A0A087WP53_MOUSE Loading...

Thyroid stimulating hormone receptor

AlphaFold DB , UniProt , Accession A0A087WP53, Species MOUSE (Mus musculus, Mouse), Gene Tshr, Length 127 aa.

						>A0A087WP53_MOUSE|A0A087WP53|Tshr
AFVVVCSCYVKIYITVRNPQYNPRDKDTKIAKRMAVLIFTDFMCMAPISFYALSALMNKPLITVTNSKILLVLFYPLNSCANPFLYAIFTKAFQRDVFILLSKFGICKRQAQAYQDSESIITRLCLP
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	A	50.6	Low	47.9	Very low	104 Å²	104	83.5 Å²	83.5	86%	0.86	48%	0.482	S	S	*	.				0	-21.8	0	0	0	0	0	0	110.5	V3 V5	A1-V3 VanDerWaalsContact C-N 3.35Å; A1-V3 PolarHBondContact O-N 3.45Å; A1-V5 WeakPolarHBondContact O-CG2 3.32Å
2	F	42.9	Very low	48.1	Very low	178 Å²	178	77 Å²	77	78%	0.781	44%	0.444	S	S	*	.	H	α-helix	trans	-81.1	-15.6	164.8	-149.7	-98.7	0	0	0	110.8	C6	F2-C6 PolarHBondContact O-N 3.21Å
3	V	44.1	Very low	48.2	Very low	109 Å²	109	75.3 Å²	75.3	66%	0.661	43%	0.427	S	S	*	.	H	α-helix	trans	-101.1	-16.9	-177.7	175.1	0	0	0	0	109.1	A1 C6 S7	A1-V3 VanDerWaalsContact C-N 3.35Å; A1-V3 PolarHBondContact O-N 3.45Å; V3-C6 PolarHBondContact O-N 2.91Å; V3-S7 VanDerWaalsContact O-CB 3.32Å; V3-S7 WeakPolarHBondContact O-CB 3.44Å; V3-S7 PolarHBondContact O-N 2.66Å; V3-S7 VanDerWaalsContact O-N 3.13Å; V3-S7 PolarHBondContact O-OG 3.28Å
4	V	50.2	Low	48.1	Very low	41 Å²	41	75.2 Å²	75.2	25%	0.248	42%	0.423	C	S	.	.	H	α-helix	trans	-89.6	-29.5	174.7	172	0	0	0	0	109.3	C6 S7 C8 F39	V4-C6 PolarHBondContact O-N 3.4Å; V4-S7 WeakPolarHBondContact CA-OG 3.21Å; V4-C8 WeakPolarHBondContact O-CB 2.97Å; V4-C8 PolarHBondContact O-N 3.3Å; V4-F39 HydrophobicContact CG1-CD2 3.69Å; V4-F39 HydrophobicContact CG1-CE2 3.59Å
5	V	47.2	Very low	48.3	Very low	80 Å²	80	74.1 Å²	74.1	49%	0.485	42%	0.419	S	S	.	.	H	α-helix	trans	-78.3	-18.8	172.1	173.5	0	0	0	0	109.7	A1 Y9	A1-V5 WeakPolarHBondContact O-CG2 3.32Å; V5-Y9 VanDerWaalsContact O-CB 3.24Å; V5-Y9 WeakPolarHBondContact O-CB 3.06Å
6	C	48.4	Very low	48.1	Very low	61 Å²	61	74.4 Å²	74.4	41%	0.412	42%	0.423	S	S	.	.	H	α-helix	trans	-95.7	-29.4	176.1	-89.2	0	0	0	0	110.6	F2 V3 V4 V10	F2-C6 PolarHBondContact O-N 3.21Å; V3-C6 PolarHBondContact O-N 2.91Å; V4-C6 PolarHBondContact O-N 3.4Å; C6-V10 WeakPolarHBondContact O-CG2 2.75Å; C6-V10 PolarHBondContact O-N 3.39Å
7	S	48.4	Very low	48	Very low	63 Å²	63	74.4 Å²	74.4	44%	0.441	42%	0.415	S	S	.	.	H	α-helix	trans	-82.4	-25.3	179.2	-10.9	0	0	0	0	110.1	V3 V4 Y9 K11	V3-S7 VanDerWaalsContact O-CB 3.32Å; V3-S7 WeakPolarHBondContact O-CB 3.44Å; V3-S7 PolarHBondContact O-N 2.66Å; V3-S7 VanDerWaalsContact O-N 3.13Å; V3-S7 PolarHBondContact O-OG 3.28Å; V4-S7 WeakPolarHBondContact CA-OG 3.21Å; S7-Y9 VanDerWaalsContact C-N 3.32Å; S7-Y9 PolarHBondContact O-N 3.18Å; S7-K11 WeakPolarHBondContact O-CG 2.68Å; S7-K11 PolarHBondContact O-N 2.76Å
8	C	49.8	Very low	47.9	Very low	33 Å²	33	74.6 Å²	74.6	22%	0.223	42%	0.415	C	S	.	.	H	α-helix	trans	-84.5	-19.7	172.3	-144	0	0	0	0	110.9	V4 I12 L101	V4-C8 WeakPolarHBondContact O-CB 2.97Å; V4-C8 PolarHBondContact O-N 3.3Å; C8-I12 WeakPolarHBondContact O-CD1 3.49Å; C8-I12 WeakPolarHBondContact O-CG1 3.43Å; C8-L101 CovalentContact C-CD2 1.62Å; C8-L101 HydrophobicContact CB-CD1 3.94Å; C8-L101 HydrophobicContact CB-CD2 2.61Å; C8-L101 HydrophobicContact CB-CG 3.67Å; C8-L101 WeakPolarHBondContact O-CB 2.86Å; C8-L101 WeakPolarHBondContact O-CD1 2.09Å; C8-L101 CovalentContact O-CD2 1.5Å; C8-L101 WeakPolarHBondContact O-CD2 3.24Å; C8-L101 WeakPolarHBondContact O-CG 3.36Å; C8-L101 WeakPolarHBondContact SG-CD1 3.34Å; C8-L101 WeakPolarHBondContact SG-CD2 3.33Å; C8-L101 WeakPolarHBondContact SG-CG 3.14Å
9	Y	44.8	Very low	47.9	Very low	22 Å²	22	77.3 Å²	77.3	9%	0.086	44%	0.436	C	S	.	.	H	α-helix	trans	-92.2	-17.9	179.6	-147.9	-95.3	0	0	0	110.5	V5 S7 Y13 L100 K103 F104 I106	V5-Y9 VanDerWaalsContact O-CB 3.24Å; V5-Y9 WeakPolarHBondContact O-CB 3.06Å; S7-Y9 VanDerWaalsContact C-N 3.32Å; S7-Y9 PolarHBondContact O-N 3.18Å; Y9-Y13 VanDerWaalsContact O-CB 3.31Å; Y9-Y13 WeakPolarHBondContact O-CB 2.89Å; Y9-Y13 PolarHBondContact O-N 2.83Å; Y9-L100 WeakPolarHBondContact CD2-O 2.64Å; Y9-L100 WeakPolarHBondContact CE2-O 2.72Å; Y9-K103 WeakPolarHBondContact CE1-O 3.29Å; Y9-K103 HydrophobicContact CE2-CB 4.25Å; Y9-K103 CovalentContact OH-C 1.48Å; Y9-K103 WeakPolarHBondContact OH-CA 2.57Å; Y9-K103 WeakPolarHBondContact OH-CB 2.17Å; Y9-K103 PolarHBondContact OH-N 2.41Å; Y9-K103 PolarHBondContact OH-O 3.09Å; Y9-F104 CovalentContact CD1-C 1.34Å; Y9-F104 CovalentContact CD1-CA 1.3Å; Y9-F104 CovalentContact CD1-CB 1.28Å; Y9-F104 HydrophobicContact CD1-CB 1.28Å; Y9-F104 AromaticContact CD1-CD1 3.16Å; Y9-F104 HydrophobicContact CD1-CD1 3.16Å; Y9-F104 AromaticContact CD1-CD2 3.75Å; Y9-F104 HydrophobicContact CD1-CD2 3.75Å; Y9-F104 AromaticContact CD1-CG 2.58Å; Y9-F104 HydrophobicContact CD1-CG 2.58Å; Y9-F104 WeakPolarHBondContact CD1-O 3.22Å; Y9-F104 CovalentContact CD2-CB 1.35Å; Y9-F104 HydrophobicContact CD2-CB 1.35Å; Y9-F104 AromaticContact CD2-CD1 3.19Å; Y9-F104 HydrophobicContact CD2-CD1 3.19Å; Y9-F104 AromaticContact CD2-CD2 2.58Å; Y9-F104 HydrophobicContact CD2-CD2 2.58Å; Y9-F104 HydrophobicContact CD2-CE1 4.29Å; Y9-F104 AromaticContact CD2-CE2 3.86Å; Y9-F104 HydrophobicContact CD2-CE2 3.86Å; Y9-F104 AromaticContact CD2-CG 2.06Å; Y9-F104 HydrophobicContact CD2-CG 2.06Å; Y9-F104 HydrophobicContact CE1-CB 1.62Å; Y9-F104 AromaticContact CE1-CD1 3.41Å; Y9-F104 HydrophobicContact CE1-CD1 3.41Å; Y9-F104 VanDerWaalsContact CE1-CD1 3.41Å; Y9-F104 AromaticContact CE1-CD2 3.36Å; Y9-F104 HydrophobicContact CE1-CD2 3.36Å; Y9-F104 AromaticContact CE1-CG 2.56Å; Y9-F104 HydrophobicContact CE1-CG 2.56Å; Y9-F104 CovalentContact CE1-N 1.48Å; Y9-F104 WeakPolarHBondContact CE1-O 2.3Å; Y9-F104 HydrophobicContact CE2-CB 1.64Å; Y9-F104 AromaticContact CE2-CD1 3.41Å; Y9-F104 HydrophobicContact CE2-CD1 3.41Å; Y9-F104 VanDerWaalsContact CE2-CD1 3.41Å; Y9-F104 AromaticContact CE2-CD2 1.92Å; Y9-F104 CovalentContact CE2-CD2 1.92Å; Y9-F104 HydrophobicContact CE2-CD2 1.92Å; Y9-F104 HydrophobicContact CE2-CE1 4.34Å; Y9-F104 AromaticContact CE2-CE2 3.31Å; Y9-F104 HydrophobicContact CE2-CE2 3.31Å; Y9-F104 AromaticContact CE2-CG 2Å; Y9-F104 HydrophobicContact CE2-CG 2Å; Y9-F104 HydrophobicContact CE2-CZ 4.3Å; Y9-F104 CovalentContact CG-CB 1.15Å; Y9-F104 HydrophobicContact CG-CB 1.15Å; Y9-F104 AromaticContact CG-CD1 3.08Å; Y9-F104 HydrophobicContact CG-CD1 3.08Å; Y9-F104 AromaticContact CG-CD2 3.45Å; Y9-F104 HydrophobicContact CG-CD2 3.45Å; Y9-F104 VanDerWaalsContact CG-CD2 3.45Å; Y9-F104 HydrophobicContact CG-CE1 4.42Å; Y9-F104 AromaticContact CG-CG 2.37Å; Y9-F104 HydrophobicContact CG-CG 2.37Å; Y9-F104 AromaticContact CZ-CD1 3.48Å; Y9-F104 VanDerWaalsContact CZ-CD1 3.48Å; Y9-F104 AromaticContact CZ-CD2 2.44Å; Y9-F104 AromaticContact CZ-CE2 3.73Å; Y9-F104 AromaticContact CZ-CG 2.25Å; Y9-F104 CovalentContact CZ-N 1.39Å; Y9-F104 CarbonylContact O-C 3.56Å; Y9-F104 WeakPolarHBondContact OH-CA 2.54Å; Y9-F104 WeakPolarHBondContact OH-CB 3.19Å; Y9-F104 WeakPolarHBondContact OH-CD2 2.92Å; Y9-F104 VanDerWaalsContact OH-CG 3.24Å; Y9-F104 WeakPolarHBondContact OH-CG 2.9Å; Y9-F104 PolarHBondContact OH-N 2.6Å; Y9-I106 WeakPolarHBondContact O-CG1 3.07Å
10	V	49.5	Very low	47.9	Very low	70 Å²	70	81.6 Å²	81.6	42%	0.424	45%	0.452	S	S	.	.	H	α-helix	trans	-96.5	-25.3	179.7	171.6	0	0	0	0	108.9	C6 Y13 I14 I106	C6-V10 WeakPolarHBondContact O-CG2 2.75Å; C6-V10 PolarHBondContact O-N 3.39Å; V10-Y13 PolarHBondContact O-N 3.01Å; V10-I14 HydrophobicContact CG1-CD1 4.05Å; V10-I14 WeakPolarHBondContact O-CG1 2.72Å; V10-I14 PolarHBondContact O-N 1.36Å; V10-I106 HydrophobicContact CB-CD1 3.82Å; V10-I106 HydrophobicContact CB-CG1 3.75Å; V10-I106 HydrophobicContact CG1-CD1 3.9Å; V10-I106 HydrophobicContact CG1-CG1 3.93Å; V10-I106 VanDerWaalsContact N-CG1 3.3Å; V10-I106 WeakPolarHBondContact O-CB 1.54Å; V10-I106 CovalentContact O-CD1 0.81Å; V10-I106 WeakPolarHBondContact O-CD1 3.3Å; V10-I106 WeakPolarHBondContact O-CG1 2.78Å; V10-I106 WeakPolarHBondContact O-CG2 0.96Å
11	K	51.2	Low	48	Very low	158 Å²	158	82.4 Å²	82.4	69%	0.687	45%	0.449	S	S	*	.	H	α-helix	trans	-77.3	-34.9	176.1	-81.2	-78.2	-175	161.5	0	110.8	S7 Y13 T15 I106	S7-K11 WeakPolarHBondContact O-CG 2.68Å; S7-K11 PolarHBondContact O-N 2.76Å; K11-Y13 VanDerWaalsContact C-N 3.25Å; K11-T15 PolarHBondContact O-N 3.37Å; K11-T15 PolarHBondContact O-OG1 3.03Å; K11-T15 VanDerWaalsContact O-OG1 3.06Å; K11-I106 HydrophobicContact CB-CD1 3.68Å; K11-I106 CovalentContact N-CD1 1.81Å; K11-I106 WeakPolarHBondContact O-CD1 2.3Å
12	I	50.1	Low	48	Very low	5 Å²	5	83.9 Å²	83.9	3%	0.026	44%	0.443	C	S	.	.	H	α-helix	trans	-72.3	-26.2	169	-69.2	173.2	0	0	0	110.1	C8 V97 F98 L101 I106	C8-I12 WeakPolarHBondContact O-CD1 3.49Å; C8-I12 WeakPolarHBondContact O-CG1 3.43Å; I12-V97 WeakPolarHBondContact CD1-O 0.81Å; I12-F98 WeakPolarHBondContact CD1-O 2.94Å; I12-F98 HydrophobicContact CG1-CD2 4.22Å; I12-F98 VanDerWaalsContact CG2-O 3.23Å; I12-F98 WeakPolarHBondContact CG2-O 3.26Å; I12-L101 HydrophobicContact CB-CB 2.67Å; I12-L101 HydrophobicContact CB-CD1 4.35Å; I12-L101 HydrophobicContact CB-CD2 4.31Å; I12-L101 HydrophobicContact CB-CG 3.93Å; I12-L101 WeakPolarHBondContact CB-O 3.12Å; I12-L101 CovalentContact CD1-CB 0.91Å; I12-L101 HydrophobicContact CD1-CB 0.91Å; I12-L101 HydrophobicContact CD1-CD1 2.29Å; I12-L101 HydrophobicContact CD1-CD2 3.07Å; I12-L101 HydrophobicContact CD1-CG 1.88Å; I12-L101 VanDerWaalsContact CG1-C 3.47Å; I12-L101 HydrophobicContact CG1-CB 2.06Å; I12-L101 HydrophobicContact CG1-CD1 2.97Å; I12-L101 HydrophobicContact CG1-CD2 3.69Å; I12-L101 HydrophobicContact CG1-CG 2.97Å; I12-L101 VanDerWaalsContact CG2-CA 3.49Å; I12-L101 HydrophobicContact CG2-CB 3.29Å; I12-L101 WeakPolarHBondContact CG2-O 3.06Å; I12-I106 VanDerWaalsContact C-CB 3.43Å; I12-I106 VanDerWaalsContact C-CG1 3.42Å
13	Y	49.1	Very low	48.4	Very low	55 Å²	55	78.3 Å²	78.3	22%	0.216	42%	0.424	C	S	.	.	H	α-helix	trans	-85.5	-21	178.6	-174.7	-96.8	0	0	0	111.9	Y9 V10 K11 G105 I106 C107 K108	Y9-Y13 VanDerWaalsContact O-CB 3.31Å; Y9-Y13 WeakPolarHBondContact O-CB 2.89Å; Y9-Y13 PolarHBondContact O-N 2.83Å; V10-Y13 PolarHBondContact O-N 3.01Å; K11-Y13 VanDerWaalsContact C-N 3.25Å; Y13-G105 VanDerWaalsContact CB-CA 3.48Å; Y13-G105 WeakPolarHBondContact CB-O 3.24Å; Y13-G105 WeakPolarHBondContact CD1-O 2.4Å; Y13-G105 VanDerWaalsContact CD2-O 3.27Å; Y13-G105 WeakPolarHBondContact CD2-O 3.23Å; Y13-G105 VanDerWaalsContact CE1-C 3.47Å; Y13-G105 VanDerWaalsContact CE1-O 3.29Å; Y13-G105 WeakPolarHBondContact CE1-O 2.74Å; Y13-G105 VanDerWaalsContact CE2-CA 3.4Å; Y13-I106 CovalentContact C-CB 1.67Å; Y13-I106 CarbonylContact C-O 3.53Å; Y13-I106 CovalentContact CA-CB 1.77Å; Y13-I106 WeakPolarHBondContact CA-O 1.45Å; Y13-I106 CovalentContact CB-CA 1.46Å; Y13-I106 CovalentContact CB-N 1.09Å; Y13-I106 WeakPolarHBondContact CB-O 3.11Å; Y13-I106 CovalentContact CD1-C 1.07Å; Y13-I106 HydrophobicContact CD1-CB 2.87Å; Y13-I106 HydrophobicContact CD1-CG1 3.92Å; Y13-I106 HydrophobicContact CD1-CG2 3.45Å; Y13-I106 VanDerWaalsContact CD1-CG2 3.45Å; Y13-I106 WeakPolarHBondContact CD1-O 2.87Å; Y13-I106 HydrophobicContact CD2-CB 3.88Å; Y13-I106 WeakPolarHBondContact CD2-O 3.21Å; Y13-I106 HydrophobicContact CE1-CB 4.24Å; Y13-I106 WeakPolarHBondContact CE1-O 3.12Å; Y13-I106 WeakPolarHBondContact CE2-O 2.57Å; Y13-I106 CovalentContact CG-CA 1.35Å; Y13-I106 HydrophobicContact CG-CB 2.6Å; Y13-I106 HydrophobicContact CG-CG1 3.46Å; Y13-I106 VanDerWaalsContact CG-CG1 3.46Å; Y13-I106 HydrophobicContact CG-CG2 3.72Å; Y13-I106 CovalentContact CG-N 0.98Å; Y13-I106 CarbonylContact O-C 2.45Å; Y13-I106 WeakPolarHBondContact O-CA 2.53Å; Y13-I106 WeakPolarHBondContact O-CB 3.37Å; Y13-I106 WeakPolarHBondContact O-CG2 3.31Å; Y13-I106 CovalentContact O-O 1.76Å; Y13-C107 VanDerWaalsContact CD1-C 3.42Å; Y13-C107 HydrophobicContact CD1-CB 3.49Å; Y13-C107 VanDerWaalsContact CD1-CB 3.49Å; Y13-C107 CovalentContact CD1-N 1.12Å; Y13-C107 HydrophobicContact CD2-CB 3.92Å; Y13-C107 HydrophobicContact CE1-CB 2.73Å; Y13-C107 CovalentContact CE1-N 0.71Å; Y13-C107 WeakPolarHBondContact CE1-O 2.89Å; Y13-C107 HydrophobicContact CE2-CB 3.25Å; Y13-C107 HydrophobicContact CG-CB 4.03Å; Y13-C107 WeakPolarHBondContact OH-CA 3.44Å; Y13-C107 WeakPolarHBondContact OH-CB 3.06Å; Y13-C107 PolarHBondContact OH-N 3.25Å; Y13-C107 CovalentContact OH-O 1.37Å; Y13-C107 PolarHBondContact OH-O 3.05Å; Y13-K108 PolarHBondContact OH-N 3.28Å; Y13-K108 VanDerWaalsContact OH-N 3.13Å
14	I	47.6	Very low	48.8	Very low	74 Å²	74	82.1 Å²	82.1	38%	0.379	43%	0.426	S	S	.	.	H	α-helix	trans	-99.8	-20.1	-176.2	-69.4	-179.7	0	0	0	107.8	V10 N18 I106	V10-I14 HydrophobicContact CG1-CD1 4.05Å; V10-I14 WeakPolarHBondContact O-CG1 2.72Å; V10-I14 PolarHBondContact O-N 1.36Å; I14-N18 PolarHBondContact O-ND2 3.13Å; I14-I106 HydrophobicContact CB-CB 3.82Å; I14-I106 HydrophobicContact CB-CD1 3.89Å; I14-I106 HydrophobicContact CB-CG1 4.47Å; I14-I106 HydrophobicContact CB-CG2 2.39Å; I14-I106 HydrophobicContact CD1-CD1 4.28Å; I14-I106 HydrophobicContact CD1-CG2 3.4Å; I14-I106 VanDerWaalsContact CD1-CG2 3.4Å; I14-I106 HydrophobicContact CG1-CB 3.52Å; I14-I106 HydrophobicContact CG1-CD1 3.81Å; I14-I106 HydrophobicContact CG1-CG1 4.09Å; I14-I106 HydrophobicContact CG1-CG2 2.05Å; I14-I106 HydrophobicContact CG2-CG2 3.89Å; I14-I106 VanDerWaalsContact N-CA 3.33Å; I14-I106 VanDerWaalsContact N-CD1 3.33Å; I14-I106 VanDerWaalsContact N-CG1 3.25Å; I14-I106 CovalentContact N-CG2 1.55Å; I14-I106 PolarHBondContact N-O 2.68Å
15	T	50.7	Low	49	Very low	58 Å²	58	85.1 Å²	85.1	36%	0.356	44%	0.441	S	S	.	.	H	α-helix	trans	-88.6	-29.7	176	-64.2	0	0	0	0	110.1	K11	K11-T15 PolarHBondContact O-N 3.37Å; K11-T15 PolarHBondContact O-OG1 3.03Å; K11-T15 VanDerWaalsContact O-OG1 3.06Å
16	V	44.5	Very low	49.3	Very low	80 Å²	80	88.9 Å²	88.9	49%	0.485	45%	0.451	S	S	.	.	H	α-helix	trans	-80.8	-19.2	173.2	153.1	0	0	0	0	110.1	F98	V16-F98 HydrophobicContact CG2-CZ 4.07Å
17	R	47.3	Very low	49.6	Very low	74 Å²	74	90.3 Å²	90.3	28%	0.279	46%	0.455	S	S	.	.	H	α-helix	trans	-102.8	-3.7	178.2	-116.4	-128.7	-135	-151.6	5.4	110.3	P19 C107 Q110	R17-P19 WeakPolarHBondContact O-CD 2.43Å; R17-C107 WeakPolarHBondContact CA-SG 3.27Å; R17-C107 HydrophobicContact CB-CB 3.62Å; R17-C107 WeakPolarHBondContact CB-SG 2.89Å; R17-C107 CovalentContact CD-SG 1.54Å; R17-C107 WeakPolarHBondContact CD-SG 2.27Å; R17-C107 HydrophobicContact CG-CB 2.71Å; R17-C107 CovalentContact CG-SG 0.96Å; R17-C107 WeakPolarHBondContact CG-SG 3.43Å; R17-C107 VanDerWaalsContact CZ-C 3.4Å; R17-C107 VanDerWaalsContact CZ-CB 3.47Å; R17-C107 PolarHBondContact NE-O 3.42Å; R17-C107 CovalentContact NE-SG 1.89Å; R17-C107 PolarHBondContact NE-SG 3.44Å; R17-C107 PolarHBondContact NH2-O 2.53Å; R17-Q110 VanDerWaalsContact CA-CD 3.48Å; R17-Q110 HydrophobicContact CB-CB 4.1Å; R17-Q110 HydrophobicContact CB-CG 4Å; R17-Q110 VanDerWaalsContact CB-NE2 3.26Å; R17-Q110 HydrophobicContact CG-CB 4.19Å; R17-Q110 PolarHBondContact O-NE2 2.93Å; R17-Q110 CovalentContact O-OE1 1.36Å; R17-Q110 PolarHBondContact O-OE1 2.7Å
18	N	45.3	Very low	50	Low	78 Å²	78	89.2 Å²	89.2	42%	0.417	45%	0.445	S	S	.	.			trans	-82.7	88.5	167.4	-88.2	-81.5	0	0	0	109.9	I14 Q20 Q110	I14-N18 PolarHBondContact O-ND2 3.13Å; N18-Q20 PolarHBondContact O-N 1.37Å; N18-Q110 PolarHBondContact ND2-NE2 3.42Å
19	P	48.4	Very low	50.2	Low	125 Å²	125	91.6 Å²	91.6	81%	0.812	45%	0.452	S	S	*	.	S	Bend	trans	-61.8	0	177.1	12.5	-11.9	0	0	0	111.7	R17	R17-P19 WeakPolarHBondContact O-CD 2.43Å
20	Q	48.2	Very low	50.8	Low	163 Å²	163	94.9 Å²	94.9	76%	0.762	47%	0.47	S	S	*	.				0	23	0	-95.1	-74.3	-3.3	0	0	110	N18 N22	N18-Q20 PolarHBondContact O-N 1.37Å; Q20-N22 PolarHBondContact O-N 2.84Å
21	Y	49.7	Very low	51.3	Low	99 Å²	99	94.2 Å²	94.2	39%	0.388	47%	0.472	S	S	.	.			trans	-86.4	65	176.1	-178	-102.9	0	0	0	109.5	P23 T28	Y21-P23 VanDerWaalsContact C-N 3.33Å; Y21-T28 HydrophobicContact CE1-CG2 3.65Å; Y21-T28 WeakPolarHBondContact CE1-OG1 1.94Å; Y21-T28 WeakPolarHBondContact CE2-OG1 2.74Å; Y21-T28 WeakPolarHBondContact OH-CA 2.92Å; Y21-T28 WeakPolarHBondContact OH-CB 3.07Å; Y21-T28 WeakPolarHBondContact OH-CG2 1.85Å; Y21-T28 PolarHBondContact OH-N 3.32Å; Y21-T28 CovalentContact OH-OG1 0.86Å; Y21-T28 PolarHBondContact OH-OG1 1.89Å
22	N	51.2	Low	51.6	Low	136 Å²	136	89.6 Å²	89.6	73%	0.727	45%	0.452	S	S	*	.			trans	-50.1	92.4	159.1	-161.7	21	0	0	0	111.7	Q20 R24	Q20-N22 PolarHBondContact O-N 2.84Å; N22-R24 PolarHBondContact O-N 2.62Å
23	P	50.8	Low	52.1	Low	60 Å²	60	95 Å²	95	39%	0.39	47%	0.472	S	S	.	.			trans	-40	54.3	175	20.7	-1	0	0	0	112	Y21 D25	Y21-P23 VanDerWaalsContact C-N 3.33Å; P23-D25 PolarHBondContact O-N 3.49Å
24	R	51.6	Low	52.3	Low	189 Å²	189	98.5 Å²	98.5	71%	0.713	49%	0.492	S	S	*	.			trans	-53.6	52.2	163.2	-142.1	166.5	111.3	-179.6	-0.1	111.2	N22 K26 D27	N22-R24 PolarHBondContact O-N 2.62Å; R24-K26 WeakPolarHBondContact O-CA 2.86Å; R24-K26 PolarHBondContact O-N 2.86Å; R24-D27 PolarHBondContact O-N 3.5Å
25	D	54.9	Low	52.9	Low	104 Å²	104	97.9 Å²	97.9	56%	0.556	50%	0.498	S	S	*	.	H	α-helix	trans	13.1	-2.6	163.2	-114.4	-14.4	0	0	0	111.6	P23 K29	P23-D25 PolarHBondContact O-N 3.49Å; D25-K29 VanDerWaalsContact O-CD 3.32Å; D25-K29 WeakPolarHBondContact O-CD 2.59Å; D25-K29 VanDerWaalsContact O-CG 3.31Å; D25-K29 WeakPolarHBondContact O-CG 3.08Å
26	K	53.4	Low	53.4	Low	159 Å²	159	96.5 Å²	96.5	69%	0.691	49%	0.489	S	S	*	.	H	α-helix	trans	-109.8	-24.5	178.3	-70.1	-174	-176.8	-173.6	0	110.9	R24 I30	R24-K26 WeakPolarHBondContact O-CA 2.86Å; R24-K26 PolarHBondContact O-N 2.86Å; K26-I30 WeakPolarHBondContact O-CD1 2.69Å; K26-I30 WeakPolarHBondContact O-CG1 3.31Å; K26-I30 PolarHBondContact O-N 3.06Å
27	D	55.4	Low	54.3	Low	92 Å²	92	96.5 Å²	96.5	49%	0.492	49%	0.486	S	S	.	.	H	α-helix	trans	-88.3	-19	-175.9	-72.8	-35	0	0	0	110.9	R24 I30 A31	R24-D27 PolarHBondContact O-N 3.5Å; D27-I30 PolarHBondContact O-N 3.39Å; D27-A31 PolarHBondContact O-N 3.4Å
28	T	55.7	Low	55	Low	40 Å²	40	97.8 Å²	97.8	25%	0.245	50%	0.497	C	S	.	.	H	α-helix	trans	-87.6	-28.5	177.6	-53.7	0	0	0	0	110.4	Y21 I30 A31 K32	Y21-T28 HydrophobicContact CE1-CG2 3.65Å; Y21-T28 WeakPolarHBondContact CE1-OG1 1.94Å; Y21-T28 WeakPolarHBondContact CE2-OG1 2.74Å; Y21-T28 WeakPolarHBondContact OH-CA 2.92Å; Y21-T28 WeakPolarHBondContact OH-CB 3.07Å; Y21-T28 WeakPolarHBondContact OH-CG2 1.85Å; Y21-T28 PolarHBondContact OH-N 3.32Å; Y21-T28 CovalentContact OH-OG1 0.86Å; Y21-T28 PolarHBondContact OH-OG1 1.89Å; T28-I30 PolarHBondContact O-N 3.46Å; T28-A31 PolarHBondContact O-N 3.46Å; T28-K32 WeakPolarHBondContact O-CB 3.15Å; T28-K32 PolarHBondContact O-N 3.37Å
29	K	54.9	Low	55.8	Low	83 Å²	83	97.6 Å²	97.6	36%	0.361	49%	0.493	S	S	.	.	H	α-helix	trans	-73.7	-22.9	176.3	-83.3	-178.7	-175.4	-178.3	0	111.3	D25 R33 K91	D25-K29 VanDerWaalsContact O-CD 3.32Å; D25-K29 WeakPolarHBondContact O-CD 2.59Å; D25-K29 VanDerWaalsContact O-CG 3.31Å; D25-K29 WeakPolarHBondContact O-CG 3.08Å; K29-R33 WeakPolarHBondContact O-CB 3.32Å; K29-R33 WeakPolarHBondContact O-CG 2.49Å; K29-R33 PolarHBondContact O-N 3.2Å; K29-K91 VanDerWaalsContact NZ-NZ 3.12Å
30	I	58.5	Low	56.2	Low	91 Å²	91	93.6 Å²	93.6	47%	0.467	47%	0.466	S	S	.	.	H	α-helix	trans	-86.6	-32.2	178.9	-68.6	158.2	0	0	0	109.4	K26 D27 T28 K32 R33 M34	K26-I30 WeakPolarHBondContact O-CD1 2.69Å; K26-I30 WeakPolarHBondContact O-CG1 3.31Å; K26-I30 PolarHBondContact O-N 3.06Å; D27-I30 PolarHBondContact O-N 3.39Å; T28-I30 PolarHBondContact O-N 3.46Å; I30-K32 PolarHBondContact O-N 3.32Å; I30-R33 PolarHBondContact O-N 3.2Å; I30-M34 PolarHBondContact O-N 3.25Å; I30-M34 VanDerWaalsContact O-N 3.07Å
31	A	59.3	Low	57	Low	55 Å²	55	90.3 Å²	90.3	46%	0.455	45%	0.454	S	S	.	.	H	α-helix	trans	-76.6	-25.3	178.8	0	0	0	0	0	110.8	D27 T28 R33 M34 A35	D27-A31 PolarHBondContact O-N 3.4Å; T28-A31 PolarHBondContact O-N 3.46Å; A31-R33 PolarHBondContact O-N 3Å; A31-M34 PolarHBondContact O-N 3.22Å; A31-A35 PolarHBondContact O-N 3.42Å
32	K	58	Low	57.3	Low	61 Å²	61	90.9 Å²	90.9	27%	0.265	46%	0.458	S	S	.	.	H	α-helix	trans	-80.4	-32.4	177.5	-170	176.4	176.2	178.5	0	111.2	T28 I30 M34 A35 V36 Q94	T28-K32 WeakPolarHBondContact O-CB 3.15Å; T28-K32 PolarHBondContact O-N 3.37Å; I30-K32 PolarHBondContact O-N 3.32Å; K32-M34 PolarHBondContact O-N 3.42Å; K32-A35 PolarHBondContact O-N 2.27Å; K32-V36 WeakPolarHBondContact O-CB 3.08Å; K32-V36 WeakPolarHBondContact O-CG2 3.46Å; K32-V36 PolarHBondContact O-N 3.42Å; K32-Q94 HydrophobicContact CD-CB 3.85Å; K32-Q94 HydrophobicContact CD-CG 3.46Å; K32-Q94 VanDerWaalsContact CD-CG 3.46Å; K32-Q94 VanDerWaalsContact CE-CA 3.4Å; K32-Q94 HydrophobicContact CG-CG 3.86Å
33	R	60	Low	57.8	Low	120 Å²	120	89.3 Å²	89.3	45%	0.453	45%	0.448	S	S	.	.	H	α-helix	trans	-75.3	-24.7	177.4	-79.5	-179.7	-178.8	-173.4	-0.3	110.8	K29 I30 A31 L37 F89	K29-R33 WeakPolarHBondContact O-CB 3.32Å; K29-R33 WeakPolarHBondContact O-CG 2.49Å; K29-R33 PolarHBondContact O-N 3.2Å; I30-R33 PolarHBondContact O-N 3.2Å; A31-R33 PolarHBondContact O-N 3Å; R33-L37 WeakPolarHBondContact O-CD1 3.4Å; R33-L37 WeakPolarHBondContact O-CG 3.32Å; R33-L37 PolarHBondContact O-N 3.02Å; R33-F89 HydrophobicContact CB-CE1 3.53Å; R33-F89 HydrophobicContact CB-CE2 3.56Å; R33-F89 HydrophobicContact CB-CZ 2.84Å; R33-F89 HydrophobicContact CG-CD1 3.56Å; R33-F89 HydrophobicContact CG-CD2 4.27Å; R33-F89 HydrophobicContact CG-CE1 2.62Å; R33-F89 HydrophobicContact CG-CE2 3.52Å; R33-F89 HydrophobicContact CG-CG 4.28Å; R33-F89 HydrophobicContact CG-CZ 2.59Å
34	M	53.6	Low	58	Low	128 Å²	128	88.2 Å²	88.2	63%	0.631	44%	0.441	S	S	*	.	H	α-helix	trans	-82.7	-23.5	179.5	-85	-165.8	134.6	0	0	110.4	I30 A31 K32 V36 L37 I38	I30-M34 PolarHBondContact O-N 3.25Å; I30-M34 VanDerWaalsContact O-N 3.07Å; A31-M34 PolarHBondContact O-N 3.22Å; K32-M34 PolarHBondContact O-N 3.42Å; M34-V36 VanDerWaalsContact C-N 3.3Å; M34-V36 PolarHBondContact O-N 0.86Å; M34-L37 PolarHBondContact O-N 3.01Å; M34-I38 VanDerWaalsContact O-CG1 3.28Å; M34-I38 WeakPolarHBondContact O-CG1 3Å; M34-I38 PolarHBondContact O-N 3.47Å
35	A	60.6	Low	58.3	Low	61 Å²	61	84.3 Å²	84.3	50%	0.504	43%	0.432	S	S	.	.	H	α-helix	trans	-84.2	-23.1	179.4	0	0	0	0	0	110.6	A31 K32 L37 I38 F39	A31-A35 PolarHBondContact O-N 3.42Å; K32-A35 PolarHBondContact O-N 2.27Å; A35-L37 PolarHBondContact O-N 3.41Å; A35-I38 PolarHBondContact O-N 3.4Å; A35-F39 WeakPolarHBondContact O-CB 3.31Å; A35-F39 PolarHBondContact O-N 1.95Å; A35-F39 VanDerWaalsContact O-N 3.14Å
36	V	60.8	Low	58.7	Low	28 Å²	28	81.3 Å²	81.3	17%	0.17	42%	0.422	C	S	.	.	H	α-helix	trans	-86.8	-24.1	-177.2	169.6	0	0	0	0	109.4	K32 M34 I38 F39 T40 I88	K32-V36 WeakPolarHBondContact O-CB 3.08Å; K32-V36 WeakPolarHBondContact O-CG2 3.46Å; K32-V36 PolarHBondContact O-N 3.42Å; M34-V36 VanDerWaalsContact C-N 3.3Å; M34-V36 PolarHBondContact O-N 0.86Å; V36-I38 VanDerWaalsContact C-N 3.33Å; V36-F39 PolarHBondContact O-N 3.29Å; V36-T40 VanDerWaalsContact O-CB 3.26Å; V36-T40 WeakPolarHBondContact O-CB 3.21Å; V36-T40 PolarHBondContact O-N 1.94Å; V36-T40 PolarHBondContact O-OG1 3.13Å; V36-I88 HydrophobicContact CG1-CG2 4.16Å
37	L	63.9	Low	58.9	Low	80 Å²	80	76.1 Å²	76.1	42%	0.419	41%	0.405	S	S	.	.	H	α-helix	trans	-75.4	-33	175.8	-77	172.6	0	0	0	111	R33 M34 A35 F39 D41 L85	R33-L37 WeakPolarHBondContact O-CD1 3.4Å; R33-L37 WeakPolarHBondContact O-CG 3.32Å; R33-L37 PolarHBondContact O-N 3.02Å; M34-L37 PolarHBondContact O-N 3.01Å; A35-L37 PolarHBondContact O-N 3.41Å; L37-F39 PolarHBondContact O-N 3.43Å; L37-D41 WeakPolarHBondContact O-CB 2.94Å; L37-D41 PolarHBondContact O-N 1.9Å; L37-L85 HydrophobicContact CD2-CD2 3.9Å; L37-L85 HydrophobicContact CD2-CG 4.44Å
38	I	61.8	Low	59.3	Low	101 Å²	101	74.9 Å²	74.9	52%	0.518	40%	0.397	S	S	.	.	H	α-helix	trans	-80.7	-23.7	179.4	-65.2	172.9	0	0	0	109.4	M34 A35 V36 D41 F42	M34-I38 VanDerWaalsContact O-CG1 3.28Å; M34-I38 WeakPolarHBondContact O-CG1 3Å; M34-I38 PolarHBondContact O-N 3.47Å; A35-I38 PolarHBondContact O-N 3.4Å; V36-I38 VanDerWaalsContact C-N 3.33Å; I38-D41 PolarHBondContact O-N 3.5Å; I38-F42 HydrophobicContact CG2-CD2 3.58Å; I38-F42 HydrophobicContact CG2-CE2 3.35Å; I38-F42 WeakPolarHBondContact O-CB 3.49Å; I38-F42 WeakPolarHBondContact O-CD2 3.4Å; I38-F42 WeakPolarHBondContact O-CG 1.5Å; I38-F42 PolarHBondContact O-N 3.31Å
39	F	60.5	Low	59.7	Low	75 Å²	75	76.3 Å²	76.3	33%	0.329	41%	0.409	S	S	.	.	H	α-helix	trans	-81.4	-41.1	178.7	-174.6	-102.2	0	0	0	110.5	V4 A35 V36 L37 D41 F42 M43	V4-F39 HydrophobicContact CG1-CD2 3.69Å; V4-F39 HydrophobicContact CG1-CE2 3.59Å; A35-F39 WeakPolarHBondContact O-CB 3.31Å; A35-F39 PolarHBondContact O-N 1.95Å; A35-F39 VanDerWaalsContact O-N 3.14Å; V36-F39 PolarHBondContact O-N 3.29Å; L37-F39 PolarHBondContact O-N 3.43Å; F39-D41 VanDerWaalsContact C-N 3.26Å; F39-D41 PolarHBondContact O-N 3.26Å; F39-F42 PolarHBondContact O-N 3.46Å; F39-M43 HydrophobicContact CD1-CE 3.04Å; F39-M43 HydrophobicContact CE1-CE 2.27Å; F39-M43 HydrophobicContact CE1-SD 4.07Å; F39-M43 HydrophobicContact CE2-CE 4.05Å; F39-M43 HydrophobicContact CG-CE 4.11Å; F39-M43 HydrophobicContact CZ-CE 2.95Å; F39-M43 WeakPolarHBondContact O-CB 2.57Å; F39-M43 PolarHBondContact O-N 3.38Å
40	T	57.8	Low	60.2	Low	41 Å²	41	79.1 Å²	79.1	25%	0.252	42%	0.421	S	S	.	.	H	α-helix	trans	-74.7	-26.5	-179.1	-60.7	0	0	0	0	111	V36 F42 M43 C44	V36-T40 VanDerWaalsContact O-CB 3.26Å; V36-T40 WeakPolarHBondContact O-CB 3.21Å; V36-T40 PolarHBondContact O-N 1.94Å; V36-T40 PolarHBondContact O-OG1 3.13Å; T40-F42 PolarHBondContact O-N 3.35Å; T40-M43 PolarHBondContact O-N 3.49Å; T40-C44 VanDerWaalsContact O-CB 3.28Å; T40-C44 WeakPolarHBondContact O-CB 3.35Å; T40-C44 PolarHBondContact O-N 3.11Å; T40-C44 PolarHBondContact O-SG 3.46Å
41	D	63.8	Low	60.4	Low	94 Å²	94	79.9 Å²	79.9	50%	0.503	42%	0.419	S	S	.	.	H	α-helix	trans	-71.9	-23.5	173.5	-171.9	74.3	0	0	0	111.2	L37 I38 F39 M45	L37-D41 WeakPolarHBondContact O-CB 2.94Å; L37-D41 PolarHBondContact O-N 1.9Å; I38-D41 PolarHBondContact O-N 3.5Å; F39-D41 VanDerWaalsContact C-N 3.26Å; F39-D41 PolarHBondContact O-N 3.26Å; D41-M45 WeakPolarHBondContact O-CB 3.47Å; D41-M45 WeakPolarHBondContact O-CG 2.97Å; D41-M45 PolarHBondContact O-N 3.47Å
42	F	57.5	Low	60.5	Low	110 Å²	110	79.5 Å²	79.5	48%	0.482	42%	0.416	S	S	.	.	H	α-helix	trans	-94.9	-31.5	-177.6	-87.9	-76	0	0	0	110.3	I38 F39 T40 C44 M45 A46	I38-F42 HydrophobicContact CG2-CD2 3.58Å; I38-F42 HydrophobicContact CG2-CE2 3.35Å; I38-F42 WeakPolarHBondContact O-CB 3.49Å; I38-F42 WeakPolarHBondContact O-CD2 3.4Å; I38-F42 WeakPolarHBondContact O-CG 1.5Å; I38-F42 PolarHBondContact O-N 3.31Å; F39-F42 PolarHBondContact O-N 3.46Å; T40-F42 PolarHBondContact O-N 3.35Å; F42-C44 PolarHBondContact O-N 3.14Å; F42-M45 CarbonylContact O-C 2.3Å; F42-M45 PolarHBondContact O-N 3.46Å; F42-M45 VanDerWaalsContact O-N 3.1Å; F42-A46 WeakPolarHBondContact O-CB 3.24Å; F42-A46 PolarHBondContact O-N 3.4Å
43	M	61.8	Low	60.8	Low	103 Å²	103	81.2 Å²	81.2	51%	0.507	43%	0.427	S	S	.	.	H	α-helix	trans	-71.8	-28.4	175.7	-148.5	-177.5	-73.2	0	0	111	F39 T40 P47	F39-M43 HydrophobicContact CD1-CE 3.04Å; F39-M43 HydrophobicContact CE1-CE 2.27Å; F39-M43 HydrophobicContact CE1-SD 4.07Å; F39-M43 HydrophobicContact CE2-CE 4.05Å; F39-M43 HydrophobicContact CG-CE 4.11Å; F39-M43 HydrophobicContact CZ-CE 2.95Å; F39-M43 WeakPolarHBondContact O-CB 2.57Å; F39-M43 PolarHBondContact O-N 3.38Å; T40-M43 PolarHBondContact O-N 3.49Å; M43-P47 WeakPolarHBondContact O-CD 2.61Å; M43-P47 VanDerWaalsContact O-CG 3.26Å; M43-P47 WeakPolarHBondContact O-CG 2.5Å
44	C	55.3	Low	60.6	Low	37 Å²	37	78.5 Å²	78.5	25%	0.25	43%	0.427	C	S	.	.	H	α-helix	trans	-81.8	-18.2	176.9	-81.8	0	0	0	0	111.2	T40 F42 P47 I48 L77	T40-C44 VanDerWaalsContact O-CB 3.28Å; T40-C44 WeakPolarHBondContact O-CB 3.35Å; T40-C44 PolarHBondContact O-N 3.11Å; T40-C44 PolarHBondContact O-SG 3.46Å; F42-C44 PolarHBondContact O-N 3.14Å; C44-P47 WeakPolarHBondContact O-CD 3.28Å; C44-I48 VanDerWaalsContact O-CD1 3.23Å; C44-I48 WeakPolarHBondContact O-CD1 3.42Å; C44-L77 HydrophobicContact CB-CD2 4.01Å; C44-L77 WeakPolarHBondContact SG-CD2 2.97Å
45	M	58	Low	60.9	Low	108 Å²	108	75.9 Å²	75.9	53%	0.532	43%	0.426	S	S	.	.	H	α-helix	trans	-98.7	-12.2	-178.4	-79.6	-70.1	-173.5	0	0	110.5	D41 F42 P47 I48 S49	D41-M45 WeakPolarHBondContact O-CB 3.47Å; D41-M45 WeakPolarHBondContact O-CG 2.97Å; D41-M45 PolarHBondContact O-N 3.47Å; F42-M45 CarbonylContact O-C 2.3Å; F42-M45 PolarHBondContact O-N 3.46Å; F42-M45 VanDerWaalsContact O-N 3.1Å; M45-P47 VanDerWaalsContact C-CD 3.45Å; M45-I48 WeakPolarHBondContact O-CB 2.87Å; M45-I48 PolarHBondContact O-N 3.18Å; M45-I48 HydrophobicContact SD-CD1 4.02Å; M45-S49 PolarHBondContact O-N 3.39Å; M45-S49 PolarHBondContact O-OG 3.18Å
46	A	62.1	Low	61	Low	41 Å²	41	79.3 Å²	79.3	34%	0.339	44%	0.435	S	S	.	.	H	α-helix	trans	-72.9	-40.2	-177.6	0	0	0	0	0	111.1	F42 I48 S49 F50	F42-A46 WeakPolarHBondContact O-CB 3.24Å; F42-A46 PolarHBondContact O-N 3.4Å; A46-I48 PolarHBondContact O-N 3.31Å; A46-S49 PolarHBondContact O-N 3.07Å; A46-S49 PolarHBondContact O-OG 3.04Å; A46-F50 WeakPolarHBondContact O-CB 3.24Å; A46-F50 PolarHBondContact O-N 3.25Å
47	P	57.9	Low	61	Low	50 Å²	50	84.9 Å²	84.9	33%	0.325	46%	0.461	S	S	.	.	H	α-helix	trans	-74.9	-21.9	-179.6	12.4	-18.2	0	0	0	111.7	M43 C44 M45 Y51	M43-P47 WeakPolarHBondContact O-CD 2.61Å; M43-P47 VanDerWaalsContact O-CG 3.26Å; M43-P47 WeakPolarHBondContact O-CG 2.5Å; C44-P47 WeakPolarHBondContact O-CD 3.28Å; M45-P47 VanDerWaalsContact C-CD 3.45Å; P47-Y51 VanDerWaalsContact O-CB 3.23Å; P47-Y51 WeakPolarHBondContact O-CB 3.1Å; P47-Y51 PolarHBondContact O-N 3.48Å; P47-Y51 VanDerWaalsContact O-N 3.1Å
48	I	64.4	Low	60.5	Low	65 Å²	65	87.9 Å²	87.9	33%	0.333	48%	0.477	S	S	.	.	H	α-helix	trans	-78.6	-38.2	175.6	-65.2	161.2	0	0	0	109.6	C44 M45 A46 Y51 A52 F74	C44-I48 VanDerWaalsContact O-CD1 3.23Å; C44-I48 WeakPolarHBondContact O-CD1 3.42Å; M45-I48 WeakPolarHBondContact O-CB 2.87Å; M45-I48 PolarHBondContact O-N 3.18Å; M45-I48 HydrophobicContact SD-CD1 4.02Å; A46-I48 PolarHBondContact O-N 3.31Å; I48-Y51 WeakPolarHBondContact O-CB 3.2Å; I48-Y51 PolarHBondContact O-N 3.13Å; I48-A52 VanDerWaalsContact O-CB 3.32Å; I48-A52 WeakPolarHBondContact O-CB 2.8Å; I48-A52 PolarHBondContact O-N 3.26Å; I48-F74 HydrophobicContact CD1-CE1 4.49Å; I48-F74 HydrophobicContact CD1-CZ 4.35Å; I48-F74 HydrophobicContact CG1-CZ 4.12Å
49	S	63.7	Low	60.1	Low	70 Å²	70	92 Å²	92	49%	0.49	49%	0.491	S	S	.	.	H	α-helix	trans	-74.8	-34.1	-179.7	66.7	0	0	0	0	110.7	M45 A46 Y51 A52 L53	M45-S49 PolarHBondContact O-N 3.39Å; M45-S49 PolarHBondContact O-OG 3.18Å; A46-S49 PolarHBondContact O-N 3.07Å; A46-S49 PolarHBondContact O-OG 3.04Å; S49-Y51 PolarHBondContact O-N 3.3Å; S49-A52 WeakPolarHBondContact O-CB 2.6Å; S49-A52 PolarHBondContact O-N 3.11Å; S49-L53 VanDerWaalsContact O-CB 3.25Å; S49-L53 WeakPolarHBondContact O-CB 2.95Å; S49-L53 PolarHBondContact O-N 3.36Å
50	F	65.1	Low	59.8	Low	143 Å²	143	94 Å²	94	63%	0.627	51%	0.512	S	S	*	.	H	α-helix	trans	-71.1	-30.6	176.4	-173.8	-105.3	0	0	0	110.4	A46 S54	A46-F50 WeakPolarHBondContact O-CB 3.24Å; A46-F50 PolarHBondContact O-N 3.25Å; F50-S54 WeakPolarHBondContact O-CB 3.23Å; F50-S54 PolarHBondContact O-N 3.24Å; F50-S54 PolarHBondContact O-OG 3.45Å
51	Y	61.6	Low	59.1	Low	106 Å²	106	97.7 Å²	97.7	42%	0.416	53%	0.53	S	S	.	.	H	α-helix	trans	-76.2	-39.7	175.8	-176.6	-102.9	0	0	0	111.1	P47 I48 S49 L53 S54 A55 L70	P47-Y51 VanDerWaalsContact O-CB 3.23Å; P47-Y51 WeakPolarHBondContact O-CB 3.1Å; P47-Y51 PolarHBondContact O-N 3.48Å; P47-Y51 VanDerWaalsContact O-N 3.1Å; I48-Y51 WeakPolarHBondContact O-CB 3.2Å; I48-Y51 PolarHBondContact O-N 3.13Å; S49-Y51 PolarHBondContact O-N 3.3Å; Y51-L53 VanDerWaalsContact C-N 3.27Å; Y51-L53 PolarHBondContact O-N 3.37Å; Y51-S54 PolarHBondContact O-N 2.93Å; Y51-A55 WeakPolarHBondContact O-CB 3.46Å; Y51-A55 PolarHBondContact O-N 3.17Å; Y51-L70 HydrophobicContact CD1-CD1 3.96Å; Y51-L70 HydrophobicContact CD2-CD1 3.92Å; Y51-L70 HydrophobicContact CD2-CD2 4.28Å; Y51-L70 HydrophobicContact CD2-CG 4.41Å; Y51-L70 HydrophobicContact CE1-CD1 3.3Å; Y51-L70 HydrophobicContact CE2-CD1 3.25Å; Y51-L70 HydrophobicContact CE2-CD2 4.42Å; Y51-L70 HydrophobicContact CE2-CG 4.05Å; Y51-L70 HydrophobicContact CG-CD1 4.24Å; Y51-L70 HydrophobicContact CG-CD2 4.37Å; Y51-L70 WeakPolarHBondContact OH-CD1 2.95Å
52	A	62.3	Low	58.7	Low	47 Å²	47	100.1 Å²	100.1	39%	0.388	54%	0.541	S	S	.	.	H	α-helix	trans	-65.3	-36.8	176	0	0	0	0	0	110.9	I48 S49 A55 L56	I48-A52 VanDerWaalsContact O-CB 3.32Å; I48-A52 WeakPolarHBondContact O-CB 2.8Å; I48-A52 PolarHBondContact O-N 3.26Å; S49-A52 WeakPolarHBondContact O-CB 2.6Å; S49-A52 PolarHBondContact O-N 3.11Å; A52-A55 WeakPolarHBondContact O-CB 2.67Å; A52-A55 PolarHBondContact O-N 3.34Å; A52-L56 WeakPolarHBondContact O-CD1 3.28Å; A52-L56 WeakPolarHBondContact O-CG 3.47Å; A52-L56 PolarHBondContact O-N 2.92Å
53	L	63.5	Low	58.4	Low	97 Å²	97	97.8 Å²	97.8	51%	0.508	54%	0.536	S	S	.	.	H	α-helix	trans	-76.7	-34.1	178.9	-172.2	61.4	0	0	0	110	S49 Y51 A55 L56 M57	S49-L53 VanDerWaalsContact O-CB 3.25Å; S49-L53 WeakPolarHBondContact O-CB 2.95Å; S49-L53 PolarHBondContact O-N 3.36Å; Y51-L53 VanDerWaalsContact C-N 3.27Å; Y51-L53 PolarHBondContact O-N 3.37Å; L53-A55 PolarHBondContact O-N 2.76Å; L53-L56 PolarHBondContact O-N 2.84Å; L53-M57 WeakPolarHBondContact O-CG 3.34Å; L53-M57 PolarHBondContact O-N 2.91Å; L53-M57 VanDerWaalsContact O-N 3.09Å
54	S	57.1	Low	57.8	Low	64 Å²	64	99.3 Å²	99.3	45%	0.448	55%	0.551	S	S	.	*	H	α-helix	trans	-72	-28.3	176.4	-68.2	0	0	0	0	111.3	F50 Y51	F50-S54 WeakPolarHBondContact O-CB 3.23Å; F50-S54 PolarHBondContact O-N 3.24Å; F50-S54 PolarHBondContact O-OG 3.45Å; Y51-S54 PolarHBondContact O-N 2.93Å
55	A	60.2	Low	57.7	Low	73 Å²	73	102.5 Å²	102.5	60%	0.603	57%	0.569	S	S	*	*	H	α-helix	trans	-74.7	-27.9	173.1	0	0	0	0	0	111.5	Y51 A52 L53	Y51-A55 WeakPolarHBondContact O-CB 3.46Å; Y51-A55 PolarHBondContact O-N 3.17Å; A52-A55 WeakPolarHBondContact O-CB 2.67Å; A52-A55 PolarHBondContact O-N 3.34Å; L53-A55 PolarHBondContact O-N 2.76Å
56	L	61.7	Low	57.5	Low	133 Å²	133	100.8 Å²	100.8	70%	0.696	56%	0.562	S	S	*	*	H	α-helix	trans	-87.5	0	-176.5	-72	170.9	0	0	0	110.3	A52 L53 N58	A52-L56 WeakPolarHBondContact O-CD1 3.28Å; A52-L56 WeakPolarHBondContact O-CG 3.47Å; A52-L56 PolarHBondContact O-N 2.92Å; L53-L56 PolarHBondContact O-N 2.84Å; L56-N58 PolarHBondContact O-N 3.46Å
57	M	61.9	Low	57.2	Low	144 Å²	144	101.7 Å²	101.7	71%	0.709	57%	0.566	S	S	*	*	S	Bend		0	28.6	0	-74	-160.7	61.2	0	0	109.5	L53	L53-M57 WeakPolarHBondContact O-CG 3.34Å; L53-M57 PolarHBondContact O-N 2.91Å; L53-M57 VanDerWaalsContact O-N 3.09Å
58	N	53.2	Low	56.9	Low	143 Å²	143	106.9 Å²	106.9	77%	0.765	58%	0.584	S	S	*	*	S	Bend	trans	83.6	0	142.1	-94.6	-75.3	0	0	0	110.2	L56	L56-N58 PolarHBondContact O-N 3.46Å
59	K	51.6	Low	56.5	Low	187 Å²	187	108.4 Å²	108.4	81%	0.813	59%	0.591	S	S	*	*				0	0	0	-110.6	-170.6	-152.1	-143.1	0	109.5	L61	K59-L61 PolarHBondContact O-N 3.4Å; K59-L61 VanDerWaalsContact O-N 3.15Å
60	P	55.1	Low	56.2	Low	118 Å²	118	106.7 Å²	106.7	77%	0.766	58%	0.577	S	S	*	*				0	52.5	0	32.2	-6.2	0	0	0	111.7
61	L	44.1	Very low	55.9	Low	119 Å²	119	105.8 Å²	105.8	62%	0.623	58%	0.577	S	S	*	*			trans	-137.2	77.2	179.2	-113.3	76.5	0	0	0	109	K59	K59-L61 PolarHBondContact O-N 3.4Å; K59-L61 VanDerWaalsContact O-N 3.15Å
62	I	53.9	Low	55.6	Low	144 Å²	144	105.1 Å²	105.1	74%	0.738	58%	0.584	S	S	*	*			trans	90.9	89.9	131.8	-90.1	150.7	0	0	0	108.8
63	T	51.7	Low	55.5	Low	62 Å²	62	106.6 Å²	106.6	38%	0.38	59%	0.585	S	S	.	*			trans	-147.1	46.4	156.2	-27	0	0	0	0	109.6	T65 N66	T63-T65 PolarHBondContact O-N 3.3Å; T63-N66 WeakPolarHBondContact CB-ND2 2.98Å; T63-N66 HydrophobicContact CG2-CB 3.95Å; T63-N66 WeakPolarHBondContact CG2-ND2 3.4Å; T63-N66 PolarHBondContact O-N 3.49Å; T63-N66 PolarHBondContact OG1-ND2 3Å
64	V	49.8	Very low	55	Low	134 Å²	134	106.8 Å²	106.8	81%	0.812	58%	0.582	S	S	*	*	S	Bend	trans	-16.1	0	152	-162.2	0	0	0	0	110.2
65	T	53.2	Low	54.9	Low	104 Å²	104	112.3 Å²	112.3	64%	0.638	60%	0.595	S	S	*	*	S	Bend		0	0	0	-48.3	0	0	0	0	110.9	T63	T63-T65 PolarHBondContact O-N 3.3Å
66	N	54	Low	54.5	Low	72 Å²	72	111 Å²	111	39%	0.385	58%	0.58	S	S	.	*	T	Hydrogen-bonded Turn		0	-9.3	0	-78.2	-70.1	0	0	0	110.6	T63	T63-N66 WeakPolarHBondContact CB-ND2 2.98Å; T63-N66 HydrophobicContact CG2-CB 3.95Å; T63-N66 WeakPolarHBondContact CG2-ND2 3.4Å; T63-N66 PolarHBondContact O-N 3.49Å; T63-N66 PolarHBondContact OG1-ND2 3Å
67	S	54.1	Low	54.3	Low	61 Å²	61	106.9 Å²	106.9	43%	0.427	56%	0.558	S	S	.	*	H	α-helix	trans	-76.1	-11.5	174.8	-60.3	0	0	0	0	110.7	L71	S67-L71 WeakPolarHBondContact O-CB 3.45Å; S67-L71 PolarHBondContact O-N 3.26Å
68	K	53	Low	54.1	Low	159 Å²	159	105.8 Å²	105.8	69%	0.691	56%	0.555	S	S	*	*	H	α-helix	trans	-89.1	-25.4	174.5	-150.9	176.1	-171.2	177.7	0	110.8	L70 V72	K68-L70 VanDerWaalsContact C-N 3.35Å; K68-V72 HydrophobicContact CG-CG2 4.38Å; K68-V72 WeakPolarHBondContact O-CA 2.97Å; K68-V72 WeakPolarHBondContact O-CB 3.42Å; K68-V72 WeakPolarHBondContact O-CG2 3.45Å; K68-V72 PolarHBondContact O-N 2.95Å
69	I	56.6	Low	54.2	Low	96 Å²	96	102.4 Å²	102.4	49%	0.492	54%	0.543	S	S	.	.	H	α-helix	trans	-85.8	-16.3	-178	-97.2	120	0	0	0	109.8	L73	I69-L73 HydrophobicContact CG2-CD1 4.2Å; I69-L73 WeakPolarHBondContact O-CA 2.92Å; I69-L73 WeakPolarHBondContact O-CB 3.26Å; I69-L73 PolarHBondContact O-N 3.46Å
70	L	56.8	Low	53.7	Low	35 Å²	35	96.1 Å²	96.1	18%	0.183	52%	0.522	C	S	.	.	H	α-helix	trans	-93.8	-31	176.3	-85.2	174.1	0	0	0	110.6	Y51 K68 L73 F74	Y51-L70 HydrophobicContact CD1-CD1 3.96Å; Y51-L70 HydrophobicContact CD2-CD1 3.92Å; Y51-L70 HydrophobicContact CD2-CD2 4.28Å; Y51-L70 HydrophobicContact CD2-CG 4.41Å; Y51-L70 HydrophobicContact CE1-CD1 3.3Å; Y51-L70 HydrophobicContact CE2-CD1 3.25Å; Y51-L70 HydrophobicContact CE2-CD2 4.42Å; Y51-L70 HydrophobicContact CE2-CG 4.05Å; Y51-L70 HydrophobicContact CG-CD1 4.24Å; Y51-L70 HydrophobicContact CG-CD2 4.37Å; Y51-L70 WeakPolarHBondContact OH-CD1 2.95Å; K68-L70 VanDerWaalsContact C-N 3.35Å; L70-L73 CarbonylContact O-C 3.51Å; L70-L73 PolarHBondContact O-N 3.1Å; L70-F74 VanDerWaalsContact C-CD2 3.47Å; L70-F74 HydrophobicContact CB-CD2 4.09Å; L70-F74 HydrophobicContact CB-CE2 4.35Å; L70-F74 HydrophobicContact CD2-CD2 4.15Å; L70-F74 HydrophobicContact CD2-CE2 3.77Å; L70-F74 VanDerWaalsContact O-CA 3.31Å; L70-F74 WeakPolarHBondContact O-CA 3.45Å; L70-F74 WeakPolarHBondContact O-CB 3.39Å; L70-F74 WeakPolarHBondContact O-CD2 3.09Å; L70-F74 WeakPolarHBondContact O-CG 3.15Å; L70-F74 PolarHBondContact O-N 3.34Å
71	L	58.7	Low	53.7	Low	123 Å²	123	92 Å²	92	64%	0.644	50%	0.497	S	S	*	.	H	α-helix	trans	-82.6	-27.3	174.3	-114.6	153.6	0	0	0	110.7	S67 Y75	S67-L71 WeakPolarHBondContact O-CB 3.45Å; S67-L71 PolarHBondContact O-N 3.26Å; L71-Y75 WeakPolarHBondContact O-CA 3.44Å; L71-Y75 WeakPolarHBondContact O-CB 3.35Å; L71-Y75 PolarHBondContact O-N 2.88Å
72	V	55.9	Low	54.2	Low	92 Å²	92	91 Å²	91	56%	0.558	49%	0.493	S	S	*	.	H	α-helix	trans	-83	0	174.7	159.9	0	0	0	0	109.1	K68 P76	K68-V72 HydrophobicContact CG-CG2 4.38Å; K68-V72 WeakPolarHBondContact O-CA 2.97Å; K68-V72 WeakPolarHBondContact O-CB 3.42Å; K68-V72 WeakPolarHBondContact O-CG2 3.45Å; K68-V72 PolarHBondContact O-N 2.95Å; V72-P76 VanDerWaalsContact C-CG 3.4Å; V72-P76 WeakPolarHBondContact O-CD 3.13Å; V72-P76 WeakPolarHBondContact O-CG 3.17Å
73	L	58.5	Low	54	Low	79 Å²	79	87.5 Å²	87.5	41%	0.414	48%	0.479	S	S	.	.	H	α-helix		0	-25.5	0	-130.9	125.6	0	0	0	110.2	I69 L70 Y75 P76 L77	I69-L73 HydrophobicContact CG2-CD1 4.2Å; I69-L73 WeakPolarHBondContact O-CA 2.92Å; I69-L73 WeakPolarHBondContact O-CB 3.26Å; I69-L73 PolarHBondContact O-N 3.46Å; L70-L73 CarbonylContact O-C 3.51Å; L70-L73 PolarHBondContact O-N 3.1Å; L73-Y75 VanDerWaalsContact C-N 3.32Å; L73-P76 VanDerWaalsContact O-CD 3.3Å; L73-P76 WeakPolarHBondContact O-CD 3.21Å; L73-L77 HydrophobicContact CD2-CD1 3.74Å; L73-L77 WeakPolarHBondContact O-CB 3.34Å; L73-L77 WeakPolarHBondContact O-CD1 3.44Å; L73-L77 VanDerWaalsContact O-CG 3.24Å; L73-L77 WeakPolarHBondContact O-CG 3.26Å; L73-L77 PolarHBondContact O-N 2.78Å; L73-L77 VanDerWaalsContact O-N 3.14Å
74	F	53.6	Low	53.9	Low	100 Å²	100	90.4 Å²	90.4	44%	0.439	49%	0.487	S	S	.	.	H	α-helix	trans	-83.6	-25.4	176	-92.1	-79.7	0	0	0	109.5	I48 L70 N78	I48-F74 HydrophobicContact CD1-CE1 4.49Å; I48-F74 HydrophobicContact CD1-CZ 4.35Å; I48-F74 HydrophobicContact CG1-CZ 4.12Å; L70-F74 VanDerWaalsContact C-CD2 3.47Å; L70-F74 HydrophobicContact CB-CD2 4.09Å; L70-F74 HydrophobicContact CB-CE2 4.35Å; L70-F74 HydrophobicContact CD2-CD2 4.15Å; L70-F74 HydrophobicContact CD2-CE2 3.77Å; L70-F74 VanDerWaalsContact O-CA 3.31Å; L70-F74 WeakPolarHBondContact O-CA 3.45Å; L70-F74 WeakPolarHBondContact O-CB 3.39Å; L70-F74 WeakPolarHBondContact O-CD2 3.09Å; L70-F74 WeakPolarHBondContact O-CG 3.15Å; L70-F74 PolarHBondContact O-N 3.34Å; F74-N78 WeakPolarHBondContact O-CB 3.44Å; F74-N78 PolarHBondContact O-N 3.19Å
75	Y	55.6	Low	54	Low	181 Å²	181	88 Å²	88	71%	0.71	47%	0.469	S	S	*	.	H	α-helix	trans	-81.5	-25.9	178.3	-170.3	-100.9	0	0	0	111.4	L71 L73	L71-Y75 WeakPolarHBondContact O-CA 3.44Å; L71-Y75 WeakPolarHBondContact O-CB 3.35Å; L71-Y75 PolarHBondContact O-N 2.88Å; L73-Y75 VanDerWaalsContact C-N 3.32Å
76	P	50.4	Low	53.7	Low	45 Å²	45	92.3 Å²	92.3	29%	0.292	48%	0.475	S	S	.	.	H	α-helix	trans	-96.3	0	172.2	9.9	-9.1	0	0	0	111.7	V72 L73 C80	V72-P76 VanDerWaalsContact C-CG 3.4Å; V72-P76 WeakPolarHBondContact O-CD 3.13Å; V72-P76 WeakPolarHBondContact O-CG 3.17Å; L73-P76 VanDerWaalsContact O-CD 3.3Å; L73-P76 WeakPolarHBondContact O-CD 3.21Å; P76-C80 VanDerWaalsContact C-CB 3.43Å; P76-C80 WeakPolarHBondContact O-CA 3.36Å; P76-C80 WeakPolarHBondContact O-CB 3.28Å; P76-C80 PolarHBondContact O-N 3.38Å; P76-C80 PolarHBondContact O-SG 3.23Å
77	L	59.2	Low	53.3	Low	47 Å²	47	91.2 Å²	91.2	25%	0.246	48%	0.476	C	S	.	.	H	α-helix		0	-22.3	0	-94.2	158.5	0	0	0	111.2	C44 L73 A81	C44-L77 HydrophobicContact CB-CD2 4.01Å; C44-L77 WeakPolarHBondContact SG-CD2 2.97Å; L73-L77 HydrophobicContact CD2-CD1 3.74Å; L73-L77 WeakPolarHBondContact O-CB 3.34Å; L73-L77 WeakPolarHBondContact O-CD1 3.44Å; L73-L77 VanDerWaalsContact O-CG 3.24Å; L73-L77 WeakPolarHBondContact O-CG 3.26Å; L73-L77 PolarHBondContact O-N 2.78Å; L73-L77 VanDerWaalsContact O-N 3.14Å; L77-A81 WeakPolarHBondContact O-CB 3.38Å
78	N	56.8	Low	53.1	Low	121 Å²	121	90.6 Å²	90.6	65%	0.647	47%	0.467	S	S	*	.	H	α-helix	trans	-98	-13.6	178.2	-172.6	-47.9	0	0	0	110.6	F74 N82	F74-N78 WeakPolarHBondContact O-CB 3.44Å; F74-N78 PolarHBondContact O-N 3.19Å; N78-N82 PolarHBondContact O-ND2 3.5Å
79	S	54.9	Low	53	Low	72 Å²	72	85.6 Å²	85.6	50%	0.503	45%	0.446	S	S	.	.	H	α-helix	trans	-115	0	177.4	-165.9	0	0	0	0	110.3	N82 P83	S79-N82 WeakPolarHBondContact CA-ND2 3.47Å; S79-N82 WeakPolarHBondContact O-CB 3.23Å; S79-N82 PolarHBondContact O-N 3.4Å; S79-P83 VanDerWaalsContact O-CD 3.24Å; S79-P83 WeakPolarHBondContact O-CD 3.28Å
80	C	42.8	Very low	52.7	Low	55 Å²	55	84.8 Å²	84.8	37%	0.372	45%	0.445	S	S	.	.	H	α-helix		0	0	0	-72.4	0	0	0	0	110.8	P76 F84	P76-C80 VanDerWaalsContact C-CB 3.43Å; P76-C80 WeakPolarHBondContact O-CA 3.36Å; P76-C80 WeakPolarHBondContact O-CB 3.28Å; P76-C80 PolarHBondContact O-N 3.38Å; P76-C80 PolarHBondContact O-SG 3.23Å; C80-F84 HydrophobicContact CB-CD2 4.14Å; C80-F84 WeakPolarHBondContact O-CB 3Å; C80-F84 WeakPolarHBondContact O-CD2 3.43Å; C80-F84 WeakPolarHBondContact O-CG 3.01Å; C80-F84 PolarHBondContact O-N 2.94Å
81	A	53.3	Low	52.2	Low	30 Å²	30	89.6 Å²	89.6	25%	0.248	47%	0.465	C	S	.	.	T	Hydrogen-bonded Turn		0	-6.9	0	0	0	0	0	0	110.9	L77 L85	L77-A81 WeakPolarHBondContact O-CB 3.38Å; A81-L85 HydrophobicContact CB-CD1 4.16Å; A81-L85 WeakPolarHBondContact O-CB 3.49Å; A81-L85 WeakPolarHBondContact O-CD1 3.47Å; A81-L85 WeakPolarHBondContact O-CG 3.08Å
82	N	55.7	Low	51.7	Low	100 Å²	100	87.3 Å²	87.3	54%	0.535	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-4.1	-172.7	-69.5	-35.5	0	0	0	110.8	N78 S79	N78-N82 PolarHBondContact O-ND2 3.5Å; S79-N82 WeakPolarHBondContact CA-ND2 3.47Å; S79-N82 WeakPolarHBondContact O-CB 3.23Å; S79-N82 PolarHBondContact O-N 3.4Å
83	P	50.2	Low	51.2	Low	69 Å²	69	88.9 Å²	88.9	45%	0.448	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.1	0	160.5	2.1	-0.7	0	0	0	111.6	S79 Y86 A87	S79-P83 VanDerWaalsContact O-CD 3.24Å; S79-P83 WeakPolarHBondContact O-CD 3.28Å; P83-Y86 VanDerWaalsContact C-CA 3.45Å; P83-Y86 CarbonylContact O-C 2.91Å; P83-Y86 WeakPolarHBondContact O-CA 3.5Å; P83-Y86 WeakPolarHBondContact O-CB 3.32Å; P83-Y86 PolarHBondContact O-N 3.48Å; P83-A87 VanDerWaalsContact O-CB 3.23Å; P83-A87 WeakPolarHBondContact O-CB 3.31Å; P83-A87 PolarHBondContact O-N 3.32Å
84	F	48.3	Very low	51	Low	124 Å²	124	86 Å²	86	54%	0.544	45%	0.448	S	S	.	.	H	α-helix		0	-25.7	0	-96.2	-85.5	0	0	0	111	C80 I88	C80-F84 HydrophobicContact CB-CD2 4.14Å; C80-F84 WeakPolarHBondContact O-CB 3Å; C80-F84 WeakPolarHBondContact O-CD2 3.43Å; C80-F84 WeakPolarHBondContact O-CG 3.01Å; C80-F84 PolarHBondContact O-N 2.94Å; F84-I88 HydrophobicContact CD1-CD1 3.49Å; F84-I88 VanDerWaalsContact CD1-CD1 3.49Å; F84-I88 HydrophobicContact CD1-CG1 4Å; F84-I88 HydrophobicContact CE1-CD1 4.15Å; F84-I88 VanDerWaalsContact O-CB 3.24Å; F84-I88 WeakPolarHBondContact O-CB 3.24Å; F84-I88 PolarHBondContact O-N 2.8Å
85	L	52.2	Low	50.9	Low	82 Å²	82	90.2 Å²	90.2	43%	0.429	46%	0.461	S	S	.	.	H	α-helix	trans	-73.8	-19	150.4	-127.3	146.5	0	0	0	111.1	L37 A81	L37-L85 HydrophobicContact CD2-CD2 3.9Å; L37-L85 HydrophobicContact CD2-CG 4.44Å; A81-L85 HydrophobicContact CB-CD1 4.16Å; A81-L85 WeakPolarHBondContact O-CB 3.49Å; A81-L85 WeakPolarHBondContact O-CD1 3.47Å; A81-L85 WeakPolarHBondContact O-CG 3.08Å
86	Y	47.8	Very low	50.4	Low	195 Å²	195	86.8 Å²	86.8	77%	0.765	46%	0.455	S	S	*	.	H	α-helix	trans	-105.6	-0.8	-175	-148.3	-99.3	0	0	0	109.5	P83	P83-Y86 VanDerWaalsContact C-CA 3.45Å; P83-Y86 CarbonylContact O-C 2.91Å; P83-Y86 WeakPolarHBondContact O-CA 3.5Å; P83-Y86 WeakPolarHBondContact O-CB 3.32Å; P83-Y86 PolarHBondContact O-N 3.48Å
87	A	45.6	Very low	50.5	Low	49 Å²	49	87.2 Å²	87.2	41%	0.405	46%	0.457	S	S	.	.	H	α-helix	trans	-156.7	-22.4	-162.2	0	0	0	0	0	109.2	P83 F89 T90	P83-A87 VanDerWaalsContact O-CB 3.23Å; P83-A87 WeakPolarHBondContact O-CB 3.31Å; P83-A87 PolarHBondContact O-N 3.32Å; A87-F89 CarbonylContact O-C 3.57Å; A87-F89 PolarHBondContact O-N 2.91Å; A87-T90 HydrophobicContact CB-CG2 3.09Å; A87-T90 WeakPolarHBondContact O-CA 3.25Å; A87-T90 WeakPolarHBondContact O-CB 3.4Å; A87-T90 CovalentContact O-CG2 1.61Å; A87-T90 WeakPolarHBondContact O-CG2 3.23Å; A87-T90 PolarHBondContact O-N 3.39Å
88	I	49.6	Very low	50.2	Low	49 Å²	49	89.4 Å²	89.4	25%	0.251	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-2.4	168.7	-71.2	-176.6	0	0	0	109.8	V36 F84 F93	V36-I88 HydrophobicContact CG1-CG2 4.16Å; F84-I88 HydrophobicContact CD1-CD1 3.49Å; F84-I88 VanDerWaalsContact CD1-CD1 3.49Å; F84-I88 HydrophobicContact CD1-CG1 4Å; F84-I88 HydrophobicContact CE1-CD1 4.15Å; F84-I88 VanDerWaalsContact O-CB 3.24Å; F84-I88 WeakPolarHBondContact O-CB 3.24Å; F84-I88 PolarHBondContact O-N 2.8Å; I88-F93 HydrophobicContact CG2-CD1 4.16Å
89	F	50.3	Low	49.8	Very low	54 Å²	54	88.6 Å²	88.6	24%	0.237	46%	0.459	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	0	153.8	-123.4	-92.1	0	0	0	111.1	R33 A87	R33-F89 HydrophobicContact CB-CE1 3.53Å; R33-F89 HydrophobicContact CB-CE2 3.56Å; R33-F89 HydrophobicContact CB-CZ 2.84Å; R33-F89 HydrophobicContact CG-CD1 3.56Å; R33-F89 HydrophobicContact CG-CD2 4.27Å; R33-F89 HydrophobicContact CG-CE1 2.62Å; R33-F89 HydrophobicContact CG-CE2 3.52Å; R33-F89 HydrophobicContact CG-CG 4.28Å; R33-F89 HydrophobicContact CG-CZ 2.59Å; A87-F89 CarbonylContact O-C 3.57Å; A87-F89 PolarHBondContact O-N 2.91Å
90	T	50.4	Low	49.3	Very low	79 Å²	79	91.3 Å²	91.3	49%	0.485	47%	0.467	S	S	.	.	S	Bend		0	96.3	0	131.6	0	0	0	0	108.5	A87 A92	A87-T90 HydrophobicContact CB-CG2 3.09Å; A87-T90 WeakPolarHBondContact O-CA 3.25Å; A87-T90 WeakPolarHBondContact O-CB 3.4Å; A87-T90 CovalentContact O-CG2 1.61Å; A87-T90 WeakPolarHBondContact O-CG2 3.23Å; A87-T90 PolarHBondContact O-N 3.39Å; T90-A92 PolarHBondContact O-N 3.29Å
91	K	47.3	Very low	49.8	Very low	135 Å²	135	89.6 Å²	89.6	59%	0.587	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	14.3	-14	170.4	-68	-139.1	-176.4	171.8	0	111.3	K29	K29-K91 VanDerWaalsContact NZ-NZ 3.12Å
92	A	46.7	Very low	49.4	Very low	76 Å²	76	90.6 Å²	90.6	63%	0.628	46%	0.459	S	S	*	.	H	α-helix	trans	-98.7	0	-173.7	0	0	0	0	0	110.7	T90	T90-A92 PolarHBondContact O-N 3.29Å
93	F	45.1	Very low	48.8	Very low	124 Å²	124	94.5 Å²	94.5	54%	0.544	47%	0.471	S	S	.	.	H	α-helix		0	-15.2	0	-149	-97.9	0	0	0	110.7	I88 R95 V97	I88-F93 HydrophobicContact CG2-CD1 4.16Å; F93-R95 VanDerWaalsContact C-N 3.31Å; F93-R95 PolarHBondContact O-N 3.1Å; F93-V97 HydrophobicContact CD1-CG2 4.11Å; F93-V97 HydrophobicContact CE1-CG2 4.22Å; F93-V97 VanDerWaalsContact O-CG2 3.28Å; F93-V97 WeakPolarHBondContact O-CG2 3.34Å; F93-V97 PolarHBondContact O-N 3.03Å
94	Q	55.5	Low	48.5	Very low	20 Å²	20	96.8 Å²	96.8	9%	0.093	47%	0.474	C	S	.	.	H	α-helix	trans	-76.4	-29.9	172	-91.6	-175.3	12.8	0	0	111.1	K32 F98	K32-Q94 HydrophobicContact CD-CB 3.85Å; K32-Q94 HydrophobicContact CD-CG 3.46Å; K32-Q94 VanDerWaalsContact CD-CG 3.46Å; K32-Q94 VanDerWaalsContact CE-CA 3.4Å; K32-Q94 HydrophobicContact CG-CG 3.86Å; Q94-F98 WeakPolarHBondContact O-CB 2.7Å; Q94-F98 PolarHBondContact O-N 3.03Å; Q94-F98 VanDerWaalsContact O-N 3.13Å
95	R	51.3	Low	48.8	Very low	188 Å²	188	92.6 Å²	92.6	71%	0.709	47%	0.466	S	S	*	.	H	α-helix	trans	-81.3	-31.4	-179.7	-92.2	-150.2	-174.8	149.9	-0	110.5	F93 I99	F93-R95 VanDerWaalsContact C-N 3.31Å; F93-R95 PolarHBondContact O-N 3.1Å; R95-I99 WeakPolarHBondContact O-CD1 2.8Å; R95-I99 WeakPolarHBondContact O-CG1 1.61Å; R95-I99 PolarHBondContact O-N 3.33Å; R95-I99 VanDerWaalsContact O-N 3.11Å
96	D	46.1	Very low	48.6	Very low	108 Å²	108	88.7 Å²	88.7	58%	0.578	45%	0.446	S	S	*	.	H	α-helix	trans	-81.9	0	-178.1	-86.4	-28	0	0	0	111.2	L100	D96-L100 WeakPolarHBondContact O-CB 3.07Å; D96-L100 PolarHBondContact O-N 3.34Å
97	V	51.7	Low	48.7	Very low	55 Å²	55	79.9 Å²	79.9	33%	0.333	41%	0.412	S	S	.	.	H	α-helix		0	-29.7	0	170.8	0	0	0	0	109.5	I12 F93 L101	I12-V97 WeakPolarHBondContact CD1-O 0.81Å; F93-V97 HydrophobicContact CD1-CG2 4.11Å; F93-V97 HydrophobicContact CE1-CG2 4.22Å; F93-V97 VanDerWaalsContact O-CG2 3.28Å; F93-V97 WeakPolarHBondContact O-CG2 3.34Å; F93-V97 PolarHBondContact O-N 3.03Å; V97-L101 HydrophobicContact CG1-CD1 3.46Å; V97-L101 VanDerWaalsContact CG1-CD1 3.46Å; V97-L101 HydrophobicContact CG1-CG 4.24Å; V97-L101 VanDerWaalsContact O-CB 3.28Å; V97-L101 WeakPolarHBondContact O-CB 3.39Å; V97-L101 VanDerWaalsContact O-CD1 3.26Å; V97-L101 WeakPolarHBondContact O-CD1 3.08Å; V97-L101 WeakPolarHBondContact O-CG 2.66Å; V97-L101 PolarHBondContact O-N 3.37Å
98	F	52.6	Low	48.6	Very low	93 Å²	93	86.9 Å²	86.9	41%	0.408	43%	0.434	S	S	.	.	H	α-helix	trans	-73.3	-36	174.8	-176.5	-102.5	0	0	0	110.1	I12 V16 Q94 S102	I12-F98 WeakPolarHBondContact CD1-O 2.94Å; I12-F98 HydrophobicContact CG1-CD2 4.22Å; I12-F98 VanDerWaalsContact CG2-O 3.23Å; I12-F98 WeakPolarHBondContact CG2-O 3.26Å; V16-F98 HydrophobicContact CG2-CZ 4.07Å; Q94-F98 WeakPolarHBondContact O-CB 2.7Å; Q94-F98 PolarHBondContact O-N 3.03Å; Q94-F98 VanDerWaalsContact O-N 3.13Å; F98-S102 WeakPolarHBondContact O-CB 3.13Å; F98-S102 PolarHBondContact O-N 3Å; F98-S102 VanDerWaalsContact O-N 3.11Å
99	I	47.5	Very low	48.4	Very low	103 Å²	103	95.3 Å²	95.3	53%	0.528	46%	0.463	S	S	.	.	H	α-helix	trans	-76.9	-28.7	179.3	-70.8	169	0	0	0	109.1	R95	R95-I99 WeakPolarHBondContact O-CD1 2.8Å; R95-I99 WeakPolarHBondContact O-CG1 1.61Å; R95-I99 PolarHBondContact O-N 3.33Å; R95-I99 VanDerWaalsContact O-N 3.11Å
100	L	45.9	Very low	48.1	Very low	129 Å²	129	95.2 Å²	95.2	68%	0.675	46%	0.463	S	S	*	.	H	α-helix	trans	-81.9	0	176.5	-151	89.1	0	0	0	111.1	Y9 D96	Y9-L100 WeakPolarHBondContact CD2-O 2.64Å; Y9-L100 WeakPolarHBondContact CE2-O 2.72Å; D96-L100 WeakPolarHBondContact O-CB 3.07Å; D96-L100 PolarHBondContact O-N 3.34Å
101	L	52.2	Low	47.6	Very low	20 Å²	20	93.7 Å²	93.7	11%	0.105	46%	0.458	C	S	.	.	H	α-helix		0	-25.9	0	-80.1	159.2	0	0	0	110.5	C8 I12 V97 K103 F104	C8-L101 CovalentContact C-CD2 1.62Å; C8-L101 HydrophobicContact CB-CD1 3.94Å; C8-L101 HydrophobicContact CB-CD2 2.61Å; C8-L101 HydrophobicContact CB-CG 3.67Å; C8-L101 WeakPolarHBondContact O-CB 2.86Å; C8-L101 WeakPolarHBondContact O-CD1 2.09Å; C8-L101 CovalentContact O-CD2 1.5Å; C8-L101 WeakPolarHBondContact O-CD2 3.24Å; C8-L101 WeakPolarHBondContact O-CG 3.36Å; C8-L101 WeakPolarHBondContact SG-CD1 3.34Å; C8-L101 WeakPolarHBondContact SG-CD2 3.33Å; C8-L101 WeakPolarHBondContact SG-CG 3.14Å; I12-L101 HydrophobicContact CB-CB 2.67Å; I12-L101 HydrophobicContact CB-CD1 4.35Å; I12-L101 HydrophobicContact CB-CD2 4.31Å; I12-L101 HydrophobicContact CB-CG 3.93Å; I12-L101 WeakPolarHBondContact CB-O 3.12Å; I12-L101 CovalentContact CD1-CB 0.91Å; I12-L101 HydrophobicContact CD1-CB 0.91Å; I12-L101 HydrophobicContact CD1-CD1 2.29Å; I12-L101 HydrophobicContact CD1-CD2 3.07Å; I12-L101 HydrophobicContact CD1-CG 1.88Å; I12-L101 VanDerWaalsContact CG1-C 3.47Å; I12-L101 HydrophobicContact CG1-CB 2.06Å; I12-L101 HydrophobicContact CG1-CD1 2.97Å; I12-L101 HydrophobicContact CG1-CD2 3.69Å; I12-L101 HydrophobicContact CG1-CG 2.97Å; I12-L101 VanDerWaalsContact CG2-CA 3.49Å; I12-L101 HydrophobicContact CG2-CB 3.29Å; I12-L101 WeakPolarHBondContact CG2-O 3.06Å; V97-L101 HydrophobicContact CG1-CD1 3.46Å; V97-L101 VanDerWaalsContact CG1-CD1 3.46Å; V97-L101 HydrophobicContact CG1-CG 4.24Å; V97-L101 VanDerWaalsContact O-CB 3.28Å; V97-L101 WeakPolarHBondContact O-CB 3.39Å; V97-L101 VanDerWaalsContact O-CD1 3.26Å; V97-L101 WeakPolarHBondContact O-CD1 3.08Å; V97-L101 WeakPolarHBondContact O-CG 2.66Å; V97-L101 PolarHBondContact O-N 3.37Å; L101-K103 PolarHBondContact O-N 3.21Å; L101-F104 PolarHBondContact O-N 2.88Å
102	S	45.8	Very low	47.7	Very low	51 Å²	51	94.1 Å²	94.1	36%	0.357	46%	0.463	S	S	.	.	H	α-helix	trans	-78.8	-11.7	175.2	178.9	0	0	0	0	110.1	F98	F98-S102 WeakPolarHBondContact O-CB 3.13Å; F98-S102 PolarHBondContact O-N 3Å; F98-S102 VanDerWaalsContact O-N 3.11Å
103	K	41.9	Very low	47.6	Very low	181 Å²	181	94.1 Å²	94.1	79%	0.787	46%	0.462	S	S	*	.	S	Bend	trans	-100.2	0	177.8	-98.7	-171.5	160.2	-169.1	0	111.2	Y9 L101	Y9-K103 WeakPolarHBondContact CE1-O 3.29Å; Y9-K103 HydrophobicContact CE2-CB 4.25Å; Y9-K103 CovalentContact OH-C 1.48Å; Y9-K103 WeakPolarHBondContact OH-CA 2.57Å; Y9-K103 WeakPolarHBondContact OH-CB 2.17Å; Y9-K103 PolarHBondContact OH-N 2.41Å; Y9-K103 PolarHBondContact OH-O 3.09Å; L101-K103 PolarHBondContact O-N 3.21Å
104	F	44.8	Very low	47.6	Very low	117 Å²	117	96.2 Å²	96.2	51%	0.513	47%	0.468	S	S	.	.	S	Bend		0	0	0	-113.5	-88.8	0	0	0	107.1	Y9 L101	Y9-F104 CovalentContact CD1-C 1.34Å; Y9-F104 CovalentContact CD1-CA 1.3Å; Y9-F104 CovalentContact CD1-CB 1.28Å; Y9-F104 HydrophobicContact CD1-CB 1.28Å; Y9-F104 AromaticContact CD1-CD1 3.16Å; Y9-F104 HydrophobicContact CD1-CD1 3.16Å; Y9-F104 AromaticContact CD1-CD2 3.75Å; Y9-F104 HydrophobicContact CD1-CD2 3.75Å; Y9-F104 AromaticContact CD1-CG 2.58Å; Y9-F104 HydrophobicContact CD1-CG 2.58Å; Y9-F104 WeakPolarHBondContact CD1-O 3.22Å; Y9-F104 CovalentContact CD2-CB 1.35Å; Y9-F104 HydrophobicContact CD2-CB 1.35Å; Y9-F104 AromaticContact CD2-CD1 3.19Å; Y9-F104 HydrophobicContact CD2-CD1 3.19Å; Y9-F104 AromaticContact CD2-CD2 2.58Å; Y9-F104 HydrophobicContact CD2-CD2 2.58Å; Y9-F104 HydrophobicContact CD2-CE1 4.29Å; Y9-F104 AromaticContact CD2-CE2 3.86Å; Y9-F104 HydrophobicContact CD2-CE2 3.86Å; Y9-F104 AromaticContact CD2-CG 2.06Å; Y9-F104 HydrophobicContact CD2-CG 2.06Å; Y9-F104 HydrophobicContact CE1-CB 1.62Å; Y9-F104 AromaticContact CE1-CD1 3.41Å; Y9-F104 HydrophobicContact CE1-CD1 3.41Å; Y9-F104 VanDerWaalsContact CE1-CD1 3.41Å; Y9-F104 AromaticContact CE1-CD2 3.36Å; Y9-F104 HydrophobicContact CE1-CD2 3.36Å; Y9-F104 AromaticContact CE1-CG 2.56Å; Y9-F104 HydrophobicContact CE1-CG 2.56Å; Y9-F104 CovalentContact CE1-N 1.48Å; Y9-F104 WeakPolarHBondContact CE1-O 2.3Å; Y9-F104 HydrophobicContact CE2-CB 1.64Å; Y9-F104 AromaticContact CE2-CD1 3.41Å; Y9-F104 HydrophobicContact CE2-CD1 3.41Å; Y9-F104 VanDerWaalsContact CE2-CD1 3.41Å; Y9-F104 AromaticContact CE2-CD2 1.92Å; Y9-F104 CovalentContact CE2-CD2 1.92Å; Y9-F104 HydrophobicContact CE2-CD2 1.92Å; Y9-F104 HydrophobicContact CE2-CE1 4.34Å; Y9-F104 AromaticContact CE2-CE2 3.31Å; Y9-F104 HydrophobicContact CE2-CE2 3.31Å; Y9-F104 AromaticContact CE2-CG 2Å; Y9-F104 HydrophobicContact CE2-CG 2Å; Y9-F104 HydrophobicContact CE2-CZ 4.3Å; Y9-F104 CovalentContact CG-CB 1.15Å; Y9-F104 HydrophobicContact CG-CB 1.15Å; Y9-F104 AromaticContact CG-CD1 3.08Å; Y9-F104 HydrophobicContact CG-CD1 3.08Å; Y9-F104 AromaticContact CG-CD2 3.45Å; Y9-F104 HydrophobicContact CG-CD2 3.45Å; Y9-F104 VanDerWaalsContact CG-CD2 3.45Å; Y9-F104 HydrophobicContact CG-CE1 4.42Å; Y9-F104 AromaticContact CG-CG 2.37Å; Y9-F104 HydrophobicContact CG-CG 2.37Å; Y9-F104 AromaticContact CZ-CD1 3.48Å; Y9-F104 VanDerWaalsContact CZ-CD1 3.48Å; Y9-F104 AromaticContact CZ-CD2 2.44Å; Y9-F104 AromaticContact CZ-CE2 3.73Å; Y9-F104 AromaticContact CZ-CG 2.25Å; Y9-F104 CovalentContact CZ-N 1.39Å; Y9-F104 CarbonylContact O-C 3.56Å; Y9-F104 WeakPolarHBondContact OH-CA 2.54Å; Y9-F104 WeakPolarHBondContact OH-CB 3.19Å; Y9-F104 WeakPolarHBondContact OH-CD2 2.92Å; Y9-F104 VanDerWaalsContact OH-CG 3.24Å; Y9-F104 WeakPolarHBondContact OH-CG 2.9Å; Y9-F104 PolarHBondContact OH-N 2.6Å; L101-F104 PolarHBondContact O-N 2.88Å
105	G	54.8	Low	47.2	Very low	36 Å²	36	101.4 Å²	101.4	37%	0.371	49%	0.492	S	S	.	.				0	55	0	0	0	0	0	0	111.1	Y13 C107	Y13-G105 VanDerWaalsContact CB-CA 3.48Å; Y13-G105 WeakPolarHBondContact CB-O 3.24Å; Y13-G105 WeakPolarHBondContact CD1-O 2.4Å; Y13-G105 VanDerWaalsContact CD2-O 3.27Å; Y13-G105 WeakPolarHBondContact CD2-O 3.23Å; Y13-G105 VanDerWaalsContact CE1-C 3.47Å; Y13-G105 VanDerWaalsContact CE1-O 3.29Å; Y13-G105 WeakPolarHBondContact CE1-O 2.74Å; Y13-G105 VanDerWaalsContact CE2-CA 3.4Å; G105-C107 PolarHBondContact O-N 2.38Å
106	I	48.6	Very low	46.9	Very low	1 Å²	1	97.5 Å²	97.5	1%	0.005	49%	0.485	C	S	.	.			trans	-112.7	69	161.9	-57.9	-156.3	0	0	0	108.4	Y9 V10 K11 I12 Y13 I14	Y9-I106 WeakPolarHBondContact O-CG1 3.07Å; V10-I106 HydrophobicContact CB-CD1 3.82Å; V10-I106 HydrophobicContact CB-CG1 3.75Å; V10-I106 HydrophobicContact CG1-CD1 3.9Å; V10-I106 HydrophobicContact CG1-CG1 3.93Å; V10-I106 VanDerWaalsContact N-CG1 3.3Å; V10-I106 WeakPolarHBondContact O-CB 1.54Å; V10-I106 CovalentContact O-CD1 0.81Å; V10-I106 WeakPolarHBondContact O-CD1 3.3Å; V10-I106 WeakPolarHBondContact O-CG1 2.78Å; V10-I106 WeakPolarHBondContact O-CG2 0.96Å; K11-I106 HydrophobicContact CB-CD1 3.68Å; K11-I106 CovalentContact N-CD1 1.81Å; K11-I106 WeakPolarHBondContact O-CD1 2.3Å; I12-I106 VanDerWaalsContact C-CB 3.43Å; I12-I106 VanDerWaalsContact C-CG1 3.42Å; Y13-I106 CovalentContact C-CB 1.67Å; Y13-I106 CarbonylContact C-O 3.53Å; Y13-I106 CovalentContact CA-CB 1.77Å; Y13-I106 WeakPolarHBondContact CA-O 1.45Å; Y13-I106 CovalentContact CB-CA 1.46Å; Y13-I106 CovalentContact CB-N 1.09Å; Y13-I106 WeakPolarHBondContact CB-O 3.11Å; Y13-I106 CovalentContact CD1-C 1.07Å; Y13-I106 HydrophobicContact CD1-CB 2.87Å; Y13-I106 HydrophobicContact CD1-CG1 3.92Å; Y13-I106 HydrophobicContact CD1-CG2 3.45Å; Y13-I106 VanDerWaalsContact CD1-CG2 3.45Å; Y13-I106 WeakPolarHBondContact CD1-O 2.87Å; Y13-I106 HydrophobicContact CD2-CB 3.88Å; Y13-I106 WeakPolarHBondContact CD2-O 3.21Å; Y13-I106 HydrophobicContact CE1-CB 4.24Å; Y13-I106 WeakPolarHBondContact CE1-O 3.12Å; Y13-I106 WeakPolarHBondContact CE2-O 2.57Å; Y13-I106 CovalentContact CG-CA 1.35Å; Y13-I106 HydrophobicContact CG-CB 2.6Å; Y13-I106 HydrophobicContact CG-CG1 3.46Å; Y13-I106 VanDerWaalsContact CG-CG1 3.46Å; Y13-I106 HydrophobicContact CG-CG2 3.72Å; Y13-I106 CovalentContact CG-N 0.98Å; Y13-I106 CarbonylContact O-C 2.45Å; Y13-I106 WeakPolarHBondContact O-CA 2.53Å; Y13-I106 WeakPolarHBondContact O-CB 3.37Å; Y13-I106 WeakPolarHBondContact O-CG2 3.31Å; Y13-I106 CovalentContact O-O 1.76Å; I14-I106 HydrophobicContact CB-CB 3.82Å; I14-I106 HydrophobicContact CB-CD1 3.89Å; I14-I106 HydrophobicContact CB-CG1 4.47Å; I14-I106 HydrophobicContact CB-CG2 2.39Å; I14-I106 HydrophobicContact CD1-CD1 4.28Å; I14-I106 HydrophobicContact CD1-CG2 3.4Å; I14-I106 VanDerWaalsContact CD1-CG2 3.4Å; I14-I106 HydrophobicContact CG1-CB 3.52Å; I14-I106 HydrophobicContact CG1-CD1 3.81Å; I14-I106 HydrophobicContact CG1-CG1 4.09Å; I14-I106 HydrophobicContact CG1-CG2 2.05Å; I14-I106 HydrophobicContact CG2-CG2 3.89Å; I14-I106 VanDerWaalsContact N-CA 3.33Å; I14-I106 VanDerWaalsContact N-CD1 3.33Å; I14-I106 VanDerWaalsContact N-CG1 3.25Å; I14-I106 CovalentContact N-CG2 1.55Å; I14-I106 PolarHBondContact N-O 2.68Å
107	C	48.3	Very low	46.8	Very low	9 Å²	9	95.6 Å²	95.6	6%	0.061	48%	0.481	C	S	.	.			trans	-161.1	64.1	155.3	-130.6	0	0	0	0	111.3	Y13 R17 G105	Y13-C107 VanDerWaalsContact CD1-C 3.42Å; Y13-C107 HydrophobicContact CD1-CB 3.49Å; Y13-C107 VanDerWaalsContact CD1-CB 3.49Å; Y13-C107 CovalentContact CD1-N 1.12Å; Y13-C107 HydrophobicContact CD2-CB 3.92Å; Y13-C107 HydrophobicContact CE1-CB 2.73Å; Y13-C107 CovalentContact CE1-N 0.71Å; Y13-C107 WeakPolarHBondContact CE1-O 2.89Å; Y13-C107 HydrophobicContact CE2-CB 3.25Å; Y13-C107 HydrophobicContact CG-CB 4.03Å; Y13-C107 WeakPolarHBondContact OH-CA 3.44Å; Y13-C107 WeakPolarHBondContact OH-CB 3.06Å; Y13-C107 PolarHBondContact OH-N 3.25Å; Y13-C107 CovalentContact OH-O 1.37Å; Y13-C107 PolarHBondContact OH-O 3.05Å; R17-C107 WeakPolarHBondContact CA-SG 3.27Å; R17-C107 HydrophobicContact CB-CB 3.62Å; R17-C107 WeakPolarHBondContact CB-SG 2.89Å; R17-C107 CovalentContact CD-SG 1.54Å; R17-C107 WeakPolarHBondContact CD-SG 2.27Å; R17-C107 HydrophobicContact CG-CB 2.71Å; R17-C107 CovalentContact CG-SG 0.96Å; R17-C107 WeakPolarHBondContact CG-SG 3.43Å; R17-C107 VanDerWaalsContact CZ-C 3.4Å; R17-C107 VanDerWaalsContact CZ-CB 3.47Å; R17-C107 PolarHBondContact NE-O 3.42Å; R17-C107 CovalentContact NE-SG 1.89Å; R17-C107 PolarHBondContact NE-SG 3.44Å; R17-C107 PolarHBondContact NH2-O 2.53Å; G105-C107 PolarHBondContact O-N 2.38Å
108	K	44.3	Very low	46.5	Very low	197 Å²	197	99 Å²	99	86%	0.857	49%	0.493	S	S	*	.	S	Bend	trans	-117	0	153.5	-108.7	-166.6	171.6	169.2	0	109.6	Y13	Y13-K108 PolarHBondContact OH-N 3.28Å; Y13-K108 VanDerWaalsContact OH-N 3.13Å
109	R	44.5	Very low	46.2	Very low	226 Å²	226	97.5 Å²	97.5	85%	0.853	49%	0.494	S	S	*	.	S	Bend		0	5	0	-116.7	-173.4	144	163.9	-0.1	110
110	Q	45.3	Very low	46.4	Very low	51 Å²	51	97.9 Å²	97.9	24%	0.238	50%	0.496	C	S	.	.	S	Bend	trans	-101.3	0	174.5	-92.2	-177.5	32.7	0	0	109.9	R17 N18	R17-Q110 VanDerWaalsContact CA-CD 3.48Å; R17-Q110 HydrophobicContact CB-CB 4.1Å; R17-Q110 HydrophobicContact CB-CG 4Å; R17-Q110 VanDerWaalsContact CB-NE2 3.26Å; R17-Q110 HydrophobicContact CG-CB 4.19Å; R17-Q110 PolarHBondContact O-NE2 2.93Å; R17-Q110 CovalentContact O-OE1 1.36Å; R17-Q110 PolarHBondContact O-OE1 2.7Å; N18-Q110 PolarHBondContact ND2-NE2 3.42Å
111	A	40.5	Very low	46.6	Very low	48 Å²	48	97.2 Å²	97.2	40%	0.397	49%	0.491	S	S	.	.	S	Bend		0	0	0	0	0	0	0	0	109.9
112	Q	47.4	Very low	46.5	Very low	144 Å²	144	100.9 Å²	100.9	67%	0.673	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn		0	-2.4	0	-158.1	118.5	-21.3	0	0	110.2
113	A	46.1	Very low	46.7	Very low	75 Å²	75	109.5 Å²	109.5	62%	0.62	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	0	173.2	0	0	0	0	0	110.4
114	Y	43.7	Very low	47.2	Very low	168 Å²	168	108.4 Å²	108.4	66%	0.659	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn		0	0	0	-137.6	-95	0	0	0	110.6	D116 S117 E118	Y114-D116 PolarHBondContact O-N 3.14Å; Y114-S117 PolarHBondContact O-N 3.44Å; Y114-E118 WeakPolarHBondContact O-CB 2.76Å; Y114-E118 PolarHBondContact O-N 2.55Å
115	Q	47	Very low	47.5	Very low	130 Å²	130	107.5 Å²	107.5	61%	0.607	55%	0.549	S	S	*	.	H	α-helix		0	0	0	-110.7	179.5	-32.2	0	0	111.2	S119	Q115-S119 WeakPolarHBondContact O-CB 2.71Å; Q115-S119 PolarHBondContact O-OG 2.46Å
116	D	45.5	Very low	46.6	Very low	105 Å²	105	113.1 Å²	113.1	56%	0.561	57%	0.569	S	S	*	*	H	α-helix		0	0	0	-74.7	-32.3	0	0	0	110.6	Y114 S119 I120	Y114-D116 PolarHBondContact O-N 3.14Å; D116-S119 PolarHBondContact O-OG 3.15Å; D116-I120 WeakPolarHBondContact O-CG1 2.35Å
117	S	45.3	Very low	46.6	Very low	69 Å²	69	122.1 Å²	122.1	48%	0.483	63%	0.628	S	S	.	*	H	α-helix		0	-14.7	0	-98.1	0	0	0	0	111	Y114 I121	Y114-S117 PolarHBondContact O-N 3.44Å; S117-I121 WeakPolarHBondContact O-CB 3.33Å; S117-I121 WeakPolarHBondContact O-CG1 2.81Å; S117-I121 PolarHBondContact O-N 2.93Å
118	E	44.9	Very low	46.5	Very low	126 Å²	126	127.8 Å²	127.8	59%	0.589	66%	0.656	S	S	*	*	H	α-helix	trans	-91.5	-18.5	175.1	-160.5	176.7	101.3	0	0	110.3	Y114 T122	Y114-E118 WeakPolarHBondContact O-CB 2.76Å; Y114-E118 PolarHBondContact O-N 2.55Å; E118-T122 WeakPolarHBondContact O-CB 2.85Å; E118-T122 PolarHBondContact O-N 2.82Å; E118-T122 PolarHBondContact O-OG1 3.38Å
119	S	46	Very low	46.6	Very low	61 Å²	61	124.1 Å²	124.1	43%	0.427	65%	0.646	S	S	.	*	H	α-helix	trans	-85.7	0	173.4	60.2	0	0	0	0	111.1	Q115 D116 R123	Q115-S119 WeakPolarHBondContact O-CB 2.71Å; Q115-S119 PolarHBondContact O-OG 2.46Å; D116-S119 PolarHBondContact O-OG 3.15Å; S119-R123 WeakPolarHBondContact O-CG 3.42Å
120	I	51.2	Low	46.7	Very low	112 Å²	112	118.4 Å²	118.4	57%	0.574	63%	0.634	S	S	*	*	H	α-helix		0	-23.8	0	-64.9	-163.3	0	0	0	109.2	D116 L124	D116-I120 WeakPolarHBondContact O-CG1 2.35Å; I120-L124 PolarHBondContact O-N 2.79Å
121	I	51	Low	46.8	Very low	114 Å²	114	122.4 Å²	122.4	59%	0.585	66%	0.657	S	S	*	*	H	α-helix	trans	-92.4	0	-177.3	-67.3	-162.1	0	0	0	108.9	S117 C125	S117-I121 WeakPolarHBondContact O-CB 3.33Å; S117-I121 WeakPolarHBondContact O-CG1 2.81Å; S117-I121 PolarHBondContact O-N 2.93Å; I121-C125 PolarHBondContact O-N 2.83Å
122	T	49.5	Very low	47.2	Very low	97 Å²	97	127.1 Å²	127.1	60%	0.595	67%	0.674	S	S	*	*	H	α-helix		0	0	0	-58.7	0	0	0	0	110.3	E118	E118-T122 WeakPolarHBondContact O-CB 2.85Å; E118-T122 PolarHBondContact O-N 2.82Å; E118-T122 PolarHBondContact O-OG1 3.38Å
123	R	49.6	Very low	47.2	Very low	232 Å²	232	125.9 Å²	125.9	88%	0.875	67%	0.674	S	S	*	*	H	α-helix		0	-16.3	0	-75.5	-136.3	-175.2	-158.4	0.3	110.7	S119	S119-R123 WeakPolarHBondContact O-CG 3.42Å
124	L	53.9	Low	47.3	Very low	158 Å²	158	129.6 Å²	129.6	83%	0.827	68%	0.677	S	S	*	*	H	α-helix	trans	-102.7	0	-177.6	-132.8	94.6	0	0	0	110	I120	I120-L124 PolarHBondContact O-N 2.79Å
125	C	50.4	Low	47.6	Very low	98 Å²	98	126.6 Å²	126.6	66%	0.662	68%	0.679	S	S	*	*	S	Bend		0	31	0	-151.2	0	0	0	0	109.2	I121	I121-C125 PolarHBondContact O-N 2.83Å
126	L	36	Very low	47.6	Very low	154 Å²	154	126.3 Å²	126.3	81%	0.806	69%	0.685	S	S	*	*			trans	-148.9	0	140.4	-144.2	76.3	0	0	0	109.3
127	P	47.8	Very low	47.8	Very low	190 Å²	190	128.3 Å²	128.3	100%	1.234	70%	0.696	S	S	*	*				0	0	0	20.8	-15.4	0	0	0	112.1

Retrieved 127 of 127 residues in 193.7 ms (Link to these results)

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