84 VanDerWaalsContact C-N 3.32Å; T82-L84 PolarHBondContact O-N 3.47Å; T82-S86 WeakPolarHBondContact O-CB 3.48Å; T82-S86 PolarHBondContact O-N 3.39Å; T82-S86 PolarHBondContact O-OG 3.21Å
83	A	96.8	Very high	96.2	Very high	8 Å²	8	68 Å²	68	7%	0.066	35%	0.353	C	S	.	.	H	α-helix	trans	-65.8	-34.6	175.2	0	0	0	0	0	112.4	L70 W79 G80 S86 V87	L70-A83 HydrophobicContact CD1-CB 3.9Å; L70-A83 HydrophobicContact CD2-CB 3.89Å; W79-A83 VanDerWaalsContact O-CB 3.28Å; W79-A83 WeakPolarHBondContact O-CB 3.44Å; W79-A83 PolarHBondContact O-N 2.91Å; G80-A83 PolarHBondContact O-N 3.2Å; A83-S86 WeakPolarHBondContact CA-OG 3.47Å; A83-S86 PolarHBondContact O-N 2.97Å; A83-S86 PolarHBondContact O-OG 2.96Å; A83-V87 WeakPolarHBondContact O-CG1 3.35Å; A83-V87 PolarHBondContact O-N 2.91Å
84	L	97.7	Very high	96.1	Very high	23 Å²	23	66.3 Å²	66.3	12%	0.12	35%	0.347	C	S	.	.	H	α-helix	trans	-64.9	-49.3	178.3	-179	64.4	0	0	0	110.7	T67 L70 G80 L81 T82 V87 W88	T67-L84 HydrophobicContact CG2-CD1 4.35Å; L70-L84 HydrophobicContact CB-CB 4.04Å; L70-L84 HydrophobicContact CB-CD1 4.23Å; L70-L84 HydrophobicContact CD1-CB 4.15Å; L70-L84 HydrophobicContact CD1-CD1 4.44Å; G80-L84 PolarHBondContact O-N 3.23Å; L81-L84 HydrophobicContact CD1-CD2 4.42Å; L81-L84 WeakPolarHBondContact O-CB 3.27Å; L81-L84 PolarHBondContact O-N 2.98Å; T82-L84 VanDerWaalsContact C-N 3.32Å; T82-L84 PolarHBondContact O-N 3.47Å; L84-V87 WeakPolarHBondContact O-CG1 3.47Å; L84-W88 VanDerWaalsContact O-CD1 3.27Å; L84-W88 PolarHBondContact O-N 2.89Å
85	W	97.4	Very high	96.1	Very high	167 Å²	167	61.3 Å²	61.3	63%	0.633	32%	0.323	S	S	*	.	H	α-helix	trans	-64.9	-40.8	177	-76.9	109.8	0	0	0	112.2	L81 V87 W88 I89	L81-W85 VanDerWaalsContact O-CD1 3.28Å; L81-W85 PolarHBondContact O-N 2.94Å; W85-V87 PolarHBondContact O-N 3.39Å; W85-W88 PolarHBondContact O-N 2.99Å; W85-I89 WeakPolarHBondContact O-CB 3.2Å; W85-I89 WeakPolarHBondContact O-CD1 3.22Å; W85-I89 WeakPolarHBondContact O-CG1 3.36Å; W85-I89 PolarHBondContact O-N 3.43Å
86	S	96.9	Very high	96	Very high	58 Å²	58	63 Å²	63	41%	0.406	34%	0.339	S	S	.	.	H	α-helix	trans	-63.9	-42.8	-178.8	71.3	0	0	0	0	112.2	T82 A83 I89 A90	T82-S86 WeakPolarHBondContact O-CB 3.48Å; T82-S86 PolarHBondContact O-N 3.39Å; T82-S86 PolarHBondContact O-OG 3.21Å; A83-S86 WeakPolarHBondContact CA-OG 3.47Å; A83-S86 PolarHBondContact O-N 2.97Å; A83-S86 PolarHBondContact O-OG 2.96Å; S86-I89 PolarHBondContact O-N 2.93Å; S86-A90 VanDerWaalsContact O-CB 3.22Å; S86-A90 WeakPolarHBondContact O-CB 3.35Å; S86-A90 PolarHBondContact O-N 3.26Å
87	V	97.7	Very high	96	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.006	32%	0.324	C	S	.	.	H	α-helix	trans	-68.1	-38.8	179.6	74.2	0	0	0	0	112.2	A63 Y66 L70 A83 L84 W85 A90 A91 I116 P120	A63-V87 HydrophobicContact CB-CG1 4.21Å; A63-V87 HydrophobicContact CB-CG2 4.14Å; Y66-V87 HydrophobicContact CD2-CG2 4.07Å; L70-V87 HydrophobicContact CD1-CG1 4.34Å; A83-V87 WeakPolarHBondContact O-CG1 3.35Å; A83-V87 PolarHBondContact O-N 2.91Å; L84-V87 WeakPolarHBondContact O-CG1 3.47Å; W85-V87 PolarHBondContact O-N 3.39Å; V87-A90 PolarHBondContact O-N 2.96Å; V87-A91 WeakPolarHBondContact O-CB 3.29Å; V87-A91 PolarHBondContact O-N 3.42Å; V87-I116 HydrophobicContact CG2-CG2 3.96Å; V87-P120 HydrophobicContact CB-CB 4.38Å; V87-P120 HydrophobicContact CB-CG 3.86Å; V87-P120 HydrophobicContact CG2-CG 3.74Å
88	W	98.4	Very high	95.9	Very high	73 Å²	73	56 Å²	56	28%	0.277	29%	0.292	S	S	.	.	H	α-helix	trans	-67.8	-43.2	176.7	-85.6	101.6	0	0	0	112.3	V19 L60 A63 A64 T67 L84 W85 A90 A91 I92	V19-W88 HydrophobicContact CG1-CH2 4.2Å; V19-W88 HydrophobicContact CG1-CZ2 3.66Å; L60-W88 HydrophobicContact CD2-CZ3 4.19Å; A63-W88 HydrophobicContact CB-CD2 3.71Å; A63-W88 HydrophobicContact CB-CE3 3.99Å; A63-W88 HydrophobicContact CB-CG 4.03Å; A63-W88 HydrophobicContact CB-CZ2 4.29Å; A63-W88 HydrophobicContact CB-CZ3 4.4Å; A64-W88 HydrophobicContact CB-CH2 4.41Å; A64-W88 HydrophobicContact CB-CZ2 4.27Å; T67-W88 PolarHBondContact OG1-NE1 3.35Å; T67-W88 VanDerWaalsContact OG1-NE1 3.1Å; L84-W88 VanDerWaalsContact O-CD1 3.27Å; L84-W88 PolarHBondContact O-N 2.89Å; W85-W88 PolarHBondContact O-N 2.99Å; W88-A90 VanDerWaalsContact C-N 3.34Å; W88-A90 PolarHBondContact O-N 3.35Å; W88-A91 PolarHBondContact O-N 3.21Å; W88-I92 WeakPolarHBondContact O-CG1 3.35Å; W88-I92 PolarHBondContact O-N 3.18Å
89	I	97.9	Very high	95.8	Very high	84 Å²	84	59.9 Å²	59.9	43%	0.431	30%	0.297	S	S	.	.	H	α-helix	trans	-60.6	-46.6	174.5	-70.9	168.3	0	0	0	110.1	W85 S86 A91 I92 F93	W85-I89 WeakPolarHBondContact O-CB 3.2Å; W85-I89 WeakPolarHBondContact O-CD1 3.22Å; W85-I89 WeakPolarHBondContact O-CG1 3.36Å; W85-I89 PolarHBondContact O-N 3.43Å; S86-I89 PolarHBondContact O-N 2.93Å; I89-A91 VanDerWaalsContact C-N 3.33Å; I89-A91 PolarHBondContact O-N 2.99Å; I89-I92 PolarHBondContact O-N 3.49Å; I89-F93 HydrophobicContact CG2-CD2 3.62Å; I89-F93 HydrophobicContact CG2-CE2 3.42Å; I89-F93 VanDerWaalsContact CG2-CE2 3.42Å; I89-F93 WeakPolarHBondContact O-CD2 3.36Å; I89-F93 PolarHBondContact O-N 2.95Å
90	A	97.3	Very high	95.6	Very high	36 Å²	36	59.4 Å²	59.4	30%	0.298	31%	0.305	S	S	.	.	H	α-helix	trans	-63.8	-37.5	179	0	0	0	0	0	112.1	S86 V87 W88 F93 G94 I116	S86-A90 VanDerWaalsContact O-CB 3.22Å; S86-A90 WeakPolarHBondContact O-CB 3.35Å; S86-A90 PolarHBondContact O-N 3.26Å; V87-A90 PolarHBondContact O-N 2.96Å; W88-A90 VanDerWaalsContact C-N 3.34Å; W88-A90 PolarHBondContact O-N 3.35Å; A90-F93 PolarHBondContact O-N 2.9Å; A90-G94 PolarHBondContact O-N 3.43Å; A90-I116 HydrophobicContact CB-CD1 4.47Å; A90-I116 HydrophobicContact CB-CG1 3.97Å; A90-I116 HydrophobicContact CB-CG2 4.2Å; A90-I116 VanDerWaalsContact O-CD1 3.29Å; A90-I116 WeakPolarHBondContact O-CD1 3.29Å
91	A	97.2	Very high	95.2	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.008	32%	0.323	C	S	.	.	H	α-helix	trans	-64.4	-39.3	173.7	0	0	0	0	0	112.9	C59 A63 V87 W88 I89 G94 G95	C59-A91 HydrophobicContact CB-CB 4.36Å; C59-A91 WeakPolarHBondContact CB-O 3.49Å; C59-A91 VanDerWaalsContact O-CB 3.27Å; C59-A91 WeakPolarHBondContact O-CB 3.24Å; A63-A91 HydrophobicContact CB-CB 3.67Å; V87-A91 WeakPolarHBondContact O-CB 3.29Å; V87-A91 PolarHBondContact O-N 3.42Å; W88-A91 PolarHBondContact O-N 3.21Å; I89-A91 VanDerWaalsContact C-N 3.33Å; I89-A91 PolarHBondContact O-N 2.99Å; A91-G94 PolarHBondContact O-N 2.87Å; A91-G95 PolarHBondContact O-N 2.91Å
92	I	97.1	Very high	94.4	Very high	111 Å²	111	62.8 Å²	62.8	57%	0.569	32%	0.315	S	S	*	.	H	α-helix	trans	-63.9	-46.4	175	-68.4	166.7	0	0	0	110.4	W88 I89 G94 G95 A96	W88-I92 WeakPolarHBondContact O-CG1 3.35Å; W88-I92 PolarHBondContact O-N 3.18Å; I89-I92 PolarHBondContact O-N 3.49Å; I92-G94 VanDerWaalsContact C-N 3.34Å; I92-G94 PolarHBondContact O-N 3.44Å; I92-G95 PolarHBondContact O-N 3.22Å; I92-A96 WeakPolarHBondContact O-CB 3.28Å; I92-A96 PolarHBondContact O-N 3.41Å
93	F	96.6	Very high	93.4	Very high	149 Å²	149	62.4 Å²	62.4	65%	0.654	31%	0.31	S	S	*	.	H	α-helix	trans	-64.1	-39.6	176	-77.3	-63.5	0	0	0	112.4	I89 A90 A96 F97	I89-F93 HydrophobicContact CG2-CD2 3.62Å; I89-F93 HydrophobicContact CG2-CE2 3.42Å; I89-F93 VanDerWaalsContact CG2-CE2 3.42Å; I89-F93 WeakPolarHBondContact O-CD2 3.36Å; I89-F93 PolarHBondContact O-N 2.95Å; A90-F93 PolarHBondContact O-N 2.9Å; F93-A96 PolarHBondContact O-N 3.48Å; F93-F97 PolarHBondContact O-N 2.87Å
94	G	95.1	Very high	92.7	Very high	3 Å²	3	71.2 Å²	71.2	3%	0.031	34%	0.342	C	S	.	.	H	α-helix	trans	-59.5	-47.4	173.4	0	0	0	0	0	111.7	C59 A90 A91 I92 A96 F97 Q98	C59-G94 VanDerWaalsContact SG-C 3.52Å; A90-G94 PolarHBondContact O-N 3.43Å; A91-G94 PolarHBondContact O-N 2.87Å; I92-G94 VanDerWaalsContact C-N 3.34Å; I92-G94 PolarHBondContact O-N 3.44Å; G94-A96 PolarHBondContact O-N 3.27Å; G94-F97 WeakPolarHBondContact O-CB 3.45Å; G94-F97 PolarHBondContact O-N 2.84Å; G94-Q98 WeakPolarHBondContact O-CG 3.38Å; G94-Q98 PolarHBondContact O-N 2.94Å; G94-Q98 VanDerWaalsContact O-N 3.08Å
95	G	94.9	Very high	92.2	Very high	9 Å²	9	74.1 Å²	74.1	9%	0.093	35%	0.354	C	S	.	.	H	α-helix	trans	-62.8	-40.8	175.7	0	0	0	0	0	113	A91 I92 F97 Q98 Y99	A91-G95 PolarHBondContact O-N 2.91Å; I92-G95 PolarHBondContact O-N 3.22Å; G95-F97 VanDerWaalsContact C-N 3.32Å; G95-F97 PolarHBondContact O-N 3.44Å; G95-Q98 WeakPolarHBondContact O-CB 3.41Å; G95-Q98 PolarHBondContact O-N 3.26Å; G95-Y99 PolarHBondContact O-N 3.02Å
96	A	94.7	Very high	91.6	Very high	49 Å²	49	71.4 Å²	71.4	41%	0.405	35%	0.348	S	S	.	.	H	α-helix	trans	-62.5	-38.6	174.2	0	0	0	0	0	112	I92 F93 G94 Y99 V100	I92-A96 WeakPolarHBondContact O-CB 3.28Å; I92-A96 PolarHBondContact O-N 3.41Å; F93-A96 PolarHBondContact O-N 3.48Å; G94-A96 PolarHBondContact O-N 3.27Å; A96-Y99 WeakPolarHBondContact O-CB 3.44Å; A96-Y99 PolarHBondContact O-N 3.44Å; A96-V100 WeakPolarHBondContact O-CG2 3.39Å; A96-V100 PolarHBondContact O-N 2.99Å
97	F	93.9	Very high	91.2	Very high	42 Å²	42	72.1 Å²	72.1	18%	0.184	35%	0.353	C	S	.	.	H	α-helix	trans	-60.4	-44.9	173.2	178.7	-85.7	0	0	0	111.5	F93 G94 G95 Y99 V100 Y101 F105 V108 I112	F93-F97 PolarHBondContact O-N 2.87Å; G94-F97 WeakPolarHBondContact O-CB 3.45Å; G94-F97 PolarHBondContact O-N 2.84Å; G95-F97 VanDerWaalsContact C-N 3.32Å; G95-F97 PolarHBondContact O-N 3.44Å; F97-Y99 VanDerWaalsContact C-N 3.28Å; F97-Y99 PolarHBondContact O-N 3.14Å; F97-V100 PolarHBondContact O-N 3.3Å; F97-Y101 HydrophobicContact CD1-CD2 4.36Å; F97-Y101 AromaticContact CD2-CD2 3.31Å; F97-Y101 HydrophobicContact CD2-CD2 3.31Å; F97-Y101 AromaticContact CD2-CE2 3.59Å; F97-Y101 HydrophobicContact CD2-CE2 3.59Å; F97-Y101 HydrophobicContact CD2-CG 4.35Å; F97-Y101 HydrophobicContact CE1-CD2 4.34Å; F97-Y101 AromaticContact CE2-CD2 3.28Å; F97-Y101 HydrophobicContact CE2-CD2 3.28Å; F97-Y101 AromaticContact CE2-CE2 3.61Å; F97-Y101 HydrophobicContact CE2-CE2 3.61Å; F97-Y101 AromaticContact CE2-CG 3.96Å; F97-Y101 HydrophobicContact CE2-CG 3.96Å; F97-Y101 AromaticContact CG-CD2 3.88Å; F97-Y101 HydrophobicContact CG-CD2 3.88Å; F97-Y101 HydrophobicContact CG-CE2 4.49Å; F97-Y101 AromaticContact CZ-CD2 3.82Å; F97-Y101 HydrophobicContact CZ-CD2 3.82Å; F97-Y101 HydrophobicContact CZ-CG 4.1Å; F97-Y101 PolarHBondContact O-N 3.15Å; F97-F105 HydrophobicContact CZ-CB 4.29Å; F97-V108 HydrophobicContact CE1-CG1 4.29Å; F97-V108 HydrophobicContact CE2-CG1 4.21Å; F97-V108 HydrophobicContact CZ-CB 4.14Å; F97-V108 HydrophobicContact CZ-CG1 3.67Å; F97-I112 HydrophobicContact CB-CD1 4.22Å; F97-I112 HydrophobicContact CD1-CD1 3.47Å; F97-I112 VanDerWaalsContact CD1-CD1 3.47Å; F97-I112 HydrophobicContact CD2-CD1 3.92Å; F97-I112 HydrophobicContact CE1-CD1 3.72Å; F97-I112 HydrophobicContact CE2-CD1 4.14Å; F97-I112 HydrophobicContact CG-CD1 3.58Å; F97-I112 HydrophobicContact CZ-CD1 4.05Å
98	Q	91	Very high	90.9	Very high	1 Å²	1	75 Å²	75	1%	0.005	37%	0.37	C	S	.	.	H	α-helix	trans	-59.6	-40.4	176.8	-58	-51.3	-28.7	0	0	111.9	L52 R55 I56 G94 G95 L102 E109 Y113	L52-Q98 VanDerWaalsContact CD1-C 3.5Å; L52-Q98 HydrophobicContact CD1-CB 3.97Å; L52-Q98 WeakPolarHBondContact CD1-O 3.36Å; R55-Q98 HydrophobicContact CB-CB 4.16Å; R55-Q98 HydrophobicContact CB-CG 3.97Å; I56-Q98 HydrophobicContact CG1-CB 4.23Å; G94-Q98 WeakPolarHBondContact O-CG 3.38Å; G94-Q98 PolarHBondContact O-N 2.94Å; G94-Q98 VanDerWaalsContact O-N 3.08Å; G95-Q98 WeakPolarHBondContact O-CB 3.41Å; G95-Q98 PolarHBondContact O-N 3.26Å; Q98-L102 WeakPolarHBondContact O-CA 3.49Å; Q98-L102 PolarHBondContact O-N 3.1Å; Q98-E109 VanDerWaalsContact NE2-CG 3.35Å; Q98-Y113 VanDerWaalsContact CD-OH 3.3Å; Q98-Y113 PolarHBondContact NE2-OH 2.72Å
99	Y	90.4	Very high	90.6	Very high	159 Å²	159	72.1 Å²	72.1	62%	0.624	36%	0.36	S	S	*	.	H	α-helix	trans	-63.2	-44.1	177.3	-178.5	-89.8	0	0	0	112.6	L52 G95 A96 F97	L52-Y99 HydrophobicContact CD2-CD2 3.72Å; L52-Y99 HydrophobicContact CD2-CE2 4.31Å; G95-Y99 PolarHBondContact O-N 3.02Å; A96-Y99 WeakPolarHBondContact O-CB 3.44Å; A96-Y99 PolarHBondContact O-N 3.44Å; F97-Y99 VanDerWaalsContact C-N 3.28Å; F97-Y99 PolarHBondContact O-N 3.14Å
100	V	90.3	Very high	90.4	Very high	95 Å²	95	69.1 Å²	69.1	58%	0.576	35%	0.345	S	S	*	.	H	α-helix	trans	-77.5	-42.4	-175.1	174	0	0	0	0	112.5	A96 F97	A96-V100 WeakPolarHBondContact O-CG2 3.39Å; A96-V100 PolarHBondContact O-N 2.99Å; F97-V100 PolarHBondContact O-N 3.3Å
101	Y	87.3	Confident	90.3	Very high	106 Å²	106	73.7 Å²	73.7	42%	0.416	36%	0.362	S	S	.	.	H	α-helix	trans	-101.1	-7.9	-170.6	-65.7	-76.1	0	0	0	114.4	F97 D103 R104 F105	F97-Y101 HydrophobicContact CD1-CD2 4.36Å; F97-Y101 AromaticContact CD2-CD2 3.31Å; F97-Y101 HydrophobicContact CD2-CD2 3.31Å; F97-Y101 AromaticContact CD2-CE2 3.59Å; F97-Y101 HydrophobicContact CD2-CE2 3.59Å; F97-Y101 HydrophobicContact CD2-CG 4.35Å; F97-Y101 HydrophobicContact CE1-CD2 4.34Å; F97-Y101 AromaticContact CE2-CD2 3.28Å; F97-Y101 HydrophobicContact CE2-CD2 3.28Å; F97-Y101 AromaticContact CE2-CE2 3.61Å; F97-Y101 HydrophobicContact CE2-CE2 3.61Å; F97-Y101 AromaticContact CE2-CG 3.96Å; F97-Y101 HydrophobicContact CE2-CG 3.96Å; F97-Y101 AromaticContact CG-CD2 3.88Å; F97-Y101 HydrophobicContact CG-CD2 3.88Å; F97-Y101 HydrophobicContact CG-CE2 4.49Å; F97-Y101 AromaticContact CZ-CD2 3.82Å; F97-Y101 HydrophobicContact CZ-CD2 3.82Å; F97-Y101 HydrophobicContact CZ-CG 4.1Å; F97-Y101 PolarHBondContact O-N 3.15Å; Y101-D103 PolarHBondContact O-N 3.41Å; Y101-D103 VanDerWaalsContact O-N 3.14Å; Y101-R104 VanDerWaalsContact O-CB 3.25Å; Y101-R104 WeakPolarHBondContact O-CB 3.48Å; Y101-R104 PolarHBondContact O-N 3.37Å; Y101-F105 AromaticContact CD1-CD2 3.75Å; Y101-F105 HydrophobicContact CD1-CD2 3.75Å; Y101-F105 AromaticContact CD1-CE2 3.63Å; Y101-F105 HydrophobicContact CD1-CE2 3.63Å; Y101-F105 HydrophobicContact CE1-CD2 4.48Å; Y101-F105 HydrophobicContact CE1-CE2 4.05Å; Y101-F105 HydrophobicContact CG-CD2 4.1Å; Y101-F105 HydrophobicContact CG-CE2 4.42Å
102	L	78.6	Confident	90.1	Very high	68 Å²	68	75.3 Å²	75.3	36%	0.356	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	41.1	-117.7	177.8	-67.9	170.7	0	0	0	111.5	L52 R55 Q98	L52-L102 HydrophobicContact CB-CD2 4.38Å; L52-L102 HydrophobicContact CD1-CD2 4.24Å; L52-L102 HydrophobicContact CD2-CD2 4.12Å; L52-L102 HydrophobicContact CG-CD2 4.49Å; R55-L102 VanDerWaalsContact NH1-C 3.25Å; R55-L102 PolarHBondContact NH1-O 3.05Å; Q98-L102 WeakPolarHBondContact O-CA 3.49Å; Q98-L102 PolarHBondContact O-N 3.1Å
103	D	75	Confident	90.1	Very high	68 Å²	68	71.2 Å²	71.2	36%	0.364	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	0.6	-176	-77	-45.6	0	0	0	115.1	Q51 R55 Y101 F105	Q51-D103 PolarHBondContact NE2-OD1 3.31Å; Q51-D103 PolarHBondContact NE2-OD2 2.89Å; R55-D103 IonicContact CZ-OD1 3.42Å; R55-D103 IonicContact NH1-OD1 3.12Å; R55-D103 PolarHBondContact NH1-OD1 3.37Å; R55-D103 IonicContact NH2-OD1 3.77Å; R55-D103 PolarHBondContact NH2-OD1 3.44Å; Y101-D103 PolarHBondContact O-N 3.41Å; Y101-D103 VanDerWaalsContact O-N 3.14Å; D103-F105 PolarHBondContact O-N 3.37Å
104	R	81.6	Confident	90.1	Very high	193 Å²	193	66.4 Å²	66.4	73%	0.728	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-32	-167.8	-166.6	173.9	-179.1	174.2	0.6	113.3	Y101	Y101-R104 VanDerWaalsContact O-CB 3.25Å; Y101-R104 WeakPolarHBondContact O-CB 3.48Å; Y101-R104 PolarHBondContact O-N 3.37Å
105	F	86.3	Confident	90.1	Very high	83 Å²	83	68.6 Å²	68.6	36%	0.364	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.7	57.9	-169.6	-59.1	-62.3	0	0	0	113.6	F97 Y101 D103 S107 V108 E109	F97-F105 HydrophobicContact CZ-CB 4.29Å; Y101-F105 AromaticContact CD1-CD2 3.75Å; Y101-F105 HydrophobicContact CD1-CD2 3.75Å; Y101-F105 AromaticContact CD1-CE2 3.63Å; Y101-F105 HydrophobicContact CD1-CE2 3.63Å; Y101-F105 HydrophobicContact CE1-CD2 4.48Å; Y101-F105 HydrophobicContact CE1-CE2 4.05Å; Y101-F105 HydrophobicContact CG-CD2 4.1Å; Y101-F105 HydrophobicContact CG-CE2 4.42Å; D103-F105 PolarHBondContact O-N 3.37Å; F105-S107 VanDerWaalsContact C-N 3.27Å; F105-S107 PolarHBondContact O-N 2.84Å; F105-V108 HydrophobicContact CB-CB 3.97Å; F105-V108 HydrophobicContact CB-CG2 4Å; F105-V108 PolarHBondContact O-N 3.32Å; F105-E109 PolarHBondContact O-N 3.49Å
106	Q	86.5	Confident	90.1	Very high	111 Å²	111	68.8 Å²	68.8	52%	0.519	35%	0.345	S	S	.	.	H	α-helix	trans	-55.2	-35.1	-177.6	-63.6	179.5	-11.4	0	0	114.4	E109 L110	Q106-E109 WeakPolarHBondContact O-CB 3.21Å; Q106-L110 PolarHBondContact O-N 2.9Å
107	S	88.4	Confident	90.1	Very high	72 Å²	72	68.1 Å²	68.1	50%	0.503	34%	0.337	S	S	.	.	H	α-helix	trans	-70.5	-35.4	176.3	-68.9	0	0	0	0	112.8	F105 L110 M111 K151	F105-S107 VanDerWaalsContact C-N 3.27Å; F105-S107 PolarHBondContact O-N 2.84Å; S107-L110 PolarHBondContact O-N 3.1Å; S107-M111 WeakPolarHBondContact O-CG 3.39Å; S107-M111 PolarHBondContact O-N 2.99Å; S107-M111 VanDerWaalsContact O-N 3.15Å; S107-K151 PolarHBondContact OG-NZ 3.18Å; S107-K151 VanDerWaalsContact OG-NZ 3.15Å
108	V	91.3	Very high	90.2	Very high	62 Å²	62	70.7 Å²	70.7	38%	0.376	35%	0.352	S	S	.	.	H	α-helix	trans	-70.2	-39.7	175.9	-179.6	0	0	0	0	110.1	F97 F105 L110 M111 I112	F97-V108 HydrophobicContact CE1-CG1 4.29Å; F97-V108 HydrophobicContact CE2-CG1 4.21Å; F97-V108 HydrophobicContact CZ-CB 4.14Å; F97-V108 HydrophobicContact CZ-CG1 3.67Å; F105-V108 HydrophobicContact CB-CB 3.97Å; F105-V108 HydrophobicContact CB-CG2 4Å; F105-V108 PolarHBondContact O-N 3.32Å; V108-L110 PolarHBondContact O-N 3.17Å; V108-M111 WeakPolarHBondContact O-CB 3.05Å; V108-M111 PolarHBondContact O-N 3.48Å; V108-M111 VanDerWaalsContact O-N 3.14Å; V108-I112 HydrophobicContact CG1-CD1 4.02Å; V108-I112 HydrophobicContact CG1-CG1 4.4Å; V108-I112 WeakPolarHBondContact O-CG1 3.18Å; V108-I112 PolarHBondContact O-N 3.44Å
109	E	91.2	Very high	90.3	Very high	13 Å²	13	74.9 Å²	74.9	6%	0.061	38%	0.38	C	S	.	.	H	α-helix	trans	-52.6	-51.5	172.4	158.8	176.6	-162.8	0	0	111.6	R55 Q98 F105 Q106 M111 I112 Y113	R55-E109 WeakPolarHBondContact CD-OE1 3.5Å; R55-E109 VanDerWaalsContact CG-OE1 3.27Å; R55-E109 WeakPolarHBondContact CG-OE1 3.41Å; R55-E109 IonicContact CZ-OE2 3.03Å; R55-E109 IonicContact NE-OE1 2.82Å; R55-E109 PolarHBondContact NE-OE1 3.03Å; R55-E109 IonicContact NE-OE2 3.94Å; R55-E109 PolarHBondContact NE-OE2 2.97Å; R55-E109 VanDerWaalsContact NE-OE2 3.12Å; R55-E109 IonicContact NH2-OE2 3.92Å; Q98-E109 VanDerWaalsContact NE2-CG 3.35Å; F105-E109 PolarHBondContact O-N 3.49Å; Q106-E109 WeakPolarHBondContact O-CB 3.21Å; E109-M111 VanDerWaalsContact C-N 3.31Å; E109-M111 PolarHBondContact O-N 3.5Å; E109-I112 WeakPolarHBondContact O-CB 3.5Å; E109-I112 PolarHBondContact O-N 3.47Å; E109-I112 VanDerWaalsContact O-N 3.16Å; E109-Y113 HydrophobicContact CG-CD2 4.08Å; E109-Y113 HydrophobicContact CG-CE1 4.28Å; E109-Y113 HydrophobicContact CG-CE2 3.33Å; E109-Y113 VanDerWaalsContact CG-CZ 3.46Å; E109-Y113 WeakPolarHBondContact CG-OH 3.45Å; E109-Y113 PolarHBondContact O-N 3.3Å; E109-Y113 WeakPolarHBondContact OE1-CE2 3.21Å; E109-Y113 VanDerWaalsContact OE1-CZ 3.3Å; E109-Y113 PolarHBondContact OE1-OH 3.27Å
110	L	93.9	Very high	90.4	Very high	21 Å²	21	67.8 Å²	67.8	11%	0.11	35%	0.354	C	S	.	.	H	α-helix	trans	-60.7	-41.6	177.5	177.4	64.8	0	0	0	111.8	Q106 S107 V108 I112 Y113 L114 V147 K151	Q106-L110 PolarHBondContact O-N 2.9Å; S107-L110 PolarHBondContact O-N 3.1Å; V108-L110 PolarHBondContact O-N 3.17Å; L110-I112 VanDerWaalsContact C-N 3.31Å; L110-I112 PolarHBondContact O-N 3.44Å; L110-Y113 PolarHBondContact O-N 3.32Å; L110-L114 HydrophobicContact CD1-CD1 4.38Å; L110-L114 HydrophobicContact CD1-CG 4.31Å; L110-L114 HydrophobicContact CG-CD1 4.14Å; L110-L114 HydrophobicContact CG-CG 4.47Å; L110-L114 WeakPolarHBondContact O-CG 3.3Å; L110-L114 PolarHBondContact O-N 3.33Å; L110-V147 HydrophobicContact CD1-CG1 4.06Å; L110-V147 HydrophobicContact CD1-CG2 4.03Å; L110-V147 HydrophobicContact CD2-CG1 3.65Å; L110-V147 HydrophobicContact CG-CG1 4.41Å; L110-K151 HydrophobicContact CD2-CD 4.38Å; L110-K151 VanDerWaalsContact CD2-CE 3.42Å; L110-K151 HydrophobicContact CD2-CG 4.34Å
111	M	94.9	Very high	90.6	Very high	132 Å²	132	65.1 Å²	65.1	65%	0.65	34%	0.341	S	S	*	.	H	α-helix	trans	-63.1	-37.4	176.9	-70.4	-178.8	74.7	0	0	112.1	S107 V108 E109 L114 A115	S107-M111 WeakPolarHBondContact O-CG 3.39Å; S107-M111 PolarHBondContact O-N 2.99Å; S107-M111 VanDerWaalsContact O-N 3.15Å; V108-M111 WeakPolarHBondContact O-CB 3.05Å; V108-M111 PolarHBondContact O-N 3.48Å; V108-M111 VanDerWaalsContact O-N 3.14Å; E109-M111 VanDerWaalsContact C-N 3.31Å; E109-M111 PolarHBondContact O-N 3.5Å; M111-L114 PolarHBondContact O-N 3.43Å; M111-A115 VanDerWaalsContact O-CB 3.29Å; M111-A115 WeakPolarHBondContact O-CB 3.31Å; M111-A115 PolarHBondContact O-N 3.34Å
112	I	94.4	Very high	90.9	Very high	35 Å²	35	66.9 Å²	66.9	18%	0.179	35%	0.348	C	S	.	.	H	α-helix	trans	-62.8	-47.8	174.2	-70.8	167.4	0	0	0	110	F97 V108 E109 L110 L114 A115 I116	F97-I112 HydrophobicContact CB-CD1 4.22Å; F97-I112 HydrophobicContact CD1-CD1 3.47Å; F97-I112 VanDerWaalsContact CD1-CD1 3.47Å; F97-I112 HydrophobicContact CD2-CD1 3.92Å; F97-I112 HydrophobicContact CE1-CD1 3.72Å; F97-I112 HydrophobicContact CE2-CD1 4.14Å; F97-I112 HydrophobicContact CG-CD1 3.58Å; F97-I112 HydrophobicContact CZ-CD1 4.05Å; V108-I112 HydrophobicContact CG1-CD1 4.02Å; V108-I112 HydrophobicContact CG1-CG1 4.4Å; V108-I112 WeakPolarHBondContact O-CG1 3.18Å; V108-I112 PolarHBondContact O-N 3.44Å; E109-I112 WeakPolarHBondContact O-CB 3.5Å; E109-I112 PolarHBondContact O-N 3.47Å; E109-I112 VanDerWaalsContact O-N 3.16Å; L110-I112 VanDerWaalsContact C-N 3.31Å; L110-I112 PolarHBondContact O-N 3.44Å; I112-L114 VanDerWaalsContact C-N 3.33Å; I112-L114 PolarHBondContact O-N 3.49Å; I112-A115 PolarHBondContact O-N 2.95Å; I112-I116 HydrophobicContact CG2-CD1 3.48Å; I112-I116 VanDerWaalsContact CG2-CD1 3.48Å; I112-I116 HydrophobicContact CG2-CG1 4.22Å; I112-I116 VanDerWaalsContact O-CG1 3.24Å; I112-I116 WeakPolarHBondContact O-CG1 3.38Å; I112-I116 PolarHBondContact O-N 3.34Å
113	Y	95.6	Very high	91.7	Very high	24 Å²	24	63.9 Å²	63.9	9%	0.094	33%	0.333	C	S	.	.	H	α-helix	trans	-59.4	-43.9	177.3	-60.3	-25.5	0	0	0	112.1	R55 I58 C59 Q98 E109 L110 S117	R55-Y113 PolarHBondContact O-OH 3.31Å; I58-Y113 HydrophobicContact CB-CE1 4.48Å; I58-Y113 HydrophobicContact CD1-CE2 4.37Å; I58-Y113 HydrophobicContact CG2-CD1 4.14Å; I58-Y113 HydrophobicContact CG2-CD2 4.11Å; I58-Y113 HydrophobicContact CG2-CE1 4.14Å; I58-Y113 HydrophobicContact CG2-CE2 4.12Å; I58-Y113 HydrophobicContact CG2-CG 4.13Å; C59-Y113 WeakPolarHBondContact SG-CE1 3.36Å; Q98-Y113 VanDerWaalsContact CD-OH 3.3Å; Q98-Y113 PolarHBondContact NE2-OH 2.72Å; E109-Y113 HydrophobicContact CG-CD2 4.08Å; E109-Y113 HydrophobicContact CG-CE1 4.28Å; E109-Y113 HydrophobicContact CG-CE2 3.33Å; E109-Y113 VanDerWaalsContact CG-CZ 3.46Å; E109-Y113 WeakPolarHBondContact CG-OH 3.45Å; E109-Y113 PolarHBondContact O-N 3.3Å; E109-Y113 WeakPolarHBondContact OE1-CE2 3.21Å; E109-Y113 VanDerWaalsContact OE1-CZ 3.3Å; E109-Y113 PolarHBondContact OE1-OH 3.27Å; L110-Y113 PolarHBondContact O-N 3.32Å; Y113-S117 VanDerWaalsContact O-CB 3.28Å; Y113-S117 WeakPolarHBondContact O-CB 3.34Å; Y113-S117 PolarHBondContact O-N 2.92Å; Y113-S117 PolarHBondContact O-OG 3.39Å
114	L	96.5	Very high	92.7	Very high	49 Å²	49	61.6 Å²	61.6	26%	0.257	32%	0.32	S	S	.	.	H	α-helix	trans	-64.8	-41.4	176.1	-69.1	176.2	0	0	0	111.9	L110 M111 I112 S117 I118 L144	L110-L114 HydrophobicContact CD1-CD1 4.38Å; L110-L114 HydrophobicContact CD1-CG 4.31Å; L110-L114 HydrophobicContact CG-CD1 4.14Å; L110-L114 HydrophobicContact CG-CG 4.47Å; L110-L114 WeakPolarHBondContact O-CG 3.3Å; L110-L114 PolarHBondContact O-N 3.33Å; M111-L114 PolarHBondContact O-N 3.43Å; I112-L114 VanDerWaalsContact C-N 3.33Å; I112-L114 PolarHBondContact O-N 3.49Å; L114-S117 WeakPolarHBondContact CA-OG 3.25Å; L114-S117 PolarHBondContact O-N 3.14Å; L114-S117 PolarHBondContact O-OG 2.93Å; L114-S117 VanDerWaalsContact O-OG 3.08Å; L114-I118 HydrophobicContact CB-CD1 4.3Å; L114-I118 HydrophobicContact CD2-CD1 4.47Å; L114-I118 VanDerWaalsContact O-CB 3.27Å; L114-I118 WeakPolarHBondContact O-CB 3.41Å; L114-I118 VanDerWaalsContact O-CG1 3.24Å; L114-I118 WeakPolarHBondContact O-CG1 3.11Å; L114-I118 PolarHBondContact O-N 3.1Å; L114-L144 HydrophobicContact CD2-CD2 3.77Å
115	A	95.6	Very high	93.3	Very high	49 Å²	49	56.9 Å²	56.9	41%	0.405	31%	0.308	S	S	.	.	H	α-helix	trans	-65.6	-49	178.7	0	0	0	0	0	111.9	M111 I112 S117 I118 C119	M111-A115 VanDerWaalsContact O-CB 3.29Å; M111-A115 WeakPolarHBondContact O-CB 3.31Å; M111-A115 PolarHBondContact O-N 3.34Å; I112-A115 PolarHBondContact O-N 2.95Å; A115-S117 PolarHBondContact O-N 3.48Å; A115-I118 PolarHBondContact O-N 2.96Å; A115-C119 VanDerWaalsContact O-CB 3.29Å; A115-C119 WeakPolarHBondContact O-CB 3.48Å; A115-C119 PolarHBondContact O-N 3.39Å; A115-C119 PolarHBondContact O-SG 3.17Å
116	I	95.2	Very high	93.8	Very high	13 Å²	13	56.3 Å²	56.3	7%	0.067	30%	0.304	C	S	.	.	H	α-helix	trans	-63.1	-31.2	178.7	-59.7	168.5	0	0	0	110.8	I62 V87 A90 I112 P120	I62-I116 HydrophobicContact CG2-CB 4.44Å; I62-I116 HydrophobicContact CG2-CG2 3.83Å; V87-I116 HydrophobicContact CG2-CG2 3.96Å; A90-I116 HydrophobicContact CB-CD1 4.47Å; A90-I116 HydrophobicContact CB-CG1 3.97Å; A90-I116 HydrophobicContact CB-CG2 4.2Å; A90-I116 VanDerWaalsContact O-CD1 3.29Å; A90-I116 WeakPolarHBondContact O-CD1 3.29Å; I112-I116 HydrophobicContact CG2-CD1 3.48Å; I112-I116 VanDerWaalsContact CG2-CD1 3.48Å; I112-I116 HydrophobicContact CG2-CG1 4.22Å; I112-I116 VanDerWaalsContact O-CG1 3.24Å; I112-I116 WeakPolarHBondContact O-CG1 3.38Å; I112-I116 PolarHBondContact O-N 3.34Å; I116-P120 WeakPolarHBondContact O-CD 3.39Å; I116-P120 WeakPolarHBondContact O-CG 3.3Å
117	S	95.4	Very high	94.3	Very high	34 Å²	34	51.3 Å²	51.3	24%	0.238	28%	0.281	C	S	.	.	H	α-helix	trans	-85.6	-32.8	179.3	58.7	0	0	0	0	114.3	Y66 Y113 L114 A115	Y66-S117 PolarHBondContact OH-O 3.41Å; Y113-S117 VanDerWaalsContact O-CB 3.28Å; Y113-S117 WeakPolarHBondContact O-CB 3.34Å; Y113-S117 PolarHBondContact O-N 2.92Å; Y113-S117 PolarHBondContact O-OG 3.39Å; L114-S117 WeakPolarHBondContact CA-OG 3.25Å; L114-S117 PolarHBondContact O-N 3.14Å; L114-S117 PolarHBondContact O-OG 2.93Å; L114-S117 VanDerWaalsContact O-OG 3.08Å; A115-S117 PolarHBondContact O-N 3.48Å
118	I	95.6	Very high	94.7	Very high	96 Å²	96	53.7 Å²	53.7	49%	0.492	28%	0.284	S	S	.	.	H	α-helix	trans	-89.3	-40.6	-175.8	-65.4	168.6	0	0	0	111.6	L114 A115 A121	L114-I118 HydrophobicContact CB-CD1 4.3Å; L114-I118 HydrophobicContact CD2-CD1 4.47Å; L114-I118 VanDerWaalsContact O-CB 3.27Å; L114-I118 WeakPolarHBondContact O-CB 3.41Å; L114-I118 VanDerWaalsContact O-CG1 3.24Å; L114-I118 WeakPolarHBondContact O-CG1 3.11Å; L114-I118 PolarHBondContact O-N 3.1Å; A115-I118 PolarHBondContact O-N 2.96Å; I118-A121 VanDerWaalsContact O-CB 3.23Å; I118-A121 WeakPolarHBondContact O-CB 3.46Å; I118-A121 PolarHBondContact O-N 3.31Å; I118-A121 VanDerWaalsContact O-N 3.13Å
119	C	93.6	Very high	94.9	Very high	89 Å²	89	55.4 Å²	55.4	60%	0.601	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-60.8	-44.2	-173.5	-67.1	0	0	0	0	113.8	A115 A121 Y122	A115-C119 VanDerWaalsContact O-CB 3.29Å; A115-C119 WeakPolarHBondContact O-CB 3.48Å; A115-C119 PolarHBondContact O-N 3.39Å; A115-C119 PolarHBondContact O-SG 3.17Å; C119-A121 PolarHBondContact O-N 2.87Å; C119-Y122 WeakPolarHBondContact O-CB 3.35Å; C119-Y122 PolarHBondContact O-N 2.76Å
120	P	92.4	Very high	95.2	Very high	11 Å²	11	59.5 Å²	59.5	7%	0.071	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-65	-23.5	177.8	-21	33.5	0	0	0	113.5	Y66 V87 I116 Y122 S123	Y66-P120 HydrophobicContact CD1-CB 4.26Å; Y66-P120 HydrophobicContact CD2-CB 4.49Å; Y66-P120 HydrophobicContact CE1-CB 3.97Å; Y66-P120 HydrophobicContact CE2-CB 4.22Å; Y66-P120 HydrophobicContact CE2-CG 4.36Å; V87-P120 HydrophobicContact CB-CB 4.38Å; V87-P120 HydrophobicContact CB-CG 3.86Å; V87-P120 HydrophobicContact CG2-CG 3.74Å; I116-P120 WeakPolarHBondContact O-CD 3.39Å; I116-P120 WeakPolarHBondContact O-CG 3.3Å; P120-Y122 PolarHBondContact O-N 3.41Å; P120-Y122 VanDerWaalsContact O-N 3.12Å; P120-S123 WeakPolarHBondContact O-CB 3.38Å; P120-S123 PolarHBondContact O-N 3.16Å; P120-S123 PolarHBondContact O-OG 3.46Å
121	A	93.2	Very high	95.3	Very high	38 Å²	38	60.4 Å²	60.4	31%	0.314	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-60.3	-24	177.9	0	0	0	0	0	112.5	Y66 I118 C119 S123 F124	Y66-A121 WeakPolarHBondContact OH-CB 3.35Å; Y66-A121 PolarHBondContact OH-N 2.96Å; I118-A121 VanDerWaalsContact O-CB 3.23Å; I118-A121 WeakPolarHBondContact O-CB 3.46Å; I118-A121 PolarHBondContact O-N 3.31Å; I118-A121 VanDerWaalsContact O-N 3.13Å; C119-A121 PolarHBondContact O-N 2.87Å; A121-S123 PolarHBondContact O-N 3.28Å; A121-F124 WeakPolarHBondContact O-CB 3.29Å; A121-F124 PolarHBondContact O-N 3.38Å; A121-F124 VanDerWaalsContact O-N 3.14Å
122	Y	93.8	Very high	95.4	Very high	143 Å²	143	54.3 Å²	54.3	56%	0.561	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-57.9	-31.5	173.2	-177.9	-103.1	0	0	0	112.2	C119 P120 F124 I125 Y126	C119-Y122 WeakPolarHBondContact O-CB 3.35Å; C119-Y122 PolarHBondContact O-N 2.76Å; P120-Y122 PolarHBondContact O-N 3.41Å; P120-Y122 VanDerWaalsContact O-N 3.12Å; Y122-F124 PolarHBondContact O-N 2.87Å; Y122-F124 VanDerWaalsContact O-N 3.17Å; Y122-I125 HydrophobicContact CD1-CD1 4.47Å; Y122-I125 HydrophobicContact CD2-CD1 4.08Å; Y122-I125 HydrophobicContact CE1-CD1 3.96Å; Y122-I125 HydrophobicContact CE2-CD1 3.5Å; Y122-I125 VanDerWaalsContact CZ-CD1 3.43Å; Y122-I125 VanDerWaalsContact O-CG1 3.29Å; Y122-I125 WeakPolarHBondContact O-CG1 3.46Å; Y122-I125 PolarHBondContact O-N 3.38Å; Y122-Y126 HydrophobicContact CD1-CE2 4.47Å; Y122-Y126 AromaticContact CE1-CE2 3.9Å; Y122-Y126 HydrophobicContact CE1-CE2 3.9Å
123	S	95.2	Very high	95.6	Very high	6 Å²	6	53.4 Å²	53.4	4%	0.042	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-64.2	-22.9	-180	79	0	0	0	0	113	F75 P120 A121 I125 Y126	F75-S123 WeakPolarHBondContact CE1-O 3.38Å; P120-S123 WeakPolarHBondContact O-CB 3.38Å; P120-S123 PolarHBondContact O-N 3.16Å; P120-S123 PolarHBondContact O-OG 3.46Å; A121-S123 PolarHBondContact O-N 3.28Å; S123-I125 PolarHBondContact O-N 3.36Å; S123-Y126 WeakPolarHBondContact O-CB 3.29Å; S123-Y126 PolarHBondContact O-N 3.32Å
124	F	96	Very high	95.7	Very high	19 Å²	19	56.5 Å²	56.5	8%	0.083	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-67.5	-16.3	-178.2	-64.8	-12.5	0	0	0	113.6	Y66 W69 L70 F75 A121 Y122 Y126 M127 Q130 L133 L136	Y66-F124 HydrophobicContact CD1-CE1 4.15Å; Y66-F124 AromaticContact CD1-CZ 3.67Å; Y66-F124 HydrophobicContact CD1-CZ 3.67Å; Y66-F124 HydrophobicContact CE1-CE1 4.14Å; Y66-F124 AromaticContact CE1-CE2 3.91Å; Y66-F124 HydrophobicContact CE1-CE2 3.91Å; Y66-F124 AromaticContact CE1-CZ 3.47Å; Y66-F124 HydrophobicContact CE1-CZ 3.47Å; Y66-F124 VanDerWaalsContact CE1-CZ 3.47Å; W69-F124 HydrophobicContact CB-CE1 3.97Å; W69-F124 HydrophobicContact CB-CZ 3.91Å; W69-F124 HydrophobicContact CG-CZ 4.15Å; L70-F124 HydrophobicContact CD2-CD1 4.45Å; L70-F124 HydrophobicContact CD2-CE1 3.86Å; F75-F124 HydrophobicContact CE1-CD1 4.11Å; F75-F124 HydrophobicContact CZ-CD1 4.06Å; F75-F124 HydrophobicContact CZ-CE1 4.32Å; A121-F124 WeakPolarHBondContact O-CB 3.29Å; A121-F124 PolarHBondContact O-N 3.38Å; A121-F124 VanDerWaalsContact O-N 3.14Å; Y122-F124 PolarHBondContact O-N 2.87Å; Y122-F124 VanDerWaalsContact O-N 3.17Å; F124-Y126 PolarHBondContact O-N 3.26Å; F124-M127 HydrophobicContact CD1-CE 3.46Å; F124-M127 VanDerWaalsContact CD1-CE 3.46Å; F124-M127 HydrophobicContact CE1-CE 3.68Å; F124-M127 HydrophobicContact CG-CE 4.07Å; F124-M127 HydrophobicContact CZ-CE 4.47Å; F124-M127 VanDerWaalsContact O-CB 3.27Å; F124-M127 WeakPolarHBondContact O-CB 3.49Å; F124-M127 PolarHBondContact O-N 3.35Å; F124-M127 VanDerWaalsContact O-N 3.14Å; F124-Q130 PolarHBondContact O-NE2 2.98Å; F124-L133 HydrophobicContact CB-CD1 4.41Å; F124-L133 HydrophobicContact CD2-CD2 3.74Å; F124-L133 HydrophobicContact CE2-CD2 4.04Å; F124-L133 HydrophobicContact CG-CD2 4.33Å; F124-L136 HydrophobicContact CD2-CD2 4.27Å; F124-L136 HydrophobicContact CE2-CD2 3.38Å; F124-L136 HydrophobicContact CZ-CD2 4Å
125	I	95.4	Very high	95.8	Very high	95 Å²	95	57 Å²	57	49%	0.487	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-65.3	-22.9	170.5	76.6	-174.6	0	0	0	112.1	Y122 S123	Y122-I125 HydrophobicContact CD1-CD1 4.47Å; Y122-I125 HydrophobicContact CD2-CD1 4.08Å; Y122-I125 HydrophobicContact CE1-CD1 3.96Å; Y122-I125 HydrophobicContact CE2-CD1 3.5Å; Y122-I125 VanDerWaalsContact CZ-CD1 3.43Å; Y122-I125 VanDerWaalsContact O-CG1 3.29Å; Y122-I125 WeakPolarHBondContact O-CG1 3.46Å; Y122-I125 PolarHBondContact O-N 3.38Å; S123-I125 PolarHBondContact O-N 3.36Å
126	Y	96.3	Very high	95.9	Very high	70 Å²	70	55.5 Å²	55.5	28%	0.275	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-97.4	4.2	177.3	-56.9	-71.5	0	0	0	112.7	F75 H76 W79 Y122 S123 F124	F75-Y126 WeakPolarHBondContact CA-O 3.43Å; H76-Y126 PolarHBondContact N-O 3.39Å; W79-Y126 HydrophobicContact CB-CD2 4.32Å; W79-Y126 HydrophobicContact CB-CG 4.44Å; W79-Y126 AromaticContact CD1-CD1 3.85Å; W79-Y126 AromaticContact CD1-CD2 3.78Å; W79-Y126 AromaticContact CD1-CG 3.53Å; W79-Y126 AromaticContact CD2-CD2 3.9Å; W79-Y126 HydrophobicContact CD2-CD2 3.9Å; W79-Y126 HydrophobicContact CD2-CE2 4.02Å; W79-Y126 HydrophobicContact CD2-CG 4.43Å; W79-Y126 AromaticContact CE2-CE2 3.83Å; W79-Y126 HydrophobicContact CE3-CD2 4.5Å; W79-Y126 HydrophobicContact CE3-CE2 4.44Å; W79-Y126 AromaticContact CG-CD2 3.79Å; W79-Y126 HydrophobicContact CG-CD2 3.79Å; W79-Y126 HydrophobicContact CG-CE2 4.36Å; W79-Y126 AromaticContact CG-CG 3.94Å; W79-Y126 HydrophobicContact CG-CG 3.94Å; W79-Y126 HydrophobicContact CZ2-CE2 4.14Å; W79-Y126 AromaticContact NE1-CD1 3.85Å; W79-Y126 AromaticContact NE1-CD2 3.98Å; W79-Y126 AromaticContact NE1-CE1 3.91Å; W79-Y126 AromaticContact NE1-CG 3.89Å; W79-Y126 AromaticContact NE1-CZ 3.99Å; Y122-Y126 HydrophobicContact CD1-CE2 4.47Å; Y122-Y126 AromaticContact CE1-CE2 3.9Å; Y122-Y126 HydrophobicContact CE1-CE2 3.9Å; S123-Y126 WeakPolarHBondContact O-CB 3.29Å; S123-Y126 PolarHBondContact O-N 3.32Å; F124-Y126 PolarHBondContact O-N 3.26Å
127	M	97.3	Very high	96	Very high	6 Å²	6	59.4 Å²	59.4	3%	0.03	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-79.4	125.1	175.5	-174	-175.6	-73	0	0	109.6	W69 R73 F75 F124 E129	W69-M127 HydrophobicContact CB-CE 4.38Å; W69-M127 HydrophobicContact CE3-CE 4.08Å; W69-M127 HydrophobicContact CE3-SD 4.44Å; R73-M127 HydrophobicContact CB-CE 3.84Å; R73-M127 HydrophobicContact CB-CG 3.86Å; R73-M127 HydrophobicContact CB-SD 3.94Å; R73-M127 HydrophobicContact CG-CE 3.76Å; R73-M127 HydrophobicContact CG-CG 4.2Å; R73-M127 HydrophobicContact CG-SD 3.65Å; F75-M127 HydrophobicContact CD1-CB 4.02Å; F75-M127 HydrophobicContact CE1-CB 3.71Å; F75-M127 HydrophobicContact CE1-CE 3.94Å; F75-M127 HydrophobicContact CE1-CG 4.29Å; F75-M127 HydrophobicContact CE2-CE 3.95Å; F75-M127 HydrophobicContact CE2-CG 4.5Å; F75-M127 HydrophobicContact CZ-CB 4.1Å; F75-M127 HydrophobicContact CZ-CE 3.26Å; F75-M127 HydrophobicContact CZ-CG 4.18Å; F124-M127 HydrophobicContact CD1-CE 3.46Å; F124-M127 VanDerWaalsContact CD1-CE 3.46Å; F124-M127 HydrophobicContact CE1-CE 3.68Å; F124-M127 HydrophobicContact CG-CE 4.07Å; F124-M127 HydrophobicContact CZ-CE 4.47Å; F124-M127 VanDerWaalsContact O-CB 3.27Å; F124-M127 WeakPolarHBondContact O-CB 3.49Å; F124-M127 PolarHBondContact O-N 3.35Å; F124-M127 VanDerWaalsContact O-N 3.14Å; M127-E129 WeakPolarHBondContact CG-O 3.36Å
128	H	95.8	Very high	96.2	Very high	122 Å²	122	60.5 Å²	60.5	57%	0.565	32%	0.318	S	S	*	.	S	Bend	trans	-68.8	-43.8	-176.5	-74.8	-80.8	0	0	0	112.8	D74 H76	D74-H128 PolarHBondContact O-N 2.85Å; D74-H128 IonicContact OD2-CD2 2.74Å; H76-H128 PolarHBondContact N-NE2 3.1Å
129	E	96	Very high	96.3	Very high	98 Å²	98	56 Å²	56	46%	0.458	29%	0.294	S	S	.	.			trans	-111.7	112.2	-178	173.8	51.4	-118.9	0	0	110.2	R73 M127 S131	R73-E129 PolarHBondContact NE-O 3.28Å; R73-E129 VanDerWaalsContact NH1-CG 3.27Å; M127-E129 WeakPolarHBondContact CG-O 3.36Å; E129-S131 WeakPolarHBondContact OE1-CA 3.46Å; E129-S131 WeakPolarHBondContact OE1-CB 3.06Å; E129-S131 PolarHBondContact OE1-N 3.24Å; E129-S131 PolarHBondContact OE1-OG 2.89Å
130	Q	96.3	Very high	96.5	Very high	100 Å²	100	53.6 Å²	53.6	47%	0.467	28%	0.281	S	S	.	.			trans	-101.4	8.7	-169.7	-69.3	-171.4	-13.4	0	0	114.1	F124 L133	F124-Q130 PolarHBondContact O-NE2 2.98Å; Q130-L133 HydrophobicContact CB-CD1 3.74Å; Q130-L133 HydrophobicContact CB-CG 4.29Å; Q130-L133 HydrophobicContact CG-CD1 3.8Å; Q130-L133 VanDerWaalsContact O-CB 3.27Å; Q130-L133 WeakPolarHBondContact O-CB 3.21Å; Q130-L133 VanDerWaalsContact O-CG 3.31Å; Q130-L133 WeakPolarHBondContact O-CG 3.4Å; Q130-L133 PolarHBondContact O-N 3.32Å; Q130-L133 VanDerWaalsContact O-N 3.16Å
131	S	97.4	Very high	96.8	Very high	39 Å²	39	58 Å²	58	27%	0.273	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	144.5	174.1	49.5	0	0	0	0	112.1	R73 E129 L133	R73-S131 PolarHBondContact NH2-O 2.95Å; R73-S131 PolarHBondContact NH2-OG 3.43Å; E129-S131 WeakPolarHBondContact OE1-CA 3.46Å; E129-S131 WeakPolarHBondContact OE1-CB 3.06Å; E129-S131 PolarHBondContact OE1-N 3.24Å; E129-S131 PolarHBondContact OE1-OG 2.89Å; S131-L133 PolarHBondContact O-N 2.98Å
132	G	97.2	Very high	97.1	Very high	4 Å²	4	59.4 Å²	59.4	4%	0.041	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.4	-16.6	-174.5	0	0	0	0	0	115.4	P134 L135 L136	G132-P134 VanDerWaalsContact C-CD 3.47Å; G132-P134 VanDerWaalsContact C-N 3.35Å; G132-L135 WeakPolarHBondContact O-CB 3.24Å; G132-L135 PolarHBondContact O-N 3.5Å; G132-L135 VanDerWaalsContact O-N 3.1Å; G132-L136 PolarHBondContact O-N 3.28Å; G132-L136 VanDerWaalsContact O-N 3.09Å
133	L	97.5	Very high	97.2	Very high	16 Å²	16	54.8 Å²	54.8	8%	0.084	29%	0.285	C	S	.	.	H	α-helix	trans	-56.8	-38.7	176.2	-71.9	-171.7	0	0	0	113.6	W69 F124 Q130 S131 L135 L136 I137	W69-L133 HydrophobicContact CE3-CD2 4.01Å; W69-L133 HydrophobicContact CH2-CD2 4.3Å; W69-L133 HydrophobicContact CZ3-CD2 3.71Å; W69-L133 HydrophobicContact CZ3-CG 4.35Å; F124-L133 HydrophobicContact CB-CD1 4.41Å; F124-L133 HydrophobicContact CD2-CD2 3.74Å; F124-L133 HydrophobicContact CE2-CD2 4.04Å; F124-L133 HydrophobicContact CG-CD2 4.33Å; Q130-L133 HydrophobicContact CB-CD1 3.74Å; Q130-L133 HydrophobicContact CB-CG 4.29Å; Q130-L133 HydrophobicContact CG-CD1 3.8Å; Q130-L133 VanDerWaalsContact O-CB 3.27Å; Q130-L133 WeakPolarHBondContact O-CB 3.21Å; Q130-L133 VanDerWaalsContact O-CG 3.31Å; Q130-L133 WeakPolarHBondContact O-CG 3.4Å; Q130-L133 PolarHBondContact O-N 3.32Å; Q130-L133 VanDerWaalsContact O-N 3.16Å; S131-L133 PolarHBondContact O-N 2.98Å; L133-L135 PolarHBondContact O-N 3Å; L133-L136 HydrophobicContact CD2-CD2 3.77Å; L133-L136 WeakPolarHBondContact O-CB 3.27Å; L133-L136 PolarHBondContact O-N 3.48Å; L133-L136 VanDerWaalsContact O-N 3.12Å; L133-I137 HydrophobicContact CB-CD1 4.39Å; L133-I137 WeakPolarHBondContact O-CB 3.46Å; L133-I137 VanDerWaalsContact O-CG1 3.25Å; L133-I137 WeakPolarHBondContact O-CG1 3.46Å; L133-I137 PolarHBondContact O-N 3.42Å
134	P	98.1	Very high	97.3	Very high	90 Å²	90	58.4 Å²	58.4	58%	0.584	30%	0.303	S	S	*	.	H	α-helix	trans	-56.9	-38.6	175.9	-28.1	36.5	0	0	0	113.1	G132 T138	G132-P134 VanDerWaalsContact C-CD 3.47Å; G132-P134 VanDerWaalsContact C-N 3.35Å; P134-T138 WeakPolarHBondContact O-CB 3.48Å; P134-T138 PolarHBondContact O-N 3.29Å; P134-T138 PolarHBondContact O-OG1 3.23Å
135	L	98.1	Very high	97.4	Very high	58 Å²	58	62.6 Å²	62.6	30%	0.304	32%	0.321	S	S	.	.	H	α-helix	trans	-71.9	-39.1	178.3	-139.3	74.1	0	0	0	111	G132 L133 T138 G139 L173 N176 A177	G132-L135 WeakPolarHBondContact O-CB 3.24Å; G132-L135 PolarHBondContact O-N 3.5Å; G132-L135 VanDerWaalsContact O-N 3.1Å; L133-L135 PolarHBondContact O-N 3Å; L135-T138 PolarHBondContact O-N 3.06Å; L135-G139 PolarHBondContact O-N 3.02Å; L135-L173 HydrophobicContact CD1-CD2 4.42Å; L135-L173 WeakPolarHBondContact CD2-O 3.4Å; L135-L173 HydrophobicContact CG-CD2 4.37Å; L135-N176 HydrophobicContact CD2-CB 3.84Å; L135-A177 HydrophobicContact CB-CB 3.98Å; L135-A177 HydrophobicContact CD2-CB 4.15Å
136	L	98	Very high	97.6	Very high	18 Å²	18	58 Å²	58	9%	0.094	30%	0.298	C	S	.	.	H	α-helix	trans	-62	-47.8	174.5	-177.3	71.9	0	0	0	112.2	W69 F124 G132 L133 G139 A140 Q174	W69-L136 HydrophobicContact CD2-CD2 4.02Å; W69-L136 HydrophobicContact CE3-CD2 4.42Å; W69-L136 HydrophobicContact CH2-CB 4.16Å; W69-L136 HydrophobicContact CH2-CD2 4.32Å; W69-L136 HydrophobicContact CZ2-CB 3.82Å; W69-L136 HydrophobicContact CZ2-CD1 3.99Å; W69-L136 HydrophobicContact CZ2-CD2 3.9Å; W69-L136 HydrophobicContact CZ2-CG 4.12Å; F124-L136 HydrophobicContact CD2-CD2 4.27Å; F124-L136 HydrophobicContact CE2-CD2 3.38Å; F124-L136 HydrophobicContact CZ-CD2 4Å; G132-L136 PolarHBondContact O-N 3.28Å; G132-L136 VanDerWaalsContact O-N 3.09Å; L133-L136 HydrophobicContact CD2-CD2 3.77Å; L133-L136 WeakPolarHBondContact O-CB 3.27Å; L133-L136 PolarHBondContact O-N 3.48Å; L133-L136 VanDerWaalsContact O-N 3.12Å; L136-G139 PolarHBondContact O-N 3.02Å; L136-A140 PolarHBondContact O-N 3.38Å; L136-Q174 HydrophobicContact CD1-CB 4.24Å; L136-Q174 HydrophobicContact CD1-CG 3.75Å; L136-Q174 PolarHBondContact O-NE2 2.67Å
137	I	97.9	Very high	97.6	Very high	95 Å²	95	55.9 Å²	55.9	49%	0.487	29%	0.292	S	S	.	.	H	α-helix	trans	-64.3	-43.6	178.7	-68.4	165.5	0	0	0	110	L133 G139 A140 L141	L133-I137 HydrophobicContact CB-CD1 4.39Å; L133-I137 WeakPolarHBondContact O-CB 3.46Å; L133-I137 VanDerWaalsContact O-CG1 3.25Å; L133-I137 WeakPolarHBondContact O-CG1 3.46Å; L133-I137 PolarHBondContact O-N 3.42Å; I137-G139 VanDerWaalsContact C-N 3.28Å; I137-G139 PolarHBondContact O-N 2.95Å; I137-A140 CarbonylContact O-C 3.6Å; I137-A140 WeakPolarHBondContact O-CA 3.09Å; I137-A140 WeakPolarHBondContact O-CB 3.3Å; I137-A140 PolarHBondContact O-N 3.49Å; I137-L141 HydrophobicContact CG2-CD1 4.41Å; I137-L141 HydrophobicContact CG2-CG 4.47Å; I137-L141 WeakPolarHBondContact O-CG 3.48Å; I137-L141 PolarHBondContact O-N 3.06Å
138	T	98.5	Very high	97.6	Very high	58 Å²	58	60 Å²	60	36%	0.356	31%	0.313	S	S	.	.	H	α-helix	trans	-58.3	-44.4	175.5	-54.8	0	0	0	0	110.3	P134 L135 A140 L141 F142 L173	P134-T138 WeakPolarHBondContact O-CB 3.48Å; P134-T138 PolarHBondContact O-N 3.29Å; P134-T138 PolarHBondContact O-OG1 3.23Å; L135-T138 PolarHBondContact O-N 3.06Å; T138-A140 PolarHBondContact O-N 2.94Å; T138-L141 WeakPolarHBondContact O-CB 3.31Å; T138-L141 PolarHBondContact O-N 3.49Å; T138-F142 HydrophobicContact CG2-CD2 4.3Å; T138-F142 HydrophobicContact CG2-CE2 4.12Å; T138-F142 WeakPolarHBondContact O-CD2 3.28Å; T138-F142 PolarHBondContact O-N 3.22Å; T138-F142 VanDerWaalsContact O-N 3.14Å; T138-L173 HydrophobicContact CG2-CD1 3.74Å
139	G	98.6	Very high	97.6	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-60.2	-41.3	172.4	0	0	0	0	0	113.4	L135 L136 I137 L141 F142 Y143 A170	L135-G139 PolarHBondContact O-N 3.02Å; L136-G139 PolarHBondContact O-N 3.02Å; I137-G139 VanDerWaalsContact C-N 3.28Å; I137-G139 PolarHBondContact O-N 2.95Å; G139-L141 VanDerWaalsContact C-N 3.32Å; G139-L141 PolarHBondContact O-N 2.84Å; G139-F142 WeakPolarHBondContact O-CB 3.15Å; G139-F142 PolarHBondContact O-N 3.08Å; G139-F142 VanDerWaalsContact O-N 3.15Å; G139-Y143 PolarHBondContact O-N 2.55Å; G139-Y143 VanDerWaalsContact O-N 3.15Å; G139-A170 WeakPolarHBondContact O-CB 3.45Å
140	A	97.8	Very high	97.6	Very high	39 Å²	39	54.9 Å²	54.9	32%	0.322	29%	0.288	S	S	.	.	H	α-helix	trans	-61.5	-39.4	175.7	0	0	0	0	0	112.6	L136 I137 T138 F142 Y143 L144	L136-A140 PolarHBondContact O-N 3.38Å; I137-A140 CarbonylContact O-C 3.6Å; I137-A140 WeakPolarHBondContact O-CA 3.09Å; I137-A140 WeakPolarHBondContact O-CB 3.3Å; I137-A140 PolarHBondContact O-N 3.49Å; T138-A140 PolarHBondContact O-N 2.94Å; A140-F142 VanDerWaalsContact C-N 3.31Å; A140-F142 PolarHBondContact O-N 2.96Å; A140-Y143 PolarHBondContact O-N 3.43Å; A140-L144 WeakPolarHBondContact O-CG 3.46Å; A140-L144 PolarHBondContact O-N 3.21Å
141	L	98.3	Very high	97.5	Very high	104 Å²	104	54.4 Å²	54.4	55%	0.545	28%	0.284	S	S	.	.	H	α-helix	trans	-63.4	-36.8	174.6	-66.9	174.9	0	0	0	111.9	I137 T138 G139 L144 F145	I137-L141 HydrophobicContact CG2-CD1 4.41Å; I137-L141 HydrophobicContact CG2-CG 4.47Å; I137-L141 WeakPolarHBondContact O-CG 3.48Å; I137-L141 PolarHBondContact O-N 3.06Å; T138-L141 WeakPolarHBondContact O-CB 3.31Å; T138-L141 PolarHBondContact O-N 3.49Å; G139-L141 VanDerWaalsContact C-N 3.32Å; G139-L141 PolarHBondContact O-N 2.84Å; L141-L144 PolarHBondContact O-N 3.46Å; L141-F145 VanDerWaalsContact O-CB 3.28Å; L141-F145 WeakPolarHBondContact O-CB 3.45Å; L141-F145 PolarHBondContact O-N 3.03Å
142	F	98.6	Very high	97.4	Very high	67 Å²	67	55.3 Å²	55.3	29%	0.294	29%	0.286	S	S	.	.	H	α-helix	trans	-64.1	-39.3	173.3	-87.9	-81.2	0	0	0	112.6	T138 G139 A140 G146 I169 A170 L173	T138-F142 HydrophobicContact CG2-CD2 4.3Å; T138-F142 HydrophobicContact CG2-CE2 4.12Å; T138-F142 WeakPolarHBondContact O-CD2 3.28Å; T138-F142 PolarHBondContact O-N 3.22Å; T138-F142 VanDerWaalsContact O-N 3.14Å; G139-F142 WeakPolarHBondContact O-CB 3.15Å; G139-F142 PolarHBondContact O-N 3.08Å; G139-F142 VanDerWaalsContact O-N 3.15Å; A140-F142 VanDerWaalsContact C-N 3.31Å; A140-F142 PolarHBondContact O-N 2.96Å; F142-G146 PolarHBondContact O-N 2.88Å; F142-I169 HydrophobicContact CD1-CB 4.21Å; F142-I169 HydrophobicContact CD1-CG2 3.86Å; F142-I169 HydrophobicContact CD2-CG2 3.89Å; F142-I169 HydrophobicContact CE1-CB 4.4Å; F142-I169 HydrophobicContact CE1-CD1 4.15Å; F142-I169 HydrophobicContact CE1-CG2 3.78Å; F142-I169 HydrophobicContact CE2-CG2 3.82Å; F142-I169 HydrophobicContact CG-CB 4.47Å; F142-I169 HydrophobicContact CG-CG2 3.92Å; F142-I169 HydrophobicContact CZ-CG2 3.77Å; F142-A170 HydrophobicContact CB-CB 3.87Å; F142-L173 HydrophobicContact CD2-CD1 3.78Å; F142-L173 HydrophobicContact CE2-CD1 3.9Å
143	Y	97.8	Very high	97.2	Very high	47 Å²	47	59 Å²	59	18%	0.184	30%	0.304	C	S	.	.	H	α-helix	trans	-61.3	-49.7	172.1	-69.1	-55.6	0	0	0	111.4	F61 G139 A140 F145 G146 V147 V167 A170 I171	F61-Y143 WeakPolarHBondContact CE1-OH 3.28Å; G139-Y143 PolarHBondContact O-N 2.55Å; G139-Y143 VanDerWaalsContact O-N 3.15Å; A140-Y143 PolarHBondContact O-N 3.43Å; Y143-F145 VanDerWaalsContact C-N 3.35Å; Y143-F145 PolarHBondContact O-N 3.14Å; Y143-G146 PolarHBondContact O-N 3.43Å; Y143-G146 VanDerWaalsContact O-N 3.14Å; Y143-V147 WeakPolarHBondContact O-CG2 3.49Å; Y143-V147 PolarHBondContact O-N 2.84Å; Y143-V167 HydrophobicContact CD1-CG2 4.2Å; Y143-V167 HydrophobicContact CE1-CB 4.34Å; Y143-V167 HydrophobicContact CE1-CG1 4.17Å; Y143-V167 HydrophobicContact CE1-CG2 4.28Å; Y143-A170 HydrophobicContact CD1-CB 3.72Å; Y143-A170 HydrophobicContact CD2-CB 3.87Å; Y143-A170 HydrophobicContact CE1-CB 3.5Å; Y143-A170 VanDerWaalsContact CE1-CB 3.5Å; Y143-A170 HydrophobicContact CE2-CB 3.65Å; Y143-A170 HydrophobicContact CG-CB 3.89Å; Y143-A170 VanDerWaalsContact CZ-CB 3.45Å; Y143-I171 WeakPolarHBondContact OH-CG1 3.49Å
144	L	97.1	Very high	97	Very high	81 Å²	81	61.8 Å²	61.8	42%	0.424	34%	0.337	S	S	.	.	H	α-helix	trans	-61.3	-42.9	-179.2	-68.7	174.8	0	0	0	112.2	L114 A140 L141 G146 V147	L114-L144 HydrophobicContact CD2-CD2 3.77Å; A140-L144 WeakPolarHBondContact O-CG 3.46Å; A140-L144 PolarHBondContact O-N 3.21Å; L141-L144 PolarHBondContact O-N 3.46Å; L144-G146 VanDerWaalsContact C-N 3.34Å; L144-V147 WeakPolarHBondContact O-CB 3.17Å; L144-V147 PolarHBondContact O-N 3.35Å
145	F	98.1	Very high	96.8	Very high	107 Å²	107	64.7 Å²	64.7	47%	0.469	34%	0.343	S	S	.	.	H	α-helix	trans	-62.8	-43.2	174.3	178.8	-110.3	0	0	0	111.4	L141 Y143 V147 I148 F149	L141-F145 VanDerWaalsContact O-CB 3.28Å; L141-F145 WeakPolarHBondContact O-CB 3.45Å; L141-F145 PolarHBondContact O-N 3.03Å; Y143-F145 VanDerWaalsContact C-N 3.35Å; Y143-F145 PolarHBondContact O-N 3.14Å; F145-V147 PolarHBondContact O-N 3.03Å; F145-I148 HydrophobicContact CD2-CD1 4.21Å; F145-I148 VanDerWaalsContact O-CB 3.31Å; F145-I148 WeakPolarHBondContact O-CB 3.4Å; F145-I148 WeakPolarHBondContact O-CG1 3.37Å; F145-I148 PolarHBondContact O-N 3.28Å; F145-I148 VanDerWaalsContact O-N 3.17Å; F145-F149 HydrophobicContact CD1-CE2 4.11Å; F145-F149 HydrophobicContact CE1-CD2 4.35Å; F145-F149 AromaticContact CE1-CE2 3.48Å; F145-F149 HydrophobicContact CE1-CE2 3.48Å; F145-F149 VanDerWaalsContact CE1-CE2 3.48Å; F145-F149 HydrophobicContact CE1-CZ 4.27Å; F145-F149 HydrophobicContact CE2-CE2 4.12Å; F145-F149 AromaticContact CZ-CE2 3.49Å; F145-F149 HydrophobicContact CZ-CE2 3.49Å; F145-F149 VanDerWaalsContact CZ-CE2 3.49Å; F145-F149 HydrophobicContact CZ-CZ 4.01Å
146	G	97.9	Very high	96.7	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-57.5	-35.6	176.1	0	0	0	0	0	113.2	F142 Y143 L144 I148 F149 F150	F142-G146 PolarHBondContact O-N 2.88Å; Y143-G146 PolarHBondContact O-N 3.43Å; Y143-G146 VanDerWaalsContact O-N 3.14Å; L144-G146 VanDerWaalsContact C-N 3.34Å; G146-I148 PolarHBondContact O-N 3.45Å; G146-I148 VanDerWaalsContact O-N 3.1Å; G146-F149 WeakPolarHBondContact O-CA 3.19Å; G146-F149 PolarHBondContact O-N 3.03Å; G146-F150 PolarHBondContact O-N 3.42Å
147	V	96.8	Very high	96.5	Very high	24 Å²	24	70 Å²	70	15%	0.145	38%	0.377	C	S	.	.	H	α-helix	trans	-57.3	-30	-179.3	168	0	0	0	0	111.8	L110 Y143 L144 F145 F150 K151 W163	L110-V147 HydrophobicContact CD1-CG1 4.06Å; L110-V147 HydrophobicContact CD1-CG2 4.03Å; L110-V147 HydrophobicContact CD2-CG1 3.65Å; L110-V147 HydrophobicContact CG-CG1 4.41Å; Y143-V147 WeakPolarHBondContact O-CG2 3.49Å; Y143-V147 PolarHBondContact O-N 2.84Å; L144-V147 WeakPolarHBondContact O-CB 3.17Å; L144-V147 PolarHBondContact O-N 3.35Å; F145-V147 PolarHBondContact O-N 3.03Å; V147-F150 PolarHBondContact O-N 3.32Å; V147-K151 PolarHBondContact O-N 3.15Å; V147-W163 HydrophobicContact CG2-CH2 4.13Å; V147-W163 HydrophobicContact CG2-CZ3 3.95Å
148	I	97.2	Very high	96.3	Very high	92 Å²	92	71.9 Å²	71.9	47%	0.472	39%	0.387	S	S	.	.	H	α-helix	trans	-59.4	-49.4	173.9	-57.7	174.3	0	0	0	109.8	F145 G146 K151 L152	F145-I148 HydrophobicContact CD2-CD1 4.21Å; F145-I148 VanDerWaalsContact O-CB 3.31Å; F145-I148 WeakPolarHBondContact O-CB 3.4Å; F145-I148 WeakPolarHBondContact O-CG1 3.37Å; F145-I148 PolarHBondContact O-N 3.28Å; F145-I148 VanDerWaalsContact O-N 3.17Å; G146-I148 PolarHBondContact O-N 3.45Å; G146-I148 VanDerWaalsContact O-N 3.1Å; I148-K151 PolarHBondContact O-N 3.14Å; I148-L152 HydrophobicContact CG2-CD1 3.76Å; I148-L152 WeakPolarHBondContact O-CB 3.35Å; I148-L152 WeakPolarHBondContact O-CG 3.38Å; I148-L152 PolarHBondContact O-N 3.38Å
149	F	97.2	Very high	96.3	Very high	40 Å²	40	69.1 Å²	69.1	18%	0.175	37%	0.37	C	S	.	.	H	α-helix	trans	-69.8	-35	178.6	-65.1	-83.8	0	0	0	112.8	F145 G146 K151 L152 D153 A159 I162 W163	F145-F149 HydrophobicContact CD1-CE2 4.11Å; F145-F149 HydrophobicContact CE1-CD2 4.35Å; F145-F149 AromaticContact CE1-CE2 3.48Å; F145-F149 HydrophobicContact CE1-CE2 3.48Å; F145-F149 VanDerWaalsContact CE1-CE2 3.48Å; F145-F149 HydrophobicContact CE1-CZ 4.27Å; F145-F149 HydrophobicContact CE2-CE2 4.12Å; F145-F149 AromaticContact CZ-CE2 3.49Å; F145-F149 HydrophobicContact CZ-CE2 3.49Å; F145-F149 VanDerWaalsContact CZ-CE2 3.49Å; F145-F149 HydrophobicContact CZ-CZ 4.01Å; G146-F149 WeakPolarHBondContact O-CA 3.19Å; G146-F149 PolarHBondContact O-N 3.03Å; F149-K151 VanDerWaalsContact C-N 3.29Å; F149-K151 PolarHBondContact O-N 2.97Å; F149-L152 CarbonylContact O-C 3.46Å; F149-L152 PolarHBondContact O-N 3.03Å; F149-L152 VanDerWaalsContact O-N 3.16Å; F149-D153 PolarHBondContact O-N 2.91Å; F149-A159 WeakPolarHBondContact CB-O 3.28Å; F149-I162 HydrophobicContact CB-CB 4.42Å; F149-I162 HydrophobicContact CB-CG2 4.33Å; F149-I162 HydrophobicContact CD1-CB 4Å; F149-I162 HydrophobicContact CD1-CD1 3.97Å; F149-I162 HydrophobicContact CD1-CG2 3.7Å; F149-I162 HydrophobicContact CD2-CG2 3.79Å; F149-I162 HydrophobicContact CE1-CB 4.49Å; F149-I162 HydrophobicContact CE1-CD1 3.95Å; F149-I162 HydrophobicContact CE1-CG2 3.87Å; F149-I162 HydrophobicContact CE2-CG2 3.98Å; F149-I162 HydrophobicContact CG-CB 4.12Å; F149-I162 HydrophobicContact CG-CG2 3.64Å; F149-I162 HydrophobicContact CZ-CG2 4.01Å; F149-W163 HydrophobicContact CB-CB 4.36Å
150	F	95.1	Very high	96.1	Very high	73 Å²	73	71.3 Å²	71.3	32%	0.32	38%	0.38	S	S	.	.	H	α-helix	trans	-59	-41.4	172.6	178.6	-105.5	0	0	0	111.7	G146 V147 D153 W163	G146-F150 PolarHBondContact O-N 3.42Å; V147-F150 PolarHBondContact O-N 3.32Å; F150-D153 WeakPolarHBondContact O-CB 3.26Å; F150-D153 PolarHBondContact O-N 3.15Å; F150-W163 HydrophobicContact CB-CB 4.46Å; F150-W163 HydrophobicContact CB-CD2 3.83Å; F150-W163 HydrophobicContact CB-CE3 4Å; F150-W163 HydrophobicContact CB-CG 4.07Å; F150-W163 HydrophobicContact CB-CZ3 4.45Å; F150-W163 HydrophobicContact CD2-CD2 4.37Å; F150-W163 HydrophobicContact CD2-CG 4.33Å; F150-W163 AromaticContact CD2-NE1 3.88Å; F150-W163 HydrophobicContact CG-CD2 4.44Å
151	K	94.9	Very high	96	Very high	91 Å²	91	71.6 Å²	71.6	40%	0.396	38%	0.383	S	S	.	.	H	α-helix	trans	-74	-25.1	175.7	-76.5	-61.6	-166.6	-175.5	0	114	S107 L110 V147 I148 F149 D153	S107-K151 PolarHBondContact OG-NZ 3.18Å; S107-K151 VanDerWaalsContact OG-NZ 3.15Å; L110-K151 HydrophobicContact CD2-CD 4.38Å; L110-K151 VanDerWaalsContact CD2-CE 3.42Å; L110-K151 HydrophobicContact CD2-CG 4.34Å; V147-K151 PolarHBondContact O-N 3.15Å; I148-K151 PolarHBondContact O-N 3.14Å; F149-K151 VanDerWaalsContact C-N 3.29Å; F149-K151 PolarHBondContact O-N 2.97Å; K151-D153 VanDerWaalsContact C-N 3.28Å
152	L	95.7	Very high	96	Very high	58 Å²	58	69.6 Å²	69.6	30%	0.304	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	4.5	175.4	-65	169.6	0	0	0	112.7	I148 F149 G154 H155 I156 A159	I148-L152 HydrophobicContact CG2-CD1 3.76Å; I148-L152 WeakPolarHBondContact O-CB 3.35Å; I148-L152 WeakPolarHBondContact O-CG 3.38Å; I148-L152 PolarHBondContact O-N 3.38Å; F149-L152 CarbonylContact O-C 3.46Å; F149-L152 PolarHBondContact O-N 3.03Å; F149-L152 VanDerWaalsContact O-N 3.16Å; L152-G154 PolarHBondContact O-N 2.98Å; L152-H155 WeakPolarHBondContact O-CA 3.06Å; L152-H155 WeakPolarHBondContact O-CB 3.28Å; L152-H155 PolarHBondContact O-N 3.28Å; L152-I156 HydrophobicContact CB-CD1 4.17Å; L152-I156 HydrophobicContact CB-CG1 4.38Å; L152-I156 HydrophobicContact CD1-CD1 3.72Å; L152-I156 HydrophobicContact CD2-CD1 4.46Å; L152-I156 HydrophobicContact CG-CD1 4.34Å; L152-I156 PolarHBondContact O-N 3.25Å; L152-I156 VanDerWaalsContact O-N 3.16Å; L152-A159 HydrophobicContact CB-CB 4.42Å
153	D	92.4	Very high	96	Very high	80 Å²	80	68.5 Å²	68.5	43%	0.428	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	137.7	172.4	-169.1	25.7	0	0	0	110.8	F149 F150 K151 H155 H160	F149-D153 PolarHBondContact O-N 2.91Å; F150-D153 WeakPolarHBondContact O-CB 3.26Å; F150-D153 PolarHBondContact O-N 3.15Å; K151-D153 VanDerWaalsContact C-N 3.28Å; D153-H155 PolarHBondContact O-N 3.38Å; D153-H155 PolarHBondContact O-ND1 3.47Å; D153-H155 VanDerWaalsContact O-ND1 3.14Å; D153-H160 HydrophobicContact CB-CB 4.49Å; D153-H160 IonicContact OD2-CG 2.66Å; D153-H160 IonicContact OD2-ND1 3.14Å
154	G	92.2	Very high	95.9	Very high	75 Å²	75	69 Å²	69	77%	0.773	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	-10.8	-169.1	0	0	0	0	0	116.2	L152	L152-G154 PolarHBondContact O-N 2.98Å
155	H	94.9	Very high	96	Very high	152 Å²	152	68.7 Å²	68.7	70%	0.704	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	-37.7	178.4	-61.8	74.5	0	0	0	112.7	L152 D153	L152-H155 WeakPolarHBondContact O-CA 3.06Å; L152-H155 WeakPolarHBondContact O-CB 3.28Å; L152-H155 PolarHBondContact O-N 3.28Å; D153-H155 PolarHBondContact O-N 3.38Å; D153-H155 PolarHBondContact O-ND1 3.47Å; D153-H155 VanDerWaalsContact O-ND1 3.14Å
156	I	94.6	Very high	96	Very high	74 Å²	74	64 Å²	64	38%	0.379	35%	0.354	S	S	.	.	S	Bend	trans	-117.8	135	179.9	-60.1	179.7	0	0	0	108.8	L152 L158 A159	L152-I156 HydrophobicContact CB-CD1 4.17Å; L152-I156 HydrophobicContact CB-CG1 4.38Å; L152-I156 HydrophobicContact CD1-CD1 3.72Å; L152-I156 HydrophobicContact CD2-CD1 4.46Å; L152-I156 HydrophobicContact CG-CD1 4.34Å; L152-I156 PolarHBondContact O-N 3.25Å; L152-I156 VanDerWaalsContact O-N 3.16Å; I156-L158 PolarHBondContact O-N 3.44Å; I156-A159 HydrophobicContact CB-CB 4.18Å; I156-A159 WeakPolarHBondContact O-CB 3.17Å; I156-A159 PolarHBondContact O-N 2.97Å
157	P	94.5	Very high	96	Very high	113 Å²	113	64.8 Å²	64.8	73%	0.734	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	135.2	176.5	24.5	-34.5	0	0	0	110.6	A159	P157-A159 PolarHBondContact O-N 3.27Å
158	L	94.7	Very high	96.1	Very high	135 Å²	135	69.3 Å²	69.3	71%	0.707	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	11.5	178.8	-51.9	174.7	0	0	0	115.7	I156 H160 A161 I162	I156-L158 PolarHBondContact O-N 3.44Å; L158-H160 VanDerWaalsContact C-N 3.29Å; L158-H160 PolarHBondContact O-N 3.28Å; L158-A161 HydrophobicContact CB-CB 4.36Å; L158-A161 WeakPolarHBondContact O-CA 3.36Å; L158-A161 WeakPolarHBondContact O-CB 3.33Å; L158-A161 PolarHBondContact O-N 2.85Å; L158-I162 WeakPolarHBondContact O-CG1 3.28Å; L158-I162 PolarHBondContact O-N 3.07Å
159	A	97.3	Very high	96.1	Very high	0 Å²	0	68 Å²	68	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-54.6	-43.2	179.5	0	0	0	0	0	112.7	F149 L152 I156 P157 A161 I162 W163	F149-A159 WeakPolarHBondContact CB-O 3.28Å; L152-A159 HydrophobicContact CB-CB 4.42Å; I156-A159 HydrophobicContact CB-CB 4.18Å; I156-A159 WeakPolarHBondContact O-CB 3.17Å; I156-A159 PolarHBondContact O-N 2.97Å; P157-A159 PolarHBondContact O-N 3.27Å; A159-A161 VanDerWaalsContact C-N 3.33Å; A159-A161 PolarHBondContact O-N 3.12Å; A159-I162 PolarHBondContact O-N 3Å; A159-W163 PolarHBondContact O-N 3.07Å
160	H	95.3	Very high	96.2	Very high	45 Å²	45	66.1 Å²	66.1	21%	0.208	36%	0.362	C	S	.	.	H	α-helix	trans	-62.2	-36.7	174.8	-165.6	57.5	0	0	0	113.8	H35 D153 L158 W163 H164	H35-H160 AromaticContact CE1-CD2 3.97Å; H35-H160 AromaticContact CE1-NE2 3.2Å; H35-H160 PolarHBondContact CE1-NE2 3.08Å; H35-H160 AromaticContact NE2-NE2 3.24Å; H35-H160 PolarHBondContact NE2-NE2 2.95Å; D153-H160 HydrophobicContact CB-CB 4.49Å; D153-H160 IonicContact OD2-CG 2.66Å; D153-H160 IonicContact OD2-ND1 3.14Å; L158-H160 VanDerWaalsContact C-N 3.29Å; L158-H160 PolarHBondContact O-N 3.28Å; H160-W163 AromaticContact CE1-CD1 3.95Å; H160-W163 AromaticContact ND1-CD1 3.9Å; H160-W163 WeakPolarHBondContact O-CB 3.4Å; H160-W163 PolarHBondContact O-N 2.87Å; H160-H164 AromaticContact CD2-CD2 3.71Å; H160-H164 AromaticContact CD2-NE2 3.56Å; H160-H164 AromaticContact CE1-NE2 3.56Å; H160-H164 AromaticContact NE2-CD2 3.55Å; H160-H164 AromaticContact NE2-CE1 3.95Å; H160-H164 AromaticContact NE2-NE2 2.92Å; H160-H164 PolarHBondContact NE2-NE2 2.82Å; H160-H164 PolarHBondContact O-CD2 3.37Å; H160-H164 VanDerWaalsContact O-CD2 3.28Å; H160-H164 PolarHBondContact O-N 3.49Å; H160-H164 VanDerWaalsContact O-N 3.09Å
161	A	96.3	Very high	96.4	Very high	46 Å²	46	63 Å²	63	38%	0.38	35%	0.348	S	S	.	.	H	α-helix	trans	-69	-40.2	176	0	0	0	0	0	111.4	L158 A159 W163 H164 C165	L158-A161 HydrophobicContact CB-CB 4.36Å; L158-A161 WeakPolarHBondContact O-CA 3.36Å; L158-A161 WeakPolarHBondContact O-CB 3.33Å; L158-A161 PolarHBondContact O-N 2.85Å; A159-A161 VanDerWaalsContact C-N 3.33Å; A159-A161 PolarHBondContact O-N 3.12Å; A161-W163 VanDerWaalsContact C-N 3.3Å; A161-W163 PolarHBondContact O-N 2.74Å; A161-H164 PolarHBondContact O-N 2.93Å; A161-C165 PolarHBondContact O-N 2.79Å; A161-C165 PolarHBondContact O-SG 2.77Å; A161-C165 VanDerWaalsContact O-SG 3.39Å
162	I	97.6	Very high	96.6	Very high	62 Å²	62	64.1 Å²	64.1	32%	0.318	35%	0.354	S	S	.	.	H	α-helix	trans	-61.9	-41.5	174.4	-62.5	167.6	0	0	0	110.2	F149 L158 A159 H164 C165 C166	F149-I162 HydrophobicContact CB-CB 4.42Å; F149-I162 HydrophobicContact CB-CG2 4.33Å; F149-I162 HydrophobicContact CD1-CB 4Å; F149-I162 HydrophobicContact CD1-CD1 3.97Å; F149-I162 HydrophobicContact CD1-CG2 3.7Å; F149-I162 HydrophobicContact CD2-CG2 3.79Å; F149-I162 HydrophobicContact CE1-CB 4.49Å; F149-I162 HydrophobicContact CE1-CD1 3.95Å; F149-I162 HydrophobicContact CE1-CG2 3.87Å; F149-I162 HydrophobicContact CE2-CG2 3.98Å; F149-I162 HydrophobicContact CG-CB 4.12Å; F149-I162 HydrophobicContact CG-CG2 3.64Å; F149-I162 HydrophobicContact CZ-CG2 4.01Å; L158-I162 WeakPolarHBondContact O-CG1 3.28Å; L158-I162 PolarHBondContact O-N 3.07Å; A159-I162 PolarHBondContact O-N 3Å; I162-H164 PolarHBondContact O-N 3.4Å; I162-C165 WeakPolarHBondContact O-CB 3.43Å; I162-C165 PolarHBondContact O-N 2.67Å; I162-C165 VanDerWaalsContact O-N 3.17Å; I162-C166 PolarHBondContact O-N 3.02Å; I162-C166 PolarHBondContact O-SG 3.26Å; I162-C166 VanDerWaalsContact O-SG 3.39Å
163	W	97.5	Very high	96.7	Very high	44 Å²	44	63 Å²	63	17%	0.167	35%	0.347	C	S	.	.	H	α-helix	trans	-53.8	-50.3	171.9	160.5	-112.2	0	0	0	111.9	V147 F149 F150 A159 H160 A161 C165 C166 V167	V147-W163 HydrophobicContact CG2-CH2 4.13Å; V147-W163 HydrophobicContact CG2-CZ3 3.95Å; F149-W163 HydrophobicContact CB-CB 4.36Å; F150-W163 HydrophobicContact CB-CB 4.46Å; F150-W163 HydrophobicContact CB-CD2 3.83Å; F150-W163 HydrophobicContact CB-CE3 4Å; F150-W163 HydrophobicContact CB-CG 4.07Å; F150-W163 HydrophobicContact CB-CZ3 4.45Å; F150-W163 HydrophobicContact CD2-CD2 4.37Å; F150-W163 HydrophobicContact CD2-CG 4.33Å; F150-W163 AromaticContact CD2-NE1 3.88Å; F150-W163 HydrophobicContact CG-CD2 4.44Å; A159-W163 PolarHBondContact O-N 3.07Å; H160-W163 AromaticContact CE1-CD1 3.95Å; H160-W163 AromaticContact ND1-CD1 3.9Å; H160-W163 WeakPolarHBondContact O-CB 3.4Å; H160-W163 PolarHBondContact O-N 2.87Å; A161-W163 VanDerWaalsContact C-N 3.3Å; A161-W163 PolarHBondContact O-N 2.74Å; W163-C165 VanDerWaalsContact C-N 3.32Å; W163-C165 PolarHBondContact O-N 2.76Å; W163-C166 WeakPolarHBondContact O-CB 3.23Å; W163-C166 PolarHBondContact O-N 3.01Å; W163-C166 VanDerWaalsContact O-N 3.16Å; W163-V167 HydrophobicContact CD2-CG2 3.98Å; W163-V167 HydrophobicContact CE3-CG2 4.11Å; W163-V167 HydrophobicContact CH2-CG2 3.97Å; W163-V167 HydrophobicContact CZ2-CG2 3.75Å; W163-V167 HydrophobicContact CZ3-CG2 4.13Å; W163-V167 WeakPolarHBondContact O-CG2 3.46Å; W163-V167 PolarHBondContact O-N 2.75Å
164	H	97	Very high	97	Very high	56 Å²	56	59.7 Å²	59.7	26%	0.259	33%	0.33	S	S	.	.	H	α-helix	trans	-60.9	-38.8	176.6	-78.3	-60.9	0	0	0	113.2	S31 H35 H160 A161 I162 V167 F168	S31-H164 PolarHBondContact OG-CE1 3.2Å; H35-H164 AromaticContact CD2-NE2 3.82Å; H35-H164 AromaticContact NE2-CE1 3.92Å; H35-H164 AromaticContact NE2-NE2 3.44Å; H35-H164 PolarHBondContact NE2-NE2 2.89Å; H160-H164 AromaticContact CD2-CD2 3.71Å; H160-H164 AromaticContact CD2-NE2 3.56Å; H160-H164 AromaticContact CE1-NE2 3.56Å; H160-H164 AromaticContact NE2-CD2 3.55Å; H160-H164 AromaticContact NE2-CE1 3.95Å; H160-H164 AromaticContact NE2-NE2 2.92Å; H160-H164 PolarHBondContact NE2-NE2 2.82Å; H160-H164 PolarHBondContact O-CD2 3.37Å; H160-H164 VanDerWaalsContact O-CD2 3.28Å; H160-H164 PolarHBondContact O-N 3.49Å; H160-H164 VanDerWaalsContact O-N 3.09Å; A161-H164 PolarHBondContact O-N 2.93Å; I162-H164 PolarHBondContact O-N 3.4Å; H164-V167 PolarHBondContact O-N 3.4Å; H164-F168 WeakPolarHBondContact O-CB 3.3Å; H164-F168 PolarHBondContact O-N 3.35Å
165	C	98.2	Very high	97.3	Very high	76 Å²	76	58 Å²	58	51%	0.514	30%	0.301	S	S	.	.	H	α-helix	trans	-60.7	-44.1	174.1	-69.4	0	0	0	0	111.6	A161 I162 W163 F168 I169	A161-C165 PolarHBondContact O-N 2.79Å; A161-C165 PolarHBondContact O-SG 2.77Å; A161-C165 VanDerWaalsContact O-SG 3.39Å; I162-C165 WeakPolarHBondContact O-CB 3.43Å; I162-C165 PolarHBondContact O-N 2.67Å; I162-C165 VanDerWaalsContact O-N 3.17Å; W163-C165 VanDerWaalsContact C-N 3.32Å; W163-C165 PolarHBondContact O-N 2.76Å; C165-F168 PolarHBondContact O-N 3.19Å; C165-I169 VanDerWaalsContact O-CG1 3.3Å; C165-I169 WeakPolarHBondContact O-CG1 3.25Å; C165-I169 PolarHBondContact O-N 2.8Å
166	C	98.5	Very high	97.4	Very high	8 Å²	8	52.8 Å²	52.8	5%	0.054	28%	0.278	C	S	.	.	H	α-helix	trans	-60.8	-45.2	175.5	-67.3	0	0	0	0	111.9	I162 W163 F168 I169 A170	I162-C166 PolarHBondContact O-N 3.02Å; I162-C166 PolarHBondContact O-SG 3.26Å; I162-C166 VanDerWaalsContact O-SG 3.39Å; W163-C166 WeakPolarHBondContact O-CB 3.23Å; W163-C166 PolarHBondContact O-N 3.01Å; W163-C166 VanDerWaalsContact O-N 3.16Å; C166-F168 PolarHBondContact O-N 2.97Å; C166-I169 PolarHBondContact O-N 3.12Å; C166-A170 WeakPolarHBondContact O-CB 3.33Å; C166-A170 PolarHBondContact O-N 3.25Å
167	V	98.1	Very high	97.6	Very high	16 Å²	16	49.2 Å²	49.2	10%	0.097	26%	0.26	C	S	.	.	H	α-helix	trans	-59.3	-45.6	175.8	168.1	0	0	0	0	111.1	Y143 W163 H164 A170 I171	Y143-V167 HydrophobicContact CD1-CG2 4.2Å; Y143-V167 HydrophobicContact CE1-CB 4.34Å; Y143-V167 HydrophobicContact CE1-CG1 4.17Å; Y143-V167 HydrophobicContact CE1-CG2 4.28Å; W163-V167 HydrophobicContact CD2-CG2 3.98Å; W163-V167 HydrophobicContact CE3-CG2 4.11Å; W163-V167 HydrophobicContact CH2-CG2 3.97Å; W163-V167 HydrophobicContact CZ2-CG2 3.75Å; W163-V167 HydrophobicContact CZ3-CG2 4.13Å; W163-V167 WeakPolarHBondContact O-CG2 3.46Å; W163-V167 PolarHBondContact O-N 2.75Å; H164-V167 PolarHBondContact O-N 3.4Å; V167-A170 PolarHBondContact O-N 3.13Å; V167-I171 HydrophobicContact CG1-CD1 3.86Å; V167-I171 VanDerWaalsContact O-CG1 3.31Å; V167-I171 WeakPolarHBondContact O-CG1 3.39Å; V167-I171 PolarHBondContact O-N 2.96Å
168	F	98.4	Very high	97.7	Very high	119 Å²	119	43.9 Å²	43.9	52%	0.522	23%	0.225	S	C	.	.	H	α-helix	trans	-61.8	-47	178.4	176.1	-95.4	0	0	0	112.4	F28 H164 C165 C166 A170 I171 F172	F28-F168 HydrophobicContact CE1-CD2 4.34Å; F28-F168 HydrophobicContact CZ-CB 4.39Å; F28-F168 AromaticContact CZ-CD2 3.87Å; F28-F168 HydrophobicContact CZ-CD2 3.87Å; H164-F168 WeakPolarHBondContact O-CB 3.3Å; H164-F168 PolarHBondContact O-N 3.35Å; C165-F168 PolarHBondContact O-N 3.19Å; C166-F168 PolarHBondContact O-N 2.97Å; F168-A170 VanDerWaalsContact C-N 3.32Å; F168-A170 PolarHBondContact O-N 3.26Å; F168-I171 PolarHBondContact O-N 3.26Å; F168-F172 WeakPolarHBondContact O-CB 3.38Å; F168-F172 PolarHBondContact O-N 3.03Å
169	I	98.7	Very high	97.9	Very high	65 Å²	65	37.8 Å²	37.8	33%	0.333	19%	0.193	S	C	.	.	H	α-helix	trans	-61.7	-43.1	177.7	-66.8	165.3	0	0	0	110.5	F142 C165 C166 F172 L173	F142-I169 HydrophobicContact CD1-CB 4.21Å; F142-I169 HydrophobicContact CD1-CG2 3.86Å; F142-I169 HydrophobicContact CD2-CG2 3.89Å; F142-I169 HydrophobicContact CE1-CB 4.4Å; F142-I169 HydrophobicContact CE1-CD1 4.15Å; F142-I169 HydrophobicContact CE1-CG2 3.78Å; F142-I169 HydrophobicContact CE2-CG2 3.82Å; F142-I169 HydrophobicContact CG-CB 4.47Å; F142-I169 HydrophobicContact CG-CG2 3.92Å; F142-I169 HydrophobicContact CZ-CG2 3.77Å; C165-I169 VanDerWaalsContact O-CG1 3.3Å; C165-I169 WeakPolarHBondContact O-CG1 3.25Å; C165-I169 PolarHBondContact O-N 2.8Å; C166-I169 PolarHBondContact O-N 3.12Å; I169-F172 PolarHBondContact O-N 2.94Å; I169-L173 HydrophobicContact CG2-CD1 4.09Å; I169-L173 HydrophobicContact CG2-CG 4.46Å; I169-L173 WeakPolarHBondContact O-CG 3.48Å; I169-L173 PolarHBondContact O-N 3.47Å
170	A	98.7	Very high	97.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-58.7	-51.3	176.8	0	0	0	0	0	111.6	G139 F142 Y143 C166 V167 F168 F172 L173 Q174	G139-A170 WeakPolarHBondContact O-CB 3.45Å; F142-A170 HydrophobicContact CB-CB 3.87Å; Y143-A170 HydrophobicContact CD1-CB 3.72Å; Y143-A170 HydrophobicContact CD2-CB 3.87Å; Y143-A170 HydrophobicContact CE1-CB 3.5Å; Y143-A170 VanDerWaalsContact CE1-CB 3.5Å; Y143-A170 HydrophobicContact CE2-CB 3.65Å; Y143-A170 HydrophobicContact CG-CB 3.89Å; Y143-A170 VanDerWaalsContact CZ-CB 3.45Å; C166-A170 WeakPolarHBondContact O-CB 3.33Å; C166-A170 PolarHBondContact O-N 3.25Å; V167-A170 PolarHBondContact O-N 3.13Å; F168-A170 VanDerWaalsContact C-N 3.32Å; F168-A170 PolarHBondContact O-N 3.26Å; A170-F172 VanDerWaalsContact C-N 3.29Å; A170-F172 PolarHBondContact O-N 3.49Å; A170-L173 PolarHBondContact O-N 2.98Å; A170-Q174 VanDerWaalsContact O-CG 3.3Å; A170-Q174 WeakPolarHBondContact O-CG 2.98Å; A170-Q174 PolarHBondContact O-N 3.1Å
171	I	98.5	Very high	97.9	Very high	7 Å²	7	42.7 Å²	42.7	4%	0.036	22%	0.22	C	C	.	.	H	α-helix	trans	-60.4	-41.5	177.4	-66.6	173.1	0	0	0	110.8	I24 L27 F28 F61 Y143 V167 F168 Q174 F175	I24-I171 HydrophobicContact CD1-CG2 4.03Å; I24-I171 HydrophobicContact CG1-CG2 4.04Å; I24-I171 HydrophobicContact CG2-CG2 4.1Å; L27-I171 HydrophobicContact CD2-CD1 3.43Å; L27-I171 VanDerWaalsContact CD2-CD1 3.43Å; F28-I171 HydrophobicContact CE2-CD1 3.69Å; F28-I171 HydrophobicContact CE2-CG2 4.27Å; F28-I171 HydrophobicContact CZ-CD1 3.61Å; F61-I171 HydrophobicContact CE1-CD1 4.35Å; F61-I171 HydrophobicContact CE1-CG1 4.33Å; F61-I171 HydrophobicContact CE2-CD1 4.46Å; F61-I171 HydrophobicContact CZ-CD1 3.95Å; F61-I171 HydrophobicContact CZ-CG1 3.78Å; Y143-I171 WeakPolarHBondContact OH-CG1 3.49Å; V167-I171 HydrophobicContact CG1-CD1 3.86Å; V167-I171 VanDerWaalsContact O-CG1 3.31Å; V167-I171 WeakPolarHBondContact O-CG1 3.39Å; V167-I171 PolarHBondContact O-N 2.96Å; F168-I171 PolarHBondContact O-N 3.26Å; I171-Q174 PolarHBondContact O-N 2.87Å; I171-F175 WeakPolarHBondContact O-CB 3.48Å; I171-F175 PolarHBondContact O-N 3.37Å
172	F	98.5	Very high	98	Very high	116 Å²	116	41 Å²	41	51%	0.509	21%	0.205	S	C	.	.	H	α-helix	trans	-60.4	-47.9	178.2	179	-100.7	0	0	0	111.6	F168 I169 A170 F175 N176	F168-F172 WeakPolarHBondContact O-CB 3.38Å; F168-F172 PolarHBondContact O-N 3.03Å; I169-F172 PolarHBondContact O-N 2.94Å; A170-F172 VanDerWaalsContact C-N 3.29Å; A170-F172 PolarHBondContact O-N 3.49Å; F172-F175 PolarHBondContact O-N 3.26Å; F172-N176 WeakPolarHBondContact CE1-ND2 3.29Å; F172-N176 WeakPolarHBondContact CE2-ND2 3.41Å; F172-N176 VanDerWaalsContact CZ-ND2 3.29Å; F172-N176 WeakPolarHBondContact CZ-ND2 3.39Å; F172-N176 PolarHBondContact O-N 3.29Å; F172-N176 PolarHBondContact O-ND2 3.25Å
173	L	98.7	Very high	97.8	Very high	33 Å²	33	38 Å²	38	17%	0.173	19%	0.189	C	C	.	.	H	α-helix	trans	-61.9	-47.5	177.2	-69.8	171.4	0	0	0	111.7	L135 T138 F142 I169 A170 F175 N176 A177	L135-L173 HydrophobicContact CD1-CD2 4.42Å; L135-L173 WeakPolarHBondContact CD2-O 3.4Å; L135-L173 HydrophobicContact CG-CD2 4.37Å; T138-L173 HydrophobicContact CG2-CD1 3.74Å; F142-L173 HydrophobicContact CD2-CD1 3.78Å; F142-L173 HydrophobicContact CE2-CD1 3.9Å; I169-L173 HydrophobicContact CG2-CD1 4.09Å; I169-L173 HydrophobicContact CG2-CG 4.46Å; I169-L173 WeakPolarHBondContact O-CG 3.48Å; I169-L173 PolarHBondContact O-N 3.47Å; A170-L173 PolarHBondContact O-N 2.98Å; L173-F175 PolarHBondContact O-N 2.98Å; L173-N176 PolarHBondContact O-N 3.09Å; L173-A177 PolarHBondContact O-N 3.31Å
174	Q	98.3	Very high	97.3	Very high	12 Å²	12	38.8 Å²	38.8	6%	0.056	20%	0.199	C	C	.	.	H	α-helix	trans	-67.8	-35.3	-179.7	-64.2	-172.1	-23.1	0	0	112.3	L136 A170 I171 A177 V178	L136-Q174 HydrophobicContact CD1-CB 4.24Å; L136-Q174 HydrophobicContact CD1-CG 3.75Å; L136-Q174 PolarHBondContact O-NE2 2.67Å; A170-Q174 VanDerWaalsContact O-CG 3.3Å; A170-Q174 WeakPolarHBondContact O-CG 2.98Å; A170-Q174 PolarHBondContact O-N 3.1Å; I171-Q174 PolarHBondContact O-N 2.87Å; Q174-A177 WeakPolarHBondContact O-CB 3.36Å; Q174-A177 PolarHBondContact O-N 3.17Å; Q174-V178 WeakPolarHBondContact O-CG2 3.33Å; Q174-V178 PolarHBondContact O-N 3.01Å
175	F	98.2	Very high	95.9	Very high	40 Å²	40	44.1 Å²	44.1	18%	0.175	23%	0.229	C	C	.	.	H	α-helix	trans	-61.5	-46.3	172.1	178.8	-88.6	0	0	0	111.5	K3 L4 Y20 I24 I171 F172 L173 A177 V178 D179	K3-F175 HydrophobicContact CD-CE1 4.4Å; K3-F175 HydrophobicContact CD-CZ 4.45Å; L4-F175 HydrophobicContact CD1-CD2 4.23Å; L4-F175 HydrophobicContact CD1-CE2 3.64Å; L4-F175 HydrophobicContact CD1-CZ 4.4Å; L4-F175 HydrophobicContact CD2-CE2 4.01Å; L4-F175 HydrophobicContact CD2-CZ 3.98Å; L4-F175 HydrophobicContact CG-CE2 3.7Å; L4-F175 HydrophobicContact CG-CZ 3.96Å; Y20-F175 HydrophobicContact CE1-CD2 4.24Å; Y20-F175 PolarHBondContact OH-N 2.66Å; I24-F175 HydrophobicContact CD1-CD2 3.88Å; I171-F175 WeakPolarHBondContact O-CB 3.48Å; I171-F175 PolarHBondContact O-N 3.37Å; F172-F175 PolarHBondContact O-N 3.26Å; L173-F175 PolarHBondContact O-N 2.98Å; F175-A177 PolarHBondContact O-N 3.14Å; F175-V178 PolarHBondContact O-N 3.14Å; F175-D179 HydrophobicContact CE1-CB 4.26Å; F175-D179 VanDerWaalsContact O-CB 3.28Å; F175-D179 WeakPolarHBondContact O-CB 3.27Å; F175-D179 PolarHBondContact O-N 3.12Å
176	N	97.9	Very high	95.8	Very high	41 Å²	41	42.5 Å²	42.5	22%	0.219	22%	0.215	C	C	.	.	H	α-helix	trans	-62.9	-33.9	175.7	-77.8	-72.5	0	0	0	111.8	L135 F172 L173 T180	L135-N176 HydrophobicContact CD2-CB 3.84Å; F172-N176 WeakPolarHBondContact CE1-ND2 3.29Å; F172-N176 WeakPolarHBondContact CE2-ND2 3.41Å; F172-N176 VanDerWaalsContact CZ-ND2 3.29Å; F172-N176 WeakPolarHBondContact CZ-ND2 3.39Å; F172-N176 PolarHBondContact O-N 3.29Å; F172-N176 PolarHBondContact O-ND2 3.25Å; L173-N176 PolarHBondContact O-N 3.09Å; N176-T180 WeakPolarHBondContact O-CB 3.36Å; N176-T180 PolarHBondContact O-N 3.22Å; N176-T180 PolarHBondContact O-OG1 3.2Å
177	A	98.2	Very high	95.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.7	-49.6	175.2	0	0	0	0	0	111	W69 L135 L173 Q174 F175 T180 F181	W69-A177 HydrophobicContact CH2-CB 4.14Å; W69-A177 HydrophobicContact CZ2-CB 3.71Å; L135-A177 HydrophobicContact CB-CB 3.98Å; L135-A177 HydrophobicContact CD2-CB 4.15Å; L173-A177 PolarHBondContact O-N 3.31Å; Q174-A177 WeakPolarHBondContact O-CB 3.36Å; Q174-A177 PolarHBondContact O-N 3.17Å; F175-A177 PolarHBondContact O-N 3.14Å; A177-T180 PolarHBondContact O-N 3.36Å; A177-F181 WeakPolarHBondContact O-CB 3.27Å; A177-F181 WeakPolarHBondContact O-CD2 3.4Å; A177-F181 PolarHBondContact O-N 2.94Å
178	V	98.1	Very high	95.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.3	-45.7	177.5	174.9	0	0	0	0	111.4	L4 Y20 P68 Q174 F175 T180 L182 I183	L4-V178 HydrophobicContact CD1-CG1 4.42Å; L4-V178 HydrophobicContact CD2-CG1 4.47Å; Y20-V178 HydrophobicContact CD1-CB 4.36Å; Y20-V178 HydrophobicContact CD1-CG1 4.07Å; Y20-V178 HydrophobicContact CD1-CG2 4.19Å; Y20-V178 HydrophobicContact CE1-CB 3.98Å; Y20-V178 HydrophobicContact CE1-CG1 4.21Å; Y20-V178 HydrophobicContact CE1-CG2 3.71Å; P68-V178 HydrophobicContact CB-CG1 3.8Å; P68-V178 HydrophobicContact CB-CG2 4.08Å; P68-V178 HydrophobicContact CG-CG1 3.99Å; P68-V178 HydrophobicContact CG-CG2 4.18Å; Q174-V178 WeakPolarHBondContact O-CG2 3.33Å; Q174-V178 PolarHBondContact O-N 3.01Å; F175-V178 PolarHBondContact O-N 3.14Å; V178-T180 VanDerWaalsContact C-N 3.3Å; V178-T180 PolarHBondContact O-N 3.29Å; V178-L182 HydrophobicContact CB-CD1 4.43Å; V178-L182 HydrophobicContact CG1-CD1 4.42Å; V178-L182 HydrophobicContact CG2-CD1 4.1Å; V178-L182 WeakPolarHBondContact O-CB 3.25Å; V178-L182 PolarHBondContact O-N 3.3Å; V178-I183 HydrophobicContact CG1-CD1 3.87Å; V178-I183 HydrophobicContact CG1-CG1 4.09Å; V178-I183 PolarHBondContact O-N 3.16Å
179	D	97.2	Very high	95.3	Very high	7 Å²	7	41.6 Å²	41.6	4%	0.037	21%	0.214	C	C	.	.	H	α-helix	trans	-65.6	-29.3	-178.2	-177.3	64.5	0	0	0	114	K3 L4 K7 F175	K3-D179 VanDerWaalsContact CE-CG 3.5Å; K3-D179 VanDerWaalsContact CE-OD1 3.26Å; K3-D179 WeakPolarHBondContact CE-OD1 3.42Å; K3-D179 WeakPolarHBondContact CE-OD2 3.31Å; K3-D179 IonicContact NZ-OD1 2.67Å; K3-D179 IonicContact NZ-OD2 3.07Å; K3-D179 PolarHBondContact NZ-OD2 2.62Å; L4-D179 HydrophobicContact CD2-CB 3.78Å; K7-D179 PolarHBondContact NZ-O 3.25Å; K7-D179 IonicContact NZ-OD1 3.75Å; K7-D179 PolarHBondContact NZ-OD1 2.79Å; K7-D179 IonicContact NZ-OD2 3.98Å; K7-D179 PolarHBondContact NZ-OD2 2.71Å; F175-D179 HydrophobicContact CE1-CB 4.26Å; F175-D179 VanDerWaalsContact O-CB 3.28Å; F175-D179 WeakPolarHBondContact O-CB 3.27Å; F175-D179 PolarHBondContact O-N 3.12Å
180	T	96.7	Very high	95.1	Very high	71 Å²	71	40.1 Å²	40.1	44%	0.436	21%	0.206	S	C	.	.	H	α-helix	trans	-100.4	-31.2	-173.3	-51.5	0	0	0	0	112.9	N176 A177 V178 T184	N176-T180 WeakPolarHBondContact O-CB 3.36Å; N176-T180 PolarHBondContact O-N 3.22Å; N176-T180 PolarHBondContact O-OG1 3.2Å; A177-T180 PolarHBondContact O-N 3.36Å; V178-T180 VanDerWaalsContact C-N 3.3Å; V178-T180 PolarHBondContact O-N 3.29Å; T180-T184 WeakPolarHBondContact O-CG2 3.45Å
181	F	97.2	Very high	94.9	Very high	77 Å²	77	42.8 Å²	42.8	34%	0.338	22%	0.22	S	C	.	.	H	α-helix	trans	-117	-16.4	-170.3	-62.9	-81.4	0	0	0	114.7	A177	A177-F181 WeakPolarHBondContact O-CB 3.27Å; A177-F181 WeakPolarHBondContact O-CD2 3.4Å; A177-F181 PolarHBondContact O-N 2.94Å
182	L	97.2	Very high	94.6	Very high	10 Å²	10	45.4 Å²	45.4	5%	0.052	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.1	-44.1	-176.1	-58.7	179.8	0	0	0	112.7	P68 W69 L72 R73 V178	P68-L182 HydrophobicContact CB-CD1 3.71Å; W69-L182 HydrophobicContact CD2-CD1 3.67Å; W69-L182 HydrophobicContact CE3-CD1 4.04Å; W69-L182 HydrophobicContact CE3-CD2 4.24Å; W69-L182 HydrophobicContact CG-CD1 3.93Å; W69-L182 HydrophobicContact CZ2-CD1 4.26Å; W69-L182 HydrophobicContact CZ3-CD1 4.47Å; W69-L182 HydrophobicContact CZ3-CD2 4.42Å; L72-L182 HydrophobicContact CD1-CB 3.99Å; R73-L182 HydrophobicContact CG-CD2 3.61Å; V178-L182 HydrophobicContact CB-CD1 4.43Å; V178-L182 HydrophobicContact CG1-CD1 4.42Å; V178-L182 HydrophobicContact CG2-CD1 4.1Å; V178-L182 WeakPolarHBondContact O-CB 3.25Å; V178-L182 PolarHBondContact O-N 3.3Å
183	I	94.3	Very high	94.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	-108	64.1	-179.7	-50.2	-177.4	0	0	0	108.2	L4 K7 K13 A17 L72 V178	L4-I183 HydrophobicContact CB-CD1 4.17Å; L4-I183 HydrophobicContact CD1-CD1 4.45Å; L4-I183 HydrophobicContact CD2-CD1 4.33Å; K7-I183 HydrophobicContact CB-CG2 3.85Å; K7-I183 VanDerWaalsContact CD-O 3.28Å; K7-I183 WeakPolarHBondContact CD-O 3.01Å; K13-I183 HydrophobicContact CB-CG2 4.48Å; K13-I183 HydrophobicContact CD-CG2 4.39Å; A17-I183 HydrophobicContact CB-CD1 3.93Å; L72-I183 HydrophobicContact CD1-CG1 3.85Å; V178-I183 HydrophobicContact CG1-CD1 3.87Å; V178-I183 HydrophobicContact CG1-CG1 4.09Å; V178-I183 PolarHBondContact O-N 3.16Å
184	T	86.8	Confident	93.9	Very high	61 Å²	61	40.5 Å²	40.5	37%	0.374	22%	0.215	S	C	.	.			trans	-90.4	150.5	171.5	60	0	0	0	0	110.2	K13 T180	K13-T184 PolarHBondContact NZ-O 2.81Å; T180-T184 WeakPolarHBondContact O-CG2 3.45Å
185	N	67.2	Low	93.5	Very high	167 Å²	167	43.1 Å²	43.1	89%	0.893	23%	0.23	S	C	*	.			trans	-67.8	0	167	-66	-17.8	0	0	0	111.3	K7	K7-N185 WeakPolarHBondContact CA-OD1 3.12Å; K7-N185 WeakPolarHBondContact CB-OD1 3.38Å; K7-N185 WeakPolarHBondContact CG-OD1 3.35Å

Retrieved 185 of 185 residues in 148.1 ms (Link to these results)

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