Y567_STAA8 Loading...

UPF0382 membrane protein SAOUHSC_00567

AlphaFold DB , UniProt , Accession Q2G0J5, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene n/a, Length 122 aa.

						>Y567_STAA8|Q2G0J5
MKLFIILGALNAMMAVGTGAFGAHGLQGKISDHYLSVWEKATTYQMYHGLALLIIGVISGTTSINVNWAGWLIFAGIIFFSGSLYILVLTQIKVLGAITPIGGVLFIIGWIMLIIATFKFAG
					

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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)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	77.9	Confident	96.1	Very high	82 Å²	82	60.3 Å²	60.3	40%	0.404	31%	0.31	S	S	.	.				0	121	0	-73.4	-175.7	76.8	0	108.8	L3 F4 S59 N67	M1-L3 PolarHBondContact O-N 3.14Å; M1-L3 VanDerWaalsContact O-N 3.09Å; M1-F4 HydrophobicContact CB-CD2 4.12Å; M1-F4 HydrophobicContact CB-CE2 4.44Å; M1-F4 PolarHBondContact O-N 3.19Å; M1-F4 HydrophobicContact SD-CE2 4.12Å; M1-S59 PolarHBondContact N-OG 2.83Å; M1-N67 VanDerWaalsContact SD-CG 3.6Å; M1-N67 PolarHBondContact SD-OD1 3.49Å
2	K	92.5	Very high	96.4	Very high	181 Å²	181	56.5 Å²	56.5	79%	0.787	30%	0.295	S	S	*	.	H	α-helix	trans	-55.4	-28.6	-179.3	-65.5	-179.2	-179.7	179.5	113.3	F4 I5 I6	K2-F4 PolarHBondContact O-N 2.97Å; K2-I5 WeakPolarHBondContact O-CB 3.26Å; K2-I5 PolarHBondContact O-N 3.03Å; K2-I6 PolarHBondContact O-N 3.36Å; K2-I6 VanDerWaalsContact O-N 3.13Å
3	L	97.6	Very high	96.5	Very high	71 Å²	71	61.5 Å²	61.5	37%	0.372	32%	0.318	S	S	.	.	H	α-helix	trans	-59.6	-44.2	179.5	-176.7	59.2	0	0	113.4	M1 I5 I6 L7 W71	M1-L3 PolarHBondContact O-N 3.14Å; M1-L3 VanDerWaalsContact O-N 3.09Å; L3-I5 VanDerWaalsContact C-N 3.27Å; L3-I5 PolarHBondContact O-N 3.11Å; L3-I6 PolarHBondContact O-N 3Å; L3-I6 VanDerWaalsContact O-N 3.15Å; L3-L7 HydrophobicContact CD1-CD1 4.33Å; L3-L7 HydrophobicContact CD1-CG 4.15Å; L3-L7 HydrophobicContact CG-CD1 4.04Å; L3-L7 HydrophobicContact CG-CG 4.29Å; L3-L7 WeakPolarHBondContact O-CG 3.48Å; L3-L7 PolarHBondContact O-N 3.35Å; L3-W71 HydrophobicContact CD2-CH2 3.66Å; L3-W71 HydrophobicContact CD2-CZ2 3.88Å
4	F	98.3	Very high	96.7	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-67.1	-30.3	178.8	-65.1	-46.6	0	0	112.7	M1 K2 L7 G8 L52 I55 W71	M1-F4 HydrophobicContact CB-CD2 4.12Å; M1-F4 HydrophobicContact CB-CE2 4.44Å; M1-F4 PolarHBondContact O-N 3.19Å; M1-F4 HydrophobicContact SD-CE2 4.12Å; K2-F4 PolarHBondContact O-N 2.97Å; F4-L7 HydrophobicContact CD1-CD1 4.35Å; F4-G8 PolarHBondContact O-N 3.42Å; F4-L52 HydrophobicContact CD1-CD2 4.1Å; F4-I55 HydrophobicContact CB-CG2 4.47Å; F4-I55 HydrophobicContact CD2-CG2 3.67Å; F4-I55 HydrophobicContact CE2-CG2 4.11Å; F4-I55 HydrophobicContact CG-CG2 4.15Å; F4-W71 HydrophobicContact CE1-CD2 4.05Å; F4-W71 HydrophobicContact CE1-CE3 4.41Å; F4-W71 HydrophobicContact CE1-CG 4.32Å; F4-W71 HydrophobicContact CZ-CD2 4.35Å; F4-W71 HydrophobicContact CZ-CG 4.29Å; F4-W71 AromaticContact CZ-NE1 3.99Å
5	I	98.5	Very high	96.8	Very high	72 Å²	72	60.3 Å²	60.3	37%	0.369	31%	0.312	S	S	.	.	H	α-helix	trans	-63.3	-46.4	172.1	-58	179.3	0	0	109.7	K2 L3 G8 A9 L53	K2-I5 WeakPolarHBondContact O-CB 3.26Å; K2-I5 PolarHBondContact O-N 3.03Å; L3-I5 VanDerWaalsContact C-N 3.27Å; L3-I5 PolarHBondContact O-N 3.11Å; I5-G8 PolarHBondContact O-N 3.38Å; I5-A9 WeakPolarHBondContact O-CB 3.41Å; I5-A9 PolarHBondContact O-N 3.05Å; I5-L53 HydrophobicContact CB-CD2 4.5Å; I5-L53 HydrophobicContact CG2-CD2 3.93Å; I5-L53 WeakPolarHBondContact O-CD2 3.44Å
6	I	98.6	Very high	97	Very high	97 Å²	97	62.4 Å²	62.4	50%	0.497	33%	0.328	S	S	.	.	H	α-helix	trans	-62.2	-49.6	177.3	-65	167.3	0	0	110.6	K2 L3 G8 A9 L10	K2-I6 PolarHBondContact O-N 3.36Å; K2-I6 VanDerWaalsContact O-N 3.13Å; L3-I6 PolarHBondContact O-N 3Å; L3-I6 VanDerWaalsContact O-N 3.15Å; I6-G8 VanDerWaalsContact C-N 3.33Å; I6-G8 PolarHBondContact O-N 2.81Å; I6-A9 PolarHBondContact O-N 3.28Å; I6-L10 HydrophobicContact CG2-CD1 3.84Å; I6-L10 HydrophobicContact CG2-CG 4.3Å; I6-L10 WeakPolarHBondContact O-CB 3.29Å; I6-L10 VanDerWaalsContact O-CG 3.27Å; I6-L10 WeakPolarHBondContact O-CG 3.4Å; I6-L10 PolarHBondContact O-N 3.12Å
7	L	98.7	Very high	97.1	Very high	22 Å²	22	61.3 Å²	61.3	12%	0.115	33%	0.334	C	S	.	.	H	α-helix	trans	-62.6	-39.2	179.8	-66.9	177.7	0	0	112.1	L3 F4 N11 L52 W71 F74	L3-L7 HydrophobicContact CD1-CD1 4.33Å; L3-L7 HydrophobicContact CD1-CG 4.15Å; L3-L7 HydrophobicContact CG-CD1 4.04Å; L3-L7 HydrophobicContact CG-CG 4.29Å; L3-L7 WeakPolarHBondContact O-CG 3.48Å; L3-L7 PolarHBondContact O-N 3.35Å; F4-L7 HydrophobicContact CD1-CD1 4.35Å; L7-N11 WeakPolarHBondContact O-CB 3.21Å; L7-N11 PolarHBondContact O-N 3.31Å; L7-N11 PolarHBondContact O-ND2 2.66Å; L7-L52 HydrophobicContact CB-CD1 4.19Å; L7-W71 HydrophobicContact CD1-CZ3 4.2Å; L7-F74 HydrophobicContact CB-CD2 4.23Å; L7-F74 HydrophobicContact CB-CE2 4.29Å; L7-F74 HydrophobicContact CD1-CD1 4.21Å; L7-F74 HydrophobicContact CD1-CD2 4.11Å; L7-F74 HydrophobicContact CD1-CE1 4.32Å; L7-F74 HydrophobicContact CD1-CE2 4.24Å; L7-F74 HydrophobicContact CD1-CG 4.09Å; L7-F74 HydrophobicContact CD1-CZ 4.34Å; L7-F74 HydrophobicContact CD2-CD2 4.43Å; L7-F74 HydrophobicContact CD2-CE1 4.48Å; L7-F74 HydrophobicContact CD2-CE2 3.8Å; L7-F74 HydrophobicContact CD2-CZ 3.82Å; L7-F74 HydrophobicContact CG-CD2 4.49Å; L7-F74 HydrophobicContact CG-CE2 4.33Å
8	G	98.8	Very high	97.1	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-65.2	-46.5	176	0	0	0	0	112.3	F4 I5 I6 N11 A12 G49	F4-G8 PolarHBondContact O-N 3.42Å; I5-G8 PolarHBondContact O-N 3.38Å; I6-G8 VanDerWaalsContact C-N 3.33Å; I6-G8 PolarHBondContact O-N 2.81Å; G8-N11 PolarHBondContact O-N 3.08Å; G8-A12 WeakPolarHBondContact O-CB 3.35Å; G8-A12 PolarHBondContact O-N 2.91Å; G8-G49 WeakPolarHBondContact CA-O 3.29Å
9	A	98.8	Very high	97.2	Very high	48 Å²	48	57.6 Å²	57.6	40%	0.397	32%	0.322	S	S	.	.	H	α-helix	trans	-62.5	-44.2	176.7	0	0	0	0	112.1	I5 I6 N11 A12 M13 L53	I5-A9 WeakPolarHBondContact O-CB 3.41Å; I5-A9 PolarHBondContact O-N 3.05Å; I6-A9 PolarHBondContact O-N 3.28Å; A9-N11 VanDerWaalsContact C-N 3.35Å; A9-N11 PolarHBondContact O-N 2.66Å; A9-A12 PolarHBondContact O-N 3.31Å; A9-M13 VanDerWaalsContact O-CB 3.31Å; A9-M13 WeakPolarHBondContact O-CB 3.12Å; A9-M13 PolarHBondContact O-N 3.02Å; A9-L53 HydrophobicContact CB-CD2 4.17Å
10	L	98.8	Very high	97.3	Very high	78 Å²	78	57.3 Å²	57.3	41%	0.408	33%	0.327	S	S	.	.	H	α-helix	trans	-60	-44.7	175.7	-74.1	174.1	0	0	111.4	I6 M13 M14	I6-L10 HydrophobicContact CG2-CD1 3.84Å; I6-L10 HydrophobicContact CG2-CG 4.3Å; I6-L10 WeakPolarHBondContact O-CB 3.29Å; I6-L10 VanDerWaalsContact O-CG 3.27Å; I6-L10 WeakPolarHBondContact O-CG 3.4Å; I6-L10 PolarHBondContact O-N 3.12Å; L10-M13 HydrophobicContact CD2-CE 3.84Å; L10-M13 PolarHBondContact O-N 3.48Å; L10-M14 WeakPolarHBondContact O-CB 3.36Å; L10-M14 WeakPolarHBondContact O-CG 3.47Å; L10-M14 PolarHBondContact O-N 3.08Å
11	N	98.9	Very high	97.3	Very high	12 Å²	12	59.1 Å²	59.1	6%	0.064	33%	0.331	C	S	.	.	H	α-helix	trans	-68	-40.4	178.5	-83.9	-69.5	0	0	113	L7 G8 A9 M14 A15 Q45 I77	L7-N11 WeakPolarHBondContact O-CB 3.21Å; L7-N11 PolarHBondContact O-N 3.31Å; L7-N11 PolarHBondContact O-ND2 2.66Å; G8-N11 PolarHBondContact O-N 3.08Å; A9-N11 VanDerWaalsContact C-N 3.35Å; A9-N11 PolarHBondContact O-N 2.66Å; N11-M14 PolarHBondContact O-N 2.86Å; N11-A15 VanDerWaalsContact O-CB 3.29Å; N11-A15 WeakPolarHBondContact O-CB 3.35Å; N11-A15 PolarHBondContact O-N 2.94Å; N11-Q45 HydrophobicContact CB-CG 4.18Å; N11-Q45 PolarHBondContact OD1-NE2 3.2Å; N11-I77 HydrophobicContact CB-CD1 4.2Å; N11-I77 VanDerWaalsContact OD1-CG2 3.3Å; N11-I77 WeakPolarHBondContact OD1-CG2 3.2Å
12	A	98.9	Very high	98.3	Very high	15 Å²	15	55.3 Å²	55.3	12%	0.124	31%	0.313	C	S	.	.	H	α-helix	trans	-62.7	-44.8	174.8	0	0	0	0	111.2	G8 A9 A15 V16 M46	G8-A12 WeakPolarHBondContact O-CB 3.35Å; G8-A12 PolarHBondContact O-N 2.91Å; A9-A12 PolarHBondContact O-N 3.31Å; A12-A15 PolarHBondContact O-N 3.42Å; A12-V16 WeakPolarHBondContact O-CG2 3.38Å; A12-V16 PolarHBondContact O-N 3.31Å; A12-M46 HydrophobicContact CB-CE 4.3Å; A12-M46 HydrophobicContact CB-SD 3.85Å; A12-M46 WeakPolarHBondContact O-CE 3.46Å
13	M	98.8	Very high	98.5	Very high	121 Å²	121	49.1 Å²	49.1	60%	0.596	30%	0.296	S	S	*	.	H	α-helix	trans	-59.7	-47.1	174.7	179.4	-174.1	71.2	0	111.7	A9 L10 A15 V16 G17	A9-M13 VanDerWaalsContact O-CB 3.31Å; A9-M13 WeakPolarHBondContact O-CB 3.12Å; A9-M13 PolarHBondContact O-N 3.02Å; L10-M13 HydrophobicContact CD2-CE 3.84Å; L10-M13 PolarHBondContact O-N 3.48Å; M13-A15 VanDerWaalsContact C-N 3.33Å; M13-A15 PolarHBondContact O-N 3.23Å; M13-V16 PolarHBondContact O-N 3.19Å; M13-G17 PolarHBondContact O-N 3.01Å
14	M	98.7	Very high	98.5	Very high	101 Å²	101	52.9 Å²	52.9	50%	0.498	31%	0.311	S	S	.	.	H	α-helix	trans	-62.3	-40.2	176.7	-74.1	176.7	74.7	0	111.9	L10 N11 V16 G17 T18	L10-M14 WeakPolarHBondContact O-CB 3.36Å; L10-M14 WeakPolarHBondContact O-CG 3.47Å; L10-M14 PolarHBondContact O-N 3.08Å; N11-M14 PolarHBondContact O-N 2.86Å; M14-V16 VanDerWaalsContact C-N 3.34Å; M14-V16 PolarHBondContact O-N 3.39Å; M14-G17 PolarHBondContact O-N 3.45Å; M14-T18 WeakPolarHBondContact O-CB 3.49Å; M14-T18 WeakPolarHBondContact O-CG2 3.45Å; M14-T18 PolarHBondContact O-N 3.2Å; M14-T18 PolarHBondContact O-OG1 3.28Å
15	A	98.9	Very high	98.4	Very high	5 Å²	5	53.7 Å²	53.7	4%	0.041	32%	0.319	C	S	.	.	H	α-helix	trans	-63.5	-37.3	177.1	0	0	0	0	112.3	N11 A12 M13 T18 G19 Q45 M46	N11-A15 VanDerWaalsContact O-CB 3.29Å; N11-A15 WeakPolarHBondContact O-CB 3.35Å; N11-A15 PolarHBondContact O-N 2.94Å; A12-A15 PolarHBondContact O-N 3.42Å; M13-A15 VanDerWaalsContact C-N 3.33Å; M13-A15 PolarHBondContact O-N 3.23Å; A15-T18 WeakPolarHBondContact CA-OG1 3.41Å; A15-T18 PolarHBondContact O-OG1 3.18Å; A15-G19 WeakPolarHBondContact O-CA 3.46Å; A15-G19 PolarHBondContact O-N 3.47Å; A15-Q45 HydrophobicContact CB-CB 4.09Å; A15-Q45 HydrophobicContact CB-CG 4.04Å; A15-M46 HydrophobicContact CB-CB 3.84Å; A15-M46 HydrophobicContact CB-CE 4.05Å
16	V	98.8	Very high	98.3	Very high	94 Å²	94	50.9 Å²	50.9	57%	0.57	31%	0.305	S	S	*	.	H	α-helix	trans	-64.2	-50	172	174.4	0	0	0	110.8	A12 M13 M14 T18 G19 A20 M46	A12-V16 WeakPolarHBondContact O-CG2 3.38Å; A12-V16 PolarHBondContact O-N 3.31Å; M13-V16 PolarHBondContact O-N 3.19Å; M14-V16 VanDerWaalsContact C-N 3.34Å; M14-V16 PolarHBondContact O-N 3.39Å; V16-T18 PolarHBondContact O-N 2.96Å; V16-G19 PolarHBondContact O-N 2.96Å; V16-A20 PolarHBondContact O-N 3.24Å; V16-M46 HydrophobicContact CG2-CE 3.59Å
17	G	98.7	Very high	98.1	Very high	43 Å²	43	52.5 Å²	52.5	44%	0.443	31%	0.311	S	S	.	.	H	α-helix	trans	-62.3	-45	-178.5	0	0	0	0	112.8	M13 M14 A20 F21	M13-G17 PolarHBondContact O-N 3.01Å; M14-G17 PolarHBondContact O-N 3.45Å; G17-A20 PolarHBondContact O-N 2.8Å; G17-F21 WeakPolarHBondContact O-CB 3.39Å; G17-F21 PolarHBondContact O-N 3.28Å
18	T	98.6	Very high	98	Very high	28 Å²	28	55.4 Å²	55.4	17%	0.172	35%	0.346	C	S	.	.	H	α-helix	trans	-68.8	-36.1	175.1	50.7	0	0	0	111.8	M14 A15 V16 F21 G22 W38 T42 Y85	M14-T18 WeakPolarHBondContact O-CB 3.49Å; M14-T18 WeakPolarHBondContact O-CG2 3.45Å; M14-T18 PolarHBondContact O-N 3.2Å; M14-T18 PolarHBondContact O-OG1 3.28Å; A15-T18 WeakPolarHBondContact CA-OG1 3.41Å; A15-T18 PolarHBondContact O-OG1 3.18Å; V16-T18 PolarHBondContact O-N 2.96Å; T18-F21 PolarHBondContact O-N 2.96Å; T18-G22 PolarHBondContact O-N 2.94Å; T18-W38 HydrophobicContact CG2-CZ2 4.08Å; T18-W38 PolarHBondContact O-NE1 2.76Å; T18-T42 WeakPolarHBondContact OG1-CG2 3.49Å; T18-Y85 HydrophobicContact CG2-CE1 4.27Å; T18-Y85 HydrophobicContact CG2-CE2 4.43Å; T18-Y85 PolarHBondContact OG1-OH 3.38Å; T18-Y85 VanDerWaalsContact OG1-OH 3.06Å
19	G	98.6	Very high	97.9	Very high	25 Å²	25	63.2 Å²	63.2	26%	0.258	38%	0.38	S	S	.	.	H	α-helix	trans	-56.4	-51.4	171.9	0	0	0	0	112.4	A15 V16 F21 G22 A23	A15-G19 WeakPolarHBondContact O-CA 3.46Å; A15-G19 PolarHBondContact O-N 3.47Å; V16-G19 PolarHBondContact O-N 2.96Å; G19-F21 VanDerWaalsContact C-N 3.34Å; G19-F21 PolarHBondContact O-N 3.17Å; G19-G22 PolarHBondContact O-N 3.09Å; G19-A23 PolarHBondContact O-N 3.47Å
20	A	98.5	Very high	97.7	Very high	51 Å²	51	62.4 Å²	62.4	42%	0.421	37%	0.368	S	S	.	.	H	α-helix	trans	-62	-40.4	175.5	0	0	0	0	112.2	V16 G17 G22 A23 H24	V16-A20 PolarHBondContact O-N 3.24Å; G17-A20 PolarHBondContact O-N 2.8Å; A20-G22 VanDerWaalsContact C-N 3.32Å; A20-G22 PolarHBondContact O-N 3.35Å; A20-A23 PolarHBondContact O-N 3.44Å; A20-H24 PolarHBondContact O-CD2 3.42Å; A20-H24 PolarHBondContact O-N 3Å
21	F	98.3	Very high	97.6	Very high	95 Å²	95	61.6 Å²	61.6	42%	0.417	37%	0.369	S	S	.	.	I	π-helix	trans	-63	-37	175	-177.6	-101.1	0	0	112.5	G17 T18 G19 G25 L26 W38 L89	G17-F21 WeakPolarHBondContact O-CB 3.39Å; G17-F21 PolarHBondContact O-N 3.28Å; T18-F21 PolarHBondContact O-N 2.96Å; G19-F21 VanDerWaalsContact C-N 3.34Å; G19-F21 PolarHBondContact O-N 3.17Å; F21-G25 CarbonylContact O-C 3.41Å; F21-G25 WeakPolarHBondContact O-CA 3.37Å; F21-G25 PolarHBondContact O-N 2.98Å; F21-L26 HydrophobicContact CD1-CD1 4.02Å; F21-L26 HydrophobicContact CD1-CG 3.93Å; F21-L26 HydrophobicContact CE1-CD1 3.85Å; F21-L26 HydrophobicContact CE1-CD2 3.67Å; F21-L26 HydrophobicContact CE1-CG 3.59Å; F21-L26 HydrophobicContact CZ-CD2 4.03Å; F21-L26 HydrophobicContact CZ-CG 4.26Å; F21-L26 PolarHBondContact O-N 2.6Å; F21-W38 HydrophobicContact CB-CZ2 4.38Å; F21-W38 AromaticContact CD1-CH2 3.64Å; F21-W38 HydrophobicContact CD1-CH2 3.64Å; F21-W38 AromaticContact CD1-CZ2 3.47Å; F21-W38 HydrophobicContact CD1-CZ2 3.47Å; F21-W38 VanDerWaalsContact CD1-CZ2 3.47Å; F21-W38 HydrophobicContact CD1-CZ3 4.5Å; F21-W38 AromaticContact CE1-CH2 3.97Å; F21-W38 HydrophobicContact CE1-CH2 3.97Å; F21-W38 HydrophobicContact CE1-CZ2 4.24Å; F21-W38 HydrophobicContact CG-CZ2 4.38Å; F21-L89 HydrophobicContact CE1-CD2 4.27Å
22	G	98.2	Very high	97.5	Very high	3 Å²	3	67.5 Å²	67.5	3%	0.031	40%	0.401	C	S	.	.	I	π-helix	trans	-63.8	-52.2	172.6	0	0	0	0	112	T18 G19 A20 H24 L35 W38	T18-G22 PolarHBondContact O-N 2.94Å; G19-G22 PolarHBondContact O-N 3.09Å; A20-G22 VanDerWaalsContact C-N 3.32Å; A20-G22 PolarHBondContact O-N 3.35Å; G22-H24 VanDerWaalsContact C-N 3.33Å; G22-H24 PolarHBondContact O-N 2.84Å; G22-L35 WeakPolarHBondContact O-CD1 3.38Å; G22-W38 VanDerWaalsContact CA-CD1 3.5Å; G22-W38 VanDerWaalsContact CA-NE1 3.34Å
23	A	97.5	Very high	97.4	Very high	51 Å²	51	72.6 Å²	72.6	42%	0.421	42%	0.422	S	S	.	.	I	π-helix	trans	-64.6	-32.6	-175.1	0	0	0	0	113.9	G19 A20 Q27	G19-A23 PolarHBondContact O-N 3.47Å; A20-A23 PolarHBondContact O-N 3.44Å; A23-Q27 WeakPolarHBondContact O-CB 3.48Å; A23-Q27 PolarHBondContact O-OE1 3.46Å
24	H	96.9	Very high	97.3	Very high	150 Å²	150	68.7 Å²	68.7	69%	0.694	40%	0.401	S	S	*	.	I	π-helix	trans	-120	-38	-174.9	-56.4	-56	0	0	113.6	A20 G22	A20-H24 PolarHBondContact O-CD2 3.42Å; A20-H24 PolarHBondContact O-N 3Å; G22-H24 VanDerWaalsContact C-N 3.33Å; G22-H24 PolarHBondContact O-N 2.84Å
25	G	96.4	Very high	97.2	Very high	16 Å²	16	66.2 Å²	66.2	17%	0.165	39%	0.389	C	S	.	.	I	π-helix	trans	-79.5	-33.3	-175.2	0	0	0	0	114	F21 K29	F21-G25 CarbonylContact O-C 3.41Å; F21-G25 WeakPolarHBondContact O-CA 3.37Å; F21-G25 PolarHBondContact O-N 2.98Å; G25-K29 VanDerWaalsContact O-CD 3.32Å; G25-K29 WeakPolarHBondContact O-CD 3.32Å; G25-K29 WeakPolarHBondContact O-CE 3.33Å; G25-K29 PolarHBondContact O-NZ 3.43Å
26	L	96.9	Very high	97.2	Very high	13 Å²	13	68.8 Å²	68.8	7%	0.068	41%	0.407	C	S	.	.	I	π-helix	trans	-103.9	-15.7	-177.6	-65	178.3	0	0	114.1	F21 G28 K29 I30 L35 W38 V88 L89	F21-L26 HydrophobicContact CD1-CD1 4.02Å; F21-L26 HydrophobicContact CD1-CG 3.93Å; F21-L26 HydrophobicContact CE1-CD1 3.85Å; F21-L26 HydrophobicContact CE1-CD2 3.67Å; F21-L26 HydrophobicContact CE1-CG 3.59Å; F21-L26 HydrophobicContact CZ-CD2 4.03Å; F21-L26 HydrophobicContact CZ-CG 4.26Å; F21-L26 PolarHBondContact O-N 2.6Å; L26-G28 PolarHBondContact O-N 3.24Å; L26-K29 WeakPolarHBondContact O-CB 3.38Å; L26-K29 PolarHBondContact O-N 3.23Å; L26-I30 HydrophobicContact CB-CD1 3.86Å; L26-I30 HydrophobicContact CB-CG1 4.18Å; L26-I30 HydrophobicContact CD1-CD1 3.95Å; L26-I30 HydrophobicContact CG-CD1 4.35Å; L26-I30 PolarHBondContact O-N 3.49Å; L26-L35 HydrophobicContact CB-CD1 4.35Å; L26-W38 HydrophobicContact CD1-CD2 3.51Å; L26-W38 HydrophobicContact CD1-CE3 3.51Å; L26-W38 HydrophobicContact CD1-CG 3.97Å; L26-W38 HydrophobicContact CD1-CH2 4.35Å; L26-W38 HydrophobicContact CD1-CZ2 4.36Å; L26-W38 HydrophobicContact CD1-CZ3 3.94Å; L26-V88 HydrophobicContact CD1-CG1 4.12Å; L26-L89 HydrophobicContact CD2-CD2 4.39Å
27	Q	94.2	Very high	97.1	Very high	132 Å²	132	65.2 Å²	65.2	62%	0.617	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	127.5	178.9	-170.4	178.6	27.9	0	111.1	A23 K29	A23-Q27 WeakPolarHBondContact O-CB 3.48Å; A23-Q27 PolarHBondContact O-OE1 3.46Å; Q27-K29 PolarHBondContact O-N 3.48Å
28	G	95.4	Very high	97.1	Very high	83 Å²	83	63.7 Å²	63.7	86%	0.856	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.5	-1.7	-178.1	0	0	0	0	115.6	L26	L26-G28 PolarHBondContact O-N 3.24Å
29	K	96.6	Very high	97.1	Very high	163 Å²	163	68.3 Å²	68.3	71%	0.709	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	-21.7	178.2	-60.2	-174.3	-171.3	161	113.7	G25 L26 Q27	G25-K29 VanDerWaalsContact O-CD 3.32Å; G25-K29 WeakPolarHBondContact O-CD 3.32Å; G25-K29 WeakPolarHBondContact O-CE 3.33Å; G25-K29 PolarHBondContact O-NZ 3.43Å; L26-K29 WeakPolarHBondContact O-CB 3.38Å; L26-K29 PolarHBondContact O-N 3.23Å; Q27-K29 PolarHBondContact O-N 3.48Å
30	I	95.6	Very high	97.1	Very high	31 Å²	31	72.5 Å²	72.5	16%	0.159	40%	0.397	C	S	.	.	S	Bend	trans	-127.8	158.1	176.9	62.1	176.9	0	0	109.2	L26 L35 V88	L26-I30 HydrophobicContact CB-CD1 3.86Å; L26-I30 HydrophobicContact CB-CG1 4.18Å; L26-I30 HydrophobicContact CD1-CD1 3.95Å; L26-I30 HydrophobicContact CG-CD1 4.35Å; L26-I30 PolarHBondContact O-N 3.49Å; I30-L35 HydrophobicContact CD1-CB 4.21Å; I30-L35 HydrophobicContact CD1-CD1 4.32Å; I30-L35 HydrophobicContact CG1-CB 4.34Å; I30-V88 HydrophobicContact CD1-CG1 3.56Å
31	S	96.5	Very high	97.1	Very high	61 Å²	61	70 Å²	70	43%	0.427	38%	0.377	S	S	.	.			trans	-61.4	153.8	174.6	66.1	0	0	0	111.6	H33 Y34 L35	S31-H33 PolarHBondContact O-N 3.15Å; S31-H33 VanDerWaalsContact O-N 3.11Å; S31-Y34 PolarHBondContact O-N 3.25Å; S31-Y34 VanDerWaalsContact OG-CD2 3.26Å; S31-Y34 WeakPolarHBondContact OG-CD2 3.14Å; S31-Y34 PolarHBondContact OG-N 3.03Å; S31-L35 PolarHBondContact O-N 3.36Å
32	D	96.7	Very high	97.1	Very high	137 Å²	137	66.3 Å²	66.3	73%	0.733	36%	0.362	S	S	*	.	H	α-helix	trans	-53.1	-34.9	174.7	-60.4	-22.5	0	0	113.2	L35 S36	D32-L35 PolarHBondContact O-N 3.31Å; D32-S36 PolarHBondContact O-N 3.11Å
33	H	96	Very high	97.2	Very high	122 Å²	122	68.6 Å²	68.6	57%	0.565	38%	0.375	S	S	*	.	H	α-helix	trans	-56.9	-55.8	173.7	176.2	69.5	0	0	111.6	S31 L35 S36 V37	S31-H33 PolarHBondContact O-N 3.15Å; S31-H33 VanDerWaalsContact O-N 3.11Å; H33-L35 VanDerWaalsContact C-N 3.29Å; H33-L35 PolarHBondContact O-N 2.99Å; H33-S36 PolarHBondContact O-N 3.35Å; H33-S36 PolarHBondContact O-OG 2.99Å; H33-V37 WeakPolarHBondContact O-CG2 3.27Å; H33-V37 PolarHBondContact O-N 2.89Å
34	Y	96.6	Very high	97.2	Very high	39 Å²	39	70.9 Å²	70.9	15%	0.153	37%	0.374	C	S	.	.	H	α-helix	trans	-65.2	-30.7	178.1	-76.2	-63.9	0	0	113.1	S31 V37 W38 L87 V88 Q91	S31-Y34 PolarHBondContact O-N 3.25Å; S31-Y34 VanDerWaalsContact OG-CD2 3.26Å; S31-Y34 WeakPolarHBondContact OG-CD2 3.14Å; S31-Y34 PolarHBondContact OG-N 3.03Å; Y34-V37 PolarHBondContact O-N 3.23Å; Y34-W38 PolarHBondContact O-N 3.1Å; Y34-L87 HydrophobicContact CE1-CG 4.36Å; Y34-V88 HydrophobicContact CD1-CG2 4.11Å; Y34-V88 WeakPolarHBondContact O-CG2 3.26Å; Y34-Q91 HydrophobicContact CE2-CG 4.43Å
35	L	98	Very high	97.3	Very high	48 Å²	48	64 Å²	64	25%	0.251	34%	0.342	S	S	.	.	H	α-helix	trans	-64.7	-42.8	173	-170.3	63	0	0	111.4	G22 L26 I30 S31 D32 H33 V37 W38 E39	G22-L35 WeakPolarHBondContact O-CD1 3.38Å; L26-L35 HydrophobicContact CB-CD1 4.35Å; I30-L35 HydrophobicContact CD1-CB 4.21Å; I30-L35 HydrophobicContact CD1-CD1 4.32Å; I30-L35 HydrophobicContact CG1-CB 4.34Å; S31-L35 PolarHBondContact O-N 3.36Å; D32-L35 PolarHBondContact O-N 3.31Å; H33-L35 VanDerWaalsContact C-N 3.29Å; H33-L35 PolarHBondContact O-N 2.99Å; L35-V37 VanDerWaalsContact C-N 3.3Å; L35-V37 PolarHBondContact O-N 3.33Å; L35-W38 WeakPolarHBondContact O-CB 3.41Å; L35-W38 PolarHBondContact O-N 2.95Å; L35-E39 PolarHBondContact O-N 3.24Å
36	S	98	Very high	97.4	Very high	59 Å²	59	65.8 Å²	65.8	41%	0.413	35%	0.346	S	S	.	.	H	α-helix	trans	-65.4	-32.7	174.5	78.3	0	0	0	112.9	D32 H33 K40	D32-S36 PolarHBondContact O-N 3.11Å; H33-S36 PolarHBondContact O-N 3.35Å; H33-S36 PolarHBondContact O-OG 2.99Å; S36-K40 WeakPolarHBondContact O-CB 3.4Å; S36-K40 PolarHBondContact O-N 3.06Å
37	V	97.8	Very high	97.5	Very high	20 Å²	20	72.7 Å²	72.7	12%	0.121	37%	0.373	C	S	.	.	H	α-helix	trans	-67.2	-42.5	174.2	173.4	0	0	0	110.6	H33 Y34 L35 K40 A41 L84 L87 V88	H33-V37 WeakPolarHBondContact O-CG2 3.27Å; H33-V37 PolarHBondContact O-N 2.89Å; Y34-V37 PolarHBondContact O-N 3.23Å; L35-V37 VanDerWaalsContact C-N 3.3Å; L35-V37 PolarHBondContact O-N 3.33Å; V37-K40 PolarHBondContact O-N 3Å; V37-A41 PolarHBondContact O-N 2.85Å; V37-A41 VanDerWaalsContact O-N 3.1Å; V37-L84 HydrophobicContact CG1-CB 4.16Å; V37-L84 HydrophobicContact CG1-CD1 4.47Å; V37-L84 HydrophobicContact CG1-CD2 3.8Å; V37-L84 HydrophobicContact CG1-CG 4.35Å; V37-L87 HydrophobicContact CG1-CD2 4.31Å; V37-V88 HydrophobicContact CB-CG2 4Å; V37-V88 HydrophobicContact CG1-CG2 3.77Å
38	W	98.4	Very high	97.8	Very high	11 Å²	11	67.2 Å²	67.2	4%	0.042	35%	0.347	C	S	.	.	H	α-helix	trans	-60.1	-50	174.5	-176.8	-83.2	0	0	111.4	T18 F21 G22 L26 Y34 L35 K40 A41 T42 Y85 V88 L89	T18-W38 HydrophobicContact CG2-CZ2 4.08Å; T18-W38 PolarHBondContact O-NE1 2.76Å; F21-W38 HydrophobicContact CB-CZ2 4.38Å; F21-W38 AromaticContact CD1-CH2 3.64Å; F21-W38 HydrophobicContact CD1-CH2 3.64Å; F21-W38 AromaticContact CD1-CZ2 3.47Å; F21-W38 HydrophobicContact CD1-CZ2 3.47Å; F21-W38 VanDerWaalsContact CD1-CZ2 3.47Å; F21-W38 HydrophobicContact CD1-CZ3 4.5Å; F21-W38 AromaticContact CE1-CH2 3.97Å; F21-W38 HydrophobicContact CE1-CH2 3.97Å; F21-W38 HydrophobicContact CE1-CZ2 4.24Å; F21-W38 HydrophobicContact CG-CZ2 4.38Å; G22-W38 VanDerWaalsContact CA-CD1 3.5Å; G22-W38 VanDerWaalsContact CA-NE1 3.34Å; L26-W38 HydrophobicContact CD1-CD2 3.51Å; L26-W38 HydrophobicContact CD1-CE3 3.51Å; L26-W38 HydrophobicContact CD1-CG 3.97Å; L26-W38 HydrophobicContact CD1-CH2 4.35Å; L26-W38 HydrophobicContact CD1-CZ2 4.36Å; L26-W38 HydrophobicContact CD1-CZ3 3.94Å; Y34-W38 PolarHBondContact O-N 3.1Å; L35-W38 WeakPolarHBondContact O-CB 3.41Å; L35-W38 PolarHBondContact O-N 2.95Å; W38-K40 VanDerWaalsContact C-N 3.29Å; W38-K40 PolarHBondContact O-N 2.88Å; W38-A41 WeakPolarHBondContact O-CA 3.45Å; W38-A41 VanDerWaalsContact O-CB 3.28Å; W38-A41 WeakPolarHBondContact O-CB 3.46Å; W38-A41 PolarHBondContact O-N 2.96Å; W38-T42 WeakPolarHBondContact O-CG2 3.42Å; W38-T42 PolarHBondContact O-N 3.36Å; W38-Y85 AromaticContact CD2-CD1 3.88Å; W38-Y85 HydrophobicContact CD2-CD1 3.88Å; W38-Y85 HydrophobicContact CD2-CE1 4.17Å; W38-Y85 AromaticContact CE2-CD1 3.95Å; W38-Y85 AromaticContact CE2-CE1 3.95Å; W38-Y85 AromaticContact CE3-CD1 3.69Å; W38-Y85 HydrophobicContact CE3-CD1 3.69Å; W38-Y85 HydrophobicContact CE3-CE1 4.43Å; W38-Y85 AromaticContact CH2-CD1 3.71Å; W38-Y85 HydrophobicContact CH2-CD1 3.71Å; W38-Y85 HydrophobicContact CH2-CE1 4.31Å; W38-Y85 HydrophobicContact CH2-CG 4.37Å; W38-Y85 AromaticContact CZ2-CD1 3.88Å; W38-Y85 HydrophobicContact CZ2-CD1 3.88Å; W38-Y85 HydrophobicContact CZ2-CE1 4.02Å; W38-Y85 AromaticContact CZ3-CD1 3.61Å; W38-Y85 HydrophobicContact CZ3-CD1 3.61Å; W38-Y85 HydrophobicContact CZ3-CG 4.26Å; W38-V88 HydrophobicContact CB-CG1 4.44Å; W38-V88 HydrophobicContact CB-CG2 4.19Å; W38-V88 HydrophobicContact CE3-CB 3.93Å; W38-V88 HydrophobicContact CE3-CG1 3.81Å; W38-V88 HydrophobicContact CE3-CG2 4.42Å; W38-L89 HydrophobicContact CZ3-CD1 4.19Å; W38-L89 HydrophobicContact CZ3-CD2 4.16Å; W38-L89 HydrophobicContact CZ3-CG 3.98Å
39	E	98.4	Very high	97.9	Very high	124 Å²	124	63.2 Å²	63.2	58%	0.579	31%	0.306	S	S	*	.	H	α-helix	trans	-58	-41.6	177.6	-174	178.3	-169.4	0	111.7	L35 A41 T42 T43	L35-E39 PolarHBondContact O-N 3.24Å; E39-A41 VanDerWaalsContact C-N 3.29Å; E39-A41 PolarHBondContact O-N 3.11Å; E39-T42 PolarHBondContact O-N 3.31Å; E39-T42 PolarHBondContact O-OG1 3.42Å; E39-T43 WeakPolarHBondContact O-CB 3.45Å; E39-T43 PolarHBondContact O-N 3.03Å; E39-T43 PolarHBondContact O-OG1 2.75Å
40	K	98.4	Very high	98	Very high	113 Å²	113	59 Å²	59	49%	0.491	29%	0.291	S	S	.	.	H	α-helix	trans	-59.6	-40.6	174.6	-172.3	173.3	-67.2	177.7	112.3	S36 V37 W38 Y44 F80 L84	S36-K40 WeakPolarHBondContact O-CB 3.4Å; S36-K40 PolarHBondContact O-N 3.06Å; V37-K40 PolarHBondContact O-N 3Å; W38-K40 VanDerWaalsContact C-N 3.29Å; W38-K40 PolarHBondContact O-N 2.88Å; K40-Y44 HydrophobicContact CG-CD2 3.94Å; K40-Y44 HydrophobicContact CG-CE2 3.97Å; K40-Y44 WeakPolarHBondContact O-CB 3.39Å; K40-Y44 VanDerWaalsContact O-CD2 3.27Å; K40-Y44 WeakPolarHBondContact O-CD2 3.34Å; K40-Y44 PolarHBondContact O-N 3.28Å; K40-F80 HydrophobicContact CG-CE1 4.42Å; K40-L84 HydrophobicContact CG-CD1 4.46Å
41	A	98.6	Very high	98.2	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62.3	-45.1	177.1	0	0	0	0	111.8	V37 W38 E39 Q45 S81 L84 Y85	V37-A41 PolarHBondContact O-N 2.85Å; V37-A41 VanDerWaalsContact O-N 3.1Å; W38-A41 WeakPolarHBondContact O-CA 3.45Å; W38-A41 VanDerWaalsContact O-CB 3.28Å; W38-A41 WeakPolarHBondContact O-CB 3.46Å; W38-A41 PolarHBondContact O-N 2.96Å; E39-A41 VanDerWaalsContact C-N 3.29Å; E39-A41 PolarHBondContact O-N 3.11Å; A41-Q45 VanDerWaalsContact O-CB 3.3Å; A41-Q45 WeakPolarHBondContact O-CB 3.32Å; A41-Q45 PolarHBondContact O-N 3.46Å; A41-S81 WeakPolarHBondContact O-CB 3.42Å; A41-S81 PolarHBondContact O-OG 3.04Å; A41-L84 HydrophobicContact CB-CB 3.6Å; A41-L84 HydrophobicContact CB-CD1 4.12Å; A41-Y85 HydrophobicContact CB-CD1 3.72Å; A41-Y85 HydrophobicContact CB-CE1 3.44Å; A41-Y85 VanDerWaalsContact CB-CE1 3.44Å; A41-Y85 HydrophobicContact CB-CE2 4.36Å; A41-Y85 HydrophobicContact CB-CG 4.3Å
42	T	98.8	Very high	98.3	Very high	16 Å²	16	54.8 Å²	54.8	10%	0.098	27%	0.265	C	S	.	.	H	α-helix	trans	-67.4	-45.3	179.6	64	0	0	0	111.9	T18 W38 E39 Q45 M46 Y85	T18-T42 WeakPolarHBondContact OG1-CG2 3.49Å; W38-T42 WeakPolarHBondContact O-CG2 3.42Å; W38-T42 PolarHBondContact O-N 3.36Å; E39-T42 PolarHBondContact O-N 3.31Å; E39-T42 PolarHBondContact O-OG1 3.42Å; T42-Q45 PolarHBondContact O-N 2.96Å; T42-M46 WeakPolarHBondContact O-CB 3.28Å; T42-M46 PolarHBondContact O-N 2.92Å; T42-Y85 WeakPolarHBondContact CA-OH 3.25Å; T42-Y85 HydrophobicContact CG2-CE1 3.64Å; T42-Y85 WeakPolarHBondContact CG2-OH 3.32Å; T42-Y85 PolarHBondContact N-OH 2.89Å
43	T	98.8	Very high	98.4	Very high	52 Å²	52	50.7 Å²	50.7	32%	0.319	24%	0.242	S	C	.	.	H	α-helix	trans	-60.4	-48.3	177.4	-60	0	0	0	111.6	E39 Q45 M46 Y47	E39-T43 WeakPolarHBondContact O-CB 3.45Å; E39-T43 PolarHBondContact O-N 3.03Å; E39-T43 PolarHBondContact O-OG1 2.75Å; T43-Q45 PolarHBondContact O-N 3.41Å; T43-M46 PolarHBondContact O-N 3Å; T43-Y47 HydrophobicContact CG2-CD2 3.67Å; T43-Y47 HydrophobicContact CG2-CE2 3.36Å; T43-Y47 VanDerWaalsContact O-CD2 3.24Å; T43-Y47 WeakPolarHBondContact O-CD2 3.47Å; T43-Y47 PolarHBondContact O-N 2.94Å
44	Y	98.8	Very high	98.5	Very high	98 Å²	98	49.7 Å²	49.7	38%	0.384	24%	0.24	S	C	.	.	H	α-helix	trans	-67.9	-36.2	179.3	-85.9	-114.6	0	0	112.2	K40 H48 F80 F106	K40-Y44 HydrophobicContact CG-CD2 3.94Å; K40-Y44 HydrophobicContact CG-CE2 3.97Å; K40-Y44 WeakPolarHBondContact O-CB 3.39Å; K40-Y44 VanDerWaalsContact O-CD2 3.27Å; K40-Y44 WeakPolarHBondContact O-CD2 3.34Å; K40-Y44 PolarHBondContact O-N 3.28Å; Y44-H48 AromaticContact CD1-CE1 3.94Å; Y44-H48 WeakPolarHBondContact O-CB 3.05Å; Y44-H48 PolarHBondContact O-N 2.78Å; Y44-H48 VanDerWaalsContact O-N 3.09Å; Y44-H48 PolarHBondContact O-ND1 3.36Å; Y44-F80 HydrophobicContact CD1-CD1 4.04Å; Y44-F80 AromaticContact CD1-CE1 3.52Å; Y44-F80 HydrophobicContact CD1-CE1 3.52Å; Y44-F80 HydrophobicContact CD1-CE2 4.48Å; Y44-F80 AromaticContact CD1-CZ 3.77Å; Y44-F80 HydrophobicContact CD1-CZ 3.77Å; Y44-F80 HydrophobicContact CD2-CE1 4.04Å; Y44-F80 HydrophobicContact CD2-CZ 4.47Å; Y44-F80 HydrophobicContact CE1-CE1 4.13Å; Y44-F80 AromaticContact CE1-CZ 3.91Å; Y44-F80 HydrophobicContact CE1-CZ 3.91Å; Y44-F80 HydrophobicContact CG-CD1 4.07Å; Y44-F80 AromaticContact CG-CE1 3.46Å; Y44-F80 HydrophobicContact CG-CE1 3.46Å; Y44-F80 VanDerWaalsContact CG-CE1 3.46Å; Y44-F80 HydrophobicContact CG-CZ 4.07Å; Y44-F106 HydrophobicContact CD1-CD2 4.46Å; Y44-F106 HydrophobicContact CD1-CE2 4.09Å
45	Q	98.9	Very high	98.6	Very high	5 Å²	5	47.9 Å²	47.9	2%	0.023	23%	0.233	C	C	.	.	H	α-helix	trans	-63.7	-42.1	174.6	-175.4	173.5	12.9	0	111.2	N11 A15 A41 T42 T43 G49 I77 S81 Y85	N11-Q45 HydrophobicContact CB-CG 4.18Å; N11-Q45 PolarHBondContact OD1-NE2 3.2Å; A15-Q45 HydrophobicContact CB-CB 4.09Å; A15-Q45 HydrophobicContact CB-CG 4.04Å; A41-Q45 VanDerWaalsContact O-CB 3.3Å; A41-Q45 WeakPolarHBondContact O-CB 3.32Å; A41-Q45 PolarHBondContact O-N 3.46Å; T42-Q45 PolarHBondContact O-N 2.96Å; T43-Q45 PolarHBondContact O-N 3.41Å; Q45-G49 WeakPolarHBondContact O-CA 3.5Å; Q45-G49 PolarHBondContact O-N 2.97Å; Q45-I77 HydrophobicContact CB-CG2 4.39Å; Q45-I77 HydrophobicContact CG-CG2 3.8Å; Q45-S81 PolarHBondContact N-OG 3.27Å; Q45-Y85 PolarHBondContact OE1-OH 3.39Å
46	M	98.9	Very high	98.6	Very high	54 Å²	54	45.6 Å²	45.6	27%	0.266	22%	0.222	S	C	.	.	H	α-helix	trans	-61.7	-55.3	176.9	178.3	57.2	77.9	0	111	A12 A15 V16 T42 T43 H48 G49 L50	A12-M46 HydrophobicContact CB-CE 4.3Å; A12-M46 HydrophobicContact CB-SD 3.85Å; A12-M46 WeakPolarHBondContact O-CE 3.46Å; A15-M46 HydrophobicContact CB-CB 3.84Å; A15-M46 HydrophobicContact CB-CE 4.05Å; V16-M46 HydrophobicContact CG2-CE 3.59Å; T42-M46 WeakPolarHBondContact O-CB 3.28Å; T42-M46 PolarHBondContact O-N 2.92Å; T43-M46 PolarHBondContact O-N 3Å; M46-H48 VanDerWaalsContact C-N 3.33Å; M46-H48 PolarHBondContact O-N 3.5Å; M46-G49 PolarHBondContact O-N 3.45Å; M46-G49 VanDerWaalsContact O-N 3.16Å; M46-L50 HydrophobicContact CG-CD1 4.33Å; M46-L50 WeakPolarHBondContact O-CG 3.05Å; M46-L50 PolarHBondContact O-N 3.22Å; M46-L50 HydrophobicContact SD-CD1 4.16Å; M46-L50 HydrophobicContact SD-CD2 4.31Å; M46-L50 HydrophobicContact SD-CG 4.01Å
47	Y	98.9	Very high	98.6	Very high	158 Å²	158	46.5 Å²	46.5	62%	0.62	22%	0.224	S	C	*	.	H	α-helix	trans	-59.1	-43.2	-177.2	-75.8	-54.5	0	0	112.8	T43 L50 A51	T43-Y47 HydrophobicContact CG2-CD2 3.67Å; T43-Y47 HydrophobicContact CG2-CE2 3.36Å; T43-Y47 VanDerWaalsContact O-CD2 3.24Å; T43-Y47 WeakPolarHBondContact O-CD2 3.47Å; T43-Y47 PolarHBondContact O-N 2.94Å; Y47-L50 PolarHBondContact O-N 3.46Å; Y47-A51 PolarHBondContact O-N 3.04Å
48	H	98.9	Very high	98.6	Very high	17 Å²	17	47.5 Å²	47.5	8%	0.079	23%	0.228	C	C	.	.	H	α-helix	trans	-77.8	-26.8	179.4	-67.7	92.5	0	0	112.5	Y44 M46 A51 L52 I73 I77 F106 W110	Y44-H48 AromaticContact CD1-CE1 3.94Å; Y44-H48 WeakPolarHBondContact O-CB 3.05Å; Y44-H48 PolarHBondContact O-N 2.78Å; Y44-H48 VanDerWaalsContact O-N 3.09Å; Y44-H48 PolarHBondContact O-ND1 3.36Å; M46-H48 VanDerWaalsContact C-N 3.33Å; M46-H48 PolarHBondContact O-N 3.5Å; H48-A51 WeakPolarHBondContact O-CB 3.24Å; H48-A51 PolarHBondContact O-N 3.45Å; H48-L52 WeakPolarHBondContact O-CG 3.34Å; H48-L52 PolarHBondContact O-N 3.32Å; H48-I73 HydrophobicContact CB-CG2 3.82Å; H48-I77 HydrophobicContact CB-CD1 3.79Å; H48-I77 HydrophobicContact CB-CG1 3.61Å; H48-F106 HydrophobicContact CB-CD1 4.49Å; H48-F106 HydrophobicContact CB-CE1 3.81Å; H48-F106 HydrophobicContact CB-CZ 4.22Å; H48-F106 AromaticContact CD2-CD1 3.29Å; H48-F106 WeakPolarHBondContact CD2-CD1 3.2Å; H48-F106 AromaticContact CD2-CE1 3.47Å; H48-F106 VanDerWaalsContact CD2-CE1 3.47Å; H48-F106 WeakPolarHBondContact CD2-CE1 3.4Å; H48-F106 AromaticContact CD2-CG 3.78Å; H48-F106 AromaticContact CE1-CD2 3.73Å; H48-F106 AromaticContact CE1-CE2 3.8Å; H48-F106 AromaticContact CE1-CG 3.84Å; H48-F106 AromaticContact CE1-CZ 3.96Å; H48-F106 AromaticContact CG-CD1 3.74Å; H48-F106 AromaticContact CG-CE1 3.38Å; H48-F106 AromaticContact CG-CZ 3.72Å; H48-F106 AromaticContact ND1-CE1 3.78Å; H48-F106 AromaticContact ND1-CE2 3.88Å; H48-F106 AromaticContact ND1-CZ 3.63Å; H48-F106 AromaticContact NE2-CD1 3.5Å; H48-F106 WeakPolarHBondContact NE2-CD1 3.09Å; H48-F106 AromaticContact NE2-CD2 3.83Å; H48-F106 AromaticContact NE2-CE1 3.92Å; H48-F106 AromaticContact NE2-CG 3.44Å; H48-F106 WeakPolarHBondContact NE2-CG 3.27Å; H48-W110 AromaticContact CD2-NE1 3.85Å; H48-W110 AromaticContact NE2-NE1 3.45Å; H48-W110 PolarHBondContact NE2-NE1 3.23Å
49	G	98.9	Very high	98.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.8	-44.1	167.6	0	0	0	0	112	G8 Q45 M46 A51 L52 L53	G8-G49 WeakPolarHBondContact CA-O 3.29Å; Q45-G49 WeakPolarHBondContact O-CA 3.5Å; Q45-G49 PolarHBondContact O-N 2.97Å; M46-G49 PolarHBondContact O-N 3.45Å; M46-G49 VanDerWaalsContact O-N 3.16Å; G49-A51 VanDerWaalsContact C-N 3.35Å; G49-L52 WeakPolarHBondContact O-CB 3.33Å; G49-L52 PolarHBondContact O-N 2.96Å; G49-L53 PolarHBondContact O-N 3.42Å; G49-L53 VanDerWaalsContact O-N 3.15Å
50	L	98.9	Very high	98.3	Very high	73 Å²	73	45.3 Å²	45.3	38%	0.382	24%	0.239	S	C	.	.	H	α-helix	trans	-65.3	-37.7	172.5	-64	179.7	0	0	111.9	M46 Y47 L52 L53 I54	M46-L50 HydrophobicContact CG-CD1 4.33Å; M46-L50 WeakPolarHBondContact O-CG 3.05Å; M46-L50 PolarHBondContact O-N 3.22Å; M46-L50 HydrophobicContact SD-CD1 4.16Å; M46-L50 HydrophobicContact SD-CD2 4.31Å; M46-L50 HydrophobicContact SD-CG 4.01Å; Y47-L50 PolarHBondContact O-N 3.46Å; L50-L52 VanDerWaalsContact C-N 3.3Å; L50-L52 PolarHBondContact O-N 3.46Å; L50-L53 HydrophobicContact CD2-CD1 3.88Å; L50-L53 WeakPolarHBondContact O-CB 3.27Å; L50-L53 PolarHBondContact O-N 2.99Å; L50-L53 VanDerWaalsContact O-N 3.15Å; L50-I54 WeakPolarHBondContact O-CG1 3.42Å; L50-I54 PolarHBondContact O-N 3.18Å
51	A	98.8	Very high	98.2	Very high	5 Å²	5	45 Å²	45	4%	0.041	25%	0.246	C	C	.	.	H	α-helix	trans	-60	-39.1	173.1	0	0	0	0	112	Y47 H48 G49 I54 I55 I73 W110	Y47-A51 PolarHBondContact O-N 3.04Å; H48-A51 WeakPolarHBondContact O-CB 3.24Å; H48-A51 PolarHBondContact O-N 3.45Å; G49-A51 VanDerWaalsContact C-N 3.35Å; A51-I54 PolarHBondContact O-N 3.3Å; A51-I55 WeakPolarHBondContact O-CB 3.5Å; A51-I55 WeakPolarHBondContact O-CG1 3.29Å; A51-I55 PolarHBondContact O-N 3.45Å; A51-I73 HydrophobicContact CB-CD1 4.18Å; A51-W110 HydrophobicContact CB-CH2 3.64Å; A51-W110 HydrophobicContact CB-CZ2 3.74Å
52	L	98.9	Very high	98	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-64.6	-37.6	173.8	-72.8	174.1	0	0	112.8	F4 L7 H48 G49 L50 I55 G56 G70 I73 F74 I77	F4-L52 HydrophobicContact CD1-CD2 4.1Å; L7-L52 HydrophobicContact CB-CD1 4.19Å; H48-L52 WeakPolarHBondContact O-CG 3.34Å; H48-L52 PolarHBondContact O-N 3.32Å; G49-L52 WeakPolarHBondContact O-CB 3.33Å; G49-L52 PolarHBondContact O-N 2.96Å; L50-L52 VanDerWaalsContact C-N 3.3Å; L50-L52 PolarHBondContact O-N 3.46Å; L52-I55 PolarHBondContact O-N 2.94Å; L52-G56 PolarHBondContact O-N 3.25Å; L52-G70 VanDerWaalsContact CD2-O 3.27Å; L52-G70 WeakPolarHBondContact CD2-O 3.38Å; L52-I73 HydrophobicContact CD2-CB 4.3Å; L52-I73 HydrophobicContact CD2-CG2 4.09Å; L52-I73 HydrophobicContact CG-CG2 4Å; L52-F74 HydrophobicContact CD1-CB 4.04Å; L52-F74 HydrophobicContact CD1-CD2 3.91Å; L52-F74 HydrophobicContact CD1-CG 4.44Å; L52-F74 HydrophobicContact CD2-CB 4.22Å; L52-I77 HydrophobicContact CD1-CD1 3.76Å
53	L	98.6	Very high	97.8	Very high	50 Å²	50	51.3 Å²	51.3	26%	0.262	29%	0.289	S	S	.	.	H	α-helix	trans	-59.2	-48.9	171.9	-68.5	176.2	0	0	110.6	I5 A9 G49 L50 I55 G56 V57	I5-L53 HydrophobicContact CB-CD2 4.5Å; I5-L53 HydrophobicContact CG2-CD2 3.93Å; I5-L53 WeakPolarHBondContact O-CD2 3.44Å; A9-L53 HydrophobicContact CB-CD2 4.17Å; G49-L53 PolarHBondContact O-N 3.42Å; G49-L53 VanDerWaalsContact O-N 3.15Å; L50-L53 HydrophobicContact CD2-CD1 3.88Å; L50-L53 WeakPolarHBondContact O-CB 3.27Å; L50-L53 PolarHBondContact O-N 2.99Å; L50-L53 VanDerWaalsContact O-N 3.15Å; L53-I55 PolarHBondContact O-N 3.45Å; L53-G56 WeakPolarHBondContact O-CA 3.42Å; L53-G56 PolarHBondContact O-N 3.17Å; L53-G56 VanDerWaalsContact O-N 3.14Å; L53-V57 WeakPolarHBondContact O-CG2 3.39Å; L53-V57 PolarHBondContact O-N 2.88Å
54	I	98.5	Very high	97.6	Very high	101 Å²	101	49.9 Å²	49.9	52%	0.518	28%	0.279	S	S	.	.	H	α-helix	trans	-60.6	-46.6	179	-66.7	166.5	0	0	110.8	L50 A51 G56 V57 I58	L50-I54 WeakPolarHBondContact O-CG1 3.42Å; L50-I54 PolarHBondContact O-N 3.18Å; A51-I54 PolarHBondContact O-N 3.3Å; I54-G56 VanDerWaalsContact C-N 3.28Å; I54-G56 PolarHBondContact O-N 3.45Å; I54-V57 PolarHBondContact O-N 3.31Å; I54-I58 HydrophobicContact CG2-CD1 3.75Å; I54-I58 HydrophobicContact CG2-CG1 4.33Å; I54-I58 WeakPolarHBondContact O-CG1 3.48Å; I54-I58 PolarHBondContact O-N 3.33Å
55	I	98.5	Very high	97.5	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-59.5	-41.2	175	-74.5	173.5	0	0	111.2	F4 A51 L52 L53 V57 I58 S59 V66 A69 I73	F4-I55 HydrophobicContact CB-CG2 4.47Å; F4-I55 HydrophobicContact CD2-CG2 3.67Å; F4-I55 HydrophobicContact CE2-CG2 4.11Å; F4-I55 HydrophobicContact CG-CG2 4.15Å; A51-I55 WeakPolarHBondContact O-CB 3.5Å; A51-I55 WeakPolarHBondContact O-CG1 3.29Å; A51-I55 PolarHBondContact O-N 3.45Å; L52-I55 PolarHBondContact O-N 2.94Å; L53-I55 PolarHBondContact O-N 3.45Å; I55-V57 VanDerWaalsContact C-N 3.34Å; I55-V57 PolarHBondContact O-N 3.19Å; I55-I58 PolarHBondContact O-N 2.97Å; I55-S59 VanDerWaalsContact O-CB 3.27Å; I55-S59 WeakPolarHBondContact O-CB 3.47Å; I55-S59 PolarHBondContact O-N 3.06Å; I55-V66 HydrophobicContact CG2-CB 4.11Å; I55-V66 HydrophobicContact CG2-CG2 3.68Å; I55-A69 HydrophobicContact CD1-CB 4.14Å; I55-I73 HydrophobicContact CD1-CD1 3.68Å
56	G	98.3	Very high	97.4	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.01	29%	0.287	C	S	.	.	H	α-helix	trans	-59.6	-43.5	175.5	0	0	0	0	112.7	L52 L53 I54 G60	L52-G56 PolarHBondContact O-N 3.25Å; L53-G56 WeakPolarHBondContact O-CA 3.42Å; L53-G56 PolarHBondContact O-N 3.17Å; L53-G56 VanDerWaalsContact O-N 3.14Å; I54-G56 VanDerWaalsContact C-N 3.28Å; I54-G56 PolarHBondContact O-N 3.45Å; G56-G60 PolarHBondContact O-N 3.25Å
57	V	98	Very high	97.3	Very high	78 Å²	78	50 Å²	50	47%	0.473	29%	0.287	S	S	.	.	H	α-helix	trans	-65.2	-52.7	174.9	173.1	0	0	0	110.8	L53 I54 I55 S59 G60 T61	L53-V57 WeakPolarHBondContact O-CG2 3.39Å; L53-V57 PolarHBondContact O-N 2.88Å; I54-V57 PolarHBondContact O-N 3.31Å; I55-V57 VanDerWaalsContact C-N 3.34Å; I55-V57 PolarHBondContact O-N 3.19Å; V57-S59 VanDerWaalsContact C-N 3.27Å; V57-S59 PolarHBondContact O-N 2.91Å; V57-G60 CarbonylContact O-C 3.52Å; V57-G60 WeakPolarHBondContact O-CA 3.16Å; V57-G60 PolarHBondContact O-N 2.81Å; V57-T61 HydrophobicContact CG1-CG2 4.17Å; V57-T61 PolarHBondContact O-N 3.24Å; V57-T61 PolarHBondContact O-OG1 2.67Å
58	I	97.1	Very high	97.3	Very high	40 Å²	40	50.7 Å²	50.7	21%	0.205	29%	0.289	C	S	.	.	H	α-helix	trans	-53.9	-46.1	179	-69.2	167.5	0	0	110.7	I54 I55 G60 T61 T62 I64 V66	I54-I58 HydrophobicContact CG2-CD1 3.75Å; I54-I58 HydrophobicContact CG2-CG1 4.33Å; I54-I58 WeakPolarHBondContact O-CG1 3.48Å; I54-I58 PolarHBondContact O-N 3.33Å; I55-I58 PolarHBondContact O-N 2.97Å; I58-G60 PolarHBondContact O-N 3.09Å; I58-T61 PolarHBondContact O-N 3.33Å; I58-T62 HydrophobicContact CG2-CG2 4.41Å; I58-T62 WeakPolarHBondContact CG2-OG1 3.39Å; I58-T62 WeakPolarHBondContact O-CB 3.3Å; I58-T62 PolarHBondContact O-N 2.65Å; I58-T62 PolarHBondContact O-OG1 2.82Å; I58-I64 HydrophobicContact CG2-CB 4.24Å; I58-I64 HydrophobicContact CG2-CD1 4.29Å; I58-V66 HydrophobicContact CG2-CG1 3.87Å; I58-V66 HydrophobicContact CG2-CG2 4.35Å
59	S	96.2	Very high	97.2	Very high	29 Å²	29	50 Å²	50	20%	0.203	29%	0.286	C	S	.	.	H	α-helix	trans	-68.3	-16.1	178.1	176.6	0	0	0	113.7	M1 I55 V57	M1-S59 PolarHBondContact N-OG 2.83Å; I55-S59 VanDerWaalsContact O-CB 3.27Å; I55-S59 WeakPolarHBondContact O-CB 3.47Å; I55-S59 PolarHBondContact O-N 3.06Å; V57-S59 VanDerWaalsContact C-N 3.27Å; V57-S59 PolarHBondContact O-N 2.91Å
60	G	94.8	Very high	97.2	Very high	61 Å²	61	50 Å²	50	63%	0.629	29%	0.286	S	S	*	.	H	α-helix	trans	-96.8	-21.2	176	0	0	0	0	114.1	G56 V57 I58	G56-G60 PolarHBondContact O-N 3.25Å; V57-G60 CarbonylContact O-C 3.52Å; V57-G60 WeakPolarHBondContact O-CA 3.16Å; V57-G60 PolarHBondContact O-N 2.81Å; I58-G60 PolarHBondContact O-N 3.09Å
61	T	95.6	Very high	97.2	Very high	107 Å²	107	51.6 Å²	51.6	66%	0.656	29%	0.287	S	S	*	.	H	α-helix	trans	-113.5	-11.7	-174.6	58.4	0	0	0	113.7	V57 I58	V57-T61 HydrophobicContact CG1-CG2 4.17Å; V57-T61 PolarHBondContact O-N 3.24Å; V57-T61 PolarHBondContact O-OG1 2.67Å; I58-T61 PolarHBondContact O-N 3.33Å
62	T	94.7	Very high	97.2	Very high	53 Å²	53	52.7 Å²	52.7	33%	0.325	29%	0.292	S	S	.	.	S	Bend	trans	-132.3	164.5	179.8	77.2	0	0	0	110.3	I58 I64	I58-T62 HydrophobicContact CG2-CG2 4.41Å; I58-T62 WeakPolarHBondContact CG2-OG1 3.39Å; I58-T62 WeakPolarHBondContact O-CB 3.3Å; I58-T62 PolarHBondContact O-N 2.65Å; I58-T62 PolarHBondContact O-OG1 2.82Å; T62-I64 VanDerWaalsContact C-N 3.29Å; T62-I64 HydrophobicContact CG2-CD1 4.37Å; T62-I64 WeakPolarHBondContact OG1-CB 3.49Å; T62-I64 WeakPolarHBondContact OG1-CG1 3.45Å; T62-I64 PolarHBondContact OG1-N 3.49Å
63	S	94.2	Very high	97.2	Very high	95 Å²	95	52.7 Å²	52.7	66%	0.664	29%	0.292	S	S	*	.			trans	-88.7	9.3	169.1	40.9	0	0	0	113.3	N65 F120	S63-N65 PolarHBondContact O-N 2.84Å; S63-F120 WeakPolarHBondContact OG-CE2 2.93Å; S63-F120 WeakPolarHBondContact OG-CZ 3.38Å
64	I	95.4	Very high	97.2	Very high	21 Å²	21	52.4 Å²	52.4	11%	0.108	29%	0.289	C	S	.	.			trans	-65.6	121.3	175.6	-54.4	172.8	0	0	109.2	I58 T62 V66 A116 F120	I58-I64 HydrophobicContact CG2-CB 4.24Å; I58-I64 HydrophobicContact CG2-CD1 4.29Å; T62-I64 VanDerWaalsContact C-N 3.29Å; T62-I64 HydrophobicContact CG2-CD1 4.37Å; T62-I64 WeakPolarHBondContact OG1-CB 3.49Å; T62-I64 WeakPolarHBondContact OG1-CG1 3.45Å; T62-I64 PolarHBondContact OG1-N 3.49Å; I64-V66 HydrophobicContact CB-CG1 4.28Å; I64-V66 HydrophobicContact CG2-CG1 3.65Å; I64-V66 PolarHBondContact O-N 2.99Å; I64-V66 VanDerWaalsContact O-N 3.09Å; I64-A116 HydrophobicContact CG2-CB 3.85Å; I64-F120 HydrophobicContact CB-CB 4.49Å; I64-F120 HydrophobicContact CB-CG 4.48Å; I64-F120 HydrophobicContact CD1-CB 4.49Å; I64-F120 HydrophobicContact CD1-CD1 3.82Å; I64-F120 HydrophobicContact CD1-CE1 4.45Å; I64-F120 HydrophobicContact CD1-CG 4.31Å; I64-F120 HydrophobicContact CG1-CB 3.71Å; I64-F120 HydrophobicContact CG1-CD1 3.39Å; I64-F120 HydrophobicContact CG1-CD2 4.15Å; I64-F120 HydrophobicContact CG1-CE1 4.03Å; I64-F120 HydrophobicContact CG1-CG 3.44Å; I64-F120 VanDerWaalsContact CG1-CG 3.44Å
65	N	95.8	Very high	97.2	Very high	108 Å²	108	48.9 Å²	48.9	58%	0.578	27%	0.274	S	S	*	.			trans	-79.2	94.7	176.1	-174.9	-11.3	0	0	111.3	S63 N67 A116	S63-N65 PolarHBondContact O-N 2.84Å; N65-N67 WeakPolarHBondContact OD1-CB 3.35Å; N65-N67 PolarHBondContact OD1-N 3.25Å; N65-A116 VanDerWaalsContact O-CB 3.27Å; N65-A116 WeakPolarHBondContact O-CB 3.47Å
66	V	97.5	Very high	97.3	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.274	C	S	.	.			trans	-100.8	14.8	-179.4	-63.6	0	0	0	113.6	I55 I58 I64 W68 A69 G70 L113 A116	I55-V66 HydrophobicContact CG2-CB 4.11Å; I55-V66 HydrophobicContact CG2-CG2 3.68Å; I58-V66 HydrophobicContact CG2-CG1 3.87Å; I58-V66 HydrophobicContact CG2-CG2 4.35Å; I64-V66 HydrophobicContact CB-CG1 4.28Å; I64-V66 HydrophobicContact CG2-CG1 3.65Å; I64-V66 PolarHBondContact O-N 2.99Å; I64-V66 VanDerWaalsContact O-N 3.09Å; V66-W68 PolarHBondContact O-N 2.96Å; V66-A69 WeakPolarHBondContact O-CB 3.38Å; V66-A69 PolarHBondContact O-N 2.83Å; V66-G70 PolarHBondContact O-N 2.83Å; V66-L113 HydrophobicContact CB-CD1 4.2Å; V66-L113 HydrophobicContact CG1-CD1 3.52Å; V66-A116 HydrophobicContact CG1-CB 4.4Å
67	N	97.1	Very high	97.3	Very high	51 Å²	51	49 Å²	49	27%	0.273	27%	0.274	S	S	.	.	H	α-helix	trans	-63.5	-44.8	-172.1	-70	-11.4	0	0	113.1	M1 N65 A69 G70 W71	M1-N67 VanDerWaalsContact SD-CG 3.6Å; M1-N67 PolarHBondContact SD-OD1 3.49Å; N65-N67 WeakPolarHBondContact OD1-CB 3.35Å; N65-N67 PolarHBondContact OD1-N 3.25Å; N67-A69 VanDerWaalsContact C-N 3.34Å; N67-A69 PolarHBondContact O-N 2.83Å; N67-G70 PolarHBondContact O-N 3.42Å; N67-W71 PolarHBondContact O-N 3.43Å
68	W	98	Very high	97.3	Very high	174 Å²	174	49.6 Å²	49.6	66%	0.659	27%	0.274	S	S	*	.	H	α-helix	trans	-63.6	-40.4	177.5	-81.9	112.8	0	0	112.2	V66 G70 W71 L72 M112	V66-W68 PolarHBondContact O-N 2.96Å; W68-G70 VanDerWaalsContact C-N 3.34Å; W68-G70 PolarHBondContact O-N 2.92Å; W68-W71 PolarHBondContact O-N 2.96Å; W68-L72 VanDerWaalsContact O-CB 3.32Å; W68-L72 WeakPolarHBondContact O-CB 3.48Å; W68-L72 WeakPolarHBondContact O-CD1 3.36Å; W68-L72 WeakPolarHBondContact O-CG 3.32Å; W68-L72 PolarHBondContact O-N 3.46Å; W68-M112 HydrophobicContact CB-CE 3.76Å; W68-M112 HydrophobicContact CB-CG 4.47Å; W68-M112 HydrophobicContact CG-CE 4.2Å
69	A	98.5	Very high	97.4	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.008	28%	0.283	C	S	.	.	H	α-helix	trans	-59.1	-46.7	174.5	0	0	0	0	111.1	I55 V66 N67 L72 I73 G109 M112 L113	I55-A69 HydrophobicContact CD1-CB 4.14Å; V66-A69 WeakPolarHBondContact O-CB 3.38Å; V66-A69 PolarHBondContact O-N 2.83Å; N67-A69 VanDerWaalsContact C-N 3.34Å; N67-A69 PolarHBondContact O-N 2.83Å; A69-L72 PolarHBondContact O-N 3.16Å; A69-I73 WeakPolarHBondContact O-CB 3.47Å; A69-I73 VanDerWaalsContact O-CG1 3.32Å; A69-I73 WeakPolarHBondContact O-CG1 3.29Å; A69-I73 PolarHBondContact O-N 3.49Å; A69-G109 VanDerWaalsContact CB-O 3.32Å; A69-G109 WeakPolarHBondContact CB-O 3.27Å; A69-M112 HydrophobicContact CB-CB 4.17Å; A69-L113 HydrophobicContact CB-CB 3.89Å
70	G	98.7	Very high	97.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-60.7	-47.6	178.2	0	0	0	0	113.2	L52 V66 N67 W68 I73 F74	L52-G70 VanDerWaalsContact CD2-O 3.27Å; L52-G70 WeakPolarHBondContact CD2-O 3.38Å; V66-G70 PolarHBondContact O-N 2.83Å; N67-G70 PolarHBondContact O-N 3.42Å; W68-G70 VanDerWaalsContact C-N 3.34Å; W68-G70 PolarHBondContact O-N 2.92Å; G70-I73 PolarHBondContact O-N 3.23Å; G70-F74 WeakPolarHBondContact O-CB 3.45Å; G70-F74 PolarHBondContact O-N 3.15Å
71	W	98.7	Very high	97.6	Very high	108 Å²	108	48.7 Å²	48.7	41%	0.409	25%	0.248	S	C	.	.	H	α-helix	trans	-67.1	-39.1	179.7	-73.1	122.5	0	0	113.3	L3 F4 L7 N67 W68 F74 A75	L3-W71 HydrophobicContact CD2-CH2 3.66Å; L3-W71 HydrophobicContact CD2-CZ2 3.88Å; F4-W71 HydrophobicContact CE1-CD2 4.05Å; F4-W71 HydrophobicContact CE1-CE3 4.41Å; F4-W71 HydrophobicContact CE1-CG 4.32Å; F4-W71 HydrophobicContact CZ-CD2 4.35Å; F4-W71 HydrophobicContact CZ-CG 4.29Å; F4-W71 AromaticContact CZ-NE1 3.99Å; L7-W71 HydrophobicContact CD1-CZ3 4.2Å; N67-W71 PolarHBondContact O-N 3.43Å; W68-W71 PolarHBondContact O-N 2.96Å; W71-F74 HydrophobicContact CE3-CD1 4.18Å; W71-F74 HydrophobicContact CZ3-CD1 4.12Å; W71-F74 PolarHBondContact O-N 3.39Å; W71-A75 VanDerWaalsContact O-CB 3.32Å; W71-A75 WeakPolarHBondContact O-CB 3.3Å; W71-A75 PolarHBondContact O-N 2.97Å
72	L	98.8	Very high	97.7	Very high	27 Å²	27	44.6 Å²	44.6	14%	0.141	23%	0.228	C	C	.	.	H	α-helix	trans	-65.7	-43.4	176.2	-72.9	167.3	0	0	111.7	W68 A69 A75 G76 L105 I108 M112	W68-L72 VanDerWaalsContact O-CB 3.32Å; W68-L72 WeakPolarHBondContact O-CB 3.48Å; W68-L72 WeakPolarHBondContact O-CD1 3.36Å; W68-L72 WeakPolarHBondContact O-CG 3.32Å; W68-L72 PolarHBondContact O-N 3.46Å; A69-L72 PolarHBondContact O-N 3.16Å; L72-A75 PolarHBondContact O-N 2.95Å; L72-G76 PolarHBondContact O-N 2.98Å; L72-L105 HydrophobicContact CD2-CD2 3.73Å; L72-I108 HydrophobicContact CD1-CB 4.29Å; L72-I108 HydrophobicContact CD1-CG2 3.67Å; L72-I108 HydrophobicContact CD2-CG2 4.49Å; L72-M112 HydrophobicContact CD1-CB 4.31Å; L72-M112 HydrophobicContact CD1-CG 3.64Å
73	I	98.9	Very high	97.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.9	-45.8	175.1	-71.8	-177.5	0	0	110.5	H48 A51 L52 I55 A69 G70 G76 I77 F106 W110	H48-I73 HydrophobicContact CB-CG2 3.82Å; A51-I73 HydrophobicContact CB-CD1 4.18Å; L52-I73 HydrophobicContact CD2-CB 4.3Å; L52-I73 HydrophobicContact CD2-CG2 4.09Å; L52-I73 HydrophobicContact CG-CG2 4Å; I55-I73 HydrophobicContact CD1-CD1 3.68Å; A69-I73 WeakPolarHBondContact O-CB 3.47Å; A69-I73 VanDerWaalsContact O-CG1 3.32Å; A69-I73 WeakPolarHBondContact O-CG1 3.29Å; A69-I73 PolarHBondContact O-N 3.49Å; G70-I73 PolarHBondContact O-N 3.23Å; I73-G76 WeakPolarHBondContact O-CA 3.45Å; I73-G76 PolarHBondContact O-N 2.88Å; I73-G76 VanDerWaalsContact O-N 3.16Å; I73-I77 WeakPolarHBondContact O-CG1 3.46Å; I73-I77 PolarHBondContact O-N 3.17Å; I73-F106 WeakPolarHBondContact O-CE1 3.45Å; I73-W110 HydrophobicContact CD1-CD2 4.32Å; I73-W110 HydrophobicContact CD1-CZ2 4.24Å
74	F	98.8	Very high	98.1	Very high	45 Å²	45	38.6 Å²	38.6	20%	0.197	19%	0.186	C	C	.	.	H	α-helix	trans	-62.5	-45.4	178.8	179.9	-113.7	0	0	112.5	L7 L52 G70 W71 G76 I77 I78	L7-F74 HydrophobicContact CB-CD2 4.23Å; L7-F74 HydrophobicContact CB-CE2 4.29Å; L7-F74 HydrophobicContact CD1-CD1 4.21Å; L7-F74 HydrophobicContact CD1-CD2 4.11Å; L7-F74 HydrophobicContact CD1-CE1 4.32Å; L7-F74 HydrophobicContact CD1-CE2 4.24Å; L7-F74 HydrophobicContact CD1-CG 4.09Å; L7-F74 HydrophobicContact CD1-CZ 4.34Å; L7-F74 HydrophobicContact CD2-CD2 4.43Å; L7-F74 HydrophobicContact CD2-CE1 4.48Å; L7-F74 HydrophobicContact CD2-CE2 3.8Å; L7-F74 HydrophobicContact CD2-CZ 3.82Å; L7-F74 HydrophobicContact CG-CD2 4.49Å; L7-F74 HydrophobicContact CG-CE2 4.33Å; L52-F74 HydrophobicContact CD1-CB 4.04Å; L52-F74 HydrophobicContact CD1-CD2 3.91Å; L52-F74 HydrophobicContact CD1-CG 4.44Å; L52-F74 HydrophobicContact CD2-CB 4.22Å; G70-F74 WeakPolarHBondContact O-CB 3.45Å; G70-F74 PolarHBondContact O-N 3.15Å; W71-F74 HydrophobicContact CE3-CD1 4.18Å; W71-F74 HydrophobicContact CZ3-CD1 4.12Å; W71-F74 PolarHBondContact O-N 3.39Å; F74-G76 VanDerWaalsContact C-N 3.28Å; F74-G76 PolarHBondContact O-N 2.91Å; F74-I77 WeakPolarHBondContact O-CB 3.39Å; F74-I77 PolarHBondContact O-N 3.01Å; F74-I77 VanDerWaalsContact O-N 3.15Å; F74-I78 HydrophobicContact CD1-CD1 4.15Å; F74-I78 HydrophobicContact CE1-CD1 3.66Å; F74-I78 HydrophobicContact CZ-CD1 3.88Å; F74-I78 HydrophobicContact CZ-CG1 4.48Å; F74-I78 PolarHBondContact O-N 3.4Å
75	A	98.7	Very high	98.2	Very high	26 Å²	26	38.7 Å²	38.7	22%	0.215	19%	0.186	C	C	.	.	H	α-helix	trans	-60.9	-39.7	173.6	0	0	0	0	111.4	W71 L72 I77 I78 F79 L105	W71-A75 VanDerWaalsContact O-CB 3.32Å; W71-A75 WeakPolarHBondContact O-CB 3.3Å; W71-A75 PolarHBondContact O-N 2.97Å; L72-A75 PolarHBondContact O-N 2.95Å; A75-I77 VanDerWaalsContact C-N 3.31Å; A75-I77 PolarHBondContact O-N 3.42Å; A75-I78 PolarHBondContact O-N 3.16Å; A75-I78 VanDerWaalsContact O-N 3.17Å; A75-F79 VanDerWaalsContact O-CD2 3.27Å; A75-F79 WeakPolarHBondContact O-CD2 3.37Å; A75-F79 PolarHBondContact O-N 3.33Å; A75-L105 HydrophobicContact CB-CD1 3.96Å
76	G	98.8	Very high	98.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-56	-42.5	173	0	0	0	0	112.5	L72 I73 F74 I78 F79 F80 F106	L72-G76 PolarHBondContact O-N 2.98Å; I73-G76 WeakPolarHBondContact O-CA 3.45Å; I73-G76 PolarHBondContact O-N 2.88Å; I73-G76 VanDerWaalsContact O-N 3.16Å; F74-G76 VanDerWaalsContact C-N 3.28Å; F74-G76 PolarHBondContact O-N 2.91Å; G76-I78 PolarHBondContact O-N 3.21Å; G76-F79 PolarHBondContact O-N 3.42Å; G76-F80 WeakPolarHBondContact O-CA 3.43Å; G76-F80 WeakPolarHBondContact O-CB 3.44Å; G76-F80 PolarHBondContact O-N 2.94Å; G76-F106 VanDerWaalsContact CA-CE1 3.48Å; G76-F106 WeakPolarHBondContact O-CZ 3.09Å
77	I	98.8	Very high	98.2	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.021	18%	0.184	C	C	.	.	H	α-helix	trans	-60.7	-45.9	176.1	-64	170.9	0	0	110.9	N11 Q45 H48 L52 I73 F74 A75 S81 G82 F106	N11-I77 HydrophobicContact CB-CD1 4.2Å; N11-I77 VanDerWaalsContact OD1-CG2 3.3Å; N11-I77 WeakPolarHBondContact OD1-CG2 3.2Å; Q45-I77 HydrophobicContact CB-CG2 4.39Å; Q45-I77 HydrophobicContact CG-CG2 3.8Å; H48-I77 HydrophobicContact CB-CD1 3.79Å; H48-I77 HydrophobicContact CB-CG1 3.61Å; L52-I77 HydrophobicContact CD1-CD1 3.76Å; I73-I77 WeakPolarHBondContact O-CG1 3.46Å; I73-I77 PolarHBondContact O-N 3.17Å; F74-I77 WeakPolarHBondContact O-CB 3.39Å; F74-I77 PolarHBondContact O-N 3.01Å; F74-I77 VanDerWaalsContact O-N 3.15Å; A75-I77 VanDerWaalsContact C-N 3.31Å; A75-I77 PolarHBondContact O-N 3.42Å; I77-S81 WeakPolarHBondContact O-CB 3.39Å; I77-S81 PolarHBondContact O-N 2.88Å; I77-G82 PolarHBondContact O-N 3.16Å; I77-F106 HydrophobicContact CG1-CE1 3.9Å; I77-F106 HydrophobicContact CG1-CZ 4.15Å
78	I	98.4	Very high	98.2	Very high	92 Å²	92	36.2 Å²	36.2	47%	0.472	17%	0.172	S	C	.	.	I	π-helix	trans	-61.2	-52.1	-179.8	-64.7	170.6	0	0	110.4	F74 A75 G76 G82	F74-I78 HydrophobicContact CD1-CD1 4.15Å; F74-I78 HydrophobicContact CE1-CD1 3.66Å; F74-I78 HydrophobicContact CZ-CD1 3.88Å; F74-I78 HydrophobicContact CZ-CG1 4.48Å; F74-I78 PolarHBondContact O-N 3.4Å; A75-I78 PolarHBondContact O-N 3.16Å; A75-I78 VanDerWaalsContact O-N 3.17Å; G76-I78 PolarHBondContact O-N 3.21Å; I78-G82 WeakPolarHBondContact O-CA 3.32Å; I78-G82 PolarHBondContact O-N 2.81Å
79	F	98	Very high	98.2	Very high	88 Å²	88	33 Å²	33	39%	0.386	17%	0.167	S	C	.	.	I	π-helix	trans	-74	-34.3	-176.2	-76	-69.9	0	0	113.2	A75 G76 S83 I98 L105	A75-F79 VanDerWaalsContact O-CD2 3.27Å; A75-F79 WeakPolarHBondContact O-CD2 3.37Å; A75-F79 PolarHBondContact O-N 3.33Å; G76-F79 PolarHBondContact O-N 3.42Å; F79-S83 WeakPolarHBondContact O-CB 3.47Å; F79-S83 PolarHBondContact O-OG 3.29Å; F79-I98 HydrophobicContact CB-CG2 4.45Å; F79-I98 HydrophobicContact CD1-CG2 3.54Å; F79-I98 HydrophobicContact CE1-CG2 4.29Å; F79-I98 HydrophobicContact CG-CG2 4.46Å; F79-L105 HydrophobicContact CB-CD1 4.47Å; F79-L105 HydrophobicContact CD2-CD1 3.54Å; F79-L105 HydrophobicContact CE2-CD1 4.19Å; F79-L105 HydrophobicContact CG-CD1 4.33Å
80	F	98.4	Very high	98	Very high	22 Å²	22	36.1 Å²	36.1	10%	0.096	19%	0.186	C	C	.	.	I	π-helix	trans	-83	-69.4	-179.6	-169	-86.8	0	0	111.1	K40 Y44 G76 S83 L84 T99 F106	K40-F80 HydrophobicContact CG-CE1 4.42Å; Y44-F80 HydrophobicContact CD1-CD1 4.04Å; Y44-F80 AromaticContact CD1-CE1 3.52Å; Y44-F80 HydrophobicContact CD1-CE1 3.52Å; Y44-F80 HydrophobicContact CD1-CE2 4.48Å; Y44-F80 AromaticContact CD1-CZ 3.77Å; Y44-F80 HydrophobicContact CD1-CZ 3.77Å; Y44-F80 HydrophobicContact CD2-CE1 4.04Å; Y44-F80 HydrophobicContact CD2-CZ 4.47Å; Y44-F80 HydrophobicContact CE1-CE1 4.13Å; Y44-F80 AromaticContact CE1-CZ 3.91Å; Y44-F80 HydrophobicContact CE1-CZ 3.91Å; Y44-F80 HydrophobicContact CG-CD1 4.07Å; Y44-F80 AromaticContact CG-CE1 3.46Å; Y44-F80 HydrophobicContact CG-CE1 3.46Å; Y44-F80 VanDerWaalsContact CG-CE1 3.46Å; Y44-F80 HydrophobicContact CG-CZ 4.07Å; G76-F80 WeakPolarHBondContact O-CA 3.43Å; G76-F80 WeakPolarHBondContact O-CB 3.44Å; G76-F80 PolarHBondContact O-N 2.94Å; F80-S83 PolarHBondContact O-N 3.29Å; F80-S83 PolarHBondContact O-OG 3.47Å; F80-L84 HydrophobicContact CD1-CD1 4.22Å; F80-L84 HydrophobicContact CE1-CD1 3.82Å; F80-L84 HydrophobicContact CZ-CD1 4.3Å; F80-L84 WeakPolarHBondContact O-CG 3.39Å; F80-L84 PolarHBondContact O-N 2.84Å; F80-T99 HydrophobicContact CD2-CG2 3.49Å; F80-T99 VanDerWaalsContact CD2-CG2 3.49Å; F80-T99 WeakPolarHBondContact CD2-O 3.39Å; F80-T99 HydrophobicContact CE2-CG2 3.58Å; F80-T99 HydrophobicContact CG-CG2 4.01Å; F80-T99 HydrophobicContact CZ-CG2 4.16Å; F80-F106 HydrophobicContact CB-CD2 4.44Å; F80-F106 HydrophobicContact CB-CE2 3.52Å; F80-F106 HydrophobicContact CB-CZ 3.95Å; F80-F106 HydrophobicContact CD1-CE2 4.03Å; F80-F106 HydrophobicContact CD2-CE2 4.14Å; F80-F106 HydrophobicContact CG-CD2 4.46Å; F80-F106 AromaticContact CG-CE2 3.64Å; F80-F106 HydrophobicContact CG-CE2 3.64Å; F80-F106 HydrophobicContact CG-CZ 4.45Å
81	S	98.5	Very high	97.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.211	C	C	.	.	I	π-helix	trans	-69.4	-41.7	-174.7	-61.7	0	0	0	111.5	A41 Q45 I77 S83 L84 Y85	A41-S81 WeakPolarHBondContact O-CB 3.42Å; A41-S81 PolarHBondContact O-OG 3.04Å; Q45-S81 PolarHBondContact N-OG 3.27Å; I77-S81 WeakPolarHBondContact O-CB 3.39Å; I77-S81 PolarHBondContact O-N 2.88Å; S81-S83 PolarHBondContact O-N 3.05Å; S81-L84 PolarHBondContact O-N 3.06Å; S81-Y85 WeakPolarHBondContact O-CD2 3.46Å; S81-Y85 PolarHBondContact O-N 2.98Å
82	G	97.7	Very high	97.4	Very high	22 Å²	22	40.8 Å²	40.8	23%	0.227	21%	0.214	C	C	.	.	I	π-helix	trans	-58.7	-45	177.2	0	0	0	0	112.8	I77 I78 L84 Y85 I86	I77-G82 PolarHBondContact O-N 3.16Å; I78-G82 WeakPolarHBondContact O-CA 3.32Å; I78-G82 PolarHBondContact O-N 2.81Å; G82-L84 PolarHBondContact O-N 2.92Å; G82-Y85 PolarHBondContact O-N 2.83Å; G82-I86 VanDerWaalsContact O-CG1 3.29Å; G82-I86 WeakPolarHBondContact O-CG1 3.35Å; G82-I86 PolarHBondContact O-N 3.47Å; G82-I86 VanDerWaalsContact O-N 3.15Å
83	S	97.6	Very high	96.9	Very high	8 Å²	8	47.5 Å²	47.5	6%	0.056	24%	0.242	C	C	.	.	H	α-helix	trans	-64.4	-38.9	177.5	65.9	0	0	0	112.7	F79 F80 S81 I86 L87 L95 T99	F79-S83 WeakPolarHBondContact O-CB 3.47Å; F79-S83 PolarHBondContact O-OG 3.29Å; F80-S83 PolarHBondContact O-N 3.29Å; F80-S83 PolarHBondContact O-OG 3.47Å; S81-S83 PolarHBondContact O-N 3.05Å; S83-I86 PolarHBondContact O-N 3.48Å; S83-L87 WeakPolarHBondContact O-CB 3.42Å; S83-L87 PolarHBondContact O-N 3.3Å; S83-L95 WeakPolarHBondContact CB-O 3.22Å; S83-T99 PolarHBondContact OG-OG1 3.41Å
84	L	98.1	Very high	96.4	Very high	13 Å²	13	52.6 Å²	52.6	7%	0.068	27%	0.273	C	S	.	.	H	α-helix	trans	-68.3	-40.1	178.4	-68.3	-173.8	0	0	112.7	V37 K40 A41 F80 S81 G82 L87 V88 T99	V37-L84 HydrophobicContact CG1-CB 4.16Å; V37-L84 HydrophobicContact CG1-CD1 4.47Å; V37-L84 HydrophobicContact CG1-CD2 3.8Å; V37-L84 HydrophobicContact CG1-CG 4.35Å; K40-L84 HydrophobicContact CG-CD1 4.46Å; A41-L84 HydrophobicContact CB-CB 3.6Å; A41-L84 HydrophobicContact CB-CD1 4.12Å; F80-L84 HydrophobicContact CD1-CD1 4.22Å; F80-L84 HydrophobicContact CE1-CD1 3.82Å; F80-L84 HydrophobicContact CZ-CD1 4.3Å; F80-L84 WeakPolarHBondContact O-CG 3.39Å; F80-L84 PolarHBondContact O-N 2.84Å; S81-L84 PolarHBondContact O-N 3.06Å; G82-L84 PolarHBondContact O-N 2.92Å; L84-L87 HydrophobicContact CD2-CD2 4.16Å; L84-L87 WeakPolarHBondContact O-CB 3.39Å; L84-L87 PolarHBondContact O-N 3.34Å; L84-V88 WeakPolarHBondContact O-CG2 3.45Å; L84-V88 PolarHBondContact O-N 3.47Å; L84-T99 HydrophobicContact CD1-CG2 4.18Å; L84-T99 HydrophobicContact CD2-CG2 3.81Å; L84-T99 WeakPolarHBondContact CD2-OG1 3.28Å; L84-T99 HydrophobicContact CG-CG2 3.89Å
85	Y	98.2	Very high	95.6	Very high	24 Å²	24	52.1 Å²	52.1	9%	0.094	27%	0.272	C	S	.	.	H	α-helix	trans	-60.6	-48.1	174.1	-66.1	-47	0	0	111.8	T18 W38 A41 T42 Q45 S81 G82 L87 V88 L89	T18-Y85 HydrophobicContact CG2-CE1 4.27Å; T18-Y85 HydrophobicContact CG2-CE2 4.43Å; T18-Y85 PolarHBondContact OG1-OH 3.38Å; T18-Y85 VanDerWaalsContact OG1-OH 3.06Å; W38-Y85 AromaticContact CD2-CD1 3.88Å; W38-Y85 HydrophobicContact CD2-CD1 3.88Å; W38-Y85 HydrophobicContact CD2-CE1 4.17Å; W38-Y85 AromaticContact CE2-CD1 3.95Å; W38-Y85 AromaticContact CE2-CE1 3.95Å; W38-Y85 AromaticContact CE3-CD1 3.69Å; W38-Y85 HydrophobicContact CE3-CD1 3.69Å; W38-Y85 HydrophobicContact CE3-CE1 4.43Å; W38-Y85 AromaticContact CH2-CD1 3.71Å; W38-Y85 HydrophobicContact CH2-CD1 3.71Å; W38-Y85 HydrophobicContact CH2-CE1 4.31Å; W38-Y85 HydrophobicContact CH2-CG 4.37Å; W38-Y85 AromaticContact CZ2-CD1 3.88Å; W38-Y85 HydrophobicContact CZ2-CD1 3.88Å; W38-Y85 HydrophobicContact CZ2-CE1 4.02Å; W38-Y85 AromaticContact CZ3-CD1 3.61Å; W38-Y85 HydrophobicContact CZ3-CD1 3.61Å; W38-Y85 HydrophobicContact CZ3-CG 4.26Å; A41-Y85 HydrophobicContact CB-CD1 3.72Å; A41-Y85 HydrophobicContact CB-CE1 3.44Å; A41-Y85 VanDerWaalsContact CB-CE1 3.44Å; A41-Y85 HydrophobicContact CB-CE2 4.36Å; A41-Y85 HydrophobicContact CB-CG 4.3Å; T42-Y85 WeakPolarHBondContact CA-OH 3.25Å; T42-Y85 HydrophobicContact CG2-CE1 3.64Å; T42-Y85 WeakPolarHBondContact CG2-OH 3.32Å; T42-Y85 PolarHBondContact N-OH 2.89Å; Q45-Y85 PolarHBondContact OE1-OH 3.39Å; S81-Y85 WeakPolarHBondContact O-CD2 3.46Å; S81-Y85 PolarHBondContact O-N 2.98Å; G82-Y85 PolarHBondContact O-N 2.83Å; Y85-L87 VanDerWaalsContact C-N 3.31Å; Y85-L87 PolarHBondContact O-N 3Å; Y85-V88 PolarHBondContact O-N 2.87Å; Y85-L89 WeakPolarHBondContact O-CG 3.29Å; Y85-L89 PolarHBondContact O-N 3.44Å; Y85-L89 VanDerWaalsContact O-N 3.11Å
86	I	96.8	Very high	94.8	Very high	85 Å²	85	52 Å²	52	44%	0.436	27%	0.274	S	S	.	.	H	α-helix	trans	-66.5	-38.4	180	-56.7	166.1	0	0	109.9	G82 S83 V88 L89 T90 L95	G82-I86 VanDerWaalsContact O-CG1 3.29Å; G82-I86 WeakPolarHBondContact O-CG1 3.35Å; G82-I86 PolarHBondContact O-N 3.47Å; G82-I86 VanDerWaalsContact O-N 3.15Å; S83-I86 PolarHBondContact O-N 3.48Å; I86-V88 VanDerWaalsContact C-N 3.34Å; I86-V88 PolarHBondContact O-N 3.45Å; I86-L89 PolarHBondContact O-N 2.99Å; I86-T90 HydrophobicContact CG2-CG2 3.75Å; I86-T90 WeakPolarHBondContact O-CB 3.44Å; I86-T90 WeakPolarHBondContact O-CG2 3.32Å; I86-T90 PolarHBondContact O-N 3.47Å; I86-T90 PolarHBondContact O-OG1 3.27Å; I86-L95 HydrophobicContact CB-CD1 3.88Å; I86-L95 HydrophobicContact CG2-CD1 3.25Å
87	L	97.2	Very high	94.3	Very high	19 Å²	19	55.3 Å²	55.3	10%	0.099	30%	0.301	C	S	.	.	H	α-helix	trans	-56.7	-45.9	174.3	172.1	64.6	0	0	111.7	Y34 V37 S83 L84 Y85 Q91 I92	Y34-L87 HydrophobicContact CE1-CG 4.36Å; V37-L87 HydrophobicContact CG1-CD2 4.31Å; S83-L87 WeakPolarHBondContact O-CB 3.42Å; S83-L87 PolarHBondContact O-N 3.3Å; L84-L87 HydrophobicContact CD2-CD2 4.16Å; L84-L87 WeakPolarHBondContact O-CB 3.39Å; L84-L87 PolarHBondContact O-N 3.34Å; Y85-L87 VanDerWaalsContact C-N 3.31Å; Y85-L87 PolarHBondContact O-N 3Å; L87-Q91 WeakPolarHBondContact O-CA 3.49Å; L87-Q91 PolarHBondContact O-N 3.44Å; L87-I92 WeakPolarHBondContact CD1-O 3.27Å
88	V	97.2	Very high	94.1	Very high	3 Å²	3	57.8 Å²	57.8	2%	0.018	31%	0.314	C	S	.	.	H	α-helix	trans	-66.4	-41.5	180	170.3	0	0	0	111.5	L26 I30 Y34 V37 W38 L84 Y85 I86	L26-V88 HydrophobicContact CD1-CG1 4.12Å; I30-V88 HydrophobicContact CD1-CG1 3.56Å; Y34-V88 HydrophobicContact CD1-CG2 4.11Å; Y34-V88 WeakPolarHBondContact O-CG2 3.26Å; V37-V88 HydrophobicContact CB-CG2 4Å; V37-V88 HydrophobicContact CG1-CG2 3.77Å; W38-V88 HydrophobicContact CB-CG1 4.44Å; W38-V88 HydrophobicContact CB-CG2 4.19Å; W38-V88 HydrophobicContact CE3-CB 3.93Å; W38-V88 HydrophobicContact CE3-CG1 3.81Å; W38-V88 HydrophobicContact CE3-CG2 4.42Å; L84-V88 WeakPolarHBondContact O-CG2 3.45Å; L84-V88 PolarHBondContact O-N 3.47Å; Y85-V88 PolarHBondContact O-N 2.87Å; I86-V88 VanDerWaalsContact C-N 3.34Å; I86-V88 PolarHBondContact O-N 3.45Å
89	L	96.7	Very high	93.9	Very high	106 Å²	106	54.1 Å²	54.1	56%	0.555	30%	0.296	S	S	*	.	H	α-helix	trans	-76.1	-33.3	-176.7	-66	174.5	0	0	113.6	F21 L26 W38 Y85 I86	F21-L89 HydrophobicContact CE1-CD2 4.27Å; L26-L89 HydrophobicContact CD2-CD2 4.39Å; W38-L89 HydrophobicContact CZ3-CD1 4.19Å; W38-L89 HydrophobicContact CZ3-CD2 4.16Å; W38-L89 HydrophobicContact CZ3-CG 3.98Å; Y85-L89 WeakPolarHBondContact O-CG 3.29Å; Y85-L89 PolarHBondContact O-N 3.44Å; Y85-L89 VanDerWaalsContact O-N 3.11Å; I86-L89 PolarHBondContact O-N 2.99Å
90	T	95.5	Very high	93.9	Very high	66 Å²	66	53.9 Å²	53.9	41%	0.405	30%	0.303	S	S	.	.	H	α-helix	trans	-106.7	-17.9	-173.9	66.8	0	0	0	113.5	I86 I92	I86-T90 HydrophobicContact CG2-CG2 3.75Å; I86-T90 WeakPolarHBondContact O-CB 3.44Å; I86-T90 WeakPolarHBondContact O-CG2 3.32Å; I86-T90 PolarHBondContact O-N 3.47Å; I86-T90 PolarHBondContact O-OG1 3.27Å; T90-I92 PolarHBondContact O-N 3.01Å; T90-I92 VanDerWaalsContact O-N 3.08Å; T90-I92 PolarHBondContact OG1-N 3.49Å
91	Q	92.1	Very high	93.8	Very high	114 Å²	114	57 Å²	57	53%	0.533	32%	0.32	S	S	.	.			trans	56.7	15.5	-171.6	-55.3	-178.1	3.3	0	114.4	Y34 L87 K93	Y34-Q91 HydrophobicContact CE2-CG 4.43Å; L87-Q91 WeakPolarHBondContact O-CA 3.49Å; L87-Q91 PolarHBondContact O-N 3.44Å; Q91-K93 PolarHBondContact O-N 3.28Å
92	I	92.3	Very high	93.8	Very high	92 Å²	92	57 Å²	57	47%	0.472	32%	0.32	S	S	.	.			trans	-74.2	98.4	176.4	-61.1	171.6	0	0	109.1	L87 T90 V94 L95	L87-I92 WeakPolarHBondContact CD1-O 3.27Å; T90-I92 PolarHBondContact O-N 3.01Å; T90-I92 VanDerWaalsContact O-N 3.08Å; T90-I92 PolarHBondContact OG1-N 3.49Å; I92-V94 HydrophobicContact CG2-CB 4.41Å; I92-V94 HydrophobicContact CG2-CG1 4.03Å; I92-V94 PolarHBondContact O-N 3.03Å; I92-V94 VanDerWaalsContact O-N 3.14Å; I92-L95 HydrophobicContact CB-CD1 4.05Å; I92-L95 HydrophobicContact CB-CG 4.26Å; I92-L95 HydrophobicContact CG2-CD1 4.35Å; I92-L95 HydrophobicContact CG2-CG 4.08Å; I92-L95 WeakPolarHBondContact O-CB 3.42Å; I92-L95 PolarHBondContact O-N 3.39Å; I92-L95 VanDerWaalsContact O-N 3.08Å
93	K	88.5	Confident	93.9	Very high	169 Å²	169	56.9 Å²	56.9	74%	0.735	32%	0.318	S	S	*	.	H	α-helix	trans	-58.3	-28.8	-175.2	-63.9	-176.5	-178.9	179.3	114.5	Q91 L95 G96	Q91-K93 PolarHBondContact O-N 3.28Å; K93-L95 PolarHBondContact O-N 3.33Å; K93-G96 PolarHBondContact O-N 3.34Å
94	V	87.4	Confident	93.9	Very high	106 Å²	106	60.1 Å²	60.1	64%	0.642	34%	0.338	S	S	*	.	H	α-helix	trans	-60.8	-27.6	178.9	104.5	0	0	0	112.1	I92 G96 A97	I92-V94 HydrophobicContact CG2-CB 4.41Å; I92-V94 HydrophobicContact CG2-CG1 4.03Å; I92-V94 PolarHBondContact O-N 3.03Å; I92-V94 VanDerWaalsContact O-N 3.14Å; V94-G96 VanDerWaalsContact C-N 3.3Å; V94-G96 PolarHBondContact O-N 3.25Å; V94-A97 VanDerWaalsContact O-CB 3.29Å; V94-A97 WeakPolarHBondContact O-CB 3.36Å; V94-A97 PolarHBondContact O-N 3.42Å; V94-A97 VanDerWaalsContact O-N 3.12Å
95	L	83	Confident	94	Very high	35 Å²	35	61 Å²	61	18%	0.183	34%	0.342	C	S	.	.	H	α-helix	trans	-69.3	-30.7	176.1	-62	176.4	0	0	111.8	S83 I86 I92 K93 A97 I98	S83-L95 WeakPolarHBondContact CB-O 3.22Å; I86-L95 HydrophobicContact CB-CD1 3.88Å; I86-L95 HydrophobicContact CG2-CD1 3.25Å; I92-L95 HydrophobicContact CB-CD1 4.05Å; I92-L95 HydrophobicContact CB-CG 4.26Å; I92-L95 HydrophobicContact CG2-CD1 4.35Å; I92-L95 HydrophobicContact CG2-CG 4.08Å; I92-L95 WeakPolarHBondContact O-CB 3.42Å; I92-L95 PolarHBondContact O-N 3.39Å; I92-L95 VanDerWaalsContact O-N 3.08Å; K93-L95 PolarHBondContact O-N 3.33Å; L95-A97 PolarHBondContact O-N 3.34Å; L95-I98 HydrophobicContact CD2-CD1 4.04Å; L95-I98 WeakPolarHBondContact O-CB 3.38Å; L95-I98 PolarHBondContact O-N 3.02Å
96	G	81.1	Confident	94	Very high	24 Å²	24	60.2 Å²	60.2	25%	0.247	34%	0.339	C	S	.	.	H	α-helix	trans	-63.1	-24.3	171.5	0	0	0	0	113.1	K93 V94 I98 T99 P100	K93-G96 PolarHBondContact O-N 3.34Å; V94-G96 VanDerWaalsContact C-N 3.3Å; V94-G96 PolarHBondContact O-N 3.25Å; G96-I98 PolarHBondContact O-N 3.44Å; G96-T99 PolarHBondContact O-N 2.81Å; G96-T99 PolarHBondContact O-OG1 3.03Å; G96-P100 WeakPolarHBondContact O-CD 3.38Å
97	A	88.8	Confident	94.1	Very high	70 Å²	70	61.2 Å²	61.2	58%	0.579	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-14.7	174.8	0	0	0	0	113.1	V94 L95 P100	V94-A97 VanDerWaalsContact O-CB 3.29Å; V94-A97 WeakPolarHBondContact O-CB 3.36Å; V94-A97 PolarHBondContact O-N 3.42Å; V94-A97 VanDerWaalsContact O-N 3.12Å; L95-A97 PolarHBondContact O-N 3.34Å; A97-P100 WeakPolarHBondContact O-CD 3.48Å
98	I	93.6	Very high	94.2	Very high	55 Å²	55	63.8 Å²	63.8	28%	0.282	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-28.9	176.5	-59.3	175.5	0	0	111	F79 L95 G96 P100 I101	F79-I98 HydrophobicContact CB-CG2 4.45Å; F79-I98 HydrophobicContact CD1-CG2 3.54Å; F79-I98 HydrophobicContact CE1-CG2 4.29Å; F79-I98 HydrophobicContact CG-CG2 4.46Å; L95-I98 HydrophobicContact CD2-CD1 4.04Å; L95-I98 WeakPolarHBondContact O-CB 3.38Å; L95-I98 PolarHBondContact O-N 3.02Å; G96-I98 PolarHBondContact O-N 3.44Å; I98-P100 VanDerWaalsContact C-CD 3.42Å; I98-P100 VanDerWaalsContact C-N 3.34Å; I98-I101 HydrophobicContact CG2-CD1 4.44Å; I98-I101 VanDerWaalsContact O-CB 3.26Å; I98-I101 WeakPolarHBondContact O-CB 3.45Å; I98-I101 PolarHBondContact O-N 3.49Å
99	T	95.1	Very high	94.2	Very high	15 Å²	15	63.7 Å²	63.7	9%	0.092	36%	0.357	C	S	.	.	H	α-helix	trans	-51	-42.1	-178	-49.3	0	0	0	114.2	F80 S83 L84 G96 I101 G102 G103	F80-T99 HydrophobicContact CD2-CG2 3.49Å; F80-T99 VanDerWaalsContact CD2-CG2 3.49Å; F80-T99 WeakPolarHBondContact CD2-O 3.39Å; F80-T99 HydrophobicContact CE2-CG2 3.58Å; F80-T99 HydrophobicContact CG-CG2 4.01Å; F80-T99 HydrophobicContact CZ-CG2 4.16Å; S83-T99 PolarHBondContact OG-OG1 3.41Å; L84-T99 HydrophobicContact CD1-CG2 4.18Å; L84-T99 HydrophobicContact CD2-CG2 3.81Å; L84-T99 WeakPolarHBondContact CD2-OG1 3.28Å; L84-T99 HydrophobicContact CG-CG2 3.89Å; G96-T99 PolarHBondContact O-N 2.81Å; G96-T99 PolarHBondContact O-OG1 3.03Å; T99-I101 PolarHBondContact O-N 3.4Å; T99-G102 PolarHBondContact O-N 3.15Å; T99-G102 VanDerWaalsContact O-N 3.09Å; T99-G103 PolarHBondContact O-N 3.01Å
100	P	97.3	Very high	94.3	Very high	83 Å²	83	63.7 Å²	63.7	54%	0.539	35%	0.349	S	S	.	.	H	α-helix	trans	-58	-32.9	176.5	-26.1	36.2	0	0	114.1	G96 A97 I98 G102 G103 V104	G96-P100 WeakPolarHBondContact O-CD 3.38Å; A97-P100 WeakPolarHBondContact O-CD 3.48Å; I98-P100 VanDerWaalsContact C-CD 3.42Å; I98-P100 VanDerWaalsContact C-N 3.34Å; P100-G102 VanDerWaalsContact C-N 3.32Å; P100-G102 PolarHBondContact O-N 3.31Å; P100-G103 PolarHBondContact O-N 3.45Å; P100-V104 WeakPolarHBondContact O-CG2 3.37Å; P100-V104 PolarHBondContact O-N 2.87Å
101	I	98	Very high	94.5	Very high	89 Å²	89	64.5 Å²	64.5	46%	0.456	35%	0.35	S	S	.	.	H	α-helix	trans	-60.9	-45.6	176.4	-58.3	174.2	0	0	109.6	I98 T99 G103 V104 L105	I98-I101 HydrophobicContact CG2-CD1 4.44Å; I98-I101 VanDerWaalsContact O-CB 3.26Å; I98-I101 WeakPolarHBondContact O-CB 3.45Å; I98-I101 PolarHBondContact O-N 3.49Å; T99-I101 PolarHBondContact O-N 3.4Å; I101-G103 VanDerWaalsContact C-N 3.31Å; I101-G103 PolarHBondContact O-N 2.84Å; I101-V104 PolarHBondContact O-N 3.43Å; I101-L105 HydrophobicContact CG2-CD1 4.25Å; I101-L105 WeakPolarHBondContact O-CG 3.41Å; I101-L105 PolarHBondContact O-N 2.9Å
102	G	98.4	Very high	94.8	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-61.3	-39	175.9	0	0	0	0	112.8	T99 P100 L105 F106	T99-G102 PolarHBondContact O-N 3.15Å; T99-G102 VanDerWaalsContact O-N 3.09Å; P100-G102 VanDerWaalsContact C-N 3.32Å; P100-G102 PolarHBondContact O-N 3.31Å; G102-L105 WeakPolarHBondContact O-CB 3.43Å; G102-L105 PolarHBondContact O-N 2.88Å; G102-F106 WeakPolarHBondContact O-CD2 3.46Å; G102-F106 WeakPolarHBondContact O-CG 3.33Å; G102-F106 PolarHBondContact O-N 3.28Å
103	G	98.5	Very high	95	Very high	18 Å²	18	58.6 Å²	58.6	19%	0.186	32%	0.322	C	S	.	.	H	α-helix	trans	-61.6	-43.9	174.2	0	0	0	0	112.9	T99 P100 I101 F106 I107	T99-G103 PolarHBondContact O-N 3.01Å; P100-G103 PolarHBondContact O-N 3.45Å; I101-G103 VanDerWaalsContact C-N 3.31Å; I101-G103 PolarHBondContact O-N 2.84Å; G103-F106 PolarHBondContact O-N 3.24Å; G103-I107 WeakPolarHBondContact O-CG1 3.31Å; G103-I107 PolarHBondContact O-N 3.15Å; G103-I107 VanDerWaalsContact O-N 3.11Å
104	V	98.6	Very high	95.5	Very high	77 Å²	77	55.1 Å²	55.1	47%	0.467	31%	0.31	S	S	.	.	H	α-helix	trans	-62.5	-42.8	174.7	172.1	0	0	0	111.1	P100 I101 F106 I107 I108	P100-V104 WeakPolarHBondContact O-CG2 3.37Å; P100-V104 PolarHBondContact O-N 2.87Å; I101-V104 PolarHBondContact O-N 3.43Å; V104-F106 VanDerWaalsContact C-N 3.32Å; V104-F106 PolarHBondContact O-N 2.82Å; V104-I107 PolarHBondContact O-N 3.09Å; V104-I108 HydrophobicContact CG1-CD1 3.68Å; V104-I108 HydrophobicContact CG1-CG1 4.23Å; V104-I108 WeakPolarHBondContact O-CG1 3.43Å; V104-I108 PolarHBondContact O-N 3.41Å
105	L	98.8	Very high	96	Very high	30 Å²	30	53.3 Å²	53.3	16%	0.157	30%	0.296	C	S	.	.	H	α-helix	trans	-60.8	-39.8	176.7	-69.9	170.3	0	0	112.3	L72 A75 F79 I101 G102 G109	L72-L105 HydrophobicContact CD2-CD2 3.73Å; A75-L105 HydrophobicContact CB-CD1 3.96Å; F79-L105 HydrophobicContact CB-CD1 4.47Å; F79-L105 HydrophobicContact CD2-CD1 3.54Å; F79-L105 HydrophobicContact CE2-CD1 4.19Å; F79-L105 HydrophobicContact CG-CD1 4.33Å; I101-L105 HydrophobicContact CG2-CD1 4.25Å; I101-L105 WeakPolarHBondContact O-CG 3.41Å; I101-L105 PolarHBondContact O-N 2.9Å; G102-L105 WeakPolarHBondContact O-CB 3.43Å; G102-L105 PolarHBondContact O-N 2.88Å; L105-G109 PolarHBondContact O-N 3.47Å
106	F	98.8	Very high	96.6	Very high	8 Å²	8	52.3 Å²	52.3	4%	0.035	29%	0.294	C	S	.	.	H	α-helix	trans	-60.3	-49.2	172.6	-66.6	-39.4	0	0	111.9	Y44 H48 I73 G76 I77 F80 G102 G103 V104 I108 G109 W110	Y44-F106 HydrophobicContact CD1-CD2 4.46Å; Y44-F106 HydrophobicContact CD1-CE2 4.09Å; H48-F106 HydrophobicContact CB-CD1 4.49Å; H48-F106 HydrophobicContact CB-CE1 3.81Å; H48-F106 HydrophobicContact CB-CZ 4.22Å; H48-F106 AromaticContact CD2-CD1 3.29Å; H48-F106 WeakPolarHBondContact CD2-CD1 3.2Å; H48-F106 AromaticContact CD2-CE1 3.47Å; H48-F106 VanDerWaalsContact CD2-CE1 3.47Å; H48-F106 WeakPolarHBondContact CD2-CE1 3.4Å; H48-F106 AromaticContact CD2-CG 3.78Å; H48-F106 AromaticContact CE1-CD2 3.73Å; H48-F106 AromaticContact CE1-CE2 3.8Å; H48-F106 AromaticContact CE1-CG 3.84Å; H48-F106 AromaticContact CE1-CZ 3.96Å; H48-F106 AromaticContact CG-CD1 3.74Å; H48-F106 AromaticContact CG-CE1 3.38Å; H48-F106 AromaticContact CG-CZ 3.72Å; H48-F106 AromaticContact ND1-CE1 3.78Å; H48-F106 AromaticContact ND1-CE2 3.88Å; H48-F106 AromaticContact ND1-CZ 3.63Å; H48-F106 AromaticContact NE2-CD1 3.5Å; H48-F106 WeakPolarHBondContact NE2-CD1 3.09Å; H48-F106 AromaticContact NE2-CD2 3.83Å; H48-F106 AromaticContact NE2-CE1 3.92Å; H48-F106 AromaticContact NE2-CG 3.44Å; H48-F106 WeakPolarHBondContact NE2-CG 3.27Å; I73-F106 WeakPolarHBondContact O-CE1 3.45Å; G76-F106 VanDerWaalsContact CA-CE1 3.48Å; G76-F106 WeakPolarHBondContact O-CZ 3.09Å; I77-F106 HydrophobicContact CG1-CE1 3.9Å; I77-F106 HydrophobicContact CG1-CZ 4.15Å; F80-F106 HydrophobicContact CB-CD2 4.44Å; F80-F106 HydrophobicContact CB-CE2 3.52Å; F80-F106 HydrophobicContact CB-CZ 3.95Å; F80-F106 HydrophobicContact CD1-CE2 4.03Å; F80-F106 HydrophobicContact CD2-CE2 4.14Å; F80-F106 HydrophobicContact CG-CD2 4.46Å; F80-F106 AromaticContact CG-CE2 3.64Å; F80-F106 HydrophobicContact CG-CE2 3.64Å; F80-F106 HydrophobicContact CG-CZ 4.45Å; G102-F106 WeakPolarHBondContact O-CD2 3.46Å; G102-F106 WeakPolarHBondContact O-CG 3.33Å; G102-F106 PolarHBondContact O-N 3.28Å; G103-F106 PolarHBondContact O-N 3.24Å; V104-F106 VanDerWaalsContact C-N 3.32Å; V104-F106 PolarHBondContact O-N 2.82Å; F106-I108 PolarHBondContact O-N 3.33Å; F106-G109 PolarHBondContact O-N 2.92Å; F106-G109 VanDerWaalsContact O-N 3.17Å; F106-W110 PolarHBondContact O-N 2.86Å
107	I	98.8	Very high	97.3	Very high	107 Å²	107	54.4 Å²	54.4	55%	0.549	30%	0.302	S	S	.	.	H	α-helix	trans	-58.2	-49.8	179.7	-67.2	166.4	0	0	110.6	G103 V104 G109 W110 I111	G103-I107 WeakPolarHBondContact O-CG1 3.31Å; G103-I107 PolarHBondContact O-N 3.15Å; G103-I107 VanDerWaalsContact O-N 3.11Å; V104-I107 PolarHBondContact O-N 3.09Å; I107-G109 VanDerWaalsContact C-N 3.3Å; I107-G109 PolarHBondContact O-N 3.21Å; I107-W110 PolarHBondContact O-N 3.09Å; I107-I111 HydrophobicContact CG2-CD1 3.85Å; I107-I111 WeakPolarHBondContact O-CG1 3.39Å; I107-I111 PolarHBondContact O-N 3.26Å
108	I	98.8	Very high	97.6	Very high	73 Å²	73	58.6 Å²	58.6	37%	0.374	31%	0.307	S	S	.	.	H	α-helix	trans	-64.2	-38.7	178.6	-59.1	172.2	0	0	110.2	L72 V104 F106 W110 I111 M112	L72-I108 HydrophobicContact CD1-CB 4.29Å; L72-I108 HydrophobicContact CD1-CG2 3.67Å; L72-I108 HydrophobicContact CD2-CG2 4.49Å; V104-I108 HydrophobicContact CG1-CD1 3.68Å; V104-I108 HydrophobicContact CG1-CG1 4.23Å; V104-I108 WeakPolarHBondContact O-CG1 3.43Å; V104-I108 PolarHBondContact O-N 3.41Å; F106-I108 PolarHBondContact O-N 3.33Å; I108-W110 PolarHBondContact O-N 3.15Å; I108-I111 PolarHBondContact O-N 3.46Å; I108-M112 HydrophobicContact CG2-CG 4.29Å; I108-M112 WeakPolarHBondContact O-CB 3.33Å; I108-M112 VanDerWaalsContact O-CG 3.29Å; I108-M112 WeakPolarHBondContact O-CG 3.33Å; I108-M112 PolarHBondContact O-N 3.25Å
109	G	98.8	Very high	97.3	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-58.1	-45.7	175.8	0	0	0	0	112.8	A69 L105 F106 I107 M112 L113	A69-G109 VanDerWaalsContact CB-O 3.32Å; A69-G109 WeakPolarHBondContact CB-O 3.27Å; L105-G109 PolarHBondContact O-N 3.47Å; F106-G109 PolarHBondContact O-N 2.92Å; F106-G109 VanDerWaalsContact O-N 3.17Å; I107-G109 VanDerWaalsContact C-N 3.3Å; I107-G109 PolarHBondContact O-N 3.21Å; G109-M112 PolarHBondContact O-N 3.13Å; G109-L113 PolarHBondContact O-N 2.7Å
110	W	98.7	Very high	96.7	Very high	107 Å²	107	67.8 Å²	67.8	41%	0.405	34%	0.344	S	S	.	.	H	α-helix	trans	-66.2	-41.5	174.7	-71.6	115.6	0	0	112.5	H48 A51 I73 F106 I107 I108 M112 L113 I114	H48-W110 AromaticContact CD2-NE1 3.85Å; H48-W110 AromaticContact NE2-NE1 3.45Å; H48-W110 PolarHBondContact NE2-NE1 3.23Å; A51-W110 HydrophobicContact CB-CH2 3.64Å; A51-W110 HydrophobicContact CB-CZ2 3.74Å; I73-W110 HydrophobicContact CD1-CD2 4.32Å; I73-W110 HydrophobicContact CD1-CZ2 4.24Å; F106-W110 PolarHBondContact O-N 2.86Å; I107-W110 PolarHBondContact O-N 3.09Å; I108-W110 PolarHBondContact O-N 3.15Å; W110-M112 VanDerWaalsContact C-N 3.3Å; W110-M112 PolarHBondContact O-N 3.13Å; W110-L113 HydrophobicContact CE3-CD2 3.84Å; W110-L113 HydrophobicContact CZ3-CD2 3.69Å; W110-L113 WeakPolarHBondContact O-CB 3.42Å; W110-L113 PolarHBondContact O-N 3.37Å; W110-L113 VanDerWaalsContact O-N 3.16Å; W110-I114 WeakPolarHBondContact O-CG1 3.41Å; W110-I114 PolarHBondContact O-N 2.9Å
111	I	98.7	Very high	95.6	Very high	83 Å²	83	68 Å²	68	43%	0.426	35%	0.353	S	S	.	.	H	α-helix	trans	-58.9	-42.7	173.5	-69.8	167.6	0	0	110.8	I107 I108 L113 I114 I115	I107-I111 HydrophobicContact CG2-CD1 3.85Å; I107-I111 WeakPolarHBondContact O-CG1 3.39Å; I107-I111 PolarHBondContact O-N 3.26Å; I108-I111 PolarHBondContact O-N 3.46Å; I111-L113 VanDerWaalsContact C-N 3.31Å; I111-L113 PolarHBondContact O-N 3.31Å; I111-I114 WeakPolarHBondContact O-CB 3.27Å; I111-I114 PolarHBondContact O-N 3.32Å; I111-I115 HydrophobicContact CG2-CD1 3.75Å; I111-I115 HydrophobicContact CG2-CG1 4.37Å; I111-I115 WeakPolarHBondContact O-CG1 3.39Å; I111-I115 PolarHBondContact O-N 2.85Å
112	M	98	Very high	93.6	Very high	59 Å²	59	69.7 Å²	69.7	29%	0.291	39%	0.392	S	S	.	.	H	α-helix	trans	-64.8	-34.8	177.5	-72.3	-56.5	-65.7	0	112.4	W68 A69 L72 I108 G109 W110 I115 A116	W68-M112 HydrophobicContact CB-CE 3.76Å; W68-M112 HydrophobicContact CB-CG 4.47Å; W68-M112 HydrophobicContact CG-CE 4.2Å; A69-M112 HydrophobicContact CB-CB 4.17Å; L72-M112 HydrophobicContact CD1-CB 4.31Å; L72-M112 HydrophobicContact CD1-CG 3.64Å; I108-M112 HydrophobicContact CG2-CG 4.29Å; I108-M112 WeakPolarHBondContact O-CB 3.33Å; I108-M112 VanDerWaalsContact O-CG 3.29Å; I108-M112 WeakPolarHBondContact O-CG 3.33Å; I108-M112 PolarHBondContact O-N 3.25Å; G109-M112 PolarHBondContact O-N 3.13Å; W110-M112 VanDerWaalsContact C-N 3.3Å; W110-M112 PolarHBondContact O-N 3.13Å; M112-I115 HydrophobicContact SD-CD1 4.31Å; M112-A116 VanDerWaalsContact O-CB 3.25Å; M112-A116 WeakPolarHBondContact O-CB 3.44Å; M112-A116 PolarHBondContact O-N 3.21Å
113	L	98.1	Very high	93.3	Very high	23 Å²	23	73.2 Å²	73.2	12%	0.12	41%	0.411	C	S	.	.	H	α-helix	trans	-65.5	-42.9	173.5	-175.7	59.8	0	0	111.3	V66 A69 G109 W110 I111 A116 T117	V66-L113 HydrophobicContact CB-CD1 4.2Å; V66-L113 HydrophobicContact CG1-CD1 3.52Å; A69-L113 HydrophobicContact CB-CB 3.89Å; G109-L113 PolarHBondContact O-N 2.7Å; W110-L113 HydrophobicContact CE3-CD2 3.84Å; W110-L113 HydrophobicContact CZ3-CD2 3.69Å; W110-L113 WeakPolarHBondContact O-CB 3.42Å; W110-L113 PolarHBondContact O-N 3.37Å; W110-L113 VanDerWaalsContact O-N 3.16Å; I111-L113 VanDerWaalsContact C-N 3.31Å; I111-L113 PolarHBondContact O-N 3.31Å; L113-A116 PolarHBondContact O-N 2.94Å; L113-T117 WeakPolarHBondContact O-CB 3.19Å; L113-T117 PolarHBondContact O-N 3.27Å; L113-T117 PolarHBondContact O-OG1 3.29Å
114	I	98.1	Very high	93	Very high	95 Å²	95	76.1 Å²	76.1	49%	0.487	42%	0.423	S	S	.	.	H	α-helix	trans	-59.3	-51.2	175.4	-67.7	167.2	0	0	110.2	W110 I111 A116 T117 F118	W110-I114 WeakPolarHBondContact O-CG1 3.41Å; W110-I114 PolarHBondContact O-N 2.9Å; I111-I114 WeakPolarHBondContact O-CB 3.27Å; I111-I114 PolarHBondContact O-N 3.32Å; I114-A116 PolarHBondContact O-N 3.25Å; I114-T117 PolarHBondContact O-N 3.45Å; I114-F118 HydrophobicContact CG2-CD2 3.63Å; I114-F118 HydrophobicContact CG2-CE2 3.47Å; I114-F118 VanDerWaalsContact CG2-CE2 3.47Å; I114-F118 VanDerWaalsContact O-CD2 3.28Å; I114-F118 WeakPolarHBondContact O-CD2 3.44Å; I114-F118 PolarHBondContact O-N 3.23Å
115	I	97.7	Very high	92.7	Very high	68 Å²	68	76 Å²	76	35%	0.349	42%	0.421	S	S	.	.	H	α-helix	trans	-60.6	-44.5	179.3	-67.8	168	0	0	111.4	I111 M112 T117 F118 K119	I111-I115 HydrophobicContact CG2-CD1 3.75Å; I111-I115 HydrophobicContact CG2-CG1 4.37Å; I111-I115 WeakPolarHBondContact O-CG1 3.39Å; I111-I115 PolarHBondContact O-N 2.85Å; M112-I115 HydrophobicContact SD-CD1 4.31Å; I115-T117 VanDerWaalsContact C-N 3.28Å; I115-T117 PolarHBondContact O-N 3.18Å; I115-F118 PolarHBondContact O-N 2.75Å; I115-K119 HydrophobicContact CG2-CD 4.11Å; I115-K119 HydrophobicContact CG2-CG 4.42Å; I115-K119 WeakPolarHBondContact O-CG 3.45Å; I115-K119 PolarHBondContact O-N 2.93Å
116	A	96.2	Very high	92.4	Very high	15 Å²	15	78.7 Å²	78.7	12%	0.124	44%	0.436	C	S	.	.	H	α-helix	trans	-60.3	-41.5	179.2	0	0	0	0	111.5	I64 N65 V66 M112 L113 I114 F120	I64-A116 HydrophobicContact CG2-CB 3.85Å; N65-A116 VanDerWaalsContact O-CB 3.27Å; N65-A116 WeakPolarHBondContact O-CB 3.47Å; V66-A116 HydrophobicContact CG1-CB 4.4Å; M112-A116 VanDerWaalsContact O-CB 3.25Å; M112-A116 WeakPolarHBondContact O-CB 3.44Å; M112-A116 PolarHBondContact O-N 3.21Å; L113-A116 PolarHBondContact O-N 2.94Å; I114-A116 PolarHBondContact O-N 3.25Å; A116-F120 PolarHBondContact O-N 3.49Å
117	T	95.8	Very high	92	Very high	68 Å²	68	83.1 Å²	83.1	42%	0.417	46%	0.461	S	S	.	.	H	α-helix	trans	-66.4	-45.9	179.1	-54.9	0	0	0	111.4	L113 I114 I115 K119 F120 A121	L113-T117 WeakPolarHBondContact O-CB 3.19Å; L113-T117 PolarHBondContact O-N 3.27Å; L113-T117 PolarHBondContact O-OG1 3.29Å; I114-T117 PolarHBondContact O-N 3.45Å; I115-T117 VanDerWaalsContact C-N 3.28Å; I115-T117 PolarHBondContact O-N 3.18Å; T117-K119 PolarHBondContact O-N 2.92Å; T117-F120 PolarHBondContact O-N 3.39Å; T117-A121 PolarHBondContact O-N 3.14Å
118	F	95.1	Very high	91.5	Very high	158 Å²	158	81.5 Å²	81.5	69%	0.693	46%	0.455	S	S	*	.	H	α-helix	trans	-64.4	-38	177.6	-80.1	-61.3	0	0	113.4	I114 I115 F120 A121	I114-F118 HydrophobicContact CG2-CD2 3.63Å; I114-F118 HydrophobicContact CG2-CE2 3.47Å; I114-F118 VanDerWaalsContact CG2-CE2 3.47Å; I114-F118 VanDerWaalsContact O-CD2 3.28Å; I114-F118 WeakPolarHBondContact O-CD2 3.44Å; I114-F118 PolarHBondContact O-N 3.23Å; I115-F118 PolarHBondContact O-N 2.75Å; F118-F120 PolarHBondContact O-N 3.09Å; F118-A121 PolarHBondContact O-N 3.01Å
119	K	87.9	Confident	91	Very high	165 Å²	165	82.1 Å²	82.1	72%	0.717	46%	0.461	S	S	*	.	H	α-helix	trans	-65.9	-25.4	177.3	-77	-177.1	177.7	-175.9	113.5	I115 T117	I115-K119 HydrophobicContact CG2-CD 4.11Å; I115-K119 HydrophobicContact CG2-CG 4.42Å; I115-K119 WeakPolarHBondContact O-CG 3.45Å; I115-K119 PolarHBondContact O-N 2.93Å; T117-K119 PolarHBondContact O-N 2.92Å
120	F	81.7	Confident	90.4	Very high	98 Å²	98	88.5 Å²	88.5	43%	0.43	50%	0.497	S	S	.	.	H	α-helix	trans	-84.9	-23	178.8	179.5	-107.2	0	0	113.2	S63 I64 A116 T117 F118 G122	S63-F120 WeakPolarHBondContact OG-CE2 2.93Å; S63-F120 WeakPolarHBondContact OG-CZ 3.38Å; I64-F120 HydrophobicContact CB-CB 4.49Å; I64-F120 HydrophobicContact CB-CG 4.48Å; I64-F120 HydrophobicContact CD1-CB 4.49Å; I64-F120 HydrophobicContact CD1-CD1 3.82Å; I64-F120 HydrophobicContact CD1-CE1 4.45Å; I64-F120 HydrophobicContact CD1-CG 4.31Å; I64-F120 HydrophobicContact CG1-CB 3.71Å; I64-F120 HydrophobicContact CG1-CD1 3.39Å; I64-F120 HydrophobicContact CG1-CD2 4.15Å; I64-F120 HydrophobicContact CG1-CE1 4.03Å; I64-F120 HydrophobicContact CG1-CG 3.44Å; I64-F120 VanDerWaalsContact CG1-CG 3.44Å; A116-F120 PolarHBondContact O-N 3.49Å; T117-F120 PolarHBondContact O-N 3.39Å; F118-F120 PolarHBondContact O-N 3.09Å; F120-G122 PolarHBondContact O-N 2.84Å; F120-G122 VanDerWaalsContact O-N 3.13Å
121	A	74.6	Confident	89.7	Confident	88 Å²	88	86.9 Å²	86.9	73%	0.727	50%	0.504	S	S	*	.			trans	-74.1	6.9	179.7	0	0	0	0	114.1	T117 F118	T117-A121 PolarHBondContact O-N 3.14Å; F118-A121 PolarHBondContact O-N 3.01Å
122	G	54.6	Low	88.9	Confident	123 Å²	123	87.3 Å²	87.3	100%	1.268	51%	0.511	S	S	*	.			trans	-121.5	0	174	0	0	0	0	111.2	F120	F120-G122 PolarHBondContact O-N 2.84Å; F120-G122 VanDerWaalsContact O-N 3.13Å

Retrieved 122 of 122 residues in 106.6 ms (Link to these results)

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